Program PWSCF v.5.1.1 starts on 18Jul2015 at 1: 9:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BiI3.save/ 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 52 52 15 1787 1787 279 Max 53 53 16 1790 1790 281 Sum 1685 1685 487 57239 57239 8961 bravais-lattice index = 14 lattice parameter (alat) = 15.4787 a.u. unit-cell volume = 1068.3041 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 216.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.478746 celldm(2)= 0.411305 celldm(3)= 0.729434 celldm(4)= 0.279497 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.411305 0.000000 ) a(3) = ( 0.000000 0.203875 0.700364 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 2.431285 -0.707743 ) b(3) = ( 0.000000 0.000000 1.427830 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Bi 5.00 208.98040 Bi( 1.00) I 7.00 126.90450 I( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0254970), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0509939), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0764909), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.1019878), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.1274848), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.1529818), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.1784787), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.2039757), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.2294727), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.2549696), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.2804666), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.3059635), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.3314605), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.3569575), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.3824544), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.4079514), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.4334484), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.4589453), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.4844423), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.5099392), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.5354362), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.5609332), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.5864301), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.6119271), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.6374241), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.6629210), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.6884180), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.7139149), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.7139149), wk = 0.0036630 k( 31) = ( 0.0000000 0.0258334 0.7139150), wk = 0.0036630 k( 32) = ( 0.0000000 0.0516667 0.7139149), wk = 0.0036630 k( 33) = ( 0.0000000 0.0775001 0.7139150), wk = 0.0036630 k( 34) = ( 0.0000000 0.1033334 0.7139149), wk = 0.0036630 k( 35) = ( 0.0000000 0.1291668 0.7139149), wk = 0.0036630 k( 36) = ( 0.0000000 0.1550002 0.7139149), wk = 0.0036630 k( 37) = ( 0.0000000 0.1808335 0.7139150), wk = 0.0036630 k( 38) = ( 0.0000000 0.2066669 0.7139149), wk = 0.0036630 k( 39) = ( 0.0000000 0.2325003 0.7139150), wk = 0.0036630 k( 40) = ( 0.0000000 0.2583336 0.7139149), wk = 0.0036630 k( 41) = ( 0.0000000 0.2841670 0.7139149), wk = 0.0036630 k( 42) = ( 0.0000000 0.3100003 0.7139149), wk = 0.0036630 k( 43) = ( 0.0000000 0.3358337 0.7139149), wk = 0.0036630 k( 44) = ( 0.0000000 0.3616671 0.7139149), wk = 0.0036630 k( 45) = ( 0.0000000 0.3875004 0.7139149), wk = 0.0036630 k( 46) = ( 0.0000000 0.4133338 0.7139149), wk = 0.0036630 k( 47) = ( 0.0000000 0.4391672 0.7139149), wk = 0.0036630 k( 48) = ( 0.0000000 0.4650005 0.7139149), wk = 0.0036630 k( 49) = ( 0.0000000 0.4908339 0.7139149), wk = 0.0036630 k( 50) = ( 0.0000000 0.5166672 0.7139149), wk = 0.0036630 k( 51) = ( 0.0000000 0.5425006 0.7139149), wk = 0.0036630 k( 52) = ( 0.0000000 0.5683340 0.7139149), wk = 0.0036630 k( 53) = ( 0.0000000 0.5941673 0.7139149), wk = 0.0036630 k( 54) = ( 0.0000000 0.6200007 0.7139149), wk = 0.0036630 k( 55) = ( 0.0000000 0.6458341 0.7139149), wk = 0.0036630 k( 56) = ( 0.0000000 0.6716674 0.7139149), wk = 0.0036630 k( 57) = ( 0.0000000 0.6975008 0.7139149), wk = 0.0036630 k( 58) = ( 0.0000000 0.7233342 0.7139149), wk = 0.0036630 k( 59) = ( 0.0000000 0.7491675 0.7139149), wk = 0.0036630 k( 60) = ( 0.0000000 0.7750009 0.7139149), wk = 0.0036630 k( 61) = ( 0.0000000 0.8008342 0.7139149), wk = 0.0036630 k( 62) = ( 0.0000000 0.8266676 0.7139150), wk = 0.0036630 k( 63) = ( 0.0000000 0.8525010 0.7139149), wk = 0.0036630 k( 64) = ( 0.0000000 0.8783343 0.7139150), wk = 0.0036630 k( 65) = ( 0.0000000 0.9041677 0.7139149), wk = 0.0036630 k( 66) = ( 0.0000000 0.9300011 0.7139149), wk = 0.0036630 k( 67) = ( 0.0000000 0.9558344 0.7139149), wk = 0.0036630 k( 68) = ( 0.0000000 0.9816678 0.7139150), wk = 0.0036630 k( 69) = ( 0.0000000 1.0075011 0.7139149), wk = 0.0036630 k( 70) = ( 0.0000000 1.0333345 0.7139149), wk = 0.0036630 k( 71) = ( 0.0000000 1.0591679 0.7139149), wk = 0.0036630 k( 72) = ( 0.0000000 1.0850012 0.7139149), wk = 0.0036630 k( 73) = ( 0.0000000 1.1108346 0.7139149), wk = 0.0036630 k( 74) = ( 0.0000000 1.1108346 0.7139149), wk = 0.0036630 k( 75) = ( 0.0000000 1.1178218 0.6903235), wk = 0.0036630 k( 76) = ( 0.0000000 1.1248090 0.6667321), wk = 0.0036630 k( 77) = ( 0.0000000 1.1317962 0.6431407), wk = 0.0036630 k( 78) = ( 0.0000000 1.1387834 0.6195492), wk = 0.0036630 k( 79) = ( 0.0000000 1.1457706 0.5959578), wk = 0.0036630 k( 80) = ( 0.0000000 1.1527578 0.5723664), wk = 0.0036630 k( 81) = ( 0.0000000 1.1597450 0.5487750), wk = 0.0036630 k( 82) = ( 0.0000000 1.1667322 0.5251836), wk = 0.0036630 k( 83) = ( 0.0000000 1.1737194 0.5015921), wk = 0.0036630 k( 84) = ( 0.0000000 1.1807066 0.4780007), wk = 0.0036630 k( 85) = ( 0.0000000 1.1876938 0.4544093), wk = 0.0036630 k( 86) = ( 0.0000000 1.1946810 0.4308179), wk = 0.0036630 k( 87) = ( 0.0000000 1.2016682 0.4072264), wk = 0.0036630 k( 88) = ( 0.0000000 1.2086554 0.3836350), wk = 0.0036630 k( 89) = ( 0.0000000 1.2156426 0.3600436), wk = 0.0036630 k( 90) = ( 0.0000000 1.2156426 0.3600436), wk = 0.0036630 k( 91) = ( 0.0250000 1.2156426 0.3600436), wk = 0.0036630 k( 92) = ( 0.0500000 1.2156426 0.3600436), wk = 0.0036630 k( 93) = ( 0.0750000 1.2156426 0.3600436), wk = 0.0036630 k( 94) = ( 0.1000000 1.2156426 0.3600436), wk = 0.0036630 k( 95) = ( 0.1250000 1.2156426 0.3600436), wk = 0.0036630 k( 96) = ( 0.1500000 1.2156426 0.3600436), wk = 0.0036630 k( 97) = ( 0.1750000 1.2156426 0.3600436), wk = 0.0036630 k( 98) = ( 0.2000000 1.2156426 0.3600436), wk = 0.0036630 k( 99) = ( 0.2250000 1.2156426 0.3600436), wk = 0.0036630 k( 100) = ( 0.2500000 1.2156426 0.3600436), wk = 0.0036630 k( 101) = ( 0.2750000 1.2156426 0.3600436), wk = 0.0036630 k( 102) = ( 0.3000000 1.2156426 0.3600436), wk = 0.0036630 k( 103) = ( 0.3250000 1.2156426 0.3600436), wk = 0.0036630 k( 104) = ( 0.3500000 1.2156426 0.3600436), wk = 0.0036630 k( 105) = ( 0.3750000 1.2156426 0.3600436), wk = 0.0036630 k( 106) = ( 0.4000000 1.2156426 0.3600436), wk = 0.0036630 k( 107) = ( 0.4250000 1.2156426 0.3600436), wk = 0.0036630 k( 108) = ( 0.4500000 1.2156426 0.3600436), wk = 0.0036630 k( 109) = ( 0.4750000 1.2156426 0.3600436), wk = 0.0036630 k( 110) = ( 0.5000000 1.2156426 0.3600436), wk = 0.0036630 k( 111) = ( 0.5000000 1.2156426 0.3600436), wk = 0.0036630 k( 112) = ( 0.5000000 1.2226298 0.3364522), wk = 0.0036630 k( 113) = ( 0.5000000 1.2296170 0.3128607), wk = 0.0036630 k( 114) = ( 0.5000000 1.2366042 0.2892693), wk = 0.0036630 k( 115) = ( 0.5000000 1.2435914 0.2656779), wk = 0.0036630 k( 116) = ( 0.5000000 1.2505786 0.2420865), wk = 0.0036630 k( 117) = ( 0.5000000 1.2575658 0.2184951), wk = 0.0036630 k( 118) = ( 0.5000000 1.2645530 0.1949036), wk = 0.0036630 k( 119) = ( 0.5000000 1.2715402 0.1713122), wk = 0.0036630 k( 120) = ( 0.5000000 1.2785275 0.1477208), wk = 0.0036630 k( 121) = ( 0.5000000 1.2855146 0.1241294), wk = 0.0036630 k( 122) = ( 0.5000000 1.2925018 0.1005379), wk = 0.0036630 k( 123) = ( 0.5000000 1.2994890 0.0769465), wk = 0.0036630 k( 124) = ( 0.5000000 1.3064762 0.0533551), wk = 0.0036630 k( 125) = ( 0.5000000 1.3134635 0.0297637), wk = 0.0036630 k( 126) = ( 0.5000000 1.3204507 0.0061722), wk = 0.0036630 k( 127) = ( 0.5000000 1.3204507 0.0061722), wk = 0.0036630 k( 128) = ( 0.5000000 1.3134635 -0.0178307), wk = 0.0036630 k( 129) = ( 0.5000000 1.3064762 -0.0418336), wk = 0.0036630 k( 130) = ( 0.5000000 1.2994890 -0.0658365), wk = 0.0036630 k( 131) = ( 0.5000000 1.2925018 -0.0898394), wk = 0.0036630 k( 132) = ( 0.5000000 1.2855146 -0.1138423), wk = 0.0036630 k( 133) = ( 0.5000000 1.2785275 -0.1378452), wk = 0.0036630 k( 134) = ( 0.5000000 1.2715402 -0.1618481), wk = 0.0036630 k( 135) = ( 0.5000000 1.2645530 -0.1858510), wk = 0.0036630 k( 136) = ( 0.5000000 1.2575658 -0.2098539), wk = 0.0036630 k( 137) = ( 0.5000000 1.2505786 -0.2338568), wk = 0.0036630 k( 138) = ( 0.5000000 1.2435914 -0.2578597), wk = 0.0036630 k( 139) = ( 0.5000000 1.2366042 -0.2818626), wk = 0.0036630 k( 140) = ( 0.5000000 1.2296170 -0.3058655), wk = 0.0036630 k( 141) = ( 0.5000000 1.2226298 -0.3298684), wk = 0.0036630 k( 142) = ( 0.5000000 1.2156426 -0.3538714), wk = 0.0036630 k( 143) = ( 0.5000000 1.2156426 -0.3538714), wk = 0.0036630 k( 144) = ( 0.4750000 1.2156426 -0.3538714), wk = 0.0036630 k( 145) = ( 0.4500000 1.2156426 -0.3538714), wk = 0.0036630 k( 146) = ( 0.4250000 1.2156426 -0.3538714), wk = 0.0036630 k( 147) = ( 0.4000000 1.2156426 -0.3538714), wk = 0.0036630 k( 148) = ( 0.3750000 1.2156426 -0.3538714), wk = 0.0036630 k( 149) = ( 0.3500000 1.2156426 -0.3538714), wk = 0.0036630 k( 150) = ( 0.3250000 1.2156426 -0.3538714), wk = 0.0036630 k( 151) = ( 0.3000000 1.2156426 -0.3538714), wk = 0.0036630 k( 152) = ( 0.2750000 1.2156426 -0.3538714), wk = 0.0036630 k( 153) = ( 0.2500000 1.2156426 -0.3538714), wk = 0.0036630 k( 154) = ( 0.2250000 1.2156426 -0.3538714), wk = 0.0036630 k( 155) = ( 0.2000000 1.2156426 -0.3538714), wk = 0.0036630 k( 156) = ( 0.1750000 1.2156426 -0.3538714), wk = 0.0036630 k( 157) = ( 0.1500000 1.2156426 -0.3538714), wk = 0.0036630 k( 158) = ( 0.1250000 1.2156426 -0.3538714), wk = 0.0036630 k( 159) = ( 0.1000000 1.2156426 -0.3538714), wk = 0.0036630 k( 160) = ( 0.0750000 1.2156426 -0.3538714), wk = 0.0036630 k( 161) = ( 0.0500000 1.2156426 -0.3538714), wk = 0.0036630 k( 162) = ( 0.0250000 1.2156426 -0.3538714), wk = 0.0036630 k( 163) = ( 0.0000000 1.2156426 -0.3538714), wk = 0.0036630 k( 164) = ( 0.0000000 1.2156426 -0.3538714), wk = 0.0036630 k( 165) = ( 0.0000000 1.2226298 -0.3298684), wk = 0.0036630 k( 166) = ( 0.0000000 1.2296170 -0.3058655), wk = 0.0036630 k( 167) = ( 0.0000000 1.2366042 -0.2818626), wk = 0.0036630 k( 168) = ( 0.0000000 1.2435914 -0.2578597), wk = 0.0036630 k( 169) = ( 0.0000000 1.2505786 -0.2338568), wk = 0.0036630 k( 170) = ( 0.0000000 1.2575658 -0.2098539), wk = 0.0036630 k( 171) = ( 0.0000000 1.2645530 -0.1858510), wk = 0.0036630 k( 172) = ( 0.0000000 1.2715402 -0.1618481), wk = 0.0036630 k( 173) = ( 0.0000000 1.2785275 -0.1378452), wk = 0.0036630 k( 174) = ( 0.0000000 1.2855146 -0.1138423), wk = 0.0036630 k( 175) = ( 0.0000000 1.2925018 -0.0898394), wk = 0.0036630 k( 176) = ( 0.0000000 1.2994890 -0.0658365), wk = 0.0036630 k( 177) = ( 0.0000000 1.3064762 -0.0418336), wk = 0.0036630 k( 178) = ( 0.0000000 1.3134635 -0.0178307), wk = 0.0036630 k( 179) = ( 0.0000000 1.3204507 0.0061722), wk = 0.0036630 k( 180) = ( 0.5000000 1.1108346 0.7139149), wk = 0.0036630 k( 181) = ( 0.5000000 1.0850012 0.7139149), wk = 0.0036630 k( 182) = ( 0.5000000 1.0591679 0.7139149), wk = 0.0036630 k( 183) = ( 0.5000000 1.0333345 0.7139149), wk = 0.0036630 k( 184) = ( 0.5000000 1.0075011 0.7139149), wk = 0.0036630 k( 185) = ( 0.5000000 0.9816678 0.7139150), wk = 0.0036630 k( 186) = ( 0.5000000 0.9558344 0.7139149), wk = 0.0036630 k( 187) = ( 0.5000000 0.9300011 0.7139149), wk = 0.0036630 k( 188) = ( 0.5000000 0.9041677 0.7139149), wk = 0.0036630 k( 189) = ( 0.5000000 0.8783343 0.7139150), wk = 0.0036630 k( 190) = ( 0.5000000 0.8525010 0.7139149), wk = 0.0036630 k( 191) = ( 0.5000000 0.8266676 0.7139150), wk = 0.0036630 k( 192) = ( 0.5000000 0.8008342 0.7139149), wk = 0.0036630 k( 193) = ( 0.5000000 0.7750009 0.7139149), wk = 0.0036630 k( 194) = ( 0.5000000 0.7491675 0.7139149), wk = 0.0036630 k( 195) = ( 0.5000000 0.7233342 0.7139149), wk = 0.0036630 k( 196) = ( 0.5000000 0.6975008 0.7139149), wk = 0.0036630 k( 197) = ( 0.5000000 0.6716674 0.7139149), wk = 0.0036630 k( 198) = ( 0.5000000 0.6458341 0.7139149), wk = 0.0036630 k( 199) = ( 0.5000000 0.6200007 0.7139149), wk = 0.0036630 k( 200) = ( 0.5000000 0.5941673 0.7139149), wk = 0.0036630 k( 201) = ( 0.5000000 0.5683340 0.7139149), wk = 0.0036630 k( 202) = ( 0.5000000 0.5425006 0.7139149), wk = 0.0036630 k( 203) = ( 0.5000000 0.5166672 0.7139149), wk = 0.0036630 k( 204) = ( 0.5000000 0.4908339 0.7139149), wk = 0.0036630 k( 205) = ( 0.5000000 0.4650005 0.7139149), wk = 0.0036630 k( 206) = ( 0.5000000 0.4391672 0.7139149), wk = 0.0036630 k( 207) = ( 0.5000000 0.4133338 0.7139149), wk = 0.0036630 k( 208) = ( 0.5000000 0.3875004 0.7139149), wk = 0.0036630 k( 209) = ( 0.5000000 0.3616671 0.7139149), wk = 0.0036630 k( 210) = ( 0.5000000 0.3358337 0.7139149), wk = 0.0036630 k( 211) = ( 0.5000000 0.3100003 0.7139149), wk = 0.0036630 k( 212) = ( 0.5000000 0.2841670 0.7139149), wk = 0.0036630 k( 213) = ( 0.5000000 0.2583336 0.7139149), wk = 0.0036630 k( 214) = ( 0.5000000 0.2325003 0.7139150), wk = 0.0036630 k( 215) = ( 0.5000000 0.2066669 0.7139149), wk = 0.0036630 k( 216) = ( 0.5000000 0.1808335 0.7139150), wk = 0.0036630 k( 217) = ( 0.5000000 0.1550002 0.7139149), wk = 0.0036630 k( 218) = ( 0.5000000 0.1291668 0.7139149), wk = 0.0036630 k( 219) = ( 0.5000000 0.1033334 0.7139149), wk = 0.0036630 k( 220) = ( 0.5000000 0.0775001 0.7139150), wk = 0.0036630 k( 221) = ( 0.5000000 0.0516667 0.7139149), wk = 0.0036630 k( 222) = ( 0.5000000 0.0258334 0.7139150), wk = 0.0036630 k( 223) = ( 0.5000000 -0.0000000 0.7139149), wk = 0.0036630 k( 224) = ( 0.5000000 -0.0000000 0.7139149), wk = 0.0036630 k( 225) = ( 0.5000000 -0.0000000 0.6884180), wk = 0.0036630 k( 226) = ( 0.5000000 -0.0000000 0.6629210), wk = 0.0036630 k( 227) = ( 0.5000000 -0.0000000 0.6374241), wk = 0.0036630 k( 228) = ( 0.5000000 -0.0000000 0.6119271), wk = 0.0036630 k( 229) = ( 0.5000000 -0.0000000 0.5864301), wk = 0.0036630 k( 230) = ( 0.5000000 -0.0000000 0.5609332), wk = 0.0036630 k( 231) = ( 0.5000000 -0.0000000 0.5354362), wk = 0.0036630 k( 232) = ( 0.5000000 -0.0000000 0.5099392), wk = 0.0036630 k( 233) = ( 0.5000000 -0.0000000 0.4844423), wk = 0.0036630 k( 234) = ( 0.5000000 -0.0000000 0.4589453), wk = 0.0036630 k( 235) = ( 0.5000000 -0.0000000 0.4334484), wk = 0.0036630 k( 236) = ( 0.5000000 -0.0000000 0.4079514), wk = 0.0036630 k( 237) = ( 0.5000000 -0.0000000 0.3824544), wk = 0.0036630 k( 238) = ( 0.5000000 -0.0000000 0.3569575), wk = 0.0036630 k( 239) = ( 0.5000000 -0.0000000 0.3314605), wk = 0.0036630 k( 240) = ( 0.5000000 -0.0000000 0.3059635), wk = 0.0036630 k( 241) = ( 0.5000000 -0.0000000 0.2804666), wk = 0.0036630 k( 242) = ( 0.5000000 -0.0000000 0.2549696), wk = 0.0036630 k( 243) = ( 0.5000000 -0.0000000 0.2294727), wk = 0.0036630 k( 244) = ( 0.5000000 -0.0000000 0.2039757), wk = 0.0036630 k( 245) = ( 0.5000000 -0.0000000 0.1784787), wk = 0.0036630 k( 246) = ( 0.5000000 -0.0000000 0.1529818), wk = 0.0036630 k( 247) = ( 0.5000000 -0.0000000 0.1274848), wk = 0.0036630 k( 248) = ( 0.5000000 -0.0000000 0.1019878), wk = 0.0036630 k( 249) = ( 0.5000000 -0.0000000 0.0764909), wk = 0.0036630 k( 250) = ( 0.5000000 -0.0000000 0.0509939), wk = 0.0036630 k( 251) = ( 0.5000000 -0.0000000 0.0254970), wk = 0.0036630 k( 252) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036630 k( 253) = ( 0.0000000 0.0000000 0.7139149), wk = 0.0036630 k( 254) = ( 0.0250000 -0.0000000 0.7139149), wk = 0.0036630 k( 255) = ( 0.0500000 -0.0000000 0.7139149), wk = 0.0036630 k( 256) = ( 0.0750000 -0.0000000 0.7139149), wk = 0.0036630 k( 257) = ( 0.1000000 -0.0000000 0.7139149), wk = 0.0036630 k( 258) = ( 0.1250000 -0.0000000 0.7139149), wk = 0.0036630 k( 259) = ( 0.1500000 -0.0000000 0.7139149), wk = 0.0036630 k( 260) = ( 0.1750000 -0.0000000 0.7139149), wk = 0.0036630 k( 261) = ( 0.2000000 -0.0000000 0.7139149), wk = 0.0036630 k( 262) = ( 0.2250000 -0.0000000 0.7139149), wk = 0.0036630 k( 263) = ( 0.2500000 -0.0000000 0.7139149), wk = 0.0036630 k( 264) = ( 0.2750000 -0.0000000 0.7139149), wk = 0.0036630 k( 265) = ( 0.3000000 -0.0000000 0.7139149), wk = 0.0036630 k( 266) = ( 0.3250000 -0.0000000 0.7139149), wk = 0.0036630 k( 267) = ( 0.3500000 -0.0000000 0.7139149), wk = 0.0036630 k( 268) = ( 0.3750000 -0.0000000 0.7139149), wk = 0.0036630 k( 269) = ( 0.4000000 -0.0000000 0.7139149), wk = 0.0036630 k( 270) = ( 0.4250000 -0.0000000 0.7139149), wk = 0.0036630 k( 271) = ( 0.4500000 -0.0000000 0.7139149), wk = 0.0036630 k( 272) = ( 0.4750000 -0.0000000 0.7139149), wk = 0.0036630 k( 273) = ( 0.5000000 -0.0000000 0.7139149), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 31) = ( 0.0000000 0.0106254 0.5052668), wk = 0.0036630 k( 32) = ( 0.0000000 0.0212508 0.5105335), wk = 0.0036630 k( 33) = ( 0.0000000 0.0318762 0.5158003), wk = 0.0036630 k( 34) = ( 0.0000000 0.0425016 0.5210671), wk = 0.0036630 k( 35) = ( 0.0000000 0.0531270 0.5263338), wk = 0.0036630 k( 36) = ( 0.0000000 0.0637524 0.5316006), wk = 0.0036630 k( 37) = ( 0.0000000 0.0743778 0.5368674), wk = 0.0036630 k( 38) = ( 0.0000000 0.0850031 0.5421341), wk = 0.0036630 k( 39) = ( 0.0000000 0.0956285 0.5474009), wk = 0.0036630 k( 40) = ( 0.0000000 0.1062539 0.5526677), wk = 0.0036630 k( 41) = ( 0.0000000 0.1168793 0.5579344), wk = 0.0036630 k( 42) = ( 0.0000000 0.1275047 0.5632012), wk = 0.0036630 k( 43) = ( 0.0000000 0.1381301 0.5684680), wk = 0.0036630 k( 44) = ( 0.0000000 0.1487555 0.5737347), wk = 0.0036630 k( 45) = ( 0.0000000 0.1593809 0.5790015), wk = 0.0036630 k( 46) = ( 0.0000000 0.1700063 0.5842682), wk = 0.0036630 k( 47) = ( 0.0000000 0.1806317 0.5895350), wk = 0.0036630 k( 48) = ( 0.0000000 0.1912571 0.5948018), wk = 0.0036630 k( 49) = ( 0.0000000 0.2018825 0.6000685), wk = 0.0036630 k( 50) = ( 0.0000000 0.2125079 0.6053353), wk = 0.0036630 k( 51) = ( 0.0000000 0.2231333 0.6106021), wk = 0.0036630 k( 52) = ( 0.0000000 0.2337587 0.6158688), wk = 0.0036630 k( 53) = ( 0.0000000 0.2443841 0.6211356), wk = 0.0036630 k( 54) = ( 0.0000000 0.2550095 0.6264024), wk = 0.0036630 k( 55) = ( 0.0000000 0.2656348 0.6316691), wk = 0.0036630 k( 56) = ( 0.0000000 0.2762602 0.6369359), wk = 0.0036630 k( 57) = ( 0.0000000 0.2868856 0.6422027), wk = 0.0036630 k( 58) = ( 0.0000000 0.2975110 0.6474694), wk = 0.0036630 k( 59) = ( 0.0000000 0.3081364 0.6527362), wk = 0.0036630 k( 60) = ( 0.0000000 0.3187618 0.6580030), wk = 0.0036630 k( 61) = ( 0.0000000 0.3293872 0.6632697), wk = 0.0036630 k( 62) = ( 0.0000000 0.3400126 0.6685365), wk = 0.0036630 k( 63) = ( 0.0000000 0.3506380 0.6738032), wk = 0.0036630 k( 64) = ( 0.0000000 0.3612634 0.6790700), wk = 0.0036630 k( 65) = ( 0.0000000 0.3718888 0.6843368), wk = 0.0036630 k( 66) = ( 0.0000000 0.3825142 0.6896035), wk = 0.0036630 k( 67) = ( 0.0000000 0.3931396 0.6948703), wk = 0.0036630 k( 68) = ( 0.0000000 0.4037650 0.7001371), wk = 0.0036630 k( 69) = ( 0.0000000 0.4143904 0.7054038), wk = 0.0036630 k( 70) = ( 0.0000000 0.4250157 0.7106706), wk = 0.0036630 k( 71) = ( 0.0000000 0.4356411 0.7159374), wk = 0.0036630 k( 72) = ( 0.0000000 0.4462665 0.7212041), wk = 0.0036630 k( 73) = ( 0.0000000 0.4568919 0.7264709), wk = 0.0036630 k( 74) = ( 0.0000000 0.4568919 0.7264709), wk = 0.0036630 k( 75) = ( 0.0000000 0.4597658 0.7113728), wk = 0.0036630 k( 76) = ( 0.0000000 0.4626397 0.6962748), wk = 0.0036630 k( 77) = ( 0.0000000 0.4655135 0.6811767), wk = 0.0036630 k( 78) = ( 0.0000000 0.4683874 0.6660787), wk = 0.0036630 k( 79) = ( 0.0000000 0.4712613 0.6509806), wk = 0.0036630 k( 80) = ( 0.0000000 0.4741352 0.6358825), wk = 0.0036630 k( 81) = ( 0.0000000 0.4770090 0.6207845), wk = 0.0036630 k( 82) = ( 0.0000000 0.4798829 0.6056864), wk = 0.0036630 k( 83) = ( 0.0000000 0.4827568 0.5905884), wk = 0.0036630 k( 84) = ( 0.0000000 0.4856306 0.5754903), wk = 0.0036630 k( 85) = ( 0.0000000 0.4885045 0.5603922), wk = 0.0036630 k( 86) = ( 0.0000000 0.4913784 0.5452942), wk = 0.0036630 k( 87) = ( 0.0000000 0.4942523 0.5301961), wk = 0.0036630 k( 88) = ( 0.0000000 0.4971261 0.5150981), wk = 0.0036630 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036630 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036630 k( 91) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0036630 k( 92) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0036630 k( 93) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0036630 k( 94) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0036630 k( 95) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0036630 k( 96) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0036630 k( 97) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0036630 k( 98) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0036630 k( 99) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0036630 k( 100) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0036630 k( 101) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0036630 k( 102) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0036630 k( 103) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0036630 k( 104) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0036630 k( 105) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0036630 k( 106) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0036630 k( 107) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0036630 k( 108) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0036630 k( 109) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0036630 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036630 k( 111) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036630 k( 112) = ( 0.5000000 0.5028739 0.4849019), wk = 0.0036630 k( 113) = ( 0.5000000 0.5057477 0.4698039), wk = 0.0036630 k( 114) = ( 0.5000000 0.5086216 0.4547058), wk = 0.0036630 k( 115) = ( 0.5000000 0.5114955 0.4396078), wk = 0.0036630 k( 116) = ( 0.5000000 0.5143694 0.4245097), wk = 0.0036630 k( 117) = ( 0.5000000 0.5172432 0.4094116), wk = 0.0036630 k( 118) = ( 0.5000000 0.5201171 0.3943136), wk = 0.0036630 k( 119) = ( 0.5000000 0.5229910 0.3792155), wk = 0.0036630 k( 120) = ( 0.5000000 0.5258649 0.3641175), wk = 0.0036630 k( 121) = ( 0.5000000 0.5287387 0.3490194), wk = 0.0036630 k( 122) = ( 0.5000000 0.5316126 0.3339213), wk = 0.0036630 k( 123) = ( 0.5000000 0.5344865 0.3188233), wk = 0.0036630 k( 124) = ( 0.5000000 0.5373603 0.3037252), wk = 0.0036630 k( 125) = ( 0.5000000 0.5402342 0.2886272), wk = 0.0036630 k( 126) = ( 0.5000000 0.5431081 0.2735291), wk = 0.0036630 k( 127) = ( 0.5000000 0.5431081 0.2735291), wk = 0.0036630 k( 128) = ( 0.5000000 0.5402342 0.2552938), wk = 0.0036630 k( 129) = ( 0.5000000 0.5373603 0.2370586), wk = 0.0036630 k( 130) = ( 0.5000000 0.5344865 0.2188233), wk = 0.0036630 k( 131) = ( 0.5000000 0.5316126 0.2005880), wk = 0.0036630 k( 132) = ( 0.5000000 0.5287387 0.1823527), wk = 0.0036630 k( 133) = ( 0.5000000 0.5258649 0.1641175), wk = 0.0036630 k( 134) = ( 0.5000000 0.5229910 0.1458822), wk = 0.0036630 k( 135) = ( 0.5000000 0.5201171 0.1276469), wk = 0.0036630 k( 136) = ( 0.5000000 0.5172432 0.1094116), wk = 0.0036630 k( 137) = ( 0.5000000 0.5143694 0.0911764), wk = 0.0036630 k( 138) = ( 0.5000000 0.5114955 0.0729411), wk = 0.0036630 k( 139) = ( 0.5000000 0.5086216 0.0547058), wk = 0.0036630 k( 140) = ( 0.5000000 0.5057477 0.0364705), wk = 0.0036630 k( 141) = ( 0.5000000 0.5028739 0.0182353), wk = 0.0036630 k( 142) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036630 k( 143) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036630 k( 144) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0036630 k( 145) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0036630 k( 146) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0036630 k( 147) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036630 k( 148) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036630 k( 149) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0036630 k( 150) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0036630 k( 151) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0036630 k( 152) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0036630 k( 153) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036630 k( 154) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0036630 k( 155) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0036630 k( 156) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0036630 k( 157) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0036630 k( 158) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036630 k( 159) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0036630 k( 160) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0036630 k( 161) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0036630 k( 162) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0036630 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 164) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 165) = ( 0.0000000 0.5028739 0.0182353), wk = 0.0036630 k( 166) = ( 0.0000000 0.5057477 0.0364705), wk = 0.0036630 k( 167) = ( 0.0000000 0.5086216 0.0547058), wk = 0.0036630 k( 168) = ( 0.0000000 0.5114955 0.0729411), wk = 0.0036630 k( 169) = ( 0.0000000 0.5143694 0.0911764), wk = 0.0036630 k( 170) = ( 0.0000000 0.5172432 0.1094116), wk = 0.0036630 k( 171) = ( 0.0000000 0.5201171 0.1276469), wk = 0.0036630 k( 172) = ( 0.0000000 0.5229910 0.1458822), wk = 0.0036630 k( 173) = ( 0.0000000 0.5258649 0.1641175), wk = 0.0036630 k( 174) = ( 0.0000000 0.5287387 0.1823527), wk = 0.0036630 k( 175) = ( 0.0000000 0.5316126 0.2005880), wk = 0.0036630 k( 176) = ( 0.0000000 0.5344865 0.2188233), wk = 0.0036630 k( 177) = ( 0.0000000 0.5373603 0.2370586), wk = 0.0036630 k( 178) = ( 0.0000000 0.5402342 0.2552938), wk = 0.0036630 k( 179) = ( 0.0000000 0.5431081 0.2735291), wk = 0.0036630 k( 180) = ( 0.5000000 0.4568919 0.7264709), wk = 0.0036630 k( 181) = ( 0.5000000 0.4462665 0.7212041), wk = 0.0036630 k( 182) = ( 0.5000000 0.4356411 0.7159374), wk = 0.0036630 k( 183) = ( 0.5000000 0.4250157 0.7106706), wk = 0.0036630 k( 184) = ( 0.5000000 0.4143904 0.7054038), wk = 0.0036630 k( 185) = ( 0.5000000 0.4037650 0.7001371), wk = 0.0036630 k( 186) = ( 0.5000000 0.3931396 0.6948703), wk = 0.0036630 k( 187) = ( 0.5000000 0.3825142 0.6896035), wk = 0.0036630 k( 188) = ( 0.5000000 0.3718888 0.6843368), wk = 0.0036630 k( 189) = ( 0.5000000 0.3612634 0.6790700), wk = 0.0036630 k( 190) = ( 0.5000000 0.3506380 0.6738032), wk = 0.0036630 k( 191) = ( 0.5000000 0.3400126 0.6685365), wk = 0.0036630 k( 192) = ( 0.5000000 0.3293872 0.6632697), wk = 0.0036630 k( 193) = ( 0.5000000 0.3187618 0.6580030), wk = 0.0036630 k( 194) = ( 0.5000000 0.3081364 0.6527362), wk = 0.0036630 k( 195) = ( 0.5000000 0.2975110 0.6474694), wk = 0.0036630 k( 196) = ( 0.5000000 0.2868856 0.6422027), wk = 0.0036630 k( 197) = ( 0.5000000 0.2762602 0.6369359), wk = 0.0036630 k( 198) = ( 0.5000000 0.2656348 0.6316691), wk = 0.0036630 k( 199) = ( 0.5000000 0.2550095 0.6264024), wk = 0.0036630 k( 200) = ( 0.5000000 0.2443841 0.6211356), wk = 0.0036630 k( 201) = ( 0.5000000 0.2337587 0.6158688), wk = 0.0036630 k( 202) = ( 0.5000000 0.2231333 0.6106021), wk = 0.0036630 k( 203) = ( 0.5000000 0.2125079 0.6053353), wk = 0.0036630 k( 204) = ( 0.5000000 0.2018825 0.6000685), wk = 0.0036630 k( 205) = ( 0.5000000 0.1912571 0.5948018), wk = 0.0036630 k( 206) = ( 0.5000000 0.1806317 0.5895350), wk = 0.0036630 k( 207) = ( 0.5000000 0.1700063 0.5842682), wk = 0.0036630 k( 208) = ( 0.5000000 0.1593809 0.5790015), wk = 0.0036630 k( 209) = ( 0.5000000 0.1487555 0.5737347), wk = 0.0036630 k( 210) = ( 0.5000000 0.1381301 0.5684680), wk = 0.0036630 k( 211) = ( 0.5000000 0.1275047 0.5632012), wk = 0.0036630 k( 212) = ( 0.5000000 0.1168793 0.5579344), wk = 0.0036630 k( 213) = ( 0.5000000 0.1062539 0.5526677), wk = 0.0036630 k( 214) = ( 0.5000000 0.0956285 0.5474009), wk = 0.0036630 k( 215) = ( 0.5000000 0.0850031 0.5421341), wk = 0.0036630 k( 216) = ( 0.5000000 0.0743777 0.5368674), wk = 0.0036630 k( 217) = ( 0.5000000 0.0637524 0.5316006), wk = 0.0036630 k( 218) = ( 0.5000000 0.0531270 0.5263338), wk = 0.0036630 k( 219) = ( 0.5000000 0.0425016 0.5210671), wk = 0.0036630 k( 220) = ( 0.5000000 0.0318762 0.5158003), wk = 0.0036630 k( 221) = ( 0.5000000 0.0212508 0.5105335), wk = 0.0036630 k( 222) = ( 0.5000000 0.0106254 0.5052668), wk = 0.0036630 k( 223) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036630 k( 224) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036630 k( 225) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0036630 k( 226) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0036630 k( 227) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0036630 k( 228) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0036630 k( 229) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0036630 k( 230) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0036630 k( 231) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0036630 k( 232) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0036630 k( 233) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0036630 k( 234) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0036630 k( 235) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0036630 k( 236) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0036630 k( 237) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0036630 k( 238) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0036630 k( 239) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0036630 k( 240) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0036630 k( 241) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0036630 k( 242) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0036630 k( 243) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0036630 k( 244) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0036630 k( 245) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0036630 k( 246) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0036630 k( 247) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0036630 k( 248) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0036630 k( 249) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0036630 k( 250) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0036630 k( 251) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0036630 k( 252) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036630 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 254) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0036630 k( 255) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0036630 k( 256) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0036630 k( 257) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0036630 k( 258) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0036630 k( 259) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0036630 k( 260) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0036630 k( 261) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0036630 k( 262) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0036630 k( 263) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0036630 k( 264) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0036630 k( 265) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0036630 k( 266) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0036630 k( 267) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0036630 k( 268) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0036630 k( 269) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0036630 k( 270) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0036630 k( 271) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0036630 k( 272) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0036630 k( 273) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036630 Dense grid: 57239 G-vectors FFT dimensions: ( 75, 30, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 484, 62) NL pseudopotentials 0.47 Mb ( 242, 128) Each V/rho on FFT grid 0.07 Mb ( 4500) Each G-vector array 0.01 Mb ( 1788) G-vector shells 0.01 Mb ( 1685) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.83 Mb ( 484, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.24 Mb ( 128, 2, 62) The potential is recalculated from file : ./BiI3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.7 secs Computing kpt #: 8 total cpu time spent up to now is 14.3 secs Computing kpt #: 9 total cpu time spent up to now is 15.9 secs Computing kpt #: 10 total cpu time spent up to now is 17.5 secs Computing kpt #: 11 total cpu time spent up to now is 19.0 secs Computing kpt #: 12 total cpu time spent up to now is 20.5 secs Computing kpt #: 13 total cpu time spent up to now is 22.0 secs Computing kpt #: 14 total cpu time spent up to now is 23.6 secs Computing kpt #: 15 total cpu time spent up to now is 25.1 secs Computing kpt #: 16 total cpu time spent up to now is 26.7 secs Computing kpt #: 17 total cpu time spent up to now is 28.3 secs Computing kpt #: 18 total cpu time spent up to now is 30.0 secs Computing kpt #: 19 total cpu time spent up to now is 31.7 secs Computing kpt #: 20 total cpu time spent up to now is 33.4 secs Computing kpt #: 21 total cpu time spent up to now is 35.1 secs Computing kpt #: 22 total cpu time spent up to now is 36.9 secs Computing kpt #: 23 total cpu time spent up to now is 38.6 secs Computing kpt #: 24 total cpu time spent up to now is 40.6 secs Computing kpt #: 25 total cpu time spent up to now is 42.3 secs Computing kpt #: 26 total cpu time spent up to now is 43.9 secs Computing kpt #: 27 total cpu time spent up to now is 45.6 secs Computing kpt #: 28 total cpu time spent up to now is 47.3 secs Computing kpt #: 29 total cpu time spent up to now is 48.9 secs Computing kpt #: 30 total cpu time spent up to now is 50.5 secs Computing kpt #: 31 total cpu time spent up to now is 52.2 secs Computing kpt #: 32 total cpu time spent up to now is 53.9 secs Computing kpt #: 33 total cpu time spent up to now is 55.8 secs Computing kpt #: 34 total cpu time spent up to now is 57.7 secs Computing kpt #: 35 total cpu time spent up to now is 59.5 secs Computing kpt #: 36 total cpu time spent up to now is 61.4 secs Computing kpt #: 37 total cpu time spent up to now is 63.3 secs Computing kpt #: 38 total cpu time spent up to now is 65.0 secs Computing kpt #: 39 total cpu time spent up to now is 66.6 secs Computing kpt #: 40 total cpu time spent up to now is 68.2 secs Computing kpt #: 41 total cpu time spent up to now is 69.7 secs Computing kpt #: 42 total cpu time spent up to now is 71.3 secs Computing kpt #: 43 total cpu time spent up to now is 72.8 secs Computing kpt #: 44 total cpu time spent up to now is 74.4 secs Computing kpt #: 45 total cpu time spent up to now is 75.9 secs Computing kpt #: 46 total cpu time spent up to now is 77.3 secs Computing kpt #: 47 total cpu time spent up to now is 78.8 secs Computing kpt #: 48 total cpu time spent up to now is 80.2 secs Computing kpt #: 49 total cpu time spent up to now is 81.6 secs Computing kpt #: 50 total cpu time spent up to now is 83.0 secs Computing kpt #: 51 total cpu time spent up to now is 84.5 secs Computing kpt #: 52 total cpu time spent up to now is 85.9 secs Computing kpt #: 53 total cpu time spent up to now is 87.3 secs Computing kpt #: 54 total cpu time spent up to now is 88.7 secs Computing kpt #: 55 total cpu time spent up to now is 90.2 secs Computing kpt #: 56 total cpu time spent up to now is 91.6 secs Computing kpt #: 57 total cpu time spent up to now is 93.1 secs Computing kpt #: 58 total cpu time spent up to now is 94.6 secs Computing kpt #: 59 total cpu time spent up to now is 96.1 secs Computing kpt #: 60 total cpu time spent up to now is 97.6 secs Computing kpt #: 61 total cpu time spent up to now is 99.1 secs Computing kpt #: 62 total cpu time spent up to now is 100.6 secs Computing kpt #: 63 total cpu time spent up to now is 102.1 secs Computing kpt #: 64 total cpu time spent up to now is 103.5 secs Computing kpt #: 65 total cpu time spent up to now is 105.0 secs Computing kpt #: 66 total cpu time spent up to now is 106.5 secs Computing kpt #: 67 total cpu time spent up to now is 107.9 secs Computing kpt #: 68 total cpu time spent up to now is 109.4 secs Computing kpt #: 69 total cpu time spent up to now is 110.8 secs Computing kpt #: 70 total cpu time spent up to now is 112.3 secs Computing kpt #: 71 total cpu time spent up to now is 114.1 secs Computing kpt #: 72 total cpu time spent up to now is 116.6 secs Computing kpt #: 73 total cpu time spent up to now is 118.7 secs Computing kpt #: 74 total cpu time spent up to now is 120.2 secs Computing kpt #: 75 total cpu time spent up to now is 121.8 secs Computing kpt #: 76 total cpu time spent up to now is 123.3 secs Computing kpt #: 77 total cpu time spent up to now is 125.1 secs Computing kpt #: 78 total cpu time spent up to now is 126.8 secs Computing kpt #: 79 total cpu time spent up to now is 128.5 secs Computing kpt #: 80 total cpu time spent up to now is 130.1 secs Computing kpt #: 81 total cpu time spent up to now is 131.5 secs Computing kpt #: 82 total cpu time spent up to now is 133.0 secs Computing kpt #: 83 total cpu time spent up to now is 134.4 secs Computing kpt #: 84 total cpu time spent up to now is 135.9 secs Computing kpt #: 85 total cpu time spent up to now is 137.3 secs Computing kpt #: 86 total cpu time spent up to now is 138.7 secs Computing kpt #: 87 total cpu time spent up to now is 140.1 secs Computing kpt #: 88 total cpu time spent up to now is 142.7 secs Computing kpt #: 89 total cpu time spent up to now is 144.0 secs Computing kpt #: 90 total cpu time spent up to now is 145.4 secs Computing kpt #: 91 total cpu time spent up to now is 147.3 secs Computing kpt #: 92 total cpu time spent up to now is 149.1 secs Computing kpt #: 93 total cpu time spent up to now is 150.8 secs Computing kpt #: 94 total cpu time spent up to now is 152.3 secs Computing kpt #: 95 total cpu time spent up to now is 153.7 secs Computing kpt #: 96 total cpu time spent up to now is 155.1 secs Computing kpt #: 97 total cpu time spent up to now is 156.5 secs Computing kpt #: 98 total cpu time spent up to now is 157.9 secs Computing kpt #: 99 total cpu time spent up to now is 159.3 secs Computing kpt #: 100 total cpu time spent up to now is 160.7 secs Computing kpt #: 101 total cpu time spent up to now is 162.1 secs Computing kpt #: 102 total cpu time spent up to now is 163.5 secs Computing kpt #: 103 total cpu time spent up to now is 164.9 secs Computing kpt #: 104 total cpu time spent up to now is 166.3 secs Computing kpt #: 105 total cpu time spent up to now is 167.7 secs Computing kpt #: 106 total cpu time spent up to now is 169.2 secs Computing kpt #: 107 total cpu time spent up to now is 170.5 secs Computing kpt #: 108 total cpu time spent up to now is 171.9 secs Computing kpt #: 109 total cpu time spent up to now is 173.4 secs Computing kpt #: 110 total cpu time spent up to now is 174.7 secs Computing kpt #: 111 total cpu time spent up to now is 176.2 secs Computing kpt #: 112 total cpu time spent up to now is 177.6 secs Computing kpt #: 113 total cpu time spent up to now is 179.0 secs Computing kpt #: 114 total cpu time spent up to now is 180.4 secs Computing kpt #: 115 total cpu time spent up to now is 181.8 secs Computing kpt #: 116 total cpu time spent up to now is 183.1 secs Computing kpt #: 117 total cpu time spent up to now is 184.5 secs Computing kpt #: 118 total cpu time spent up to now is 186.0 secs Computing kpt #: 119 total cpu time spent up to now is 187.4 secs Computing kpt #: 120 total cpu time spent up to now is 188.7 secs Computing kpt #: 121 total cpu time spent up to now is 190.1 secs Computing kpt #: 122 total cpu time spent up to now is 191.5 secs Computing kpt #: 123 total cpu time spent up to now is 192.9 secs Computing kpt #: 124 total cpu time spent up to now is 194.3 secs Computing kpt #: 125 total cpu time spent up to now is 195.7 secs Computing kpt #: 126 total cpu time spent up to now is 197.1 secs Computing kpt #: 127 total cpu time spent up to now is 198.5 secs Computing kpt #: 128 total cpu time spent up to now is 199.9 secs Computing kpt #: 129 total cpu time spent up to now is 201.3 secs Computing kpt #: 130 total cpu time spent up to now is 202.6 secs Computing kpt #: 131 total cpu time spent up to now is 204.0 secs Computing kpt #: 132 total cpu time spent up to now is 205.4 secs Computing kpt #: 133 total cpu time spent up to now is 206.8 secs Computing kpt #: 134 total cpu time spent up to now is 208.2 secs Computing kpt #: 135 total cpu time spent up to now is 209.6 secs Computing kpt #: 136 total cpu time spent up to now is 210.9 secs Computing kpt #: 137 total cpu time spent up to now is 212.3 secs Computing kpt #: 138 total cpu time spent up to now is 213.7 secs Computing kpt #: 139 total cpu time spent up to now is 215.1 secs Computing kpt #: 140 total cpu time spent up to now is 216.6 secs Computing kpt #: 141 total cpu time spent up to now is 218.0 secs Computing kpt #: 142 total cpu time spent up to now is 219.3 secs Computing kpt #: 143 total cpu time spent up to now is 221.1 secs Computing kpt #: 144 total cpu time spent up to now is 222.5 secs Computing kpt #: 145 total cpu time spent up to now is 223.9 secs Computing kpt #: 146 total cpu time spent up to now is 225.2 secs Computing kpt #: 147 total cpu time spent up to now is 226.7 secs Computing kpt #: 148 total cpu time spent up to now is 228.1 secs Computing kpt #: 149 total cpu time spent up to now is 229.5 secs Computing kpt #: 150 total cpu time spent up to now is 230.9 secs Computing kpt #: 151 total cpu time spent up to now is 232.2 secs Computing kpt #: 152 total cpu time spent up to now is 233.6 secs Computing kpt #: 153 total cpu time spent up to now is 235.0 secs Computing kpt #: 154 total cpu time spent up to now is 236.4 secs Computing kpt #: 155 total cpu time spent up to now is 237.8 secs Computing kpt #: 156 total cpu time spent up to now is 239.2 secs Computing kpt #: 157 total cpu time spent up to now is 240.6 secs Computing kpt #: 158 total cpu time spent up to now is 242.0 secs Computing kpt #: 159 total cpu time spent up to now is 243.5 secs Computing kpt #: 160 total cpu time spent up to now is 245.0 secs Computing kpt #: 161 total cpu time spent up to now is 246.5 secs Computing kpt #: 162 total cpu time spent up to now is 247.9 secs Computing kpt #: 163 total cpu time spent up to now is 249.3 secs Computing kpt #: 164 total cpu time spent up to now is 250.7 secs Computing kpt #: 165 total cpu time spent up to now is 252.1 secs Computing kpt #: 166 total cpu time spent up to now is 253.7 secs Computing kpt #: 167 total cpu time spent up to now is 255.1 secs Computing kpt #: 168 total cpu time spent up to now is 256.5 secs Computing kpt #: 169 total cpu time spent up to now is 257.9 secs Computing kpt #: 170 total cpu time spent up to now is 259.3 secs Computing kpt #: 171 total cpu time spent up to now is 260.7 secs Computing kpt #: 172 total cpu time spent up to now is 262.1 secs Computing kpt #: 173 total cpu time spent up to now is 263.5 secs Computing kpt #: 174 total cpu time spent up to now is 265.0 secs Computing kpt #: 175 total cpu time spent up to now is 266.7 secs Computing kpt #: 176 total cpu time spent up to now is 268.5 secs Computing kpt #: 177 total cpu time spent up to now is 270.2 secs Computing kpt #: 178 total cpu time spent up to now is 271.8 secs Computing kpt #: 179 total cpu time spent up to now is 273.2 secs Computing kpt #: 180 total cpu time spent up to now is 274.5 secs Computing kpt #: 181 total cpu time spent up to now is 275.9 secs Computing kpt #: 182 total cpu time spent up to now is 277.3 secs Computing kpt #: 183 total cpu time spent up to now is 278.7 secs Computing kpt #: 184 total cpu time spent up to now is 280.1 secs Computing kpt #: 185 total cpu time spent up to now is 281.4 secs Computing kpt #: 186 total cpu time spent up to now is 282.8 secs Computing kpt #: 187 total cpu time spent up to now is 284.2 secs Computing kpt #: 188 total cpu time spent up to now is 285.6 secs Computing kpt #: 189 total cpu time spent up to now is 287.0 secs Computing kpt #: 190 total cpu time spent up to now is 288.4 secs Computing kpt #: 191 total cpu time spent up to now is 289.8 secs Computing kpt #: 192 total cpu time spent up to now is 291.2 secs Computing kpt #: 193 total cpu time spent up to now is 292.6 secs Computing kpt #: 194 total cpu time spent up to now is 294.0 secs Computing kpt #: 195 total cpu time spent up to now is 295.5 secs Computing kpt #: 196 total cpu time spent up to now is 296.9 secs Computing kpt #: 197 total cpu time spent up to now is 298.4 secs Computing kpt #: 198 total cpu time spent up to now is 299.8 secs Computing kpt #: 199 total cpu time spent up to now is 301.3 secs Computing kpt #: 200 total cpu time spent up to now is 302.8 secs Computing kpt #: 201 total cpu time spent up to now is 304.3 secs Computing kpt #: 202 total cpu time spent up to now is 305.7 secs Computing kpt #: 203 total cpu time spent up to now is 307.2 secs Computing kpt #: 204 total cpu time spent up to now is 308.7 secs Computing kpt #: 205 total cpu time spent up to now is 310.1 secs Computing kpt #: 206 total cpu time spent up to now is 311.6 secs Computing kpt #: 207 total cpu time spent up to now is 313.1 secs Computing kpt #: 208 total cpu time spent up to now is 314.6 secs Computing kpt #: 209 total cpu time spent up to now is 316.1 secs Computing kpt #: 210 total cpu time spent up to now is 317.6 secs Computing kpt #: 211 total cpu time spent up to now is 319.1 secs Computing kpt #: 212 total cpu time spent up to now is 320.6 secs Computing kpt #: 213 total cpu time spent up to now is 322.3 secs Computing kpt #: 214 total cpu time spent up to now is 324.0 secs Computing kpt #: 215 total cpu time spent up to now is 325.6 secs Computing kpt #: 216 total cpu time spent up to now is 327.3 secs Computing kpt #: 217 total cpu time spent up to now is 329.0 secs Computing kpt #: 218 total cpu time spent up to now is 330.7 secs Computing kpt #: 219 total cpu time spent up to now is 332.4 secs Computing kpt #: 220 total cpu time spent up to now is 334.1 secs Computing kpt #: 221 total cpu time spent up to now is 335.8 secs Computing kpt #: 222 total cpu time spent up to now is 337.6 secs Computing kpt #: 223 total cpu time spent up to now is 339.5 secs Computing kpt #: 224 total cpu time spent up to now is 341.4 secs Computing kpt #: 225 total cpu time spent up to now is 343.1 secs Computing kpt #: 226 total cpu time spent up to now is 344.9 secs Computing kpt #: 227 total cpu time spent up to now is 346.6 secs Computing kpt #: 228 total cpu time spent up to now is 348.4 secs Computing kpt #: 229 total cpu time spent up to now is 350.1 secs Computing kpt #: 230 total cpu time spent up to now is 351.8 secs Computing kpt #: 231 total cpu time spent up to now is 353.5 secs Computing kpt #: 232 total cpu time spent up to now is 355.2 secs Computing kpt #: 233 total cpu time spent up to now is 356.9 secs Computing kpt #: 234 total cpu time spent up to now is 358.7 secs Computing kpt #: 235 total cpu time spent up to now is 360.4 secs Computing kpt #: 236 total cpu time spent up to now is 362.1 secs Computing kpt #: 237 total cpu time spent up to now is 363.9 secs Computing kpt #: 238 total cpu time spent up to now is 365.7 secs Computing kpt #: 239 total cpu time spent up to now is 367.6 secs Computing kpt #: 240 total cpu time spent up to now is 369.3 secs Computing kpt #: 241 total cpu time spent up to now is 371.2 secs Computing kpt #: 242 total cpu time spent up to now is 373.1 secs Computing kpt #: 243 total cpu time spent up to now is 375.0 secs Computing kpt #: 244 total cpu time spent up to now is 376.9 secs Computing kpt #: 245 total cpu time spent up to now is 378.9 secs Computing kpt #: 246 total cpu time spent up to now is 380.7 secs Computing kpt #: 247 total cpu time spent up to now is 382.7 secs Computing kpt #: 248 total cpu time spent up to now is 384.8 secs Computing kpt #: 249 total cpu time spent up to now is 387.0 secs Computing kpt #: 250 total cpu time spent up to now is 389.3 secs Computing kpt #: 251 total cpu time spent up to now is 392.0 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 395.0 secs Computing kpt #: 253 total cpu time spent up to now is 396.7 secs Computing kpt #: 254 total cpu time spent up to now is 398.4 secs Computing kpt #: 255 total cpu time spent up to now is 400.1 secs Computing kpt #: 256 total cpu time spent up to now is 401.8 secs Computing kpt #: 257 total cpu time spent up to now is 403.5 secs Computing kpt #: 258 total cpu time spent up to now is 405.2 secs Computing kpt #: 259 total cpu time spent up to now is 406.9 secs Computing kpt #: 260 total cpu time spent up to now is 408.6 secs Computing kpt #: 261 total cpu time spent up to now is 410.3 secs Computing kpt #: 262 total cpu time spent up to now is 412.0 secs Computing kpt #: 263 total cpu time spent up to now is 414.4 secs Computing kpt #: 264 total cpu time spent up to now is 418.0 secs Computing kpt #: 265 total cpu time spent up to now is 419.8 secs Computing kpt #: 266 total cpu time spent up to now is 421.4 secs Computing kpt #: 267 total cpu time spent up to now is 423.1 secs Computing kpt #: 268 total cpu time spent up to now is 424.8 secs Computing kpt #: 269 total cpu time spent up to now is 426.5 secs Computing kpt #: 270 total cpu time spent up to now is 428.2 secs Computing kpt #: 271 total cpu time spent up to now is 429.9 secs Computing kpt #: 272 total cpu time spent up to now is 431.7 secs Computing kpt #: 273 total cpu time spent up to now is 433.9 secs ethr = 1.92E-11, avg # of iterations = 31.4 total cpu time spent up to now is 433.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7187 PWs) bands (ev): -4.3949 -4.3949 -2.3431 -2.3431 -1.9602 -1.9602 -0.6658 -0.6658 0.4516 0.4516 0.6670 0.6670 2.3381 2.3381 2.6404 2.6404 5.6077 5.6077 5.8124 5.8124 6.5970 6.5970 8.7910 8.7910 9.9091 9.9091 10.4177 10.4177 10.7875 10.7875 10.8619 10.8619 10.9950 10.9950 12.2050 12.2050 12.5409 12.5409 12.5992 12.5992 12.7971 12.7971 13.1943 13.1943 13.4756 13.4756 13.6334 13.6334 13.7223 13.7223 14.3034 14.3034 15.7558 15.7558 16.7289 16.7289 17.9893 17.9893 18.1561 18.1561 18.6357 18.6357 k = 0.0000 0.0000 0.0255 ( 7181 PWs) bands (ev): -4.3935 -4.3935 -2.3419 -2.3415 -1.9592 -1.9589 -0.6786 -0.6768 0.4539 0.4574 0.6631 0.6634 2.3226 2.3245 2.6634 2.6635 5.6109 5.6114 5.8158 5.8175 6.6000 6.6021 8.7781 8.7862 9.9037 9.9077 10.3934 10.4146 10.7453 10.7572 10.8885 10.9128 11.0122 11.0279 12.1752 12.2227 12.4994 12.5539 12.5813 12.6240 12.7879 12.8201 13.1865 13.1952 13.4079 13.4592 13.6483 13.6690 13.7291 13.7496 14.3057 14.3109 15.7537 15.7603 16.7237 16.7263 17.9689 17.9815 18.1320 18.1680 18.6063 18.6490 k = 0.0000 0.0000 0.0510 ( 7177 PWs) bands (ev): -4.3893 -4.3892 -2.3379 -2.3372 -1.9558 -1.9552 -0.7139 -0.7105 0.4628 0.4696 0.6520 0.6526 2.2895 2.2930 2.7215 2.7219 5.6210 5.6221 5.8277 5.8311 6.6113 6.6153 8.7487 8.7643 9.8870 9.8962 10.3553 10.3911 10.6896 10.7009 10.9536 10.9854 11.0712 11.0916 12.1350 12.2276 12.4495 12.5203 12.5812 12.6448 12.7910 12.8526 13.1740 13.1887 13.3246 13.3996 13.6410 13.6676 13.8069 13.8285 14.3174 14.3269 15.7539 15.7670 16.7107 16.7160 17.9244 17.9434 18.1000 18.1638 18.5590 18.6435 k = 0.0000 0.0000 0.0765 ( 7169 PWs) bands (ev): -4.3822 -4.3821 -2.3310 -2.3300 -1.9500 -1.9492 -0.7685 -0.7639 0.4743 0.4840 0.6340 0.6346 2.2557 2.2604 2.7987 2.7995 5.6376 5.6393 5.8481 5.8531 6.6308 6.6369 8.7054 8.7276 9.8499 9.8667 10.3217 10.3639 10.6405 10.6524 11.0293 11.0686 11.1501 11.1668 12.0871 12.2200 12.3972 12.4744 12.5698 12.6517 12.8016 12.8868 13.1621 13.1765 13.2552 13.3461 13.6005 13.6411 13.9134 13.9304 14.3370 14.3497 15.7563 15.7755 16.6898 16.6980 17.8596 17.8782 18.0613 18.1423 18.4921 18.6113 k = 0.0000 0.0000 0.1020 ( 7161 PWs) bands (ev): -4.3723 -4.3721 -2.3214 -2.3200 -1.9420 -1.9410 -0.8386 -0.8331 0.4827 0.4952 0.6098 0.6100 2.2313 2.2369 2.8861 2.8873 5.6604 5.6629 5.8771 5.8836 6.6587 6.6669 8.6510 8.6790 9.7869 9.8131 10.2978 10.3394 10.6098 10.6234 11.1086 11.1577 11.2340 11.2425 12.0350 12.2017 12.3469 12.4229 12.5449 12.6381 12.8145 12.9134 13.1547 13.1642 13.2103 13.3084 13.5475 13.6002 14.0245 14.0369 14.3622 14.3774 15.7607 15.7857 16.6611 16.6725 17.7779 17.7928 18.0160 18.1055 18.4104 18.5492 k = 0.0000 0.0000 0.1275 ( 7164 PWs) bands (ev): -4.3595 -4.3593 -2.3090 -2.3073 -1.9318 -1.9304 -0.9202 -0.9141 0.4823 0.4977 0.5797 0.5807 2.2216 2.2279 2.9793 2.9808 5.6888 5.6922 5.9145 5.9226 6.6951 6.7053 8.5888 8.6217 9.7013 9.7372 10.2737 10.3103 10.6078 10.6236 11.1850 11.2485 11.3073 11.3161 11.9851 12.1739 12.3039 12.3676 12.5081 12.6065 12.8240 12.9246 13.1448 13.1593 13.1963 13.2914 13.4876 13.5501 14.1344 14.1426 14.3912 14.4089 15.7667 15.7969 16.6245 16.6395 17.6823 17.6940 17.9655 18.0572 18.3233 18.4677 k = 0.0000 0.0000 0.1530 ( 7159 PWs) bands (ev): -4.3440 -4.3437 -2.2939 -2.2919 -1.9193 -1.9178 -1.0101 -1.0038 0.4676 0.4868 0.5450 0.5488 2.2294 2.2359 3.0760 3.0776 5.7221 5.7266 5.9603 5.9698 6.7401 6.7524 8.5214 8.5585 9.6007 9.6450 10.2400 10.2706 10.6351 10.6550 11.2470 11.3338 11.3685 11.3796 11.9482 12.1377 12.2750 12.3103 12.4638 12.5655 12.8243 12.9201 13.1270 13.1498 13.2171 13.2994 13.4271 13.4959 14.2399 14.2437 14.4230 14.4444 15.7739 15.8086 16.5803 16.5993 17.5766 17.5876 17.9128 18.0018 18.2388 18.3781 k = 0.0000 0.0000 0.1785 ( 7164 PWs) bands (ev): -4.3256 -4.3253 -2.2760 -2.2738 -1.9049 -1.9032 -1.1058 -1.0992 0.4361 0.4590 0.5081 0.5152 2.2553 2.2617 3.1747 3.1763 5.7598 5.7655 6.0145 6.0254 6.7939 6.8082 8.4510 8.4918 9.4912 9.5424 10.1968 10.2228 10.6808 10.7094 11.2745 11.3757 11.4339 11.4485 11.9377 12.0947 12.2440 12.2744 12.4179 12.5250 12.8109 12.9050 13.1061 13.1266 13.2561 13.3245 13.3786 13.4450 14.3339 14.3399 14.4579 14.4863 15.7820 15.8203 16.5284 16.5520 17.4654 17.4775 17.8611 17.9436 18.1610 18.2866 k = 0.0000 0.0000 0.2040 ( 7165 PWs) bands (ev): -4.3044 -4.3041 -2.2555 -2.2530 -1.8887 -1.8868 -1.2049 -1.1983 0.3898 0.4154 0.4680 0.4780 2.2983 2.3042 3.2746 3.2761 5.8012 5.8082 6.0770 6.0891 6.8565 6.8726 8.3793 8.4236 9.3768 9.4338 10.1481 10.1713 10.7297 10.7740 11.2597 11.3612 11.5034 11.5367 11.9569 12.0484 12.1865 12.2853 12.3758 12.4939 12.7826 12.8849 13.0745 13.0880 13.2949 13.3259 13.3862 13.4131 14.4089 14.4246 14.5012 14.5399 15.7903 15.8316 16.4693 16.4982 17.3530 17.3668 17.8130 17.8856 18.0922 18.1972 k = 0.0000 0.0000 0.2295 ( 7176 PWs) bands (ev): -4.2805 -4.2801 -2.2325 -2.2297 -1.8712 -1.8691 -1.3056 -1.2990 0.3326 0.3604 0.4221 0.4347 2.3561 2.3612 3.3750 3.3764 5.8455 5.8540 6.1476 6.1608 6.9278 6.9454 8.3078 8.3556 9.2601 9.3220 10.0974 10.1189 10.7631 10.8309 11.2207 11.3248 11.5733 11.6240 11.9893 12.0031 12.1298 12.3067 12.3437 12.4803 12.7423 12.8666 13.0122 13.0406 13.3128 13.3231 13.4211 13.4348 14.4643 14.4826 14.5644 14.6067 15.7986 15.8418 16.4036 16.4385 17.2426 17.2581 17.7705 17.8302 18.0337 18.1130 k = 0.0000 0.0000 0.2550 ( 7174 PWs) bands (ev): -4.2538 -4.2533 -2.2070 -2.2040 -1.8533 -1.8511 -1.4058 -1.3991 0.2672 0.2971 0.3697 0.3849 2.4257 2.4299 3.4759 3.4769 5.8924 5.9023 6.2261 6.2401 7.0077 7.0262 8.2378 8.2891 9.1427 9.2089 10.0467 10.0674 10.7575 10.8464 11.1974 11.3017 11.6336 11.7041 11.9561 12.0192 12.0792 12.3045 12.3434 12.4904 12.6971 12.8598 12.9296 12.9748 13.3242 13.3360 13.4653 13.4869 14.5064 14.5208 14.6394 14.6793 15.8063 15.8508 16.3322 16.3745 17.1360 17.1536 17.7338 17.7799 17.9859 18.0365 k = 0.0000 0.0000 0.2805 ( 7164 PWs) bands (ev): -4.2244 -4.2239 -2.1793 -2.1763 -1.8370 -1.8348 -1.5020 -1.4955 0.1954 0.2269 0.3118 0.3295 2.5040 2.5073 3.5769 3.5776 5.9412 5.9526 6.3122 6.3267 7.0958 7.1144 8.1702 8.2257 9.0258 9.0957 9.9972 10.0177 10.6974 10.7882 11.2276 11.3140 11.6736 11.7690 11.9160 12.0096 12.0598 12.2919 12.3528 12.5149 12.6609 12.8399 12.8742 12.8920 13.3458 13.3600 13.5189 13.5408 14.5421 14.5526 14.7118 14.7498 15.8126 15.8581 16.2571 16.3082 17.0342 17.0547 17.6997 17.7393 17.9452 17.9734 k = 0.0000 0.0000 0.3060 ( 7166 PWs) bands (ev): -4.1922 -4.1917 -2.1501 -2.1472 -1.8279 -1.8262 -1.5874 -1.5813 0.1182 0.1510 0.2500 0.2696 2.5880 2.5904 3.6782 3.6785 5.9917 6.0044 6.4053 6.4200 7.1916 7.2090 8.1061 8.1669 8.9101 8.9837 9.9494 9.9703 10.5908 10.6741 11.2966 11.3546 11.6835 11.8097 11.8829 11.9635 12.0777 12.2849 12.3561 12.5169 12.6523 12.7652 12.8014 12.9130 13.3769 13.3924 13.5739 13.5939 14.5747 14.5823 14.7764 14.8133 15.8163 15.8631 16.1808 16.2429 16.9373 16.9621 17.6638 17.7130 17.8977 17.9386 k = 0.0000 0.0000 0.3315 ( 7167 PWs) bands (ev): -4.1574 -4.1568 -2.1208 -2.1184 -1.8406 -1.8387 -1.6452 -1.6409 0.0370 0.0704 0.1854 0.2064 2.6750 2.6765 3.7796 3.7800 6.0435 6.0575 6.5048 6.5193 7.2944 7.3083 8.0463 8.1145 8.7966 8.8737 9.9037 9.9256 10.4553 10.5323 11.3740 11.4024 11.6638 11.8249 11.8516 11.9165 12.1047 12.2656 12.3753 12.4809 12.6233 12.6971 12.7873 12.9705 13.4155 13.4308 13.6272 13.6450 14.6055 14.6117 14.8311 14.8674 15.8150 15.8639 16.1077 16.1833 16.8453 16.8757 17.6279 17.6973 17.8523 17.9241 k = 0.0000 0.0000 0.3570 ( 7163 PWs) bands (ev): -4.1200 -4.1194 -2.0961 -2.0948 -1.8864 -1.8813 -1.6606 -1.6585 -0.0475 -0.0138 0.1190 0.1408 2.7625 2.7633 3.8812 3.8822 6.0965 6.1115 6.6100 6.6237 7.4027 7.4101 7.9918 8.0713 8.6861 8.7668 9.8603 9.8838 10.3033 10.3765 11.4217 11.4458 11.6321 11.7948 11.8272 11.9001 12.1253 12.2270 12.4095 12.4168 12.5884 12.6267 12.8585 13.0379 13.4603 13.4738 13.6772 13.6931 14.6348 14.6418 14.8744 14.9101 15.8049 15.8560 16.0455 16.1353 16.7582 16.7951 17.5955 17.6842 17.8201 17.9201 k = 0.0000 0.0000 0.3825 ( 7173 PWs) bands (ev): -4.0800 -4.0793 -2.0935 -2.0931 -1.9336 -1.9254 -1.6473 -1.6463 -0.1343 -0.1006 0.0515 0.0737 2.8485 2.8488 3.9834 3.9850 6.1506 6.1662 6.7198 6.7320 7.5060 7.5185 7.9435 8.0419 8.5796 8.6642 9.8187 9.8447 10.1427 10.2140 11.4047 11.4658 11.6101 11.7184 11.8258 11.9290 12.1261 12.1796 12.3302 12.4099 12.5810 12.6378 12.9429 13.1073 13.5105 13.5207 13.7230 13.7376 14.6631 14.6727 14.9052 14.9405 15.7824 15.8305 16.0060 16.1042 16.6758 16.7201 17.5677 17.6668 17.8056 17.9226 k = 0.0000 0.0000 0.4080 ( 7177 PWs) bands (ev): -4.0376 -4.0368 -2.1397 -2.1394 -1.9377 -1.9291 -1.6216 -1.6209 -0.2226 -0.1891 -0.0166 0.0057 2.9311 2.9315 4.0859 4.0882 6.2055 6.2214 6.8329 6.8427 7.5927 7.6344 7.9027 8.0341 8.4787 8.5679 9.7773 9.8066 9.9800 10.0506 11.3353 11.4418 11.5649 11.6473 11.8428 11.9847 12.1028 12.1384 12.2530 12.3485 12.6435 12.6976 13.0271 13.1731 13.5649 13.5718 13.7638 13.7781 14.6905 14.7041 14.9228 14.9582 15.7480 15.7850 15.9936 16.0911 16.5982 16.6501 17.5444 17.6431 17.8072 17.9276 k = 0.0000 0.0000 0.4334 ( 7180 PWs) bands (ev): -3.9928 -3.9920 -2.2187 -2.2179 -1.9085 -1.9008 -1.5899 -1.5893 -0.3119 -0.2786 -0.0848 -0.0626 3.0091 3.0098 4.1886 4.1915 6.2611 6.2768 6.9475 6.9540 7.6554 7.7480 7.8723 8.0573 8.3868 8.4811 9.7271 9.7556 9.8349 9.8964 11.2344 11.3850 11.4687 11.5900 11.8548 12.0075 12.0939 12.1349 12.2032 12.2818 12.7329 12.7801 13.1061 13.2320 13.6202 13.6282 13.7995 13.8145 14.7164 14.7360 14.9272 14.9635 15.7064 15.7305 15.9986 16.0924 16.5257 16.5852 17.5250 17.6156 17.8181 17.9301 k = 0.0000 0.0000 0.4589 ( 7191 PWs) bands (ev): -3.9457 -3.9449 -2.3076 -2.3062 -1.8668 -1.8597 -1.5549 -1.5540 -0.4014 -0.3683 -0.1525 -0.1306 3.0816 3.0825 4.2908 4.2944 6.3172 6.3320 7.0612 7.0641 7.6888 7.8183 7.8877 8.1070 8.3146 8.4101 9.6152 9.6528 9.7689 9.7878 11.1152 11.2984 11.3561 11.5185 11.8316 11.9456 12.1270 12.1826 12.2110 12.2288 12.8314 12.8748 13.1773 13.2828 13.6749 13.6868 13.8304 13.8471 14.7391 14.7679 14.9187 14.9585 15.6631 15.6768 16.0119 16.1030 16.4584 16.5252 17.5087 17.5865 17.8307 17.9244 k = 0.0000 0.0000 0.4844 ( 7194 PWs) bands (ev): -3.8966 -3.8957 -2.3984 -2.3968 -1.8190 -1.8124 -1.5180 -1.5162 -0.4908 -0.4578 -0.2192 -0.1978 3.1479 3.1489 4.3916 4.3957 6.3736 6.3868 7.1684 7.1726 7.7011 7.8083 7.9739 8.1327 8.3054 8.3675 9.4592 9.5149 9.7298 9.7501 10.9838 11.1844 11.2400 11.4256 11.7889 11.8759 12.1142 12.1787 12.2681 12.2954 12.9337 12.9754 13.2397 13.3257 13.7278 13.7417 13.8582 13.8774 14.7553 14.7985 14.8995 14.9472 15.6211 15.6293 16.0285 16.1185 16.3967 16.4702 17.4947 17.5568 17.8356 17.9061 k = 0.0000 0.0000 0.5099 ( 7196 PWs) bands (ev): -3.8458 -3.8448 -2.4885 -2.4867 -1.7671 -1.7611 -1.4799 -1.4766 -0.5795 -0.5466 -0.2843 -0.2635 3.2075 3.2085 4.4898 4.4943 6.4298 6.4405 7.2674 7.2746 7.7038 7.7887 8.0400 8.1005 8.3705 8.3827 9.3057 9.3711 9.7032 9.7323 10.8441 11.0553 11.1155 11.3129 11.7466 11.8146 12.0952 12.1439 12.3626 12.3920 13.0370 13.0782 13.2934 13.3613 13.7741 13.7861 13.8860 13.9085 14.7592 14.8204 14.8784 14.9367 15.5815 15.5910 16.0456 16.1357 16.3411 16.4205 17.4829 17.5276 17.8236 17.8730 k = 0.0000 0.0000 0.5354 ( 7190 PWs) bands (ev): -3.7935 -3.7925 -2.5763 -2.5745 -1.7118 -1.7066 -1.4413 -1.4359 -0.6674 -0.6342 -0.3471 -0.3270 3.2601 3.2611 4.5837 4.5884 6.4852 6.4926 7.3578 7.3624 7.7039 7.7613 8.0648 8.0787 8.4231 8.4778 9.1664 9.2439 9.6852 9.7226 10.6987 10.9219 10.9790 11.1858 11.7110 11.7640 12.0780 12.1154 12.4610 12.4896 13.1389 13.1801 13.3395 13.3908 13.8072 13.8148 13.9183 13.9437 14.7450 14.8041 14.8861 14.9348 15.5468 15.5604 16.0617 16.1525 16.2917 16.3762 17.4730 17.5004 17.7940 17.8283 k = 0.0000 0.0000 0.5609 ( 7196 PWs) bands (ev): -3.7403 -3.7393 -2.6607 -2.6590 -1.6536 -1.6495 -1.4034 -1.3949 -0.7540 -0.7202 -0.4066 -0.3877 3.3055 3.3065 4.6715 4.6762 6.5391 6.5423 7.4274 7.4403 7.7059 7.7226 8.0517 8.1124 8.4854 8.5509 9.0588 9.1576 9.6740 9.7204 10.5502 10.7897 10.8320 11.0501 11.6824 11.7233 12.0632 12.0921 12.5578 12.5841 13.2365 13.2776 13.3805 13.4153 13.8229 13.8289 13.9560 13.9818 14.7125 14.7600 14.9137 14.9438 15.5185 15.5356 16.0755 16.1671 16.2490 16.3374 17.4635 17.4791 17.7505 17.7838 k = 0.0000 0.0000 0.5864 ( 7196 PWs) bands (ev): -3.6872 -3.6862 -2.7406 -2.7390 -1.5927 -1.5901 -1.3672 -1.3544 -0.8390 -0.8042 -0.4619 -0.4444 3.3439 3.3447 4.7512 4.7556 6.5890 6.5901 7.4624 7.5150 7.6752 7.7179 8.0646 8.1557 8.5077 8.5642 9.0146 9.1456 9.6693 9.7262 10.4011 10.6630 10.6779 10.9113 11.6599 11.6910 12.0509 12.0731 12.6494 12.6726 13.3242 13.3638 13.4231 13.4374 13.8244 13.8325 13.9950 14.0186 14.6682 14.7076 14.9430 14.9604 15.4963 15.5155 16.0866 16.1778 16.2140 16.3041 17.4487 17.4720 17.6984 17.7459 k = 0.0000 0.0000 0.6119 ( 7196 PWs) bands (ev): -3.6354 -3.6345 -2.8144 -2.8129 -1.5293 -1.5292 -1.3346 -1.3151 -0.9220 -0.8855 -0.5113 -0.4958 3.3751 3.3758 4.8204 4.8244 6.6317 6.6367 7.4677 7.5721 7.6390 7.7464 8.0946 8.2046 8.4641 8.5141 9.0527 9.2119 9.6713 9.7400 10.2542 10.5162 10.5501 10.7744 11.6427 11.6658 12.0413 12.0578 12.7326 12.7522 13.3873 13.4236 13.4638 13.4860 13.8171 13.8286 14.0312 14.0512 14.6189 14.6525 14.9694 14.9808 15.4796 15.4992 16.0948 16.1744 16.1968 16.2764 17.4351 17.4742 17.6471 17.7120 k = 0.0000 0.0000 0.6374 ( 7194 PWs) bands (ev): -3.5873 -3.5865 -2.8797 -2.8784 -1.4678 -1.4638 -1.3078 -1.2785 -1.0026 -0.9633 -0.5531 -0.5401 3.3994 3.3999 4.8772 4.8805 6.6690 6.6765 7.4561 7.5507 7.6836 7.7906 8.1226 8.2453 8.3852 8.4402 9.1442 9.3208 9.6806 9.7608 10.1141 10.3536 10.4537 10.6447 11.6302 11.6466 12.0341 12.0460 12.8041 12.8197 13.4199 13.4462 13.5211 13.5530 13.8051 13.8204 14.0626 14.0781 14.5708 14.5987 14.9915 15.0013 15.4680 15.4859 16.1007 16.1542 16.2003 16.2542 17.4281 17.4799 17.6032 17.6799 k = 0.0000 0.0000 0.6629 ( 7194 PWs) bands (ev): -3.5464 -3.5458 -2.9328 -2.9319 -1.4079 -1.3970 -1.2900 -1.2459 -1.0791 -1.0357 -0.5848 -0.5754 3.4166 3.4170 4.9196 4.9219 6.6993 6.7068 7.4428 7.5068 7.7589 7.8443 8.1238 8.2333 8.3388 8.3836 9.2563 9.4334 9.7025 9.7854 9.9889 10.1906 10.3853 10.5284 11.6221 11.6326 12.0295 12.0371 12.8602 12.8711 13.4379 13.4542 13.5787 13.6079 13.7931 13.8102 14.0879 14.0986 14.5301 14.5509 15.0093 15.0176 15.4614 15.4751 16.1052 16.1366 16.2054 16.2373 17.4290 17.4822 17.5755 17.6486 k = 0.0000 0.0000 0.6884 ( 7188 PWs) bands (ev): -3.5179 -3.5175 -2.9685 -2.9679 -1.3542 -1.3334 -1.2827 -1.2241 -1.1423 -1.0992 -0.6040 -0.5990 3.4270 3.4272 4.9460 4.9472 6.7203 6.7251 7.4378 7.4703 7.8361 7.8938 8.0943 8.1577 8.3484 8.3627 9.3691 9.4950 9.7618 9.8100 9.8940 10.0310 10.3560 10.4342 11.6183 11.6235 12.0274 12.0312 12.8971 12.9028 13.4489 13.4567 13.6213 13.6399 13.7870 13.7996 14.1057 14.1112 14.5038 14.5152 15.0220 15.0269 15.4593 15.4667 16.1095 16.1239 16.2104 16.2251 17.4378 17.4716 17.5735 17.6184 k = 0.0000 0.0000 0.7139 ( 7188 PWs) bands (ev): -3.5074 -3.5074 -2.9811 -2.9811 -1.3174 -1.3174 -1.2517 -1.2517 -1.1454 -1.1454 -0.6089 -0.6089 3.4305 3.4305 4.9553 4.9553 6.7295 6.7295 7.4465 7.4465 7.8957 7.8957 8.0950 8.0950 8.3576 8.3576 9.4618 9.4618 9.8368 9.8368 9.8837 9.8837 10.3732 10.3732 11.6188 11.6188 12.0280 12.0280 12.9118 12.9118 13.4548 13.4548 13.6435 13.6435 13.7904 13.7904 14.1139 14.1139 14.4983 14.4983 15.0283 15.0283 15.4613 15.4613 16.1152 16.1152 16.2166 16.2166 17.4534 17.4534 17.5915 17.5915 k = 0.0000 0.0000 0.7139 ( 7188 PWs) bands (ev): -3.5074 -3.5074 -2.9811 -2.9811 -1.3174 -1.3174 -1.2517 -1.2517 -1.1454 -1.1454 -0.6089 -0.6089 3.4305 3.4305 4.9553 4.9553 6.7295 6.7295 7.4465 7.4465 7.8957 7.8957 8.0950 8.0950 8.3576 8.3576 9.4618 9.4618 9.8368 9.8368 9.8837 9.8837 10.3732 10.3732 11.6188 11.6188 12.0280 12.0280 12.9118 12.9118 13.4548 13.4548 13.6435 13.6435 13.7904 13.7904 14.1139 14.1139 14.4983 14.4983 15.0283 15.0283 15.4613 15.4613 16.1152 16.1152 16.2166 16.2166 17.4534 17.4534 17.5915 17.5915 k = 0.0000 0.0258 0.7139 ( 7185 PWs) bands (ev): -3.5059 -3.5058 -2.9797 -2.9797 -1.3173 -1.3146 -1.2509 -1.2499 -1.1448 -1.1433 -0.6080 -0.6078 3.4287 3.4288 4.9552 4.9554 6.7307 6.7313 7.4467 7.4486 7.8938 7.8989 8.0931 8.0966 8.3549 8.3572 9.4377 9.4781 9.7986 9.8574 9.8770 9.8901 10.3624 10.3955 11.6036 11.6173 12.0134 12.0174 12.8980 12.9034 13.4416 13.4618 13.5916 13.6262 13.8021 13.8239 14.1050 14.1154 14.4966 14.4990 15.0240 15.0289 15.4598 15.4745 16.0983 16.1464 16.1904 16.2561 17.4399 17.4546 17.5779 17.6118 k = 0.0000 0.0517 0.7139 ( 7180 PWs) bands (ev): -3.5015 -3.5013 -2.9755 -2.9755 -1.3143 -1.3090 -1.2474 -1.2454 -1.1415 -1.1385 -0.6051 -0.6047 3.4232 3.4234 4.9552 4.9554 6.7348 6.7361 7.4491 7.4530 7.8931 7.9035 8.0910 8.0980 8.3493 8.3538 9.4059 9.4847 9.7524 9.8569 9.8688 9.8943 10.3652 10.4256 11.5730 11.5992 11.9756 11.9824 12.8621 12.8728 13.4132 13.4555 13.5124 13.5659 13.8412 13.8652 14.0920 14.1099 14.4921 14.4970 15.0159 15.0256 15.4717 15.4981 16.0973 16.1740 16.1951 16.3070 17.4193 17.4401 17.5753 17.6332 k = 0.0000 0.0775 0.7139 ( 7180 PWs) bands (ev): -3.4942 -3.4938 -2.9685 -2.9685 -1.3084 -1.3004 -1.2413 -1.2383 -1.1356 -1.1311 -0.6001 -0.5996 3.4141 3.4143 4.9551 4.9555 6.7420 6.7439 7.4536 7.4595 7.8935 7.9093 8.0882 8.0988 8.3409 8.3476 9.3662 9.4764 9.7089 9.8421 9.8589 9.8891 10.3810 10.4602 11.5291 11.5657 11.9188 11.9263 12.8044 12.8203 13.3502 13.3797 13.4736 13.5077 13.8785 13.8979 14.0811 14.1015 14.4801 14.4881 15.0035 15.0180 15.4977 15.5306 16.1127 16.1788 16.2481 16.3671 17.3948 17.4143 17.5813 17.6522 k = 0.0000 0.1033 0.7139 ( 7184 PWs) bands (ev): -3.4838 -3.4833 -2.9588 -2.9588 -1.2997 -1.2890 -1.2326 -1.2285 -1.1270 -1.1210 -0.5932 -0.5924 3.4012 3.4015 4.9549 4.9554 6.7521 6.7547 7.4603 7.4683 7.8945 7.9160 8.0844 8.0986 8.3304 8.3388 9.3185 9.4465 9.6788 9.8181 9.8430 9.8763 10.4062 10.4966 11.4746 11.5188 11.8483 11.8537 12.7262 12.7473 13.2483 13.2588 13.4493 13.4583 13.9055 13.9168 14.0790 14.0963 14.4555 14.4678 14.9855 15.0060 15.5373 15.5705 16.1451 16.1988 16.3094 16.4333 17.3690 17.3855 17.5906 17.6661 k = 0.0000 0.1292 0.7139 ( 7176 PWs) bands (ev): -3.4705 -3.4699 -2.9463 -2.9462 -1.2882 -1.2747 -1.2212 -1.2162 -1.1158 -1.1082 -0.5842 -0.5833 3.3844 3.3849 4.9544 4.9551 6.7652 6.7685 7.4691 7.4793 7.8956 7.9230 8.0789 8.0965 8.3184 8.3281 9.2636 9.3939 9.6662 9.7852 9.8152 9.8651 10.4370 10.5328 11.4127 11.4610 11.7684 11.7707 12.6294 12.6559 13.1220 13.1230 13.4017 13.4075 13.9147 13.9210 14.0879 14.1009 14.4154 14.4336 14.9610 14.9888 15.5879 15.6164 16.1941 16.2357 16.3739 16.5017 17.3448 17.3608 17.5999 17.6716 k = 0.0000 0.1550 0.7139 ( 7165 PWs) bands (ev): -3.4542 -3.4535 -2.9310 -2.9310 -1.2738 -1.2575 -1.2072 -1.2011 -1.1019 -1.0927 -0.5733 -0.5722 3.3637 3.3642 4.9535 4.9543 6.7812 6.7852 7.4799 7.4924 7.8958 7.9292 8.0716 8.0918 8.3060 8.3162 9.2025 9.3263 9.6654 9.7430 9.7745 9.8594 10.4698 10.5675 11.3465 11.3951 11.6778 11.6882 12.5166 12.5489 12.9763 12.9819 13.3292 13.3449 13.9022 13.9109 14.1010 14.1158 14.3616 14.3868 14.9290 14.9649 15.6450 15.6682 16.2568 16.2870 16.4404 16.5686 17.3265 17.3449 17.6080 17.6671 k = 0.0000 0.1808 0.7139 ( 7166 PWs) bands (ev): -3.4350 -3.4341 -2.9129 -2.9129 -1.2567 -1.2375 -1.1907 -1.1835 -1.0855 -1.0745 -0.5605 -0.5592 3.3387 3.3394 4.9520 4.9530 6.8000 6.8048 7.4925 7.5075 7.8936 7.9323 8.0630 8.0838 8.2945 8.3037 9.1374 9.2515 9.6652 9.6914 9.7281 9.8585 10.5025 10.5999 11.2788 11.3236 11.5837 11.6071 12.3908 12.4291 12.8218 12.8321 13.2397 13.2630 13.8738 13.8827 14.1042 14.1241 14.3053 14.3362 14.8890 14.9327 15.7027 15.7273 16.3214 16.3478 16.5138 16.6330 17.3187 17.3404 17.6159 17.6575 k = 0.0000 0.2067 0.7139 ( 7166 PWs) bands (ev): -3.4128 -3.4118 -2.8921 -2.8921 -1.2368 -1.2147 -1.1715 -1.1633 -1.0663 -1.0536 -0.5457 -0.5442 3.3095 3.3102 4.9496 4.9508 6.8217 6.8272 7.5068 7.5246 7.8868 7.9284 8.0552 8.0733 8.2843 8.2916 9.0704 9.1751 9.6255 9.6370 9.7074 9.8616 10.5336 10.6291 11.2116 11.2492 11.4903 11.5299 12.2550 12.2996 12.6612 12.6758 13.1353 13.1652 13.8304 13.8379 14.0730 14.0901 14.2765 14.3027 14.8410 14.8911 15.7583 15.7922 16.3626 16.4129 16.6052 16.7011 17.3234 17.3478 17.6262 17.6514 k = 0.0000 0.2325 0.7139 ( 7172 PWs) bands (ev): -3.3876 -3.3866 -2.8686 -2.8686 -1.2142 -1.1892 -1.1497 -1.1405 -1.0446 -1.0299 -0.5291 -0.5274 3.2757 3.2765 4.9461 4.9474 6.8461 6.8525 7.5226 7.5436 7.8722 7.9126 8.0499 8.0637 8.2741 8.2811 9.0041 9.1009 9.5534 9.5675 9.7164 9.8681 10.5620 10.6544 11.1462 11.1740 11.4008 11.4587 12.1122 12.1633 12.4960 12.5151 13.0188 13.0550 13.7707 13.7789 13.9930 14.0040 14.2834 14.2969 14.7852 14.8402 15.8126 15.8579 16.3736 16.4600 16.7191 16.7872 17.3398 17.3641 17.6412 17.6575 k = 0.0000 0.2583 0.7139 ( 7172 PWs) bands (ev): -3.3596 -3.3584 -2.8423 -2.8423 -1.1889 -1.1609 -1.1253 -1.1151 -1.0202 -1.0036 -0.5107 -0.5087 3.2371 3.2380 4.9410 4.9425 6.8732 6.8804 7.5395 7.5641 7.8468 7.8827 8.0430 8.0634 8.2610 8.2737 8.9409 9.0320 9.4707 9.4852 9.7321 9.8774 10.5871 10.6753 11.0824 11.0999 11.3183 11.3947 11.9654 12.0230 12.3279 12.3520 12.8929 12.9352 13.6941 13.7062 13.8785 13.8904 14.3000 14.3042 14.7226 14.7806 15.8647 15.9205 16.3603 16.4745 16.8489 16.8988 17.3645 17.3852 17.6617 17.6847 k = 0.0000 0.2842 0.7139 ( 7172 PWs) bands (ev): -3.3286 -3.3273 -2.8134 -2.8134 -1.1610 -1.1301 -1.0984 -1.0871 -0.9932 -0.9745 -0.4904 -0.4883 3.1937 3.1947 4.9340 4.9358 6.9029 6.9108 7.5568 7.5860 7.8091 7.8404 8.0346 8.0719 8.2446 8.2671 8.8831 8.9707 9.3792 9.3946 9.7501 9.8890 10.6082 10.6911 11.0189 11.0284 11.2454 11.3377 11.8178 11.8815 12.1582 12.1883 12.7602 12.8086 13.6010 13.6193 13.7454 13.7609 14.3102 14.3143 14.6541 14.7139 15.9119 15.9766 16.3305 16.4608 16.9830 17.0268 17.3939 17.4116 17.6938 17.7322 k = 0.0000 0.3100 0.7139 ( 7168 PWs) bands (ev): -3.2946 -3.2932 -2.7817 -2.7817 -1.1305 -1.0969 -1.0689 -1.0566 -0.9636 -0.9427 -0.4685 -0.4661 3.1452 3.1463 4.9247 4.9266 6.9350 6.9437 7.5731 7.6085 7.7604 7.7894 8.0267 8.0840 8.2242 8.2593 8.8325 8.9188 9.2812 9.2991 9.7690 9.9023 10.6247 10.7008 10.9537 10.9605 11.1840 11.2865 11.6731 11.7414 11.9884 12.0263 12.6227 12.6773 13.4914 13.5179 13.6013 13.6222 14.3104 14.3197 14.5808 14.6414 15.9485 16.0221 16.2936 16.4300 17.1051 17.1521 17.4259 17.4513 17.7434 17.7988 k = 0.0000 0.3358 0.7139 ( 7164 PWs) bands (ev): -3.2578 -3.2563 -2.7474 -2.7474 -1.0975 -1.0613 -1.0367 -1.0236 -0.9313 -0.9081 -0.4449 -0.4423 3.0914 3.0926 4.9125 4.9146 6.9695 6.9785 7.5845 7.6290 7.7049 7.7352 8.0178 8.0968 8.1988 8.2484 8.7897 8.8766 9.1800 9.2025 9.7880 9.9166 10.6356 10.7038 10.8868 10.8942 11.1345 11.2380 11.5366 11.6050 11.8206 11.8687 12.4822 12.5432 13.3647 13.4006 13.4520 13.4800 14.3011 14.3150 14.5038 14.5645 15.9637 16.0506 16.2626 16.3943 17.1977 17.2529 17.4643 17.5081 17.8098 17.8797 k = 0.0000 0.3617 0.7139 ( 7156 PWs) bands (ev): -3.2181 -3.2165 -2.7105 -2.7104 -1.0621 -1.0237 -1.0020 -0.9879 -0.8964 -0.8708 -0.4197 -0.4168 3.0323 3.0336 4.8968 4.8991 7.0059 7.0149 7.5779 7.6193 7.6731 7.6927 8.0063 8.1080 8.1684 8.2332 8.7532 8.8417 9.0809 9.1110 9.8063 9.9309 10.6396 10.6986 10.8177 10.8290 11.0945 11.1861 11.4157 11.4745 11.6574 11.7200 12.3404 12.4081 13.2217 13.2613 13.3073 13.3379 14.2804 14.2986 14.4251 14.4842 15.9434 16.0525 16.2520 16.3686 17.2566 17.3172 17.5088 17.5693 17.8655 17.9503 k = 0.0000 0.3875 0.7139 ( 7154 PWs) bands (ev): -3.1755 -3.1738 -2.6709 -2.6709 -1.0243 -0.9843 -0.9646 -0.9497 -0.8588 -0.8307 -0.3929 -0.3898 2.9678 2.9691 4.8770 4.8795 7.0440 7.0520 7.5345 7.5566 7.6814 7.6894 7.9910 8.1140 8.1345 8.2119 8.7190 8.8066 8.9941 9.0332 9.8230 9.9441 10.6325 10.6800 10.7489 10.7672 11.0588 11.1235 11.3169 11.3521 11.5045 11.5861 12.1988 12.2738 13.0661 13.1022 13.1693 13.1958 14.2451 14.2688 14.3486 14.4022 15.8864 16.0186 16.2648 16.3648 17.2933 17.3542 17.5497 17.6183 17.8982 18.0149 k = 0.0000 0.4133 0.7139 ( 7149 PWs) bands (ev): -3.1301 -3.1282 -2.6288 -2.6287 -0.9843 -0.9432 -0.9246 -0.9088 -0.8184 -0.7878 -0.3648 -0.3613 2.8978 2.8992 4.8523 4.8550 7.0826 7.0881 7.4674 7.4867 7.6897 7.7102 7.9720 8.0921 8.1179 8.1822 8.6819 8.7587 8.9349 8.9795 9.8366 9.9548 10.6022 10.6321 10.6953 10.7169 11.0162 11.0542 11.2212 11.2494 11.3766 11.4741 12.0589 12.1417 12.9028 12.9351 13.0303 13.0522 14.1879 14.2242 14.2812 14.3217 15.8045 15.9515 16.2931 16.3806 17.3186 17.3769 17.5827 17.6517 17.9203 18.0509 k = 0.0000 0.4392 0.7139 ( 7147 PWs) bands (ev): -3.0818 -3.0798 -2.5841 -2.5840 -0.9420 -0.9007 -0.8824 -0.8653 -0.7752 -0.7422 -0.3353 -0.3315 2.8224 2.8239 4.8223 4.8251 7.1160 7.1228 7.3933 7.4207 7.7021 7.7282 7.9499 8.0512 8.1051 8.1433 8.6410 8.6974 8.9082 8.9551 9.8456 9.9606 10.5349 10.5585 10.6594 10.6817 10.9511 10.9919 11.1224 11.1520 11.2988 11.3882 11.9220 12.0134 12.7357 12.7654 12.8889 12.9071 14.1077 14.1633 14.2201 14.2502 15.7077 15.8626 16.3287 16.4068 17.3375 17.3917 17.6091 17.6737 17.9347 18.0701 k = 0.0000 0.4650 0.7139 ( 7144 PWs) bands (ev): -3.0307 -3.0286 -2.5368 -2.5368 -0.8976 -0.8565 -0.8380 -0.8192 -0.7291 -0.6939 -0.3045 -0.3004 2.7416 2.7433 4.7860 4.7889 7.1297 7.1541 7.3229 7.3711 7.7122 7.7395 7.9235 8.0053 8.0702 8.1066 8.6018 8.6399 8.9034 8.9545 9.8475 9.9586 10.4493 10.4723 10.6243 10.6436 10.8767 10.9178 11.0399 11.0659 11.2587 11.3270 11.7897 11.8905 12.5677 12.5962 12.7465 12.7618 14.0143 14.0835 14.1588 14.1890 15.6017 15.7604 16.3671 16.4371 17.3508 17.4007 17.6308 17.6877 17.9434 18.0787 k = 0.0000 0.4908 0.7139 ( 7138 PWs) bands (ev): -2.9769 -2.9746 -2.4871 -2.4871 -0.8513 -0.8108 -0.7918 -0.7707 -0.6801 -0.6428 -0.2726 -0.2682 2.6558 2.6576 4.7429 4.7459 7.1104 7.1559 7.2815 7.3545 7.7156 7.7400 7.8856 7.9487 8.0255 8.0798 8.5701 8.5984 8.9117 8.9690 9.8392 9.9446 10.3622 10.3828 10.5748 10.5873 10.8042 10.8420 10.9651 11.0181 11.2306 11.2841 11.6639 11.7742 12.4017 12.4298 12.6048 12.6185 13.9135 13.9903 14.0972 14.1297 15.4899 15.6501 16.4060 16.4687 17.3577 17.4034 17.6490 17.6953 17.9497 18.0801 k = 0.0000 0.5167 0.7139 ( 7140 PWs) bands (ev): -2.9203 -2.9179 -2.4350 -2.4349 -0.8030 -0.7634 -0.7438 -0.7201 -0.6281 -0.5890 -0.2397 -0.2348 2.5651 2.5669 4.6924 4.6953 7.0591 7.1040 7.2924 7.3692 7.7045 7.7255 7.8317 7.8758 8.0045 8.0601 8.5482 8.5729 8.9279 8.9923 9.8176 9.9143 10.2793 10.3010 10.5041 10.5068 10.7445 10.7849 10.9104 10.9821 11.2031 11.2514 11.5467 11.6656 12.2407 12.2687 12.4656 12.4805 13.8077 13.8895 14.0341 14.0684 15.3748 15.5350 16.4442 16.4999 17.3559 17.3977 17.6641 17.6977 17.9572 18.0776 k = 0.0000 0.5425 0.7139 ( 7142 PWs) bands (ev): -2.8609 -2.8584 -2.3806 -2.3804 -0.7530 -0.7144 -0.6942 -0.6677 -0.5731 -0.5326 -0.2059 -0.2006 2.4697 2.4717 4.6340 4.6369 6.9920 7.0309 7.3204 7.3953 7.6617 7.6921 7.7827 7.8052 8.0047 8.0500 8.5354 8.5570 8.9480 9.0209 9.7810 9.8658 10.2013 10.2345 10.4108 10.4210 10.7003 10.7451 10.8688 10.9483 11.1701 11.2209 11.4418 11.5654 12.0884 12.1160 12.3317 12.3510 13.6978 13.7836 13.9692 14.0049 15.2583 15.4173 16.4811 16.5302 17.3431 17.3803 17.6764 17.6973 17.9689 18.0743 k = 0.0000 0.5683 0.7139 ( 7136 PWs) bands (ev): -2.7989 -2.7963 -2.3238 -2.3236 -0.7014 -0.6638 -0.6430 -0.6137 -0.5151 -0.4737 -0.1713 -0.1656 2.3702 2.3723 4.5675 4.5703 6.9192 6.9538 7.3382 7.4050 7.6009 7.6385 7.7515 7.7601 8.0133 8.0502 8.5283 8.5451 8.9693 9.0522 9.7311 9.8031 10.1277 10.1818 10.3133 10.3404 10.6638 10.7123 10.8318 10.9120 11.1260 11.1860 11.3541 11.4738 11.9500 11.9751 12.2066 12.2331 13.5846 13.6737 13.9034 13.9401 15.1422 15.2988 16.5160 16.5588 17.3170 17.3481 17.6863 17.6971 17.9861 18.0733 k = 0.0000 0.5942 0.7139 ( 7135 PWs) bands (ev): -2.7342 -2.7315 -2.2647 -2.2646 -0.6483 -0.6118 -0.5902 -0.5583 -0.4542 -0.4124 -0.1361 -0.1299 2.2669 2.2692 4.4928 4.4954 6.8450 6.8766 7.3191 7.3556 7.5811 7.5983 7.7287 7.7328 8.0228 8.0594 8.5233 8.5334 8.9887 9.0836 9.6738 9.7345 10.0564 10.1370 10.2254 10.2709 10.6273 10.6772 10.7934 10.8684 11.0679 11.1410 11.2875 11.3925 11.8310 11.8501 12.0939 12.1294 13.4688 13.5603 13.8375 13.8749 15.0278 15.1812 16.5485 16.5853 17.2761 17.2996 17.6944 17.6995 18.0086 18.0762 k = 0.0000 0.6200 0.7139 ( 7127 PWs) bands (ev): -2.6669 -2.6641 -2.2035 -2.2034 -0.5940 -0.5585 -0.5359 -0.5017 -0.3907 -0.3489 -0.1004 -0.0937 2.1605 2.1629 4.4099 4.4124 6.7708 6.8003 7.2477 7.2553 7.5975 7.6028 7.7075 7.7157 8.0306 8.0735 8.5177 8.5195 9.0037 9.1124 9.6167 9.6688 9.9880 10.0924 10.1562 10.2132 10.5841 10.6312 10.7496 10.8113 11.0014 11.0807 11.2403 11.3258 11.7351 11.7461 11.9969 12.0416 13.3508 13.4441 13.7728 13.8105 14.9168 15.0660 16.5778 16.6091 17.2196 17.2364 17.7015 17.7050 18.0351 18.0831 k = 0.0000 0.6458 0.7139 ( 7124 PWs) bands (ev): -2.5970 -2.5941 -2.1403 -2.1401 -0.5386 -0.5041 -0.4801 -0.4440 -0.3249 -0.2834 -0.0644 -0.0570 2.0515 2.0540 4.3193 4.3217 6.6969 6.7249 7.1362 7.1464 7.6133 7.6283 7.6804 7.7238 8.0370 8.0879 8.5027 8.5100 9.0115 9.1353 9.5671 9.6130 9.9264 10.0457 10.1099 10.1649 10.5275 10.5669 10.6964 10.7364 10.9365 11.0035 11.2091 11.2791 11.6580 11.6719 11.9169 11.9702 13.2315 13.3255 13.7102 13.7478 14.8104 14.9544 16.6030 16.6294 17.1480 17.1621 17.7079 17.7122 18.0634 18.0930 k = 0.0000 0.6717 0.7139 ( 7124 PWs) bands (ev): -2.5247 -2.5216 -2.0751 -2.0748 -0.4823 -0.4490 -0.4229 -0.3851 -0.2572 -0.2164 -0.0280 -0.0201 1.9406 1.9433 4.2215 4.2236 6.6233 6.6498 7.0139 7.0316 7.5990 7.6368 7.6800 7.7587 8.0423 8.0996 8.4841 8.4997 9.0104 9.1489 9.5301 9.5717 9.8755 10.0058 10.0783 10.1247 10.4516 10.4825 10.6271 10.6453 10.8770 10.9182 11.1925 11.2525 11.6001 11.6256 11.8537 11.9137 13.1115 13.2052 13.6506 13.6880 14.7099 14.8477 16.6230 16.6449 17.0637 17.0802 17.7139 17.7196 18.0840 18.1097 k = 0.0000 0.6975 0.7139 ( 7122 PWs) bands (ev): -2.4499 -2.4467 -2.0080 -2.0077 -0.4256 -0.3935 -0.3642 -0.3253 -0.1880 -0.1484 0.0085 0.0170 1.8287 1.8316 4.1170 4.1190 6.5494 6.5744 6.8914 6.9137 7.5666 7.5953 7.7250 7.8052 8.0471 8.1068 8.4659 8.4873 9.0007 9.1522 9.5075 9.5465 9.8384 9.9787 10.0544 10.0926 10.3524 10.3834 10.5346 10.5453 10.8207 10.8372 11.1890 11.2433 11.5634 11.5986 11.8054 11.8699 12.9918 13.0838 13.5950 13.6317 14.6167 14.7473 16.6353 16.6533 16.9722 16.9934 17.7190 17.7252 18.0829 18.1384 k = 0.0000 0.7233 0.7139 ( 7122 PWs) bands (ev): -2.3727 -2.3695 -1.9392 -1.9390 -0.3686 -0.3379 -0.3042 -0.2645 -0.1184 -0.0804 0.0454 0.0543 1.7170 1.7200 4.0068 4.0086 6.4745 6.4980 6.7712 6.7964 7.5207 7.5401 7.7735 7.8528 8.0525 8.1089 8.4514 8.4738 8.9844 9.1476 9.4973 9.5347 9.8175 9.9614 10.0361 10.0679 10.2344 10.2750 10.4276 10.4395 10.7637 10.7653 11.1970 11.2487 11.5442 11.5848 11.7703 11.8361 12.8734 12.9622 13.5438 13.5796 14.5318 14.6544 16.6352 16.6491 16.8814 16.9073 17.7227 17.7273 18.0608 18.1675 k = 0.0000 0.7492 0.7139 ( 7122 PWs) bands (ev): -2.2933 -2.2899 -1.8689 -1.8686 -0.3118 -0.2827 -0.2429 -0.2030 -0.0493 -0.0140 0.0833 0.0920 1.6067 1.6099 3.8916 3.8933 6.3981 6.4201 6.6547 6.6819 7.4614 7.4722 7.8207 7.8954 8.0603 8.1070 8.4436 8.4609 8.9653 9.1401 9.4961 9.5300 9.8131 9.9409 10.0152 10.0498 10.1094 10.1631 10.3178 10.3432 10.6973 10.7053 11.2141 11.2659 11.5363 11.5770 11.7482 11.8111 12.7576 12.8415 13.4977 13.5323 14.4564 14.5701 16.6118 16.6194 16.8054 16.8343 17.7230 17.7253 18.0202 18.1741 k = 0.0000 0.7750 0.7139 ( 7128 PWs) bands (ev): -2.2117 -2.2082 -1.7973 -1.7970 -0.2557 -0.2283 -0.1805 -0.1408 0.0174 0.0480 0.1234 0.1308 1.4996 1.5029 3.7724 3.7739 6.3198 6.3403 6.5429 6.5716 7.3880 7.3923 7.8627 7.9269 8.0712 8.1059 8.4428 8.4524 8.9473 9.1345 9.5006 9.5254 9.8191 9.8974 9.9482 9.9942 10.0290 10.0857 10.2242 10.2821 10.6322 10.6429 11.2375 11.2918 11.5325 11.5673 11.7411 11.7949 12.6458 12.7231 13.4569 13.4899 14.3914 14.4954 16.5504 16.5524 16.7593 16.7878 17.7123 17.7239 17.9677 18.1390 k = 0.0000 0.8008 0.7139 ( 7136 PWs) bands (ev): -2.1280 -2.1244 -1.7246 -1.7242 -0.2008 -0.1753 -0.1173 -0.0781 0.0787 0.1014 0.1666 0.1731 1.3982 1.4016 3.6500 3.6514 6.2395 6.2585 6.4365 6.4663 7.2985 7.3044 7.8928 7.9414 8.0812 8.1181 8.4404 8.4594 8.9333 9.1336 9.5021 9.5164 9.8028 9.8228 9.8414 9.8864 9.9654 10.0997 10.1749 10.2666 10.5683 10.5772 11.2636 11.3229 11.5254 11.5501 11.7500 11.7894 12.5404 12.6092 13.4215 13.4526 14.3374 14.4312 16.4534 16.4613 16.7350 16.7625 17.6919 17.7192 17.9096 18.0981 k = 0.0000 0.8267 0.7139 ( 7134 PWs) bands (ev): -2.0424 -2.0387 -1.6512 -1.6507 -0.1479 -0.1244 -0.0537 -0.0152 0.1304 0.1447 0.2104 0.2217 1.3059 1.3091 3.5254 3.5267 6.1577 6.1751 6.3357 6.3663 7.1972 7.2075 7.9019 7.9361 8.0959 8.1473 8.4408 8.4784 8.9252 9.1378 9.4689 9.5079 9.7021 9.7424 9.7620 9.7667 9.9621 10.1211 10.1812 10.2838 10.5074 10.5099 11.2877 11.3553 11.5081 11.5274 11.7715 11.7962 12.4441 12.5027 13.3914 13.4204 14.2949 14.3782 16.3437 16.3547 16.7170 16.7439 17.6615 17.7096 17.8494 18.0555 k = 0.0000 0.8525 0.7139 ( 7133 PWs) bands (ev): -1.9550 -1.9512 -1.5774 -1.5769 -0.0976 -0.0762 0.0097 0.0472 0.1686 0.1817 0.2544 0.2701 1.2274 1.2301 3.3995 3.4007 6.0752 6.0911 6.2405 6.2718 7.0881 7.1018 7.8868 7.9110 8.1256 8.1847 8.4484 8.5030 8.9229 9.1423 9.3980 9.4667 9.5758 9.6332 9.6904 9.7277 9.9950 10.1335 10.2270 10.3185 10.4429 10.4567 11.3024 11.3825 11.4794 11.5060 11.7990 11.8148 12.3608 12.4086 13.3663 13.3929 14.2642 14.3367 16.2294 16.2414 16.6983 16.7244 17.6220 17.6930 17.7891 17.9826 k = 0.0000 0.8783 0.7139 ( 7136 PWs) bands (ev): -1.8660 -1.8622 -1.5037 -1.5031 -0.0511 -0.0319 0.0713 0.1083 0.1940 0.2139 0.2950 0.3119 1.1688 1.1704 3.2730 3.2742 5.9931 6.0075 6.1508 6.1828 6.9734 6.9894 7.8527 7.8701 8.1662 8.2255 8.4631 8.5277 8.9238 9.1285 9.3212 9.3830 9.4431 9.5067 9.6874 9.7279 10.0266 10.1476 10.2850 10.3485 10.3942 10.4282 11.2974 11.3906 11.4515 11.4908 11.8263 11.8425 12.2957 12.3337 13.3458 13.3698 14.2452 14.3069 16.1139 16.1258 16.6760 16.7006 17.5750 17.6673 17.7288 17.8897 k = 0.0000 0.9042 0.7139 ( 7142 PWs) bands (ev): -1.7758 -1.7718 -1.4308 -1.4301 -0.0096 0.0074 0.1255 0.1664 0.2068 0.2427 0.3290 0.3450 1.1358 1.1367 3.1470 3.1482 5.9123 5.9252 6.0667 6.0992 6.8549 6.8723 7.8051 7.8183 8.2110 8.2672 8.4824 8.5455 8.9213 9.0636 9.2605 9.2872 9.3373 9.4016 9.7062 9.7478 10.0325 10.1655 10.3134 10.3498 10.4092 10.4514 11.2669 11.3629 11.4373 11.4831 11.8528 11.8731 12.2547 12.2859 13.3293 13.3506 14.2375 14.2885 15.9995 16.0103 16.6493 16.6715 17.5225 17.6300 17.6678 17.7946 k = 0.0000 0.9300 0.7139 ( 7142 PWs) bands (ev): -1.6846 -1.6806 -1.3595 -1.3587 0.0255 0.0400 0.1552 0.2030 0.2225 0.2793 0.3574 0.3736 1.1309 1.1338 3.0223 3.0234 5.8338 5.8451 5.9883 6.0215 6.7342 6.7524 7.7481 7.7590 8.2538 8.3068 8.5023 8.5476 8.9046 8.9641 9.1588 9.1712 9.3338 9.3460 9.7257 9.7736 10.0116 10.1666 10.3136 10.3878 10.4605 10.5099 11.2156 11.3149 11.4204 11.4711 11.8811 11.9038 12.2423 12.2697 13.3163 13.3348 14.2406 14.2809 15.8875 15.8966 16.6179 16.6367 17.4653 17.5739 17.6130 17.7019 k = 0.0000 0.9558 0.7139 ( 7145 PWs) bands (ev): -1.5931 -1.5890 -1.2907 -1.2899 0.0510 0.0626 0.1495 0.1825 0.2802 0.3295 0.3841 0.4036 1.1543 1.1595 2.8998 2.9010 5.7580 5.7676 5.9166 5.9504 6.6125 6.6313 7.6848 7.6950 8.2856 8.3370 8.5170 8.5295 8.8451 8.8769 9.0519 9.0803 9.3274 9.3759 9.7330 9.7871 9.9938 10.1462 10.3566 10.4236 10.5334 10.5770 11.1522 11.2588 11.3905 11.4451 11.9154 11.9375 12.2576 12.2818 13.3060 13.3217 14.2537 14.2833 15.7796 15.7862 16.5819 16.5963 17.4026 17.4975 17.5690 17.6152 k = 0.0000 0.9817 0.7139 ( 7136 PWs) bands (ev): -1.5020 -1.4980 -1.2258 -1.2249 0.0584 0.0655 0.1304 0.1574 0.3365 0.3832 0.4140 0.4384 1.2012 1.2082 2.7807 2.7819 5.6849 5.6930 5.8525 5.8869 6.4912 6.5100 7.6177 7.6283 8.2888 8.3369 8.5001 8.5318 8.7437 8.7957 8.9760 9.0442 9.3525 9.4144 9.7157 9.7755 10.0087 10.1353 10.4152 10.4630 10.6121 10.6467 11.0837 11.1972 11.3508 11.4071 11.9583 11.9780 12.2937 12.3147 13.2979 13.3109 14.2758 14.2944 15.6771 15.6807 16.5414 16.5509 17.3327 17.4119 17.5259 17.5437 k = 0.0000 1.0075 0.7139 ( 7129 PWs) bands (ev): -1.4131 -1.4092 -1.1659 -1.1649 0.0344 0.0372 0.1260 0.1467 0.3867 0.4245 0.4577 0.4802 1.2656 1.2736 2.6661 2.6671 5.6147 5.6216 5.7971 5.8318 6.3712 6.3899 7.5487 7.5605 8.2455 8.2811 8.4854 8.5428 8.6428 8.7057 8.9503 9.0549 9.3955 9.4405 9.6713 9.7611 10.0527 10.1453 10.4715 10.5059 10.6900 10.7140 11.0168 11.1330 11.3111 11.3663 12.0092 12.0260 12.3430 12.3611 13.2914 13.3018 14.3054 14.3129 15.5807 15.5825 16.4969 16.5015 17.2543 17.3220 17.4688 17.5057 k = 0.0000 1.0333 0.7139 ( 7131 PWs) bands (ev): -1.3295 -1.3260 -1.1112 -1.1104 -0.0079 -0.0049 0.1297 0.1459 0.4271 0.4521 0.5129 0.5305 1.3418 1.3504 2.5571 2.5582 5.5476 5.5536 5.7512 5.7859 6.2533 6.2719 7.4793 7.4931 8.1615 8.1857 8.4417 8.4797 8.6215 8.6579 8.9665 9.0903 9.4291 9.4380 9.6290 9.7696 10.1085 10.1717 10.5140 10.5526 10.7571 10.7693 10.9615 11.0776 11.2812 11.3340 12.0662 12.0803 12.4000 12.4156 13.2861 13.2939 14.3369 14.3413 15.4899 15.4961 16.4472 16.4506 17.1694 17.2298 17.4200 17.4804 k = 0.0000 1.0592 0.7139 ( 7132 PWs) bands (ev): -1.2586 -1.2560 -1.0589 -1.0581 -0.0469 -0.0441 0.1308 0.1443 0.4570 0.4737 0.5703 0.5864 1.4258 1.4344 2.4556 2.4565 5.4841 5.4894 5.7153 5.7497 6.1385 6.1569 7.4107 7.4271 8.0555 8.0733 8.3456 8.3599 8.6591 8.6696 9.0076 9.1370 9.3946 9.4185 9.6399 9.8093 10.1618 10.2074 10.5445 10.5944 10.7706 10.8033 10.9455 11.0596 11.2690 11.3210 12.1270 12.1389 12.4609 12.4742 13.2818 13.2871 14.3643 14.3814 15.4090 15.4215 16.3922 16.4002 17.0815 17.1369 17.3834 17.4627 k = 0.0000 1.0850 0.7139 ( 7134 PWs) bands (ev): -1.2130 -1.2115 -1.0012 -0.9993 -0.0727 -0.0705 0.1268 0.1384 0.4778 0.4894 0.6283 0.6440 1.5138 1.5222 2.3633 2.3641 5.4249 5.4297 5.6895 5.7236 6.0276 6.0458 7.3440 7.3636 7.9398 7.9541 8.2291 8.2344 8.6945 8.7109 9.0608 9.1820 9.3335 9.3670 9.7026 9.8706 10.1934 10.2522 10.5697 10.6254 10.7159 10.7983 10.9873 11.0978 11.2825 11.3320 12.1899 12.2001 12.5232 12.5341 13.2780 13.2812 14.3929 14.4236 15.3410 15.3609 16.3355 16.3485 16.9937 17.0449 17.3575 17.4524 k = 0.0000 1.1108 0.7139 ( 7123 PWs) bands (ev): -1.2033 -1.2015 -0.9307 -0.9275 -0.0803 -0.0786 0.1172 0.1271 0.4896 0.4980 0.6859 0.7012 1.6026 1.6103 2.2831 2.2839 5.3707 5.3751 5.6737 5.7073 5.9216 5.9396 7.2797 7.3032 7.8210 7.8329 8.1088 8.1101 8.7256 8.7539 9.1115 9.1892 9.2723 9.3464 9.7843 9.9422 10.1963 10.2969 10.5876 10.6253 10.6714 10.7703 11.0558 11.1701 11.3244 11.3659 12.2536 12.2623 12.5848 12.5932 13.2742 13.2767 14.4202 14.4653 15.2889 15.3173 16.2786 16.2963 16.9081 16.9552 17.3409 17.4496 k = 0.0000 1.1108 0.7139 ( 7123 PWs) bands (ev): -1.2033 -1.2015 -0.9307 -0.9275 -0.0803 -0.0786 0.1172 0.1271 0.4896 0.4980 0.6859 0.7012 1.6026 1.6103 2.2831 2.2839 5.3707 5.3751 5.6737 5.7073 5.9216 5.9396 7.2797 7.3032 7.8210 7.8329 8.1088 8.1101 8.7256 8.7539 9.1115 9.1892 9.2723 9.3464 9.7843 9.9422 10.1963 10.2969 10.5876 10.6253 10.6714 10.7703 11.0558 11.1701 11.3244 11.3659 12.2536 12.2623 12.5848 12.5932 13.2742 13.2767 14.4202 14.4653 15.2889 15.3173 16.2786 16.2963 16.9081 16.9552 17.3409 17.4496 k = 0.0000 1.1178 0.6903 ( 7128 PWs) bands (ev): -1.2347 -1.2330 -0.8680 -0.8648 -0.0880 -0.0867 0.1024 0.1118 0.4900 0.4979 0.7167 0.7314 1.6159 1.6234 2.2715 2.2725 5.3327 5.3408 5.6667 5.6997 5.9172 5.9378 7.2463 7.2702 7.7672 7.7786 8.1005 8.1129 8.7248 8.7595 9.1207 9.1821 9.2727 9.3578 9.7956 9.9434 10.2146 10.3251 10.5959 10.6367 10.6709 10.7687 11.0641 11.1860 11.3384 11.3671 12.2809 12.2879 12.6088 12.6240 13.2560 13.2585 14.4089 14.4563 15.2915 15.3227 16.2704 16.2883 16.8937 16.9362 17.3477 17.4509 k = 0.0000 1.1248 0.6667 ( 7135 PWs) bands (ev): -1.2642 -1.2626 -0.8100 -0.8069 -0.0907 -0.0896 0.0871 0.0958 0.4886 0.4960 0.7481 0.7621 1.6283 1.6356 2.2631 2.2642 5.2820 5.2929 5.6628 5.6955 5.9281 5.9521 7.2040 7.2300 7.6730 7.6992 8.1417 8.1582 8.7115 8.7533 9.1254 9.1713 9.2740 9.3671 9.7855 9.9227 10.2532 10.3704 10.5720 10.6554 10.6948 10.7651 11.0597 11.2093 11.3732 11.3871 12.2872 12.3066 12.6313 12.6536 13.2435 13.2460 14.3992 14.4498 15.3020 15.3372 16.2702 16.2908 16.8882 16.9310 17.3631 17.4619 k = 0.0000 1.1318 0.6431 ( 7128 PWs) bands (ev): -1.2917 -1.2903 -0.7579 -0.7550 -0.0873 -0.0864 0.0717 0.0796 0.4859 0.4927 0.7793 0.7925 1.6392 1.6463 2.2575 2.2587 5.2249 5.2377 5.6625 5.6950 5.9478 5.9744 7.1544 7.1836 7.5765 7.6123 8.2043 8.2210 8.6872 8.7361 9.1268 9.1569 9.2754 9.3746 9.7631 9.8884 10.3035 10.4228 10.5446 10.6580 10.7331 10.7615 11.0529 11.2156 11.4290 11.4405 12.2793 12.3101 12.6518 12.6815 13.2356 13.2377 14.3893 14.4432 15.3231 15.3636 16.2775 16.3025 16.8927 16.9409 17.3847 17.4802 k = 0.0000 1.1388 0.6195 ( 7133 PWs) bands (ev): -1.3171 -1.3158 -0.7128 -0.7101 -0.0772 -0.0764 0.0567 0.0638 0.4819 0.4881 0.8097 0.8220 1.6484 1.6551 2.2542 2.2554 5.1669 5.1808 5.6658 5.6981 5.9698 5.9982 7.0995 7.1322 7.4889 7.5315 8.2754 8.2916 8.6526 8.7079 9.1258 9.1386 9.2776 9.3823 9.7362 9.8483 10.3540 10.4665 10.5309 10.6458 10.7605 10.7747 11.0516 11.2045 11.5007 11.5223 12.2583 12.2994 12.6710 12.7077 13.2300 13.2313 14.3780 14.4344 15.3566 15.4034 16.2911 16.3217 16.9081 16.9654 17.4092 17.5001 k = 0.0000 1.1458 0.5960 ( 7139 PWs) bands (ev): -1.3405 -1.3393 -0.6755 -0.6730 -0.0601 -0.0594 0.0424 0.0488 0.4770 0.4825 0.8389 0.8503 1.6557 1.6620 2.2525 2.2538 5.1118 5.1262 5.6723 5.7045 5.9887 6.0181 7.0416 7.0773 7.4160 7.4631 8.3487 8.3648 8.6095 8.6687 9.1166 9.1245 9.2823 9.3916 9.7089 9.8078 10.3850 10.4780 10.5585 10.6217 10.7720 10.8121 11.0583 11.1870 11.5824 11.6174 12.2265 12.2777 12.6893 12.7324 13.2239 13.2246 14.3658 14.4232 15.4018 15.4557 16.3096 16.3468 16.9345 17.0029 17.4322 17.5104 k = 0.0000 1.1528 0.5724 ( 7132 PWs) bands (ev): -1.3617 -1.3606 -0.6459 -0.6437 -0.0365 -0.0360 0.0293 0.0347 0.4713 0.4762 0.8664 0.8768 1.6612 1.6671 2.2518 2.2531 5.0622 5.0767 5.6818 5.7138 6.0000 6.0302 6.9833 7.0203 7.3618 7.4108 8.4153 8.4332 8.5662 8.6209 9.0961 9.1219 9.2902 9.4025 9.6829 9.7700 10.3748 10.4938 10.5568 10.6369 10.7947 10.8475 11.0714 11.1712 11.6668 11.7161 12.1874 12.2502 12.7071 12.7546 13.2146 13.2164 14.3545 14.4113 15.4553 15.5164 16.3318 16.3767 16.9706 17.0508 17.4490 17.4980 k = 0.0000 1.1597 0.5488 ( 7130 PWs) bands (ev): -1.3808 -1.3798 -0.6235 -0.6217 -0.0087 -0.0083 0.0187 0.0226 0.4650 0.4693 0.8920 0.9014 1.6651 1.6705 2.2514 2.2526 5.0198 5.0340 5.6936 5.7256 6.0010 6.0317 6.9268 6.9629 7.3290 7.3775 8.4304 8.4764 8.5638 8.5857 9.0792 9.1205 9.3011 9.4144 9.6590 9.7366 10.3404 10.4730 10.5540 10.6853 10.8292 10.8805 11.0877 11.1623 11.7448 11.8102 12.1467 12.2243 12.7234 12.7733 13.2015 13.2046 14.3477 14.4019 15.5112 15.5785 16.3574 16.4110 17.0138 17.1044 17.4571 17.4687 k = 0.0000 1.1667 0.5252 ( 7138 PWs) bands (ev): -1.3976 -1.3968 -0.6074 -0.6059 0.0015 0.0063 0.0287 0.0305 0.4582 0.4619 0.9153 0.9236 1.6678 1.6726 2.2508 2.2519 4.9853 4.9988 5.7072 5.7391 5.9907 6.0218 6.8733 6.9065 7.3187 7.3648 8.3743 8.4414 8.6080 8.6278 9.0691 9.1217 9.3144 9.4262 9.6374 9.7081 10.2977 10.4103 10.5780 10.7266 10.8744 10.9144 11.1044 11.1634 11.8055 11.8867 12.1169 12.2105 12.7364 12.7867 13.1845 13.1889 14.3488 14.3988 15.5618 15.6327 16.3879 16.4509 17.0594 17.1538 17.4416 17.4625 k = 0.0000 1.1737 0.5016 ( 7130 PWs) bands (ev): -1.4123 -1.4116 -0.5963 -0.5950 -0.0066 -0.0025 0.0617 0.0633 0.4512 0.4544 0.9361 0.9432 1.6694 1.6737 2.2496 2.2505 4.9589 4.9715 5.7217 5.7535 5.9708 6.0020 6.8235 6.8524 7.3301 7.3733 8.2964 8.3637 8.6683 8.6911 9.0681 9.1276 9.3294 9.4368 9.6175 9.6846 10.2515 10.3388 10.6009 10.7519 10.9272 10.9538 11.1205 11.1728 11.8369 11.9178 12.1266 12.2209 12.7436 12.7925 13.1642 13.1697 14.3607 14.4053 15.5988 15.6698 16.4262 16.4988 17.1002 17.1812 17.4389 17.4779 k = 0.0000 1.1807 0.4780 ( 7125 PWs) bands (ev): -1.4247 -1.4241 -0.5889 -0.5879 -0.0146 -0.0113 0.0957 0.0971 0.4442 0.4468 0.9541 0.9601 1.6705 1.6741 2.2477 2.2485 4.9403 4.9517 5.7359 5.7675 5.9446 5.9758 6.7782 6.8022 7.3608 7.4016 8.2103 8.2743 8.7253 8.7477 9.0780 9.1401 9.3456 9.4457 9.5982 9.6655 10.2042 10.2661 10.6206 10.7604 10.9837 10.9998 11.1369 11.1862 11.8361 11.8967 12.1839 12.2596 12.7423 12.7882 13.1419 13.1485 14.3846 14.4230 15.6165 15.6834 16.4753 16.5565 17.1264 17.1755 17.4668 17.5219 k = 0.0000 1.1877 0.4544 ( 7129 PWs) bands (ev): -1.4349 -1.4344 -0.5841 -0.5834 -0.0214 -0.0188 0.1276 0.1288 0.4372 0.4393 0.9692 0.9740 1.6711 1.6741 2.2453 2.2460 4.9286 4.9383 5.7486 5.7791 5.9173 5.9477 6.7384 6.7574 7.4077 7.4468 8.1205 8.1800 8.7723 8.7916 9.0994 9.1599 9.3626 9.4537 9.5780 9.6496 10.1581 10.1969 10.6383 10.7571 11.0397 11.0489 11.1530 11.1992 11.8134 11.8550 12.2598 12.3179 12.7303 12.7719 13.1199 13.1271 14.4190 14.4508 15.6141 15.6729 16.5356 16.6232 17.1261 17.1531 17.5162 17.5963 k = 0.0000 1.1947 0.4308 ( 7125 PWs) bands (ev): -1.4428 -1.4424 -0.5812 -0.5807 -0.0267 -0.0248 0.1552 0.1561 0.4308 0.4323 0.9812 0.9849 1.6716 1.6738 2.2428 2.2433 4.9223 4.9300 5.7582 5.7857 5.8947 5.9222 6.7054 6.7195 7.4667 7.5049 8.0301 8.0844 8.8070 8.8212 9.1301 9.1844 9.3806 9.4626 9.5568 9.6339 10.1160 10.1360 10.6549 10.7471 11.0905 11.0971 11.1675 11.2096 11.7821 11.8105 12.3390 12.3851 12.7062 12.7428 13.1006 13.1075 14.4597 14.4847 15.5968 15.6444 16.6045 16.6940 17.0936 17.1328 17.5813 17.6868 k = 0.0000 1.2017 0.4072 ( 7124 PWs) bands (ev): -1.4484 -1.4482 -0.5795 -0.5792 -0.0305 -0.0292 0.1768 0.1774 0.4254 0.4265 0.9901 0.9925 1.6719 1.6734 2.2406 2.2409 4.9199 4.9253 5.7644 5.7850 5.8818 5.9026 6.6809 6.6903 7.5336 7.5699 7.9439 7.9913 8.8298 8.8385 9.1640 9.2066 9.4006 9.4715 9.5384 9.6146 10.0812 10.0887 10.6711 10.7337 11.1305 11.1407 11.1791 11.2158 11.7526 11.7710 12.4165 12.4545 12.6697 12.7017 13.0861 13.0916 14.4999 14.5176 15.5744 15.6082 16.6766 16.7593 17.0530 17.1039 17.6552 17.7820 k = 0.0000 1.2087 0.3836 ( 7124 PWs) bands (ev): -1.4518 -1.4517 -0.5786 -0.5785 -0.0326 -0.0320 0.1906 0.1910 0.4218 0.4223 0.9957 0.9969 1.6722 1.6730 2.2390 2.2392 4.9199 4.9226 5.7683 5.7790 5.8789 5.8897 6.6665 6.6712 7.6007 7.6293 7.8733 7.9076 8.8428 8.8468 9.1940 9.2180 9.4234 9.4684 9.5381 9.5893 10.0573 10.0595 10.6872 10.7188 11.1580 11.1696 11.1904 11.2158 11.7329 11.7422 12.4897 12.5214 12.6222 12.6508 13.0777 13.0808 14.5312 14.5405 15.5584 15.5761 16.7441 16.8006 17.0251 17.0665 17.7309 17.8645 k = 0.0000 1.2156 0.3600 ( 7126 PWs) bands (ev): -1.4529 -1.4529 -0.5783 -0.5783 -0.0331 -0.0331 0.1955 0.1955 0.4207 0.4207 0.9979 0.9979 1.6726 1.6726 2.2386 2.2386 4.9209 4.9209 5.7727 5.7727 5.8821 5.8821 6.6631 6.6631 7.6464 7.6464 7.8546 7.8546 8.8481 8.8481 9.2135 9.2135 9.4480 9.4480 9.5606 9.5606 10.0493 10.0493 10.7031 10.7031 11.1721 11.1721 11.2067 11.2067 11.7288 11.7288 12.5516 12.5516 12.5974 12.5974 13.0760 13.0760 14.5460 14.5460 15.5580 15.5580 16.7934 16.7934 17.0322 17.0322 17.8027 17.8027 k = 0.0000 1.2156 0.3600 ( 7126 PWs) bands (ev): -1.4529 -1.4529 -0.5783 -0.5783 -0.0331 -0.0331 0.1955 0.1955 0.4207 0.4207 0.9979 0.9979 1.6726 1.6726 2.2386 2.2386 4.9209 4.9209 5.7727 5.7727 5.8821 5.8821 6.6631 6.6631 7.6464 7.6464 7.8546 7.8546 8.8481 8.8481 9.2135 9.2135 9.4480 9.4480 9.5606 9.5606 10.0493 10.0493 10.7031 10.7031 11.1721 11.1721 11.2067 11.2067 11.7288 11.7288 12.5516 12.5516 12.5974 12.5974 13.0760 13.0760 14.5460 14.5460 15.5580 15.5580 16.7934 16.7934 17.0322 17.0322 17.8027 17.8027 k = 0.0250 1.2156 0.3600 ( 7122 PWs) bands (ev): -1.4516 -1.4516 -0.5773 -0.5772 -0.0388 -0.0385 0.1973 0.1977 0.4190 0.4191 0.9945 0.9948 1.6778 1.6778 2.2418 2.2419 4.9227 4.9240 5.7707 5.7736 5.8792 5.8805 6.6687 6.6706 7.6427 7.6455 7.8494 7.8625 8.8032 8.8175 9.2037 9.2062 9.4476 9.4625 9.5747 9.5751 10.0548 10.0598 10.6963 10.7096 11.1341 11.1497 11.2346 11.2619 11.7308 11.7349 12.5154 12.5206 12.6069 12.6159 13.1004 13.1030 14.5500 14.5512 15.5538 15.5567 16.7730 16.7847 17.0245 17.0440 17.7479 17.8272 k = 0.0500 1.2156 0.3600 ( 7124 PWs) bands (ev): -1.4478 -1.4478 -0.5743 -0.5741 -0.0549 -0.0545 0.2025 0.2032 0.4140 0.4143 0.9846 0.9852 1.6931 1.6931 2.2513 2.2514 4.9291 4.9317 5.7658 5.7719 5.8735 5.8766 6.6864 6.6904 7.6343 7.6403 7.8463 7.8734 8.7042 8.7292 9.1735 9.1793 9.4427 9.4626 9.6207 9.6254 10.0796 10.0891 10.6920 10.7199 11.0928 11.0948 11.3140 11.3406 11.7403 11.7486 12.4390 12.4409 12.6385 12.6476 13.1633 13.1678 14.5630 14.5655 15.5440 15.5498 16.7306 16.7495 17.0197 17.0535 17.6823 17.7891 k = 0.0750 1.2156 0.3600 ( 7124 PWs) bands (ev): -1.4415 -1.4414 -0.5693 -0.5690 -0.0800 -0.0794 0.2102 0.2113 0.4057 0.4062 0.9688 0.9698 1.7179 1.7180 2.2665 2.2668 4.9404 4.9443 5.7546 5.7639 5.8706 5.8754 6.7141 6.7208 7.6209 7.6305 7.8438 7.8870 8.5792 8.6141 9.1243 9.1324 9.4201 9.4391 9.6765 9.6869 10.1329 10.1458 10.6937 10.7409 11.0277 11.0456 11.4174 11.4416 11.7556 11.7682 12.3390 12.3412 12.6843 12.6933 13.2439 13.2498 14.5849 14.5885 15.5278 15.5364 16.6755 16.6982 17.0115 17.0545 17.6091 17.7195 k = 0.1000 1.2156 0.3600 ( 7120 PWs) bands (ev): -1.4326 -1.4325 -0.5624 -0.5620 -0.1122 -0.1117 0.2197 0.2209 0.3942 0.3948 0.9480 0.9493 1.7514 1.7515 2.2867 2.2870 4.9565 4.9617 5.7349 5.7463 5.8756 5.8813 6.7491 6.7592 7.6019 7.6158 7.8397 7.9024 8.4447 8.4922 9.0616 9.0705 9.3859 9.4021 9.7135 9.7263 10.2224 10.2368 10.6976 10.7770 10.9497 11.0003 11.5362 11.5573 11.7745 11.7920 12.2298 12.2375 12.7413 12.7502 13.3292 13.3365 14.6152 14.6199 15.5039 15.5154 16.6154 16.6405 16.9952 17.0441 17.5298 17.6386 k = 0.1250 1.2156 0.3600 ( 7124 PWs) bands (ev): -1.4212 -1.4210 -0.5539 -0.5534 -0.1501 -0.1495 0.2303 0.2317 0.3794 0.3801 0.9230 0.9246 1.7923 1.7925 2.3107 2.3111 4.9775 4.9840 5.7078 5.7204 5.8893 5.8950 6.7884 6.8027 7.5765 7.5955 7.8300 7.9183 8.3096 8.3754 8.9913 9.0000 9.3450 9.3577 9.7243 9.7375 10.3426 10.3576 10.6881 10.8241 10.8682 10.9757 11.6526 11.6661 11.8037 11.8229 12.1276 12.1436 12.8057 12.8146 13.4131 13.4216 14.6531 14.6587 15.4713 15.4855 16.5562 16.5834 16.9691 17.0218 17.4464 17.5519 k = 0.1500 1.2156 0.3600 ( 7130 PWs) bands (ev): -1.4072 -1.4071 -0.5440 -0.5434 -0.1918 -0.1913 0.2418 0.2433 0.3613 0.3622 0.8948 0.8968 1.8395 1.8396 2.3375 2.3379 5.0033 5.0111 5.6764 5.6897 5.9096 5.9148 6.8292 6.8490 7.5435 7.5687 7.8087 7.9310 8.1816 8.2741 8.9191 8.9270 9.3006 9.3093 9.7156 9.7286 10.4752 10.4941 10.6531 10.7689 10.9003 10.9895 11.6989 11.7078 11.8888 11.8956 12.0550 12.0815 12.8743 12.8829 13.4922 13.5019 14.6975 14.7038 15.4290 15.4460 16.5019 16.5313 16.9335 16.9881 17.3618 17.4630 k = 0.1750 1.2156 0.3600 ( 7132 PWs) bands (ev): -1.3908 -1.3906 -0.5335 -0.5327 -0.2358 -0.2354 0.2540 0.2557 0.3399 0.3410 0.8645 0.8667 1.8915 1.8916 2.3659 2.3664 5.0340 5.0432 5.6435 5.6573 5.9344 5.9391 6.8688 6.8954 7.5013 7.5341 7.7688 7.9248 8.0787 8.1976 8.8505 8.8568 9.2551 9.2600 9.6951 9.7080 10.5410 10.6080 10.6637 10.7057 10.9793 11.0375 11.6496 11.6631 12.0018 12.0163 12.0430 12.0856 12.9441 12.9524 13.5649 13.5756 14.7467 14.7532 15.3774 15.3970 16.4546 16.4868 16.8894 16.9439 17.2797 17.3755 k = 0.2000 1.2156 0.3600 ( 7132 PWs) bands (ev): -1.3719 -1.3716 -0.5236 -0.5227 -0.2797 -0.2794 0.2669 0.2687 0.3155 0.3168 0.8329 0.8353 1.9471 1.9473 2.3950 2.3954 5.0693 5.0799 5.6111 5.6255 5.9624 5.9664 6.9043 6.9400 7.4489 7.4912 7.7076 7.8615 8.0406 8.1505 8.7900 8.7940 9.2110 9.2121 9.6680 9.6811 10.4738 10.5551 10.7882 10.8036 11.0712 11.1045 11.5682 11.5687 12.0459 12.0487 12.1808 12.2038 13.0129 13.0207 13.6301 13.6416 14.7986 14.8045 15.3176 15.3399 16.4149 16.4502 16.8380 16.8899 17.2048 17.2928 k = 0.2250 1.2156 0.3600 ( 7136 PWs) bands (ev): -1.3505 -1.3502 -0.5173 -0.5161 -0.3200 -0.3199 0.2801 0.2823 0.2883 0.2900 0.8006 0.8032 2.0052 2.0053 2.4237 2.4241 5.1090 5.1210 5.5807 5.5956 5.9922 5.9955 6.9331 6.9807 7.3862 7.4407 7.6300 7.7608 8.0479 8.1283 8.7408 8.7414 9.1681 9.1705 9.6375 9.6512 10.3865 10.4624 10.9077 10.9257 11.1739 11.1740 11.4650 11.4961 12.0817 12.0847 12.3363 12.3552 13.0790 13.0862 13.6874 13.6994 14.8502 14.8540 15.2523 15.2782 16.3817 16.4208 16.7810 16.8270 17.1416 17.2189 k = 0.2500 1.2156 0.3600 ( 7144 PWs) bands (ev): -1.3266 -1.3264 -0.5202 -0.5188 -0.3504 -0.3503 0.2578 0.2590 0.2955 0.2973 0.7683 0.7711 2.0644 2.0645 2.4511 2.4515 5.1525 5.1661 5.5535 5.5690 6.0227 6.0254 6.9519 7.0153 7.3151 7.3853 7.5440 7.6562 8.0672 8.1231 8.7000 8.7040 9.1304 9.1359 9.6057 9.6203 10.2963 10.3695 10.9783 11.0122 11.2277 11.2686 11.4004 11.4860 12.1266 12.1273 12.4922 12.5096 13.1407 13.1473 13.7364 13.7485 14.8969 14.8976 15.1858 15.2168 16.3535 16.3967 16.7199 16.7574 17.0930 17.1572 k = 0.2750 1.2156 0.3600 ( 7148 PWs) bands (ev): -1.3004 -1.3001 -0.5390 -0.5375 -0.3636 -0.3635 0.2251 0.2264 0.3108 0.3127 0.7365 0.7394 2.1237 2.1238 2.4764 2.4768 5.1991 5.2143 5.5303 5.5464 6.0530 6.0551 6.9573 7.0415 7.2394 7.3298 7.4558 7.5555 8.0909 8.1287 8.6686 8.6779 9.1022 9.1098 9.5738 9.5896 10.2078 10.2808 10.9557 11.0152 11.2886 11.3076 11.4677 11.5560 12.1762 12.1782 12.6449 12.6615 13.1965 13.2024 13.7769 13.7886 14.9257 14.9350 15.1241 15.1636 16.3287 16.3760 16.6571 16.6848 17.0598 17.1100 k = 0.3000 1.2156 0.3600 ( 7142 PWs) bands (ev): -1.2718 -1.2715 -0.5737 -0.5723 -0.3590 -0.3590 0.1902 0.1916 0.3270 0.3291 0.7052 0.7082 2.1820 2.1822 2.4990 2.4994 5.2475 5.2645 5.5118 5.5286 6.0821 6.0837 6.9458 7.0534 7.1665 7.2797 7.3698 7.4613 8.1173 8.1421 8.6439 8.6585 9.0865 9.0948 9.5426 9.5602 10.1240 10.1986 10.8650 10.9324 11.3685 11.3717 11.5879 11.6612 12.2323 12.2369 12.7921 12.8080 13.2444 13.2499 13.8086 13.8195 14.9318 14.9522 15.0785 15.1279 16.3060 16.3568 16.5960 16.6141 17.0412 17.0782 k = 0.3250 1.2156 0.3600 ( 7138 PWs) bands (ev): -1.2409 -1.2405 -0.6179 -0.6168 -0.3430 -0.3427 0.1535 0.1549 0.3441 0.3463 0.6749 0.6779 2.2385 2.2386 2.5181 2.5185 5.2962 5.3150 5.4985 5.5161 6.1099 6.1111 6.9155 7.0297 7.1179 7.2378 7.2913 7.3766 8.1464 8.1614 8.6219 8.6407 9.0864 9.0929 9.5129 9.5327 10.0474 10.1253 10.7490 10.8176 11.4485 11.4607 11.7040 11.7684 12.2986 12.3053 12.9314 12.9463 13.2822 13.2876 13.8313 13.8407 14.9149 14.9389 15.0610 15.1115 16.2844 16.3373 16.5408 16.5499 17.0354 17.0612 k = 0.3500 1.2156 0.3600 ( 7144 PWs) bands (ev): -1.2077 -1.2073 -0.6667 -0.6656 -0.3201 -0.3197 0.1153 0.1168 0.3621 0.3644 0.6454 0.6485 2.2920 2.2922 2.5333 2.5336 5.3431 5.3637 5.4907 5.5092 6.1368 6.1378 6.8677 6.9604 7.1017 7.2021 7.2271 7.3061 8.1783 8.1858 8.5990 8.6203 9.1026 9.1045 9.4845 9.5073 9.9806 10.0632 10.6252 10.6950 11.5314 11.5484 11.8021 11.8603 12.3791 12.3863 13.0603 13.0734 13.3078 13.3138 13.8445 13.8520 14.8888 14.9103 15.0586 15.1029 16.2631 16.3156 16.4955 16.4960 17.0403 17.0572 k = 0.3750 1.2156 0.3600 ( 7146 PWs) bands (ev): -1.1722 -1.1718 -0.7172 -0.7163 -0.2930 -0.2924 0.0762 0.0776 0.3810 0.3834 0.6169 0.6201 2.3420 2.3421 2.5439 2.5443 5.3854 5.4076 5.4882 5.5081 6.1645 6.1654 6.8055 6.8741 7.0884 7.1695 7.1820 7.2537 8.2129 8.2146 8.5730 8.5951 9.1284 9.1335 9.4575 9.4837 9.9269 10.0153 10.5003 10.5726 11.6120 11.6321 11.8754 11.9281 12.4755 12.4816 13.1729 13.1823 13.3230 13.3315 13.8477 13.8528 14.8673 14.8863 15.0540 15.0912 16.2429 16.2927 16.4528 16.4609 17.0541 17.0641 k = 0.4000 1.2156 0.3600 ( 7146 PWs) bands (ev): -1.1346 -1.1341 -0.7682 -0.7673 -0.2627 -0.2620 0.0364 0.0378 0.4008 0.4033 0.5894 0.5925 2.3876 2.3877 2.5496 2.5499 5.4207 5.4440 5.4906 5.5120 6.1961 6.1968 6.7324 6.7813 7.0735 7.1416 7.1532 7.2172 8.2471 8.2499 8.5433 8.5649 9.1614 9.1749 9.4310 9.4611 9.8901 9.9844 10.3782 10.4541 11.6878 11.7104 11.9228 11.9701 12.5848 12.5885 13.2408 13.2438 13.3534 13.3671 13.8398 13.8423 14.8574 14.8743 15.0422 15.0723 16.2271 16.2730 16.4170 16.4327 17.0756 17.0803 k = 0.4250 1.2156 0.3600 ( 7142 PWs) bands (ev): -1.0948 -1.0943 -0.8187 -0.8180 -0.2300 -0.2292 -0.0036 -0.0023 0.4214 0.4240 0.5628 0.5659 2.4282 2.4283 2.5499 2.5502 5.4478 5.4716 5.4957 5.5189 6.2350 6.2351 6.6522 6.6861 7.0636 7.1232 7.1322 7.1897 8.2826 8.2890 8.5103 8.5305 9.1996 9.2217 9.4044 9.4380 9.8742 9.9736 10.2617 10.3422 11.7570 11.7819 11.9467 11.9892 12.7006 12.7017 13.2313 13.2335 13.4308 13.4439 13.8195 13.8195 14.8615 14.8759 15.0232 15.0460 16.2203 16.2624 16.3833 16.4051 17.1038 17.1044 k = 0.4500 1.2156 0.3600 ( 7140 PWs) bands (ev): -1.0531 -1.0526 -0.8684 -0.8677 -0.1954 -0.1945 -0.0434 -0.0422 0.4429 0.4455 0.5371 0.5401 2.4634 2.4634 2.5446 2.5448 5.4678 5.4919 5.4999 5.5244 6.2829 6.2847 6.5691 6.5919 7.0620 7.1136 7.1163 7.1666 8.3201 8.3296 8.4745 8.4931 9.2394 9.2687 9.3765 9.4128 9.8831 9.9850 10.1536 10.2397 11.8181 11.8453 11.9506 11.9890 12.8152 12.8163 13.1824 13.1854 13.5182 13.5288 13.7836 13.7858 14.8787 14.8894 14.9985 15.0137 16.2260 16.2646 16.3479 16.3742 17.1357 17.1382 k = 0.4750 1.2156 0.3600 ( 7140 PWs) bands (ev): -1.0095 -1.0089 -0.9170 -0.9163 -0.1591 -0.1581 -0.0829 -0.0817 0.4652 0.4679 0.5123 0.5152 2.4928 2.4929 2.5334 2.5336 5.4829 5.4996 5.5074 5.5247 6.3416 6.3462 6.4873 6.5020 7.0683 7.0961 7.1195 7.1466 8.3588 8.3710 8.4368 8.4535 9.2779 9.3123 9.3465 9.3840 9.9180 10.0191 10.0575 10.1495 11.8696 11.8991 11.9376 11.9726 12.9241 12.9266 13.1114 13.1149 13.6001 13.6083 13.7344 13.7386 14.9063 14.9120 14.9699 14.9776 16.2450 16.2805 16.3106 16.3403 17.1738 17.1788 k = 0.5000 1.2156 0.3600 ( 7140 PWs) bands (ev): -0.9640 -0.9640 -0.9634 -0.9634 -0.1215 -0.1215 -0.1204 -0.1204 0.4883 0.4883 0.4912 0.4912 2.5161 2.5161 2.5163 2.5163 5.4937 5.4937 5.5187 5.5187 6.4105 6.4105 6.4193 6.4193 7.0804 7.0804 7.1304 7.1304 8.3980 8.3980 8.4125 8.4125 9.3137 9.3137 9.3507 9.3507 9.9774 9.9774 10.0749 10.0749 11.9100 11.9100 11.9420 11.9420 13.0241 13.0241 13.0273 13.0273 13.6727 13.6727 13.6789 13.6789 14.9400 14.9400 14.9406 14.9406 16.2746 16.2746 16.3073 16.3073 17.2191 17.2191 k = 0.5000 1.2156 0.3600 ( 7140 PWs) bands (ev): -0.9640 -0.9640 -0.9634 -0.9634 -0.1215 -0.1215 -0.1204 -0.1204 0.4883 0.4883 0.4912 0.4912 2.5161 2.5161 2.5163 2.5163 5.4937 5.4937 5.5187 5.5187 6.4105 6.4105 6.4193 6.4193 7.0804 7.0804 7.1304 7.1304 8.3980 8.3980 8.4125 8.4125 9.3137 9.3137 9.3507 9.3507 9.9774 9.9774 10.0749 10.0749 11.9100 11.9100 11.9420 11.9420 13.0241 13.0241 13.0273 13.0273 13.6727 13.6727 13.6789 13.6789 14.9400 14.9400 14.9406 14.9406 16.2746 16.2746 16.3073 16.3073 17.2191 17.2191 k = 0.5000 1.2226 0.3365 ( 7138 PWs) bands (ev): -0.9634 -0.9634 -0.9620 -0.9620 -0.1217 -0.1216 -0.1197 -0.1197 0.4844 0.4844 0.4875 0.4875 2.5166 2.5166 2.5188 2.5188 5.4971 5.4971 5.5228 5.5228 6.4071 6.4071 6.4236 6.4236 7.0767 7.0767 7.1278 7.1278 8.3900 8.3900 8.4097 8.4097 9.3118 9.3119 9.3555 9.3555 9.9913 9.9913 10.0887 10.0887 11.9030 11.9030 11.9361 11.9361 13.0198 13.0198 13.0265 13.0265 13.6494 13.6494 13.6836 13.6836 14.9353 14.9353 14.9552 14.9553 16.2772 16.2772 16.3109 16.3109 17.2098 17.2098 k = 0.5000 1.2296 0.3129 ( 7142 PWs) bands (ev): -0.9609 -0.9609 -0.9583 -0.9583 -0.1216 -0.1215 -0.1182 -0.1182 0.4729 0.4729 0.4766 0.4766 2.5199 2.5199 2.5243 2.5243 5.5074 5.5074 5.5351 5.5351 6.4022 6.4022 6.4315 6.4315 7.0660 7.0660 7.1204 7.1204 8.3689 8.3689 8.3978 8.3978 9.3114 9.3115 9.3680 9.3680 10.0314 10.0314 10.1284 10.1284 11.8826 11.8826 11.9182 11.9182 13.0085 13.0085 13.0209 13.0209 13.6080 13.6080 13.6720 13.6720 14.9412 14.9412 14.9787 14.9787 16.2845 16.2845 16.3210 16.3210 17.2005 17.2005 k = 0.5000 1.2366 0.2893 ( 7138 PWs) bands (ev): -0.9564 -0.9564 -0.9525 -0.9525 -0.1212 -0.1212 -0.1163 -0.1162 0.4543 0.4543 0.4588 0.4588 2.5259 2.5259 2.5324 2.5324 5.5242 5.5242 5.5552 5.5552 6.3979 6.3979 6.4407 6.4407 7.0493 7.0493 7.1087 7.1087 8.3368 8.3368 8.3740 8.3740 9.3203 9.3203 9.3881 9.3882 10.0935 10.0935 10.1896 10.1896 11.8497 11.8497 11.8886 11.8886 12.9884 12.9884 13.0081 13.0081 13.5564 13.5564 13.6440 13.6440 14.9579 14.9579 15.0091 15.0091 16.2961 16.2961 16.3365 16.3365 17.1930 17.1930 k = 0.5000 1.2436 0.2657 ( 7136 PWs) bands (ev): -0.9498 -0.9498 -0.9447 -0.9447 -0.1207 -0.1207 -0.1142 -0.1142 0.4295 0.4295 0.4348 0.4348 2.5343 2.5343 2.5427 2.5427 5.5474 5.5474 5.5827 5.5827 6.3946 6.3946 6.4510 6.4510 7.0277 7.0278 7.0936 7.0936 8.2946 8.2946 8.3377 8.3377 9.3433 9.3434 9.4182 9.4183 10.1723 10.1724 10.2674 10.2674 11.8055 11.8055 11.8478 11.8478 12.9559 12.9559 12.9847 12.9847 13.5018 13.5018 13.6045 13.6045 14.9845 14.9845 15.0452 15.0452 16.3108 16.3109 16.3556 16.3556 17.1858 17.1858 k = 0.5000 1.2506 0.2421 ( 7132 PWs) bands (ev): -0.9413 -0.9413 -0.9349 -0.9349 -0.1207 -0.1207 -0.1125 -0.1125 0.3997 0.3997 0.4057 0.4057 2.5445 2.5445 2.5547 2.5547 5.5763 5.5763 5.6169 5.6170 6.3924 6.3924 6.4622 6.4622 7.0031 7.0031 7.0762 7.0763 8.2436 8.2436 8.2900 8.2901 9.3824 9.3825 9.4604 9.4604 10.2632 10.2632 10.3572 10.3572 11.7512 11.7513 11.7965 11.7965 12.9068 12.9068 12.9472 12.9473 13.4516 13.4516 13.5605 13.5605 15.0193 15.0193 15.0860 15.0860 16.3273 16.3273 16.3769 16.3769 17.1769 17.1769 k = 0.5000 1.2576 0.2185 ( 7132 PWs) bands (ev): -0.9309 -0.9308 -0.9231 -0.9231 -0.1217 -0.1217 -0.1118 -0.1118 0.3661 0.3661 0.3727 0.3727 2.5561 2.5561 2.5679 2.5679 5.6102 5.6103 5.6571 5.6571 6.3917 6.3918 6.4743 6.4743 6.9770 6.9770 7.0578 7.0578 8.1854 8.1854 8.2333 8.2333 9.4372 9.4372 9.5153 9.5153 10.3620 10.3620 10.4551 10.4552 11.6882 11.6883 11.7358 11.7358 12.8386 12.8386 12.8928 12.8928 13.4115 13.4115 13.5188 13.5188 15.0602 15.0602 15.1304 15.1304 16.3438 16.3438 16.3991 16.3991 17.1644 17.1644 k = 0.5000 1.2646 0.1949 ( 7138 PWs) bands (ev): -0.9185 -0.9185 -0.9095 -0.9094 -0.1248 -0.1248 -0.1132 -0.1132 0.3307 0.3307 0.3377 0.3377 2.5684 2.5684 2.5816 2.5816 5.6481 5.6481 5.7021 5.7021 6.3930 6.3930 6.4873 6.4873 6.9511 6.9511 7.0393 7.0394 8.1223 8.1223 8.1705 8.1705 9.5057 9.5057 9.5823 9.5823 10.4651 10.4651 10.5580 10.5580 11.6177 11.6177 11.6668 11.6668 12.7526 12.7526 12.8207 12.8207 13.3831 13.3831 13.4841 13.4841 15.1050 15.1050 15.1773 15.1774 16.3586 16.3586 16.4212 16.4213 17.1465 17.1465 k = 0.5000 1.2715 0.1713 ( 7140 PWs) bands (ev): -0.9045 -0.9044 -0.8940 -0.8940 -0.1314 -0.1313 -0.1180 -0.1180 0.2955 0.2955 0.3029 0.3029 2.5810 2.5810 2.5953 2.5953 5.6885 5.6886 5.7506 5.7507 6.3967 6.3968 6.5011 6.5011 6.9269 6.9269 7.0217 7.0217 8.0570 8.0570 8.1046 8.1046 9.5857 9.5857 9.6599 9.6599 10.5689 10.5689 10.6624 10.6624 11.5411 11.5411 11.5910 11.5910 12.6535 12.6535 12.7338 12.7338 13.3650 13.3650 13.4580 13.4580 15.1514 15.1514 15.2258 15.2258 16.3699 16.3699 16.4425 16.4425 17.1223 17.1223 k = 0.5000 1.2785 0.1477 ( 7136 PWs) bands (ev): -0.8887 -0.8887 -0.8768 -0.8768 -0.1430 -0.1430 -0.1280 -0.1280 0.2631 0.2631 0.2707 0.2708 2.5934 2.5934 2.6086 2.6087 5.7301 5.7301 5.8009 5.8009 6.4040 6.4040 6.5159 6.5159 6.9056 6.9056 7.0055 7.0055 7.9918 7.9918 8.0385 8.0385 9.6747 9.6747 9.7462 9.7462 10.6695 10.6695 10.7648 10.7649 11.4600 11.4600 11.5108 11.5108 12.5475 12.5475 12.6373 12.6373 13.3542 13.3542 13.4400 13.4400 15.1970 15.1970 15.2744 15.2744 16.3757 16.3757 16.4621 16.4621 17.0918 17.0918 k = 0.5000 1.2855 0.1241 ( 7132 PWs) bands (ev): -0.8716 -0.8715 -0.8581 -0.8581 -0.1617 -0.1617 -0.1451 -0.1451 0.2360 0.2360 0.2440 0.2441 2.6052 2.6052 2.6211 2.6211 5.7708 5.7708 5.8508 5.8508 6.4158 6.4159 6.5317 6.5317 6.8883 6.8883 6.9909 6.9909 7.9297 7.9297 7.9750 7.9750 9.7700 9.7701 9.8389 9.8390 10.7610 10.7610 10.8598 10.8598 11.3775 11.3775 11.4308 11.4308 12.4408 12.4408 12.5378 12.5378 13.3483 13.3483 13.4282 13.4282 15.2395 15.2395 15.3215 15.3215 16.3740 16.3740 16.4790 16.4790 17.0566 17.0566 k = 0.5000 1.2925 0.1005 ( 7128 PWs) bands (ev): -0.8532 -0.8532 -0.8381 -0.8381 -0.1885 -0.1885 -0.1707 -0.1707 0.2164 0.2164 0.2249 0.2250 2.6160 2.6160 2.6324 2.6325 5.8090 5.8090 5.8980 5.8980 6.4334 6.4334 6.5488 6.5488 6.8753 6.8754 6.9778 6.9778 7.8733 7.8733 7.9170 7.9170 9.8687 9.8687 9.9353 9.9354 10.8337 10.8337 10.9373 10.9373 11.2996 11.2996 11.3604 11.3604 12.3398 12.3398 12.4422 12.4422 13.3451 13.3451 13.4208 13.4208 15.2762 15.2762 15.3652 15.3652 16.3635 16.3635 16.4915 16.4915 17.0195 17.0195 k = 0.5000 1.2995 0.0769 ( 7124 PWs) bands (ev): -0.8340 -0.8340 -0.8173 -0.8173 -0.2236 -0.2236 -0.2048 -0.2048 0.2052 0.2052 0.2144 0.2145 2.6255 2.6256 2.6423 2.6423 5.8430 5.8430 5.9400 5.9400 6.4573 6.4573 6.5670 6.5670 6.8667 6.8667 6.9658 6.9658 7.8259 7.8259 7.8672 7.8672 9.9667 9.9667 10.0316 10.0316 10.8727 10.8727 10.9771 10.9771 11.2413 11.2413 11.3163 11.3163 12.2508 12.2508 12.3582 12.3582 13.3435 13.3435 13.4166 13.4166 15.3043 15.3043 15.4034 15.4034 16.3432 16.3432 16.4978 16.4978 16.9848 16.9849 k = 0.5000 1.3065 0.0534 ( 7132 PWs) bands (ev): -0.8147 -0.8146 -0.7962 -0.7962 -0.2655 -0.2655 -0.2459 -0.2459 0.2019 0.2020 0.2121 0.2121 2.6337 2.6337 2.6506 2.6506 5.8717 5.8717 5.9749 5.9750 6.4870 6.4871 6.5860 6.5860 6.8616 6.8616 6.9546 6.9546 7.7907 7.7907 7.8290 7.8290 10.0573 10.0573 10.1219 10.1220 10.8676 10.8676 10.9577 10.9577 11.2220 11.2220 11.3099 11.3099 12.1809 12.1809 12.2936 12.2936 13.3425 13.3425 13.4144 13.4144 15.3213 15.3213 15.4335 15.4335 16.3144 16.3144 16.4961 16.4962 16.9573 16.9573 k = 0.5000 1.3135 0.0298 ( 7142 PWs) bands (ev): -0.7961 -0.7961 -0.7758 -0.7758 -0.3117 -0.3117 -0.2916 -0.2916 0.2056 0.2056 0.2167 0.2168 2.6404 2.6404 2.6572 2.6572 5.8944 5.8945 6.0019 6.0019 6.5200 6.5201 6.6050 6.6050 6.8589 6.8589 6.9445 6.9445 7.7709 7.7709 7.8055 7.8055 10.1281 10.1281 10.1967 10.1967 10.8356 10.8356 10.9011 10.9011 11.2280 11.2280 11.3237 11.3237 12.1378 12.1378 12.2557 12.2557 13.3415 13.3415 13.4136 13.4136 15.3245 15.3245 15.4522 15.4522 16.2800 16.2800 16.4862 16.4862 16.9405 16.9405 k = 0.5000 1.3205 0.0062 ( 7142 PWs) bands (ev): -0.7800 -0.7800 -0.7580 -0.7580 -0.3588 -0.3588 -0.3383 -0.3383 0.2148 0.2148 0.2269 0.2269 2.6455 2.6455 2.6620 2.6620 5.9116 5.9116 6.0211 6.0211 6.5502 6.5503 6.6235 6.6235 6.8573 6.8573 6.9374 6.9375 7.7695 7.7695 7.7997 7.7998 10.1578 10.1578 10.2404 10.2405 10.8107 10.8107 10.8545 10.8545 11.2315 11.2315 11.3308 11.3308 12.1273 12.1273 12.2489 12.2489 13.3402 13.3402 13.4139 13.4139 15.3124 15.3124 15.4564 15.4564 16.2452 16.2452 16.4702 16.4702 16.9353 16.9353 k = 0.5000 1.3205 0.0062 ( 7142 PWs) bands (ev): -0.7800 -0.7800 -0.7580 -0.7580 -0.3588 -0.3588 -0.3383 -0.3383 0.2148 0.2148 0.2269 0.2269 2.6455 2.6455 2.6620 2.6620 5.9116 5.9116 6.0211 6.0211 6.5502 6.5503 6.6235 6.6235 6.8573 6.8573 6.9374 6.9375 7.7695 7.7695 7.7997 7.7998 10.1578 10.1578 10.2404 10.2405 10.8107 10.8107 10.8545 10.8545 11.2315 11.2315 11.3308 11.3308 12.1273 12.1273 12.2489 12.2489 13.3402 13.3402 13.4139 13.4139 15.3124 15.3124 15.4564 15.4564 16.2452 16.2452 16.4702 16.4702 16.9353 16.9353 k = 0.5000 1.3135-0.0178 ( 7142 PWs) bands (ev): -0.7701 -0.7701 -0.7483 -0.7483 -0.3609 -0.3609 -0.3406 -0.3406 0.2233 0.2233 0.2356 0.2357 2.6492 2.6493 2.6660 2.6660 5.8861 5.8862 5.9926 5.9926 6.5525 6.5525 6.6285 6.6285 6.8276 6.8276 6.9172 6.9172 7.7771 7.7771 7.8038 7.8038 10.1548 10.1549 10.2515 10.2516 10.8058 10.8058 10.8576 10.8576 11.2059 11.2059 11.3163 11.3163 12.1415 12.1415 12.2800 12.2800 13.3382 13.3382 13.4122 13.4122 15.3141 15.3141 15.4687 15.4687 16.2465 16.2465 16.4858 16.4858 16.9267 16.9267 k = 0.5000 1.3065-0.0418 ( 7136 PWs) bands (ev): -0.7667 -0.7667 -0.7458 -0.7458 -0.3602 -0.3602 -0.3409 -0.3409 0.2384 0.2384 0.2508 0.2509 2.6516 2.6516 2.6685 2.6685 5.8566 5.8566 5.9586 5.9586 6.5396 6.5396 6.6323 6.6323 6.7996 6.7996 6.9062 6.9062 7.8041 7.8041 7.8272 7.8272 10.1038 10.1038 10.2143 10.2143 10.8235 10.8235 10.8984 10.8984 11.1674 11.1675 11.2829 11.2829 12.1919 12.1919 12.3418 12.3418 13.3358 13.3358 13.4116 13.4116 15.3004 15.3004 15.4632 15.4632 16.2519 16.2519 16.4967 16.4967 16.9289 16.9290 k = 0.5000 1.2995-0.0658 ( 7128 PWs) bands (ev): -0.7683 -0.7683 -0.7490 -0.7489 -0.3583 -0.3583 -0.3405 -0.3405 0.2597 0.2597 0.2721 0.2722 2.6526 2.6526 2.6693 2.6693 5.8234 5.8235 5.9198 5.9198 6.5149 6.5149 6.6231 6.6231 6.7867 6.7867 6.9063 6.9063 7.8463 7.8463 7.8661 7.8661 10.0250 10.0250 10.1449 10.1449 10.8341 10.8341 10.9353 10.9353 11.1408 11.1408 11.2562 11.2563 12.2705 12.2705 12.4268 12.4268 13.3332 13.3332 13.4127 13.4127 15.2735 15.2735 15.4426 15.4427 16.2584 16.2584 16.4999 16.4999 16.9418 16.9418 k = 0.5000 1.2925-0.0898 ( 7130 PWs) bands (ev): -0.7735 -0.7735 -0.7559 -0.7559 -0.3566 -0.3566 -0.3406 -0.3406 0.2864 0.2865 0.2987 0.2987 2.6522 2.6522 2.6686 2.6686 5.7874 5.7874 5.8772 5.8772 6.4838 6.4839 6.5946 6.5946 6.7963 6.7963 6.9162 6.9162 7.8996 7.8997 7.9169 7.9170 9.9339 9.9339 10.0605 10.0605 10.8001 10.8002 10.9208 10.9208 11.1609 11.1609 11.2706 11.2706 12.3678 12.3678 12.5261 12.5261 13.3310 13.3310 13.4160 13.4160 15.2366 15.2366 15.4109 15.4109 16.2635 16.2635 16.4951 16.4951 16.9624 16.9624 k = 0.5000 1.2855-0.1138 ( 7136 PWs) bands (ev): -0.7809 -0.7809 -0.7652 -0.7651 -0.3558 -0.3557 -0.3416 -0.3416 0.3175 0.3175 0.3293 0.3294 2.6506 2.6506 2.6664 2.6664 5.7492 5.7492 5.8318 5.8318 6.4509 6.4509 6.5551 6.5551 6.8215 6.8216 6.9338 6.9338 7.9603 7.9603 7.9769 7.9769 9.8393 9.8393 9.9717 9.9717 10.7233 10.7233 10.8509 10.8509 11.2240 11.2240 11.3268 11.3268 12.4757 12.4757 12.6317 12.6317 13.3298 13.3298 13.4229 13.4229 15.1928 15.1928 15.3717 15.3717 16.2656 16.2656 16.4834 16.4834 16.9866 16.9867 k = 0.5000 1.2785-0.1378 ( 7142 PWs) bands (ev): -0.7895 -0.7895 -0.7756 -0.7756 -0.3560 -0.3560 -0.3436 -0.3436 0.3513 0.3514 0.3627 0.3627 2.6478 2.6478 2.6628 2.6628 5.7100 5.7100 5.7849 5.7850 6.4191 6.4191 6.5132 6.5132 6.8547 6.8547 6.9568 6.9568 8.0251 8.0251 8.0432 8.0432 9.7466 9.7466 9.8848 9.8848 10.6240 10.6240 10.7545 10.7545 11.3035 11.3035 11.4017 11.4017 12.5873 12.5873 12.7361 12.7361 13.3309 13.3309 13.4351 13.4351 15.1456 15.1456 15.3284 15.3284 16.2640 16.2640 16.4666 16.4666 17.0103 17.0104 k = 0.5000 1.2715-0.1618 ( 7146 PWs) bands (ev): -0.7985 -0.7984 -0.7864 -0.7864 -0.3573 -0.3573 -0.3466 -0.3466 0.3866 0.3866 0.3972 0.3973 2.6440 2.6441 2.6581 2.6581 5.6709 5.6709 5.7382 5.7382 6.3901 6.3901 6.4730 6.4730 6.8915 6.8915 6.9833 6.9834 8.0914 8.0914 8.1132 8.1132 9.6597 9.6597 9.8037 9.8037 10.5146 10.5146 10.6473 10.6473 11.3866 11.3866 11.4808 11.4808 12.6962 12.6963 12.8319 12.8319 13.3365 13.3365 13.4547 13.4547 15.0981 15.0982 15.2836 15.2836 16.2592 16.2592 16.4461 16.4461 17.0306 17.0306 k = 0.5000 1.2646-0.1859 ( 7142 PWs) bands (ev): -0.8073 -0.8072 -0.7969 -0.7969 -0.3594 -0.3594 -0.3502 -0.3502 0.4218 0.4218 0.4315 0.4316 2.6396 2.6397 2.6525 2.6526 5.6330 5.6331 5.6929 5.6929 6.3648 6.3648 6.4363 6.4364 6.9298 6.9298 7.0118 7.0119 8.1570 8.1570 8.1838 8.1838 9.5817 9.5817 9.7314 9.7314 10.4014 10.4015 10.5364 10.5364 11.4681 11.4681 11.5575 11.5575 12.7961 12.7961 12.9126 12.9126 13.3495 13.3495 13.4837 13.4837 15.0536 15.0536 15.2394 15.2394 16.2519 16.2519 16.4228 16.4228 17.0461 17.0461 k = 0.5000 1.2576-0.2099 ( 7138 PWs) bands (ev): -0.8154 -0.8154 -0.8067 -0.8067 -0.3618 -0.3618 -0.3541 -0.3541 0.4555 0.4555 0.4643 0.4643 2.6349 2.6349 2.6464 2.6465 5.5977 5.5977 5.6506 5.6507 6.3436 6.3436 6.4040 6.4040 6.9677 6.9677 7.0407 7.0407 8.2198 8.2198 8.2517 8.2518 9.5159 9.5160 9.6703 9.6703 10.2886 10.2886 10.4258 10.4258 11.5451 11.5451 11.6285 11.6285 12.8805 12.8805 12.9737 12.9737 13.3735 13.3735 13.5220 13.5220 15.0150 15.0150 15.1972 15.1972 16.2431 16.2431 16.3974 16.3974 17.0567 17.0567 k = 0.5000 1.2506-0.2339 ( 7130 PWs) bands (ev): -0.8227 -0.8227 -0.8155 -0.8155 -0.3643 -0.3643 -0.3580 -0.3580 0.4865 0.4865 0.4941 0.4941 2.6302 2.6302 2.6402 2.6402 5.5660 5.5660 5.6126 5.6126 6.3266 6.3266 6.3762 6.3762 7.0038 7.0038 7.0684 7.0685 8.2777 8.2777 8.3138 8.3138 9.4654 9.4655 9.6219 9.6219 10.1795 10.1795 10.3184 10.3184 11.6154 11.6154 11.6914 11.6914 12.9446 12.9446 13.0146 13.0146 13.4110 13.4110 13.5657 13.5657 14.9851 14.9851 15.1578 15.1578 16.2342 16.2342 16.3705 16.3705 17.0634 17.0635 k = 0.5000 1.2436-0.2579 ( 7134 PWs) bands (ev): -0.8288 -0.8288 -0.8230 -0.8230 -0.3666 -0.3666 -0.3616 -0.3616 0.5136 0.5136 0.5200 0.5200 2.6259 2.6259 2.6341 2.6341 5.5388 5.5388 5.5799 5.5799 6.3137 6.3137 6.3529 6.3529 7.0365 7.0365 7.0936 7.0936 8.3286 8.3286 8.3665 8.3665 9.4331 9.4331 9.5866 9.5867 10.0778 10.0778 10.2172 10.2172 11.6774 11.6774 11.7445 11.7445 12.9881 12.9881 13.0384 13.0384 13.4602 13.4602 13.6080 13.6080 14.9660 14.9660 15.1214 15.1214 16.2264 16.2264 16.3429 16.3429 17.0682 17.0682 k = 0.5000 1.2366-0.2819 ( 7132 PWs) bands (ev): -0.8335 -0.8335 -0.8292 -0.8292 -0.3685 -0.3685 -0.3648 -0.3648 0.5359 0.5360 0.5410 0.5411 2.6223 2.6223 2.6286 2.6287 5.5169 5.5169 5.5534 5.5535 6.3048 6.3049 6.3339 6.3339 7.0643 7.0643 7.1147 7.1147 8.3709 8.3709 8.4071 8.4071 9.4206 9.4207 9.5625 9.5625 9.9888 9.9888 10.1255 10.1255 11.7292 11.7292 11.7864 11.7865 13.0151 13.0151 13.0500 13.0500 13.5151 13.5151 13.6414 13.6414 14.9589 14.9589 15.0877 15.0877 16.2212 16.2212 16.3158 16.3158 17.0730 17.0730 k = 0.5000 1.2296-0.3059 ( 7142 PWs) bands (ev): -0.8368 -0.8368 -0.8338 -0.8338 -0.3698 -0.3698 -0.3674 -0.3673 0.5527 0.5527 0.5564 0.5565 2.6197 2.6197 2.6241 2.6241 5.5009 5.5009 5.5340 5.5340 6.2999 6.2999 6.3192 6.3192 7.0856 7.0856 7.1306 7.1306 8.4033 8.4034 8.4341 8.4341 9.4273 9.4273 9.5442 9.5442 9.9196 9.9196 10.0482 10.0483 11.7689 11.7689 11.8161 11.8161 13.0313 13.0313 13.0537 13.0537 13.5682 13.5682 13.6603 13.6603 14.9635 14.9635 15.0563 15.0563 16.2198 16.2198 16.2910 16.2910 17.0799 17.0799 k = 0.5000 1.2226-0.3299 ( 7142 PWs) bands (ev): -0.8386 -0.8386 -0.8368 -0.8368 -0.3704 -0.3704 -0.3692 -0.3692 0.5631 0.5631 0.5657 0.5658 2.6185 2.6185 2.6209 2.6209 5.4912 5.4912 5.5221 5.5221 6.2989 6.2989 6.3085 6.3085 7.0991 7.0991 7.1404 7.1405 8.4247 8.4247 8.4480 8.4480 9.4475 9.4475 9.5250 9.5250 9.8777 9.8778 9.9935 9.9935 11.7945 11.7945 11.8334 11.8334 13.0409 13.0409 13.0528 13.0528 13.6130 13.6130 13.6619 13.6619 14.9778 14.9778 15.0272 15.0272 16.2220 16.2220 16.2716 16.2716 17.0900 17.0901 k = 0.5000 1.2156-0.3539 ( 7148 PWs) bands (ev): -0.8391 -0.8391 -0.8379 -0.8379 -0.3703 -0.3703 -0.3701 -0.3701 0.5667 0.5667 0.5688 0.5688 2.6184 2.6184 2.6195 2.6195 5.4880 5.4880 5.5181 5.5181 6.3011 6.3011 6.3024 6.3024 7.1037 7.1037 7.1438 7.1438 8.4325 8.4325 8.4518 8.4518 9.4633 9.4633 9.5111 9.5111 9.8647 9.8647 9.9728 9.9728 11.8034 11.8034 11.8389 11.8389 13.0454 13.0454 13.0508 13.0508 13.6418 13.6418 13.6491 13.6491 14.9954 14.9954 15.0050 15.0050 16.2242 16.2242 16.2634 16.2634 17.0992 17.0992 k = 0.5000 1.2156-0.3539 ( 7148 PWs) bands (ev): -0.8391 -0.8391 -0.8379 -0.8379 -0.3703 -0.3703 -0.3701 -0.3701 0.5667 0.5667 0.5688 0.5688 2.6184 2.6184 2.6195 2.6195 5.4880 5.4880 5.5181 5.5181 6.3011 6.3011 6.3024 6.3024 7.1037 7.1037 7.1438 7.1438 8.4325 8.4325 8.4518 8.4518 9.4633 9.4633 9.5111 9.5111 9.8647 9.8647 9.9728 9.9728 11.8034 11.8034 11.8389 11.8389 13.0454 13.0454 13.0508 13.0508 13.6418 13.6418 13.6491 13.6491 14.9954 14.9954 15.0050 15.0050 16.2242 16.2242 16.2634 16.2634 17.0992 17.0992 k = 0.4750 1.2156-0.3539 ( 7146 PWs) bands (ev): -0.8674 -0.8663 -0.8151 -0.8137 -0.3942 -0.3937 -0.3390 -0.3389 0.5501 0.5520 0.5835 0.5857 2.6104 2.6115 2.6195 2.6206 5.4693 5.4990 5.4990 5.5287 6.2597 6.2629 6.3545 6.3566 7.0941 7.1173 7.1353 7.1574 8.4011 8.4187 8.4640 8.4846 9.4279 9.4616 9.4884 9.5573 9.7649 9.8986 9.9822 10.0721 11.7792 11.8116 11.8121 11.8510 12.9701 12.9734 13.1079 13.1153 13.5658 13.5732 13.7096 13.7165 14.9601 14.9769 15.0332 15.0343 16.1967 16.2484 16.2600 16.2871 17.0595 17.0745 k = 0.4500 1.2156-0.3539 ( 7144 PWs) bands (ev): -0.8980 -0.8971 -0.7974 -0.7958 -0.4084 -0.4076 -0.3021 -0.3018 0.5336 0.5354 0.6003 0.6027 2.5959 2.5969 2.6136 2.6147 5.4427 5.4713 5.5037 5.5322 6.2324 6.2362 6.4175 6.4245 7.0892 7.1326 7.1345 7.1755 8.3699 8.3854 8.4955 8.5172 9.3855 9.4107 9.4961 9.5739 9.7161 9.8628 10.1086 10.1866 11.7409 11.7704 11.8045 11.8472 12.8859 12.8868 13.1507 13.1605 13.4855 13.4921 13.7688 13.7751 14.9306 14.9530 15.0619 15.0703 16.1805 16.2454 16.3004 16.3147 17.0261 17.0389 k = 0.4250 1.2156-0.3539 ( 7140 PWs) bands (ev): -0.9296 -0.9289 -0.7880 -0.7863 -0.4110 -0.4101 -0.2609 -0.2604 0.5175 0.5192 0.6171 0.6196 2.5751 2.5761 2.6008 2.6019 5.4089 5.4357 5.5044 5.5314 6.2169 6.2203 6.4885 6.5021 7.0894 7.1364 7.1559 7.1989 8.3392 8.3520 8.5269 8.5495 9.3357 9.3534 9.4866 9.5365 9.7507 9.8716 10.2403 10.3106 11.6899 11.7166 11.7804 11.8275 12.7934 12.7952 13.1597 13.1728 13.4130 13.4173 13.8198 13.8257 14.9100 14.9361 15.0856 15.1036 16.1762 16.2547 16.3422 16.3430 16.9983 17.0082 k = 0.4000 1.2156-0.3539 ( 7138 PWs) bands (ev): -0.9614 -0.9608 -0.7876 -0.7859 -0.4014 -0.4004 -0.2164 -0.2157 0.5018 0.5034 0.6336 0.6362 2.5485 2.5494 2.5813 2.5823 5.3692 5.3939 5.5040 5.5293 6.2089 6.2114 6.5646 6.5865 7.0934 7.1459 7.1840 7.2297 8.3094 8.3189 8.5578 8.5811 9.2787 9.2874 9.4718 9.4979 9.8201 9.9156 10.3751 10.4405 11.6281 11.6520 11.7399 11.7921 12.6955 12.7000 13.1138 13.1298 13.3679 13.3697 13.8634 13.8689 14.9003 14.9287 15.1041 15.1310 16.1815 16.2716 16.3730 16.3850 16.9763 16.9825 k = 0.3750 1.2156-0.3539 ( 7144 PWs) bands (ev): -0.9926 -0.9921 -0.7952 -0.7935 -0.3808 -0.3797 -0.1693 -0.1684 0.4867 0.4880 0.6499 0.6526 2.5167 2.5176 2.5554 2.5564 5.3254 5.3478 5.5049 5.5286 6.2037 6.2053 6.6425 6.6753 7.0982 7.1589 7.2223 7.2715 8.2810 8.2863 8.5881 8.6117 9.2184 9.2194 9.4620 9.4761 9.9021 9.9817 10.5108 10.5735 11.5576 11.5784 11.6839 11.7422 12.5948 12.6020 13.0163 13.0329 13.3473 13.3488 13.8993 13.9043 14.9025 14.9321 15.1165 15.1510 16.1924 16.2875 16.4110 16.4308 16.9610 16.9624 k = 0.3500 1.2156-0.3539 ( 7142 PWs) bands (ev): -1.0229 -1.0224 -0.8087 -0.8071 -0.3514 -0.3503 -0.1203 -0.1192 0.4721 0.4733 0.6657 0.6686 2.4803 2.4811 2.5238 2.5246 5.2796 5.2998 5.5091 5.5313 6.1975 6.1984 6.7189 6.7660 7.1008 7.1732 7.2742 7.3277 8.2546 8.2546 8.6168 8.6401 9.1555 9.1647 9.4601 9.4685 9.9917 10.0619 10.6445 10.7065 11.4812 11.4980 11.6137 11.6800 12.4933 12.5029 12.8898 12.9060 13.3309 13.3328 13.9263 13.9308 14.9163 14.9460 15.1232 15.1631 16.2051 16.2963 16.4614 16.4826 16.9491 16.9537 k = 0.3250 1.2156-0.3539 ( 7138 PWs) bands (ev): -1.0518 -1.0514 -0.8259 -0.8244 -0.3157 -0.3147 -0.0699 -0.0687 0.4582 0.4593 0.6810 0.6840 2.4400 2.4407 2.4871 2.4879 5.2335 5.2515 5.5176 5.5384 6.1880 6.1885 6.7902 6.8565 7.0988 7.1884 7.3405 7.3993 8.2240 8.2310 8.6434 8.6652 9.1061 9.1209 9.4658 9.4714 10.0868 10.1517 10.7710 10.8337 11.4035 11.4139 11.5321 11.6096 12.3928 12.4042 12.7473 12.7631 13.3086 13.3110 13.9426 13.9464 14.9390 14.9669 15.1269 15.1690 16.2183 16.2996 16.5217 16.5414 16.9438 16.9564 k = 0.3000 1.2156-0.3539 ( 7142 PWs) bands (ev): -1.0791 -1.0787 -0.8449 -0.8436 -0.2758 -0.2749 -0.0186 -0.0173 0.4450 0.4459 0.6957 0.6988 2.3965 2.3972 2.4463 2.4469 5.1886 5.2047 5.5309 5.5505 6.1743 6.1748 6.8518 6.9444 7.0914 7.2059 7.4201 7.4855 8.1947 8.2109 8.6676 8.6860 9.0755 9.0925 9.4780 9.4821 10.1858 10.2483 10.8788 10.9408 11.3317 11.3344 11.4456 11.5394 12.2949 12.3076 12.5951 12.6106 13.2780 13.2811 13.9466 13.9496 14.9632 14.9847 15.1361 15.1740 16.2326 16.3018 16.5864 16.6057 16.9485 16.9711 k = 0.2750 1.2156-0.3539 ( 7136 PWs) bands (ev): -1.1047 -1.1044 -0.8646 -0.8634 -0.2335 -0.2327 0.0331 0.0345 0.4327 0.4334 0.7097 0.7128 2.3505 2.3512 2.4022 2.4027 5.1459 5.1603 5.5491 5.5675 6.1567 6.1574 6.8987 7.0264 7.0796 7.2281 7.5100 7.5844 8.1667 8.1954 8.6905 8.7037 9.0660 9.0817 9.4952 9.4988 10.2869 10.3497 10.9408 10.9898 11.2613 11.2823 11.3858 11.4889 12.2011 12.2144 12.4371 12.4526 13.2393 13.2430 13.9375 13.9397 14.9764 14.9850 15.1637 15.1893 16.2495 16.3062 16.6504 16.6722 16.9651 17.0003 k = 0.2500 1.2156-0.3539 ( 7136 PWs) bands (ev): -1.1283 -1.1281 -0.8840 -0.8830 -0.1900 -0.1892 0.0846 0.0861 0.4212 0.4218 0.7228 0.7260 2.3030 2.3036 2.3559 2.3564 5.1063 5.1191 5.5718 5.5891 6.1362 6.1372 6.9275 7.0546 7.1090 7.2564 7.6063 7.6937 8.1400 8.1864 8.7154 8.7227 9.0760 9.0880 9.5163 9.5198 10.3879 10.4536 10.9244 10.9514 11.2023 11.2028 11.4290 11.4933 12.1124 12.1261 12.2771 12.2932 13.1930 13.1973 13.9152 13.9165 14.9642 14.9680 15.2112 15.2237 16.2701 16.3152 16.7099 16.7369 16.9957 17.0451 k = 0.2250 1.2156-0.3539 ( 7128 PWs) bands (ev): -1.1500 -1.1498 -0.9025 -0.9016 -0.1464 -0.1456 0.1352 0.1369 0.4107 0.4112 0.7350 0.7382 2.2548 2.2554 2.3087 2.3090 5.0702 5.0815 5.5985 5.6147 6.1139 6.1152 6.9382 7.0314 7.1759 7.2890 7.7034 7.8105 8.1155 8.1874 8.7469 8.7487 9.1011 9.1083 9.5396 9.5433 10.4850 10.5565 10.8434 10.8625 11.1033 11.1383 11.5306 11.5585 12.0290 12.0437 12.1208 12.1391 13.1400 13.1450 13.8800 13.8807 14.9299 14.9405 15.2695 15.2736 16.2956 16.3303 16.7633 16.7964 17.0412 17.1045 k = 0.2000 1.2156-0.3539 ( 7128 PWs) bands (ev): -1.1696 -1.1693 -0.9197 -0.9189 -0.1036 -0.1029 0.1844 0.1861 0.4011 0.4015 0.7462 0.7494 2.2070 2.2075 2.2615 2.2617 5.0380 5.0478 5.6284 5.6435 6.0910 6.0926 6.9339 7.0022 7.2343 7.3219 7.7924 7.9292 8.0970 8.2052 8.7864 8.7886 9.1363 9.1386 9.5634 9.5677 10.5698 10.6388 10.7334 10.7709 11.0040 11.0732 11.6325 11.6410 11.9378 11.9490 12.0026 12.0194 13.0814 13.0869 13.8329 13.8331 14.8890 14.9021 15.3300 15.3304 16.3270 16.3532 16.8103 16.8485 17.1005 17.1755 k = 0.1750 1.2156-0.3539 ( 7126 PWs) bands (ev): -1.1869 -1.1868 -0.9353 -0.9346 -0.0628 -0.0621 0.2314 0.2331 0.3926 0.3928 0.7563 0.7594 2.1606 2.1610 2.2158 2.2159 5.0097 5.0183 5.6604 5.6743 6.0686 6.0706 6.9188 6.9691 7.2828 7.3514 7.8615 8.0146 8.1190 8.2503 8.8376 8.8422 9.1753 9.1775 9.5856 9.5906 10.5860 10.5871 10.6545 10.7969 10.9130 11.0280 11.6682 11.6723 11.8291 11.8389 11.9819 11.9932 13.0182 13.0242 13.7747 13.7749 14.8461 14.8593 15.3855 15.3882 16.3652 16.3849 16.8513 16.8928 17.1703 17.2543 k = 0.1500 1.2156-0.3539 ( 7130 PWs) bands (ev): -1.2021 -1.2020 -0.9491 -0.9485 -0.0246 -0.0240 0.2753 0.2769 0.3852 0.3853 0.7653 0.7682 2.1167 2.1171 2.1726 2.1727 4.9855 4.9928 5.6932 5.7059 6.0477 6.0499 6.8967 6.9337 7.3215 7.3756 7.9037 8.0171 8.2296 8.3284 8.9011 8.9068 9.2150 9.2214 9.6032 9.6091 10.4652 10.4658 10.6646 10.8037 10.9103 11.0248 11.5808 11.5908 11.7603 11.7753 12.0523 12.0585 12.9520 12.9586 13.7071 13.7073 14.8046 14.8167 15.4353 15.4391 16.4108 16.4258 16.8859 16.9288 17.2466 17.3373 k = 0.1250 1.2156-0.3539 ( 7122 PWs) bands (ev): -1.2150 -1.2149 -0.9610 -0.9605 0.0098 0.0103 0.3150 0.3165 0.3788 0.3790 0.7730 0.7757 2.0766 2.0769 2.1333 2.1333 4.9653 4.9714 5.7255 5.7368 6.0293 6.0316 6.8708 6.8978 7.3517 7.3939 7.9237 8.0007 8.3639 8.4332 8.9735 8.9790 9.2552 9.2650 9.6118 9.6188 10.3384 10.3397 10.6416 10.7281 10.9976 11.0633 11.4556 11.4677 11.7090 11.7231 12.1656 12.1669 12.8851 12.8922 13.6320 13.6322 14.7667 14.7772 15.4771 15.4811 16.4631 16.4753 16.9133 16.9559 17.3258 17.4212 k = 0.1000 1.2156-0.3539 ( 7112 PWs) bands (ev): -1.2256 -1.2255 -0.9708 -0.9704 0.0396 0.0400 0.3496 0.3507 0.3737 0.3741 0.7794 0.7819 2.0414 2.0416 2.0990 2.0991 4.9491 4.9539 5.7555 5.7651 6.0141 6.0163 6.8442 6.8635 7.3746 7.4067 7.9314 7.9836 8.5016 8.5527 9.0497 9.0532 9.2939 9.3054 9.6056 9.6137 10.2210 10.2238 10.6006 10.6579 11.0759 11.1140 11.3415 11.3556 11.6626 11.6753 12.2847 12.2869 12.8203 12.8279 13.5521 13.5523 14.7343 14.7428 15.5099 15.5136 16.5198 16.5305 16.9327 16.9731 17.4052 17.5032 k = 0.0750 1.2156-0.3539 ( 7116 PWs) bands (ev): -1.2339 -1.2338 -0.9785 -0.9782 0.0638 0.0642 0.3683 0.3688 0.3789 0.3808 0.7846 0.7866 2.0124 2.0126 2.0710 2.0710 4.9367 4.9403 5.7814 5.7891 6.0026 6.0046 6.8199 6.8329 7.3917 7.4149 7.9338 7.9684 8.6363 8.6761 9.1220 9.1233 9.3299 9.3395 9.5787 9.5879 10.1239 10.1277 10.5602 10.6000 11.1112 11.1300 11.2758 11.2942 11.6231 11.6343 12.3985 12.4032 12.7610 12.7693 13.4720 13.4721 14.7083 14.7148 15.5340 15.5370 16.5769 16.5867 16.9440 16.9797 17.4825 17.5799 k = 0.0500 1.2156-0.3539 ( 7128 PWs) bands (ev): -1.2398 -1.2397 -0.9840 -0.9838 0.0818 0.0821 0.3661 0.3662 0.3999 0.4009 0.7884 0.7898 1.9908 1.9909 2.0502 2.0502 4.9282 4.9306 5.8015 5.8069 5.9949 5.9964 6.8004 6.8085 7.4040 7.4191 7.9349 7.9561 8.7604 8.7913 9.1766 9.1861 9.3627 9.3638 9.5310 9.5417 10.0552 10.0588 10.5304 10.5567 11.0753 11.0846 11.2899 11.3063 11.5926 11.6017 12.4985 12.5056 12.7109 12.7201 13.3989 13.3989 14.6897 14.6940 15.5504 15.5525 16.6285 16.6371 16.9488 16.9765 17.5557 17.6461 k = 0.0250 1.2156-0.3539 ( 7120 PWs) bands (ev): -1.2433 -1.2433 -0.9873 -0.9872 0.0930 0.0931 0.3645 0.3645 0.4132 0.4137 0.7908 0.7916 1.9774 1.9775 2.0374 2.0374 4.9233 4.9245 5.8146 5.8174 5.9909 5.9918 6.7883 6.7922 7.4125 7.4199 7.9367 7.9468 8.8591 8.8786 9.2118 9.2264 9.3776 9.3892 9.4779 9.4907 10.0162 10.0185 10.5153 10.5287 11.0316 11.0363 11.3229 11.3320 11.5736 11.5790 12.5748 12.5837 12.6723 12.6822 13.3446 13.3446 14.6788 14.6809 15.5600 15.5610 16.6669 16.6725 16.9511 16.9668 17.6223 17.6871 k = 0.0000 1.2156-0.3539 ( 7114 PWs) bands (ev): -1.2445 -1.2445 -0.9884 -0.9884 0.0968 0.0968 0.3639 0.3639 0.4178 0.4178 0.7919 0.7919 1.9729 1.9729 2.0330 2.0330 4.9221 4.9221 5.8200 5.8200 5.9900 5.9900 6.7854 6.7854 7.4177 7.4177 7.9404 7.9404 8.9063 8.9063 9.2313 9.2313 9.3915 9.3915 9.4599 9.4599 10.0045 10.0045 10.5150 10.5150 11.0164 11.0164 11.3396 11.3396 11.5688 11.5688 12.6163 12.6163 12.6554 12.6554 13.3239 13.3239 14.6758 14.6758 15.5634 15.5634 16.6834 16.6834 16.9567 16.9567 17.6745 17.6745 k = 0.0000 1.2156-0.3539 ( 7114 PWs) bands (ev): -1.2445 -1.2445 -0.9884 -0.9884 0.0968 0.0968 0.3639 0.3639 0.4178 0.4178 0.7919 0.7919 1.9729 1.9729 2.0330 2.0330 4.9221 4.9221 5.8200 5.8200 5.9900 5.9900 6.7854 6.7854 7.4177 7.4177 7.9404 7.9404 8.9063 8.9063 9.2313 9.2313 9.3915 9.3915 9.4599 9.4599 10.0045 10.0045 10.5150 10.5150 11.0164 11.0164 11.3396 11.3396 11.5688 11.5688 12.6163 12.6163 12.6554 12.6554 13.3239 13.3239 14.6758 14.6758 15.5634 15.5634 16.6834 16.6834 16.9567 16.9567 17.6745 17.6745 k = 0.0000 1.2226-0.3299 ( 7126 PWs) bands (ev): -1.2437 -1.2434 -0.9884 -0.9881 0.0965 0.0978 0.3584 0.3595 0.4193 0.4194 0.7904 0.7918 1.9693 1.9711 2.0350 2.0363 4.9221 4.9251 5.8217 5.8260 5.9839 5.9892 6.7878 6.7951 7.3991 7.4117 7.9521 7.9649 8.8987 8.9040 9.2169 9.2360 9.3507 9.4193 9.4350 9.4963 10.0066 10.0200 10.4967 10.5324 11.0142 11.0202 11.3180 11.3321 11.5770 11.5906 12.5543 12.5789 12.6786 12.7113 13.3250 13.3283 14.6594 14.6719 15.5609 15.5854 16.6429 16.6886 16.9537 16.9807 17.6066 17.7108 k = 0.0000 1.2296-0.3059 ( 7122 PWs) bands (ev): -1.2409 -1.2403 -0.9880 -0.9874 0.0970 0.0996 0.3438 0.3458 0.4229 0.4231 0.7872 0.7901 1.9613 1.9645 2.0416 2.0437 4.9256 4.9314 5.8291 5.8397 5.9710 5.9834 6.8017 6.8168 7.3622 7.3857 7.9960 8.0190 8.8800 8.8917 9.1964 9.2266 9.3143 9.3861 9.4722 9.5293 10.0236 10.0527 10.4785 10.5475 11.0147 11.0243 11.2773 11.3021 11.6098 11.6322 12.4785 12.5057 12.7184 12.7603 13.3313 13.3376 14.6273 14.6509 15.5739 15.6211 16.5852 16.6553 16.9772 17.0080 17.5342 17.6514 k = 0.0000 1.2366-0.2819 ( 7120 PWs) bands (ev): -1.2362 -1.2354 -0.9874 -0.9864 0.0982 0.1021 0.3218 0.3245 0.4275 0.4280 0.7824 0.7867 1.9501 1.9540 2.0514 2.0537 4.9334 4.9416 5.8377 5.8590 5.9527 5.9763 6.8249 6.8488 7.3181 7.3518 8.0615 8.0920 8.8489 8.8680 9.1698 9.2079 9.2822 9.3609 9.5078 9.5602 10.0514 10.0993 10.4611 10.5587 11.0176 11.0266 11.2288 11.2635 11.6545 11.6829 12.3952 12.4273 12.7441 12.7957 13.3418 13.3510 14.5885 14.6216 15.5910 15.6578 16.5241 16.6017 17.0127 17.0278 17.4644 17.5643 k = 0.0000 1.2436-0.2579 ( 7131 PWs) bands (ev): -1.2297 -1.2286 -0.9865 -0.9852 0.0999 0.1052 0.2936 0.2970 0.4326 0.4337 0.7762 0.7819 1.9359 1.9404 2.0634 2.0657 4.9465 4.9569 5.8407 5.8793 5.9323 5.9734 6.8551 6.8891 7.2761 7.3209 8.1390 8.1754 8.8051 8.8305 9.1386 9.1927 9.2498 9.3456 9.5405 9.5911 10.0860 10.1549 10.4452 10.5649 11.0194 11.0240 11.1815 11.2268 11.7026 11.7373 12.3070 12.3463 12.7548 12.8153 13.3549 13.3666 14.5518 14.5937 15.5986 15.6811 16.4681 16.5450 17.0315 17.0529 17.4033 17.4791 k = 0.0000 1.2506-0.2339 ( 7134 PWs) bands (ev): -1.2215 -1.2201 -0.9857 -0.9840 0.1019 0.1088 0.2603 0.2645 0.4384 0.4400 0.7686 0.7757 1.9188 1.9237 2.0770 2.0791 4.9660 4.9781 5.8333 5.8850 5.9233 5.9776 6.8898 6.9355 7.2435 7.3011 8.2220 8.2632 8.7496 8.7784 9.1108 9.1838 9.2181 9.3361 9.5713 9.6237 10.1241 10.2142 10.4314 10.5651 11.0082 11.0131 11.1471 11.2010 11.7482 11.7916 12.2165 12.2660 12.7510 12.8185 13.3688 13.3825 14.5240 14.5743 15.5865 15.6790 16.4222 16.4952 17.0255 17.0846 17.3552 17.4087 k = 0.0000 1.2576-0.2099 ( 7117 PWs) bands (ev): -1.2118 -1.2101 -0.9850 -0.9828 0.1038 0.1126 0.2231 0.2284 0.4446 0.4468 0.7598 0.7682 1.8986 1.9037 2.0921 2.0939 4.9928 5.0062 5.8166 5.8650 5.9344 5.9851 6.9278 6.9857 7.2259 7.2972 8.3058 8.3509 8.6851 8.7137 9.0914 9.1752 9.1936 9.3298 9.6009 9.6587 10.1631 10.2719 10.4210 10.5592 10.9749 10.9891 11.1342 11.1938 11.7832 11.8408 12.1282 12.1930 12.7350 12.8068 13.3813 13.3962 14.5082 14.5665 15.5513 15.6467 16.3868 16.4548 17.0078 17.1011 17.3243 17.3682 k = 0.0000 1.2646-0.1859 ( 7119 PWs) bands (ev): -1.2010 -1.1989 -0.9846 -0.9820 0.1043 0.1159 0.1839 0.1911 0.4514 0.4541 0.7501 0.7598 1.8749 1.8803 2.1085 2.1099 5.0272 5.0415 5.7949 5.8389 5.9438 5.9895 6.9693 7.0378 7.2273 7.3110 8.3864 8.4338 8.6150 8.6410 9.0811 9.1551 9.1885 9.3261 9.6301 9.6963 10.2007 10.3204 10.4188 10.5476 10.9265 10.9532 11.1343 11.2055 11.7944 11.8690 12.0575 12.1404 12.7103 12.7835 13.3904 13.4057 14.5043 14.5697 15.4972 15.5886 16.3590 16.4209 16.9818 17.0882 17.3221 17.3629 k = 0.0000 1.2715-0.1618 ( 7119 PWs) bands (ev): -1.1894 -1.1869 -0.9845 -0.9814 0.0999 0.1153 0.1471 0.1575 0.4585 0.4618 0.7398 0.7507 1.8479 1.8535 2.1261 2.1271 5.0692 5.0840 5.7716 5.8127 5.9445 5.9865 7.0153 7.0897 7.2502 7.3415 8.4560 8.4971 8.5498 8.5726 9.0788 9.1348 9.1915 9.3253 9.6591 9.7370 10.2340 10.3465 10.4363 10.5317 10.8740 10.9114 11.1380 11.2282 11.7674 11.8380 12.0421 12.1226 12.6811 12.7529 13.3945 13.4092 14.5089 14.5802 15.4328 15.5151 16.3351 16.3898 16.9517 17.0521 17.3410 17.3886 k = 0.0000 1.2785-0.1378 ( 7129 PWs) bands (ev): -1.1778 -1.1750 -0.9847 -0.9810 0.0812 0.0920 0.1322 0.1385 0.4658 0.4695 0.7291 0.7411 1.8175 1.8234 2.1449 2.1457 5.1180 5.1327 5.7488 5.7881 5.9358 5.9748 7.0659 7.1393 7.2950 7.3868 8.4483 8.4588 8.5517 8.5944 9.0828 9.1208 9.1973 9.3274 9.6880 9.7804 10.2572 10.3543 10.4676 10.5168 10.8240 10.8681 11.1411 11.2535 11.7062 11.7565 12.0734 12.1369 12.6521 12.7192 13.3923 13.4057 14.5169 14.5919 15.3682 15.4390 16.3128 16.3600 16.9218 17.0109 17.3595 17.4348 k = 0.0000 1.2855-0.1138 ( 7134 PWs) bands (ev): -1.1675 -1.1643 -0.9845 -0.9804 0.0492 0.0547 0.1306 0.1353 0.4729 0.4771 0.7185 0.7316 1.7844 1.7905 2.1650 2.1654 5.1720 5.1859 5.7278 5.7660 5.9197 5.9559 7.1187 7.1848 7.3602 7.4453 8.3742 8.3831 8.6042 8.6483 9.0896 9.1166 9.2048 9.3322 9.7169 9.8257 10.2616 10.3631 10.4738 10.5297 10.7812 10.8264 11.1410 11.2749 11.6284 11.6617 12.1157 12.1669 12.6269 12.6864 13.3832 13.3946 14.5217 14.5979 15.3129 15.3718 16.2923 16.3329 16.8961 16.9747 17.3692 17.4813 k = 0.0000 1.2925-0.0898 ( 7134 PWs) bands (ev): -1.1602 -1.1568 -0.9829 -0.9784 0.0148 0.0182 0.1300 0.1365 0.4795 0.4842 0.7086 0.7225 1.7490 1.7554 2.1863 2.1865 5.2285 5.2409 5.7096 5.7470 5.9004 5.9336 7.1695 7.2245 7.4428 7.5165 8.2974 8.3052 8.6518 8.6928 9.0956 9.1241 9.2137 9.3384 9.7451 9.8709 10.2479 10.3700 10.4657 10.5620 10.7492 10.7882 11.1351 11.2868 11.5473 11.5697 12.1569 12.2004 12.6083 12.6569 13.3673 13.3765 14.5178 14.5919 15.2741 15.3229 16.2751 16.3104 16.8779 16.9479 17.3674 17.5059 k = 0.0000 1.2995-0.0658 ( 7132 PWs) bands (ev): -1.1583 -1.1549 -0.9781 -0.9734 -0.0170 -0.0146 0.1293 0.1371 0.4850 0.4903 0.6998 0.7144 1.7121 1.7189 2.2088 2.2090 5.2833 5.2931 5.6949 5.7317 5.8839 5.9133 7.2134 7.2569 7.5389 7.5995 8.2232 8.2318 8.6886 8.7259 9.1027 9.1384 9.2237 9.3441 9.7708 9.9120 10.2256 10.3576 10.4783 10.5894 10.7307 10.7558 11.1215 11.2832 11.4692 11.4929 12.1930 12.2303 12.5967 12.6324 13.3459 13.3528 14.5027 14.5712 15.2554 15.2965 16.2634 16.2942 16.8695 16.9325 17.3574 17.4990 k = 0.0000 1.3065-0.0418 ( 7129 PWs) bands (ev): -1.1642 -1.1611 -0.9681 -0.9637 -0.0442 -0.0422 0.1273 0.1362 0.4890 0.4951 0.6927 0.7077 1.6747 1.6818 2.2324 2.2328 5.3303 5.3362 5.6842 5.7201 5.8779 5.9020 7.2470 7.2811 7.6429 7.6904 8.1568 8.1669 8.7138 8.7474 9.1109 9.1554 9.2353 9.3472 9.7902 9.9426 10.2042 10.3319 10.5089 10.6065 10.7153 10.7420 11.1015 11.2580 11.4035 11.4364 12.2222 12.2521 12.5912 12.6134 13.3212 13.3260 14.4782 14.5388 15.2550 15.2906 16.2594 16.2858 16.8720 16.9290 17.3456 17.4782 k = 0.0000 1.3135-0.0178 ( 7125 PWs) bands (ev): -1.1791 -1.1767 -0.9522 -0.9483 -0.0655 -0.0637 0.1234 0.1330 0.4908 0.4979 0.6879 0.7032 1.6378 1.6452 2.2572 2.2578 5.3619 5.3638 5.6774 5.7121 5.8893 5.9085 7.2691 7.2965 7.7447 7.7778 8.1098 8.1186 8.7267 8.7570 9.1155 9.1737 9.2505 9.3468 9.7968 9.9546 10.1925 10.3085 10.5474 10.6158 10.6921 10.7532 11.0788 11.2146 11.3564 11.3962 12.2430 12.2632 12.5891 12.5995 13.2961 13.2995 14.4490 14.5013 15.2681 15.2996 16.2644 16.2862 16.8853 16.9371 17.3384 17.4596 k = 0.0000 1.3205 0.0062 ( 7123 PWs) bands (ev): -1.2033 -1.2015 -0.9307 -0.9275 -0.0803 -0.0786 0.1172 0.1271 0.4896 0.4980 0.6859 0.7012 1.6026 1.6103 2.2831 2.2839 5.3707 5.3751 5.6737 5.7073 5.9216 5.9396 7.2797 7.3032 7.8210 7.8329 8.1088 8.1101 8.7256 8.7539 9.1115 9.1892 9.2723 9.3464 9.7843 9.9422 10.1963 10.2969 10.5876 10.6253 10.6714 10.7703 11.0558 11.1701 11.3244 11.3659 12.2536 12.2623 12.5848 12.5932 13.2742 13.2767 14.4202 14.4653 15.2889 15.3173 16.2786 16.2963 16.9081 16.9552 17.3409 17.4496 k = 0.5000 1.1108 0.7139 ( 7142 PWs) bands (ev): -0.7800 -0.7800 -0.7580 -0.7580 -0.3588 -0.3588 -0.3383 -0.3383 0.2148 0.2148 0.2269 0.2269 2.6455 2.6455 2.6620 2.6620 5.9116 5.9116 6.0211 6.0211 6.5502 6.5503 6.6235 6.6235 6.8573 6.8573 6.9374 6.9375 7.7695 7.7695 7.7997 7.7998 10.1578 10.1578 10.2404 10.2405 10.8107 10.8107 10.8545 10.8545 11.2315 11.2315 11.3308 11.3308 12.1273 12.1273 12.2489 12.2489 13.3402 13.3402 13.4139 13.4139 15.3124 15.3124 15.4564 15.4564 16.2452 16.2452 16.4702 16.4702 16.9353 16.9353 k = 0.5000 1.0850 0.7139 ( 7134 PWs) bands (ev): -0.7904 -0.7904 -0.7670 -0.7669 -0.4357 -0.4356 -0.4159 -0.4159 0.2359 0.2359 0.2492 0.2492 2.6449 2.6449 2.6602 2.6602 5.9789 5.9789 6.0949 6.0949 6.5769 6.5769 6.6448 6.6449 6.9131 6.9131 6.9782 6.9783 7.8026 7.8026 7.8307 7.8307 10.1077 10.1077 10.2067 10.2067 10.8013 10.8013 10.8364 10.8364 11.2722 11.2722 11.3511 11.3511 12.1530 12.1530 12.2465 12.2465 13.3378 13.3378 13.4172 13.4172 15.2573 15.2573 15.4092 15.4092 16.1869 16.1870 16.4048 16.4048 16.9670 16.9670 k = 0.5000 1.0592 0.7139 ( 7126 PWs) bands (ev): -0.8233 -0.8233 -0.7996 -0.7996 -0.5093 -0.5093 -0.4909 -0.4909 0.2739 0.2740 0.2879 0.2879 2.6432 2.6433 2.6575 2.6575 6.0382 6.0382 6.1598 6.1598 6.6001 6.6001 6.6625 6.6626 6.9795 6.9795 7.0312 7.0313 7.8577 7.8577 7.8839 7.8839 10.0491 10.0492 10.1614 10.1615 10.7650 10.7650 10.7929 10.7930 11.3391 11.3391 11.4069 11.4069 12.1872 12.1872 12.2566 12.2566 13.3306 13.3306 13.4162 13.4162 15.2033 15.2033 15.3622 15.3622 16.1306 16.1306 16.3379 16.3380 17.0098 17.0098 k = 0.5000 1.0333 0.7139 ( 7124 PWs) bands (ev): -0.8746 -0.8746 -0.8518 -0.8518 -0.5805 -0.5805 -0.5641 -0.5641 0.3254 0.3255 0.3397 0.3397 2.6411 2.6411 2.6545 2.6546 6.0834 6.0835 6.2070 6.2070 6.6327 6.6327 6.6878 6.6878 7.0528 7.0529 7.0939 7.0939 7.9322 7.9322 7.9576 7.9576 9.9844 9.9844 10.1070 10.1071 10.7105 10.7106 10.7379 10.7379 11.4211 11.4211 11.4846 11.4846 12.2278 12.2278 12.2773 12.2773 13.3191 13.3191 13.4115 13.4115 15.1510 15.1510 15.3161 15.3161 16.0768 16.0768 16.2720 16.2720 17.0615 17.0615 k = 0.5000 1.0075 0.7139 ( 7128 PWs) bands (ev): -0.9391 -0.9391 -0.9178 -0.9178 -0.6507 -0.6507 -0.6364 -0.6364 0.3861 0.3862 0.4004 0.4005 2.6390 2.6390 2.6519 2.6519 6.1097 6.1097 6.2292 6.2292 6.6853 6.6853 6.7298 6.7299 7.1318 7.1318 7.1641 7.1641 8.0231 8.0231 8.0490 8.0490 9.9152 9.9153 10.0460 10.0460 10.6442 10.6442 10.6805 10.6805 11.5110 11.5110 11.5740 11.5740 12.2724 12.2724 12.3064 12.3065 13.3040 13.3040 13.4039 13.4039 15.1008 15.1008 15.2713 15.2713 16.0264 16.0264 16.2085 16.2085 17.1204 17.1204 k = 0.5000 0.9817 0.7139 ( 7126 PWs) bands (ev): -1.0125 -1.0125 -0.9927 -0.9927 -0.7210 -0.7210 -0.7086 -0.7086 0.4520 0.4520 0.4663 0.4663 2.6377 2.6377 2.6502 2.6502 6.1159 6.1159 6.2269 6.2269 6.7598 6.7598 6.7930 6.7930 7.2160 7.2160 7.2407 7.2407 8.1276 8.1276 8.1550 8.1551 9.8434 9.8435 9.9805 9.9805 10.5725 10.5726 10.6228 10.6228 11.6048 11.6048 11.6694 11.6694 12.3192 12.3192 12.3416 12.3416 13.2858 13.2858 13.3944 13.3944 15.0533 15.0533 15.2283 15.2283 15.9802 15.9802 16.1483 16.1484 17.1854 17.1854 k = 0.5000 0.9558 0.7139 ( 7138 PWs) bands (ev): -1.0913 -1.0913 -1.0729 -1.0729 -0.7920 -0.7920 -0.7811 -0.7811 0.5197 0.5197 0.5340 0.5340 2.6378 2.6379 2.6502 2.6502 6.1054 6.1054 6.2071 6.2071 6.8504 6.8504 6.8769 6.8769 7.3051 7.3051 7.3232 7.3232 8.2431 8.2432 8.2725 8.2725 9.7705 9.7705 9.9125 9.9125 10.4998 10.4999 10.5657 10.5658 11.6996 11.6996 11.7673 11.7673 12.3660 12.3660 12.3806 12.3806 13.2654 13.2654 13.3838 13.3838 15.0092 15.0092 15.1878 15.1878 15.9391 15.9391 16.0924 16.0924 17.2553 17.2553 k = 0.5000 0.9300 0.7139 ( 7136 PWs) bands (ev): -1.1733 -1.1733 -1.1560 -1.1560 -0.8638 -0.8638 -0.8540 -0.8540 0.5864 0.5865 0.6008 0.6008 2.6403 2.6403 2.6526 2.6526 6.0835 6.0835 6.1772 6.1772 6.9511 6.9511 6.9776 6.9776 7.3983 7.3983 7.4120 7.4120 8.3675 8.3676 8.3987 8.3987 9.6979 9.6979 9.8436 9.8437 10.4285 10.4285 10.5104 10.5105 11.7934 11.7934 11.8653 11.8653 12.4109 12.4109 12.4216 12.4216 13.2436 13.2436 13.3735 13.3735 14.9689 14.9689 15.1500 15.1500 15.9038 15.9038 16.0413 16.0414 17.3288 17.3288 k = 0.5000 0.9042 0.7139 ( 7144 PWs) bands (ev): -1.2568 -1.2568 -1.2404 -1.2404 -0.9360 -0.9360 -0.9272 -0.9272 0.6501 0.6501 0.6646 0.6646 2.6457 2.6457 2.6582 2.6582 6.0552 6.0552 6.1426 6.1426 7.0589 7.0589 7.0899 7.0899 7.4939 7.4939 7.5081 7.5082 8.4987 8.4987 8.5309 8.5309 9.6273 9.6273 9.7755 9.7756 10.3601 10.3601 10.4582 10.4582 11.8844 11.8845 11.9616 11.9616 12.4516 12.4516 12.4635 12.4635 13.2212 13.2212 13.3643 13.3644 14.9333 14.9333 15.1156 15.1156 15.8752 15.8752 15.9956 15.9956 17.4047 17.4047 k = 0.5000 0.8783 0.7139 ( 7150 PWs) bands (ev): -1.3409 -1.3409 -1.3252 -1.3252 -1.0085 -1.0085 -1.0003 -1.0003 0.7090 0.7090 0.7237 0.7237 2.6548 2.6548 2.6676 2.6676 6.0242 6.0242 6.1068 6.1068 7.1722 7.1723 7.2089 7.2090 7.5914 7.5914 7.6113 7.6114 8.6343 8.6344 8.6665 8.6665 9.5608 9.5609 9.7097 9.7097 10.2959 10.2959 10.4104 10.4104 11.9712 11.9712 12.0544 12.0544 12.4874 12.4874 12.5039 12.5039 13.1991 13.1991 13.3575 13.3575 14.9030 14.9030 15.0848 15.0848 15.8539 15.8539 15.9558 15.9558 17.4817 17.4817 k = 0.5000 0.8525 0.7139 ( 7158 PWs) bands (ev): -1.4248 -1.4248 -1.4097 -1.4097 -1.0808 -1.0808 -1.0731 -1.0731 0.7618 0.7618 0.7767 0.7767 2.6681 2.6681 2.6812 2.6812 5.9933 5.9933 6.0722 6.0722 7.2893 7.2893 7.3317 7.3318 7.6919 7.6919 7.7199 7.7199 8.7716 8.7716 8.8021 8.8022 9.5019 9.5019 9.6479 9.6479 10.2371 10.2372 10.3685 10.3685 12.0521 12.0521 12.1419 12.1419 12.5182 12.5182 12.5413 12.5413 13.1782 13.1782 13.3538 13.3538 14.8789 14.8789 15.0580 15.0580 15.8405 15.8405 15.9224 15.9224 17.5582 17.5582 k = 0.5000 0.8267 0.7139 ( 7162 PWs) bands (ev): -1.5079 -1.5079 -1.4934 -1.4933 -1.1527 -1.1527 -1.1454 -1.1454 0.8075 0.8075 0.8226 0.8226 2.6858 2.6858 2.6993 2.6993 5.9644 5.9644 6.0407 6.0407 7.4079 7.4080 7.4559 7.4560 7.7957 7.7958 7.8325 7.8325 8.9041 8.9041 8.9340 8.9340 9.4567 9.4567 9.5932 9.5932 10.1854 10.1854 10.3343 10.3343 12.1256 12.1256 12.2219 12.2219 12.5436 12.5436 12.5750 12.5750 13.1593 13.1593 13.3536 13.3536 14.8616 14.8616 15.0355 15.0355 15.8357 15.8357 15.8960 15.8960 17.6326 17.6326 k = 0.5000 0.8008 0.7139 ( 7168 PWs) bands (ev): -1.5899 -1.5899 -1.5758 -1.5758 -1.2239 -1.2239 -1.2169 -1.2169 0.8456 0.8456 0.8608 0.8608 2.7079 2.7079 2.7218 2.7218 5.9390 5.9390 6.0135 6.0135 7.5261 7.5261 7.5791 7.5791 7.9033 7.9034 7.9482 7.9482 9.0131 9.0131 9.0609 9.0609 9.4376 9.4376 9.5520 9.5520 10.1426 10.1426 10.3097 10.3097 12.1902 12.1902 12.2920 12.2920 12.5639 12.5639 12.6059 12.6059 13.1431 13.1431 13.3568 13.3568 14.8517 14.8517 15.0174 15.0174 15.8397 15.8397 15.8774 15.8774 17.7035 17.7035 k = 0.5000 0.7750 0.7139 ( 7172 PWs) bands (ev): -1.6704 -1.6704 -1.6568 -1.6568 -1.2941 -1.2941 -1.2875 -1.2874 0.8757 0.8758 0.8910 0.8910 2.7341 2.7342 2.7484 2.7484 5.9185 5.9185 5.9917 5.9917 7.6411 7.6411 7.6987 7.6987 8.0150 8.0151 8.0660 8.0661 9.0733 9.0733 9.1752 9.1752 9.4574 9.4574 9.5422 9.5422 10.1120 10.1121 10.2972 10.2972 12.2443 12.2443 12.3491 12.3491 12.5801 12.5801 12.6353 12.6353 13.1300 13.1300 13.3626 13.3626 14.8498 14.8498 15.0038 15.0038 15.8503 15.8503 15.8696 15.8696 17.7700 17.7700 k = 0.5000 0.7492 0.7139 ( 7170 PWs) bands (ev): -1.7493 -1.7493 -1.7361 -1.7360 -1.3632 -1.3632 -1.3568 -1.3568 0.8981 0.8981 0.9134 0.9134 2.7639 2.7639 2.7784 2.7784 5.9036 5.9036 5.9761 5.9761 7.7499 7.7499 7.8119 7.8119 8.1312 8.1313 8.1851 8.1851 9.0857 9.0857 9.2487 9.2487 9.5102 9.5103 9.5932 9.5932 10.0991 10.0991 10.2997 10.2997 12.2864 12.2865 12.3910 12.3910 12.5939 12.5939 12.6651 12.6651 13.1200 13.1200 13.3699 13.3699 14.8557 14.8557 14.9948 14.9948 15.8569 15.8569 15.8845 15.8845 17.8323 17.8323 k = 0.5000 0.7233 0.7139 ( 7174 PWs) bands (ev): -1.8264 -1.8263 -1.8135 -1.8135 -1.4309 -1.4309 -1.4247 -1.4247 0.9130 0.9130 0.9281 0.9282 2.7964 2.7964 2.8110 2.8110 5.8952 5.8953 5.9674 5.9674 7.8492 7.8492 7.9155 7.9156 8.2518 8.2518 8.3041 8.3041 9.0756 9.0756 9.2676 9.2676 9.6003 9.6003 9.6823 9.6824 10.1132 10.1132 10.3206 10.3206 12.3157 12.3157 12.4168 12.4168 12.6072 12.6072 12.6959 12.6959 13.1133 13.1133 13.3774 13.3775 14.8690 14.8690 14.9900 14.9900 15.8646 15.8646 15.9178 15.9178 17.8915 17.8915 k = 0.5000 0.6975 0.7139 ( 7180 PWs) bands (ev): -1.9014 -1.9014 -1.8889 -1.8889 -1.4972 -1.4972 -1.4912 -1.4912 0.9210 0.9210 0.9360 0.9360 2.8305 2.8305 2.8451 2.8451 5.8939 5.8939 5.9662 5.9662 7.9356 7.9356 8.0066 8.0066 8.3749 8.3749 8.4220 8.4220 9.0637 9.0637 9.2617 9.2618 9.7100 9.7100 9.7679 9.7679 10.1668 10.1668 10.3637 10.3637 12.3321 12.3321 12.4281 12.4281 12.6213 12.6213 12.7264 12.7264 13.1095 13.1095 13.3840 13.3840 14.8886 14.8886 14.9895 14.9895 15.8811 15.8811 15.9629 15.9629 17.9495 17.9495 k = 0.5000 0.6717 0.7139 ( 7178 PWs) bands (ev): -1.9743 -1.9743 -1.9621 -1.9621 -1.5618 -1.5618 -1.5560 -1.5559 0.9228 0.9228 0.9375 0.9376 2.8651 2.8651 2.8797 2.8797 5.9000 5.9000 5.9728 5.9728 8.0067 8.0067 8.0816 8.0816 8.4957 8.4957 8.5386 8.5387 9.0619 9.0619 9.2555 9.2555 9.8115 9.8115 9.8432 9.8432 10.2643 10.2643 10.4316 10.4316 12.3372 12.3372 12.4282 12.4282 12.6361 12.6361 12.7543 12.7543 13.1087 13.1087 13.3888 13.3888 14.9129 14.9129 14.9929 14.9929 15.9081 15.9081 16.0190 16.0190 18.0080 18.0081 k = 0.5000 0.6458 0.7139 ( 7184 PWs) bands (ev): -2.0449 -2.0449 -2.0332 -2.0331 -1.6246 -1.6246 -1.6190 -1.6190 0.9193 0.9193 0.9337 0.9337 2.8992 2.8992 2.9137 2.9137 5.9137 5.9137 5.9874 5.9874 8.0613 8.0613 8.1374 8.1374 8.6050 8.6050 8.6551 8.6551 9.0775 9.0775 9.2612 9.2613 9.8741 9.8741 9.9404 9.9405 10.3947 10.3947 10.5245 10.5245 12.3335 12.3335 12.4206 12.4206 12.6509 12.6509 12.7775 12.7775 13.1105 13.1105 13.3914 13.3914 14.9390 14.9390 15.0007 15.0007 15.9465 15.9465 16.0856 16.0856 18.0686 18.0687 k = 0.5000 0.6200 0.7139 ( 7180 PWs) bands (ev): -2.1133 -2.1132 -2.1019 -2.1018 -1.6856 -1.6856 -1.6801 -1.6801 0.9112 0.9112 0.9252 0.9252 2.9319 2.9319 2.9461 2.9461 5.9352 5.9352 6.0099 6.0099 8.0997 8.0997 8.1721 8.1721 8.6965 8.6965 8.7663 8.7664 9.1159 9.1159 9.2878 9.2878 9.9282 9.9282 10.0429 10.0430 10.5434 10.5434 10.6391 10.6391 12.3236 12.3236 12.4082 12.4082 12.6646 12.6646 12.7947 12.7947 13.1148 13.1148 13.3917 13.3917 14.9635 14.9635 15.0141 15.0141 15.9970 15.9970 16.1625 16.1625 18.1316 18.1316 k = 0.5000 0.5942 0.7139 ( 7180 PWs) bands (ev): -2.1792 -2.1792 -2.1682 -2.1681 -1.7446 -1.7446 -1.7393 -1.7393 0.8993 0.8993 0.9128 0.9128 2.9622 2.9622 2.9761 2.9761 5.9640 5.9640 6.0401 6.0401 8.1230 8.1230 8.1868 8.1868 8.7702 8.7702 8.8593 8.8593 9.1819 9.1819 9.3416 9.3416 9.9907 9.9907 10.1456 10.1456 10.7011 10.7011 10.7702 10.7703 12.3100 12.3100 12.3934 12.3934 12.6765 12.6765 12.8059 12.8060 13.1215 13.1215 13.3902 13.3902 14.9829 14.9829 15.0343 15.0343 16.0594 16.0594 16.2492 16.2492 18.1963 18.1963 k = 0.5000 0.5683 0.7139 ( 7182 PWs) bands (ev): -2.2426 -2.2426 -2.2320 -2.2320 -1.8015 -1.8015 -1.7964 -1.7964 0.8843 0.8844 0.8974 0.8974 2.9895 2.9896 3.0031 3.0031 5.9999 5.9999 6.0776 6.0776 8.1330 8.1331 8.1848 8.1848 8.8291 8.8291 8.9246 8.9247 9.2777 9.2777 9.4221 9.4221 10.0662 10.0662 10.2506 10.2507 10.8617 10.8617 10.9126 10.9126 12.2949 12.2949 12.3780 12.3780 12.6865 12.6865 12.8117 12.8117 13.1304 13.1304 13.3876 13.3876 14.9975 14.9975 15.0596 15.0597 16.1334 16.1334 16.3448 16.3448 18.2609 18.2609 k = 0.5000 0.5425 0.7139 ( 7180 PWs) bands (ev): -2.3035 -2.3035 -2.2933 -2.2932 -1.8563 -1.8563 -1.8514 -1.8514 0.8670 0.8670 0.8795 0.8795 3.0135 3.0135 3.0266 3.0266 6.0422 6.0423 6.1216 6.1216 8.1319 8.1319 8.1703 8.1703 8.8771 8.8771 8.9672 8.9673 9.3965 9.3965 9.5227 9.5227 10.1558 10.1558 10.3598 10.3598 11.0210 11.0210 11.0619 11.0619 12.2802 12.2802 12.3636 12.3636 12.6947 12.6947 12.8133 12.8133 13.1413 13.1413 13.3845 13.3845 15.0096 15.0096 15.0869 15.0869 16.2178 16.2178 16.4485 16.4485 18.3228 18.3228 k = 0.5000 0.5167 0.7139 ( 7190 PWs) bands (ev): -2.3618 -2.3618 -2.3520 -2.3520 -1.9089 -1.9089 -1.9042 -1.9042 0.8478 0.8478 0.8597 0.8597 3.0339 3.0340 3.0466 3.0466 6.0901 6.0901 6.1713 6.1713 8.1217 8.1217 8.1476 8.1476 8.9179 8.9179 8.9979 8.9979 9.5280 9.5280 9.6355 9.6356 10.2585 10.2586 10.4733 10.4733 11.1756 11.1757 11.2144 11.2145 12.2677 12.2677 12.3516 12.3517 12.7018 12.7018 12.8121 12.8121 13.1542 13.1542 13.3821 13.3821 15.0208 15.0208 15.1145 15.1145 16.3109 16.3109 16.5590 16.5590 18.3786 18.3786 k = 0.5000 0.4908 0.7139 ( 7196 PWs) bands (ev): -2.4174 -2.4174 -2.4080 -2.4080 -1.9593 -1.9592 -1.9548 -1.9548 0.8273 0.8274 0.8387 0.8387 3.0507 3.0507 3.0628 3.0629 6.1426 6.1426 6.2255 6.2255 8.1038 8.1038 8.1205 8.1206 8.9545 8.9545 9.0245 9.0245 9.6646 9.6646 9.7545 9.7545 10.3725 10.3725 10.5902 10.5902 11.3234 11.3234 11.3656 11.3657 12.2594 12.2594 12.3435 12.3435 12.7088 12.7088 12.8101 12.8101 13.1695 13.1695 13.3813 13.3813 15.0318 15.0318 15.1421 15.1421 16.4103 16.4103 16.6749 16.6749 18.4246 18.4246 k = 0.5000 0.4650 0.7139 ( 7200 PWs) bands (ev): -2.4704 -2.4704 -2.4615 -2.4614 -2.0073 -2.0073 -2.0030 -2.0030 0.8061 0.8061 0.8168 0.8168 3.0640 3.0640 3.0756 3.0756 6.1985 6.1986 6.2831 6.2831 8.0784 8.0784 8.0930 8.0930 8.9897 8.9898 9.0515 9.0516 9.8020 9.8020 9.8754 9.8754 10.4952 10.4952 10.7089 10.7089 11.4624 11.4625 11.5102 11.5102 12.2574 12.2575 12.3406 12.3406 12.7172 12.7172 12.8094 12.8094 13.1876 13.1876 13.3830 13.3830 15.0434 15.0434 15.1704 15.1704 16.5135 16.5135 16.7944 16.7944 18.4565 18.4565 k = 0.5000 0.4392 0.7139 ( 7198 PWs) bands (ev): -2.5207 -2.5207 -2.5122 -2.5121 -2.0529 -2.0529 -2.0488 -2.0488 0.7844 0.7844 0.7945 0.7945 3.0740 3.0740 3.0850 3.0850 6.2568 6.2568 6.3427 6.3428 8.0474 8.0474 8.0662 8.0662 9.0258 9.0258 9.0815 9.0815 9.9373 9.9373 9.9951 9.9952 10.6241 10.6241 10.8270 10.8270 11.5906 11.5906 11.6429 11.6429 12.2638 12.2638 12.3440 12.3440 12.7291 12.7291 12.8128 12.8129 13.2091 13.2091 13.3885 13.3885 15.0560 15.0560 15.2001 15.2001 16.6173 16.6173 16.9156 16.9156 18.4689 18.4689 k = 0.5000 0.4133 0.7139 ( 7190 PWs) bands (ev): -2.5682 -2.5682 -2.5601 -2.5601 -2.0962 -2.0961 -2.0923 -2.0923 0.7626 0.7626 0.7721 0.7721 3.0810 3.0810 3.0915 3.0915 6.3161 6.3161 6.4032 6.4032 8.0145 8.0145 8.0389 8.0389 9.0644 9.0644 9.1160 9.1160 10.0682 10.0682 10.1117 10.1117 10.7566 10.7566 10.9412 10.9412 11.7044 11.7044 11.7600 11.7600 12.2792 12.2792 12.3550 12.3550 12.7475 12.7475 12.8238 12.8238 13.2345 13.2345 13.3988 13.3988 15.0702 15.0702 15.2325 15.2325 16.7180 16.7181 17.0357 17.0357 18.4541 18.4541 k = 0.5000 0.3875 0.7139 ( 7182 PWs) bands (ev): -2.6129 -2.6129 -2.6053 -2.6053 -2.1369 -2.1369 -2.1333 -2.1333 0.7410 0.7410 0.7499 0.7500 3.0854 3.0854 3.0953 3.0953 6.3754 6.3754 6.4630 6.4630 7.9815 7.9816 8.0111 8.0112 9.1071 9.1071 9.1559 9.1559 10.1923 10.1923 10.2239 10.2239 10.8901 10.8901 11.0482 11.0482 11.7991 11.7991 11.8625 11.8625 12.3001 12.3001 12.3750 12.3750 12.7755 12.7755 12.8465 12.8465 13.2645 13.2645 13.4151 13.4151 15.0868 15.0868 15.2685 15.2685 16.8113 16.8113 17.1512 17.1512 18.4006 18.4006 k = 0.5000 0.3617 0.7139 ( 7188 PWs) bands (ev): -2.6548 -2.6548 -2.6477 -2.6477 -2.1752 -2.1752 -2.1718 -2.1718 0.7199 0.7199 0.7283 0.7283 3.0875 3.0875 3.0968 3.0968 6.4335 6.4335 6.5211 6.5211 7.9495 7.9495 7.9832 7.9832 9.1549 9.1549 9.2018 9.2018 10.3059 10.3059 10.3323 10.3323 11.0216 11.0216 11.1440 11.1440 11.8697 11.8697 11.9583 11.9583 12.3181 12.3181 12.4047 12.4047 12.8152 12.8152 12.8852 12.8852 13.2994 13.2995 13.4387 13.4387 15.1066 15.1066 15.3096 15.3096 16.8916 16.8916 17.2569 17.2569 18.3036 18.3036 k = 0.5000 0.3358 0.7139 ( 7188 PWs) bands (ev): -2.6939 -2.6939 -2.6873 -2.6873 -2.2110 -2.2110 -2.2078 -2.2078 0.6995 0.6995 0.7073 0.7073 3.0878 3.0878 3.0965 3.0965 6.4894 6.4895 6.5763 6.5763 7.9189 7.9190 7.9556 7.9556 9.2085 9.2085 9.2541 9.2541 10.4057 10.4057 10.4375 10.4375 11.1475 11.1475 11.2261 11.2261 11.9187 11.9187 12.0542 12.0542 12.3276 12.3276 12.4401 12.4401 12.8657 12.8657 12.9422 12.9422 13.3394 13.3394 13.4708 13.4708 15.1305 15.1305 15.3567 15.3567 16.9526 16.9526 17.3444 17.3444 18.1791 18.1792 k = 0.5000 0.3100 0.7139 ( 7190 PWs) bands (ev): -2.7302 -2.7302 -2.7240 -2.7240 -2.2442 -2.2442 -2.2412 -2.2412 0.6800 0.6800 0.6872 0.6872 3.0866 3.0866 3.0947 3.0947 6.5425 6.5425 6.6278 6.6278 7.8902 7.8903 7.9287 7.9287 9.2683 9.2683 9.3127 9.3127 10.4922 10.4922 10.5366 10.5366 11.2603 11.2603 11.2967 11.2968 11.9536 11.9537 12.1522 12.1522 12.3286 12.3286 12.4775 12.4775 12.9229 12.9229 13.0158 13.0158 13.3841 13.3841 13.5119 13.5119 15.1596 15.1596 15.4109 15.4109 16.9871 16.9871 17.3997 17.3997 18.0540 18.0540 k = 0.5000 0.2842 0.7139 ( 7186 PWs) bands (ev): -2.7636 -2.7636 -2.7579 -2.7579 -2.2749 -2.2748 -2.2721 -2.2721 0.6616 0.6616 0.6682 0.6682 3.0843 3.0843 3.0917 3.0917 6.5920 6.5920 6.6747 6.6747 7.8637 7.8637 7.9029 7.9029 9.3341 9.3341 9.3772 9.3772 10.5668 10.5668 10.6260 10.6261 11.3302 11.3302 11.3825 11.3825 11.9806 11.9806 12.2497 12.2497 12.3253 12.3253 12.5190 12.5190 12.9824 12.9824 13.0998 13.0999 13.4332 13.4332 13.5619 13.5619 15.1949 15.1949 15.4730 15.4730 16.9893 16.9893 17.4034 17.4034 17.9489 17.9489 k = 0.5000 0.2583 0.7139 ( 7186 PWs) bands (ev): -2.7941 -2.7941 -2.7889 -2.7889 -2.3029 -2.3029 -2.3004 -2.3003 0.6444 0.6444 0.6503 0.6504 3.0812 3.0812 3.0880 3.0880 6.6376 6.6376 6.7167 6.7167 7.8394 7.8394 7.8784 7.8784 9.4054 9.4054 9.4469 9.4470 10.6298 10.6298 10.7039 10.7039 11.3684 11.3684 11.4710 11.4710 12.0026 12.0026 12.2977 12.2977 12.3648 12.3648 12.5719 12.5720 13.0402 13.0402 13.1870 13.1870 13.4865 13.4865 13.6187 13.6187 15.2374 15.2374 15.5433 15.5433 16.9577 16.9577 17.3473 17.3473 17.8651 17.8651 k = 0.5000 0.2325 0.7139 ( 7182 PWs) bands (ev): -2.8217 -2.8217 -2.8170 -2.8170 -2.3283 -2.3283 -2.3260 -2.3260 0.6285 0.6285 0.6339 0.6339 3.0776 3.0776 3.0837 3.0837 6.6789 6.6789 6.7535 6.7535 7.8176 7.8176 7.8554 7.8555 9.4814 9.4814 9.5210 9.5210 10.6814 10.6814 10.7688 10.7688 11.3946 11.3946 11.5432 11.5432 12.0208 12.0208 12.2860 12.2860 12.4537 12.4537 12.6443 12.6443 13.0940 13.0940 13.2714 13.2714 13.5434 13.5434 13.6794 13.6794 15.2879 15.2879 15.6215 15.6215 16.8977 16.8977 17.2504 17.2505 17.7928 17.7928 k = 0.5000 0.2067 0.7139 ( 7188 PWs) bands (ev): -2.8464 -2.8464 -2.8422 -2.8422 -2.3511 -2.3511 -2.3490 -2.3490 0.6141 0.6141 0.6189 0.6189 3.0737 3.0737 3.0792 3.0792 6.7159 6.7159 6.7849 6.7849 7.7984 7.7984 7.8342 7.8342 9.5609 9.5609 9.5981 9.5981 10.7220 10.7220 10.8194 10.8194 11.4142 11.4142 11.5966 11.5967 12.0350 12.0350 12.2678 12.2678 12.5390 12.5390 12.7368 12.7368 13.1421 13.1421 13.3491 13.3491 13.6030 13.6030 13.7400 13.7400 15.3468 15.3468 15.7064 15.7064 16.8197 16.8197 17.1383 17.1384 17.7249 17.7249 k = 0.5000 0.1808 0.7139 ( 7180 PWs) bands (ev): -2.8682 -2.8682 -2.8645 -2.8645 -2.3712 -2.3712 -2.3694 -2.3694 0.6012 0.6012 0.6054 0.6054 3.0698 3.0698 3.0746 3.0746 6.7486 6.7486 6.8112 6.8112 7.7818 7.7818 7.8149 7.8149 9.6422 9.6422 9.6765 9.6765 10.7523 10.7523 10.8552 10.8552 11.4309 11.4309 11.6319 11.6319 12.0455 12.0455 12.2475 12.2475 12.6218 12.6218 12.8411 12.8412 13.1841 13.1841 13.4180 13.4180 13.6635 13.6635 13.7969 13.7970 15.4138 15.4138 15.7953 15.7953 16.7351 16.7352 17.0271 17.0271 17.6568 17.6568 k = 0.5000 0.1550 0.7139 ( 7176 PWs) bands (ev): -2.8871 -2.8871 -2.8839 -2.8839 -2.3886 -2.3886 -2.3870 -2.3870 0.5900 0.5900 0.5935 0.5935 3.0661 3.0661 3.0702 3.0702 6.7771 6.7772 6.8324 6.8324 7.7678 7.7678 7.7975 7.7975 9.7233 9.7233 9.7542 9.7542 10.7732 10.7732 10.8761 10.8761 11.4472 11.4472 11.6511 11.6512 12.0534 12.0534 12.2263 12.2263 12.7050 12.7050 12.9467 12.9467 13.2207 13.2207 13.4766 13.4766 13.7226 13.7226 13.8474 13.8474 15.4880 15.4880 15.8836 15.8837 16.6544 16.6544 16.9249 16.9249 17.5871 17.5871 k = 0.5000 0.1292 0.7139 ( 7182 PWs) bands (ev): -2.9031 -2.9031 -2.9004 -2.9004 -2.4034 -2.4034 -2.4020 -2.4020 0.5804 0.5804 0.5833 0.5834 3.0627 3.0627 3.0662 3.0662 6.8016 6.8016 6.8488 6.8488 7.7565 7.7565 7.7821 7.7822 9.8017 9.8017 9.8288 9.8288 10.7863 10.7863 10.8833 10.8833 11.4647 11.4647 11.6570 11.6570 12.0602 12.0602 12.2049 12.2049 12.7878 12.7879 13.0428 13.0428 13.2555 13.2555 13.5234 13.5234 13.7782 13.7782 13.8894 13.8895 15.5675 15.5675 15.9634 15.9634 16.5875 16.5875 16.8363 16.8364 17.5180 17.5180 k = 0.5000 0.1033 0.7139 ( 7178 PWs) bands (ev): -2.9161 -2.9161 -2.9139 -2.9139 -2.4155 -2.4154 -2.4144 -2.4143 0.5725 0.5725 0.5749 0.5749 3.0599 3.0599 3.0627 3.0627 6.8223 6.8223 6.8608 6.8608 7.7478 7.7478 7.7690 7.7690 9.8743 9.8743 9.8974 9.8974 10.7933 10.7933 10.8789 10.8789 11.4842 11.4842 11.6523 11.6523 12.0673 12.0673 12.1840 12.1840 12.8680 12.8680 13.1157 13.1158 13.2969 13.2969 13.5569 13.5569 13.8284 13.8284 13.9221 13.9221 15.6498 15.6498 16.0223 16.0223 16.5451 16.5451 16.7637 16.7638 17.4551 17.4551 k = 0.5000 0.0775 0.7139 ( 7174 PWs) bands (ev): -2.9261 -2.9261 -2.9245 -2.9245 -2.4248 -2.4248 -2.4240 -2.4239 0.5664 0.5664 0.5682 0.5682 3.0576 3.0576 3.0597 3.0597 6.8392 6.8393 6.8686 6.8686 7.7417 7.7418 7.7580 7.7580 9.9377 9.9377 9.9566 9.9566 10.7969 10.7969 10.8660 10.8660 11.5056 11.5056 11.6397 11.6397 12.0757 12.0757 12.1639 12.1639 12.9426 12.9426 13.1534 13.1534 13.3535 13.3535 13.5752 13.5752 13.8716 13.8716 13.9450 13.9450 15.7318 15.7318 16.0477 16.0477 16.5349 16.5349 16.7077 16.7078 17.4063 17.4063 k = 0.5000 0.0517 0.7139 ( 7178 PWs) bands (ev): -2.9333 -2.9332 -2.9321 -2.9321 -2.4315 -2.4315 -2.4308 -2.4308 0.5621 0.5621 0.5633 0.5633 3.0560 3.0560 3.0574 3.0575 6.8527 6.8527 6.8725 6.8725 7.7382 7.7383 7.7493 7.7494 9.9878 9.9878 10.0026 10.0026 10.7998 10.7998 10.8485 10.8485 11.5284 11.5284 11.6217 11.6217 12.0859 12.0859 12.1451 12.1451 13.0093 13.0093 13.1593 13.1593 13.4182 13.4182 13.5768 13.5768 13.9066 13.9066 13.9582 13.9582 15.8103 15.8103 16.0372 16.0373 16.5522 16.5522 16.6670 16.6670 17.3810 17.3810 k = 0.5000 0.0258 0.7139 ( 7170 PWs) bands (ev): -2.9374 -2.9374 -2.9368 -2.9368 -2.4355 -2.4355 -2.4350 -2.4350 0.5596 0.5596 0.5603 0.5603 3.0552 3.0552 3.0559 3.0559 6.8627 6.8628 6.8727 6.8727 7.7372 7.7372 7.7431 7.7431 10.0204 10.0204 10.0317 10.0318 10.8053 10.8053 10.8305 10.8305 11.5521 11.5521 11.6003 11.6003 12.0980 12.0980 12.1277 12.1277 13.0659 13.0659 13.1438 13.1438 13.4784 13.4785 13.5610 13.5610 13.9318 13.9318 13.9623 13.9624 15.8824 15.8824 16.0009 16.0010 16.5798 16.5798 16.6378 16.6378 17.3873 17.3873 k = 0.5000-0.0000 0.7139 ( 7168 PWs) bands (ev): -2.9388 -2.9388 -2.9384 -2.9384 -2.4368 -2.4368 -2.4364 -2.4364 0.5589 0.5589 0.5592 0.5592 3.0550 3.0550 3.0553 3.0553 6.8690 6.8690 6.8699 6.8699 7.7380 7.7380 7.7399 7.7399 10.0319 10.0319 10.0417 10.0417 10.8145 10.8145 10.8164 10.8164 11.5726 11.5726 11.5804 11.5804 12.1118 12.1118 12.1121 12.1121 13.1054 13.1054 13.1177 13.1177 13.5219 13.5219 13.5330 13.5330 13.9427 13.9427 13.9613 13.9613 15.9374 15.9374 15.9569 15.9569 16.5987 16.5987 16.6206 16.6206 17.4244 17.4244 k = 0.5000-0.0000 0.7139 ( 7168 PWs) bands (ev): -2.9388 -2.9388 -2.9384 -2.9384 -2.4368 -2.4368 -2.4364 -2.4364 0.5589 0.5589 0.5592 0.5592 3.0550 3.0550 3.0553 3.0553 6.8690 6.8690 6.8699 6.8699 7.7380 7.7380 7.7399 7.7399 10.0319 10.0319 10.0417 10.0417 10.8145 10.8145 10.8164 10.8164 11.5726 11.5726 11.5804 11.5804 12.1118 12.1118 12.1121 12.1121 13.1054 13.1054 13.1177 13.1177 13.5219 13.5219 13.5330 13.5330 13.9427 13.9427 13.9613 13.9613 15.9374 15.9374 15.9569 15.9569 16.5987 16.5987 16.6206 16.6206 17.4244 17.4244 k = 0.5000-0.0000 0.6884 ( 7168 PWs) bands (ev): -2.9497 -2.9496 -2.9489 -2.9488 -2.4240 -2.4240 -2.4229 -2.4229 0.5576 0.5576 0.5585 0.5585 3.0552 3.0552 3.0556 3.0556 6.8380 6.8380 6.8432 6.8432 7.7661 7.7661 7.7728 7.7729 10.0314 10.0314 10.0430 10.0430 10.7988 10.7988 10.8075 10.8075 11.5482 11.5482 11.5735 11.5735 12.1276 12.1276 12.1425 12.1425 13.1061 13.1062 13.1235 13.1235 13.5178 13.5178 13.5332 13.5332 13.9435 13.9435 13.9643 13.9643 15.9332 15.9332 15.9645 15.9645 16.5973 16.5973 16.6258 16.6258 17.4204 17.4204 k = 0.5000-0.0000 0.6629 ( 7170 PWs) bands (ev): -2.9790 -2.9789 -2.9777 -2.9777 -2.3879 -2.3878 -2.3861 -2.3860 0.5543 0.5543 0.5560 0.5560 3.0557 3.0557 3.0564 3.0564 6.7601 6.7601 6.7686 6.7687 7.8451 7.8451 7.8566 7.8566 10.0300 10.0300 10.0462 10.0462 10.7591 10.7591 10.7744 10.7744 11.5015 11.5015 11.5440 11.5440 12.1820 12.1820 12.2084 12.2084 13.1102 13.1102 13.1378 13.1378 13.5084 13.5084 13.5325 13.5325 13.9466 13.9466 13.9725 13.9725 15.9277 15.9277 15.9797 15.9797 16.5961 16.5961 16.6379 16.6379 17.4105 17.4106 k = 0.5000-0.0000 0.6374 ( 7174 PWs) bands (ev): -3.0207 -3.0206 -3.0191 -3.0191 -2.3343 -2.3342 -2.3319 -2.3318 0.5491 0.5491 0.5517 0.5517 3.0563 3.0563 3.0573 3.0573 6.6547 6.6547 6.6651 6.6651 7.9565 7.9565 7.9713 7.9713 10.0274 10.0274 10.0499 10.0499 10.6986 10.6986 10.7180 10.7180 11.4514 11.4514 11.5047 11.5047 12.2577 12.2577 12.2932 12.2932 13.1173 13.1174 13.1563 13.1564 13.4981 13.4981 13.5319 13.5320 13.9527 13.9528 13.9851 13.9851 15.9246 15.9246 15.9980 15.9981 16.5977 16.5977 16.6534 16.6534 17.3974 17.3974 k = 0.5000-0.0000 0.6119 ( 7172 PWs) bands (ev): -3.0693 -3.0693 -3.0677 -3.0676 -2.2687 -2.2686 -2.2658 -2.2658 0.5421 0.5422 0.5455 0.5455 3.0565 3.0565 3.0578 3.0578 6.5362 6.5362 6.5476 6.5476 8.0851 8.0852 8.1024 8.1024 10.0215 10.0215 10.0521 10.0521 10.6219 10.6219 10.6433 10.6433 11.4075 11.4075 11.4665 11.4665 12.3406 12.3406 12.3845 12.3845 13.1246 13.1246 13.1742 13.1742 13.4927 13.4927 13.5352 13.5352 13.9625 13.9626 14.0015 14.0015 15.9243 15.9243 16.0177 16.0178 16.6026 16.6026 16.6702 16.6702 17.3834 17.3834 k = 0.5000-0.0000 0.5864 ( 7176 PWs) bands (ev): -3.1214 -3.1214 -3.1197 -3.1197 -2.1947 -2.1946 -2.1915 -2.1914 0.5335 0.5335 0.5377 0.5377 3.0556 3.0556 3.0573 3.0573 6.4135 6.4135 6.4254 6.4254 8.2218 8.2219 8.2411 8.2411 10.0084 10.0084 10.0489 10.0490 10.5360 10.5360 10.5599 10.5599 11.3728 11.3728 11.4339 11.4339 12.4224 12.4224 12.4740 12.4740 13.1282 13.1282 13.1848 13.1848 13.4995 13.4995 13.5469 13.5469 13.9763 13.9763 14.0216 14.0216 15.9263 15.9263 16.0373 16.0374 16.6107 16.6107 16.6869 16.6870 17.3714 17.3715 k = 0.5000-0.0000 0.5609 ( 7168 PWs) bands (ev): -3.1747 -3.1747 -3.1730 -3.1730 -2.1146 -2.1146 -2.1111 -2.1110 0.5233 0.5233 0.5284 0.5284 3.0528 3.0528 3.0548 3.0549 6.2919 6.2919 6.3040 6.3041 8.3607 8.3607 8.3816 8.3816 9.9813 9.9813 10.0328 10.0328 10.4517 10.4517 10.4813 10.4814 11.3471 11.3471 11.4083 11.4083 12.4972 12.4972 12.5556 12.5556 13.1255 13.1256 13.1834 13.1834 13.5241 13.5241 13.5706 13.5707 13.9944 13.9944 14.0457 14.0457 15.9298 15.9298 16.0551 16.0552 16.6219 16.6219 16.7025 16.7025 17.3642 17.3642 k = 0.5000-0.0000 0.5354 ( 7170 PWs) bands (ev): -3.2279 -3.2279 -3.2262 -3.2262 -2.0299 -2.0299 -2.0261 -2.0260 0.5118 0.5118 0.5177 0.5177 3.0471 3.0471 3.0495 3.0495 6.1750 6.1750 6.1873 6.1873 8.4975 8.4975 8.5198 8.5198 9.9323 9.9323 9.9917 9.9917 10.3857 10.3857 10.4212 10.4212 11.3294 11.3294 11.3897 11.3897 12.5605 12.5605 12.6238 12.6238 13.1174 13.1175 13.1721 13.1721 13.5659 13.5659 13.6069 13.6069 14.0175 14.0176 14.0744 14.0744 15.9339 15.9339 16.0693 16.0693 16.6366 16.6366 16.7167 16.7167 17.3642 17.3642 k = 0.5000-0.0000 0.5099 ( 7176 PWs) bands (ev): -3.2802 -3.2802 -3.2786 -3.2785 -1.9415 -1.9415 -1.9374 -1.9373 0.4991 0.4991 0.5058 0.5058 3.0373 3.0373 3.0401 3.0401 6.0657 6.0657 6.0780 6.0780 8.6284 8.6284 8.6516 8.6516 9.8576 9.8576 9.9177 9.9177 10.3509 10.3510 10.3874 10.3875 11.3187 11.3187 11.3777 11.3777 12.6075 12.6075 12.6724 12.6724 13.1089 13.1090 13.1589 13.1590 13.6194 13.6194 13.6532 13.6532 14.0467 14.0467 14.1083 14.1083 15.9374 15.9374 16.0780 16.0780 16.6551 16.6552 16.7303 16.7303 17.3728 17.3728 k = 0.5000-0.0000 0.4844 ( 7170 PWs) bands (ev): -3.3310 -3.3309 -3.3294 -3.3294 -1.8501 -1.8500 -1.8456 -1.8455 0.4854 0.4854 0.4930 0.4930 3.0223 3.0223 3.0255 3.0255 5.9661 5.9661 5.9784 5.9785 8.7488 8.7488 8.7721 8.7721 9.7636 9.7636 9.8185 9.8185 10.3452 10.3453 10.3787 10.3788 11.3146 11.3146 11.3723 11.3723 12.6332 12.6333 12.6954 12.6954 13.1070 13.1071 13.1534 13.1535 13.6777 13.6777 13.7054 13.7054 14.0828 14.0828 14.1479 14.1479 15.9394 15.9394 16.0800 16.0800 16.6779 16.6780 16.7456 16.7456 17.3908 17.3908 k = 0.5000-0.0000 0.4589 ( 7176 PWs) bands (ev): -3.3800 -3.3799 -3.3785 -3.3784 -1.7560 -1.7560 -1.7512 -1.7512 0.4709 0.4709 0.4793 0.4793 3.0009 3.0009 3.0045 3.0045 5.8781 5.8781 5.8904 5.8905 8.8522 8.8522 8.8737 8.8737 9.6633 9.6633 9.7115 9.7116 10.3587 10.3587 10.3888 10.3889 11.3173 11.3173 11.3737 11.3738 12.6345 12.6345 12.6895 12.6896 13.1165 13.1165 13.1624 13.1624 13.7354 13.7355 13.7594 13.7594 14.1269 14.1269 14.1936 14.1936 15.9390 15.9390 16.0748 16.0749 16.7044 16.7045 16.7661 16.7661 17.4180 17.4180 k = 0.5000-0.0000 0.4334 ( 7172 PWs) bands (ev): -3.4268 -3.4268 -3.4254 -3.4254 -1.6598 -1.6598 -1.6546 -1.6546 0.4557 0.4557 0.4650 0.4650 2.9721 2.9721 2.9761 2.9761 5.8034 5.8034 5.8156 5.8157 8.9263 8.9263 8.9433 8.9433 9.5748 9.5748 9.6168 9.6168 10.3839 10.3839 10.4120 10.4120 11.3270 11.3270 11.3825 11.3825 12.6121 12.6121 12.6585 12.6585 13.1372 13.1372 13.1856 13.1856 13.7893 13.7894 13.8116 13.8116 14.1790 14.1790 14.2449 14.2449 15.9358 15.9358 16.0633 16.0633 16.7333 16.7333 16.7953 16.7954 17.4537 17.4537 k = 0.5000-0.0000 0.4080 ( 7168 PWs) bands (ev): -3.4715 -3.4715 -3.4702 -3.4701 -1.5618 -1.5618 -1.5562 -1.5562 0.4400 0.4400 0.4502 0.4502 2.9349 2.9350 2.9394 2.9394 5.7431 5.7431 5.7552 5.7552 8.9508 8.9508 8.9620 8.9620 9.5202 9.5202 9.5585 9.5586 10.4167 10.4168 10.4441 10.4441 11.3444 11.3444 11.3991 11.3991 12.5709 12.5709 12.6093 12.6093 13.1656 13.1657 13.2178 13.2178 13.8380 13.8380 13.8597 13.8597 14.2380 14.2381 14.3011 14.3011 15.9302 15.9302 16.0471 16.0471 16.7642 16.7642 16.8345 16.8345 17.4969 17.4969 k = 0.5000-0.0000 0.3825 ( 7168 PWs) bands (ev): -3.5138 -3.5137 -3.5125 -3.5125 -1.4624 -1.4623 -1.4564 -1.4563 0.4241 0.4241 0.4351 0.4351 2.8891 2.8891 2.8940 2.8940 5.6980 5.6980 5.7099 5.7099 8.9083 8.9083 8.9208 8.9208 9.5139 9.5139 9.5527 9.5528 10.4549 10.4549 10.4824 10.4824 11.3699 11.3699 11.4241 11.4241 12.5163 12.5164 12.5486 12.5486 13.1976 13.1976 13.2530 13.2530 13.8810 13.8810 13.9028 13.9028 14.3022 14.3022 14.3608 14.3608 15.9229 15.9230 16.0283 16.0283 16.7982 16.7982 16.8816 16.8817 17.5469 17.5469 k = 0.5000-0.0000 0.3570 ( 7164 PWs) bands (ev): -3.5536 -3.5535 -3.5524 -3.5524 -1.3619 -1.3619 -1.3554 -1.3554 0.4080 0.4080 0.4199 0.4199 2.8346 2.8346 2.8399 2.8399 5.6684 5.6684 5.6801 5.6801 8.8140 8.8140 8.8299 8.8299 9.5461 9.5462 9.5863 9.5863 10.4967 10.4968 10.5248 10.5248 11.4038 11.4038 11.4577 11.4577 12.4532 12.4532 12.4810 12.4810 13.2296 13.2296 13.2870 13.2871 13.9186 13.9186 13.9406 13.9406 14.3690 14.3691 14.4226 14.4226 15.9154 15.9154 16.0092 16.0092 16.8363 16.8364 16.9338 16.9339 17.6028 17.6028 k = 0.5000-0.0000 0.3315 ( 7170 PWs) bands (ev): -3.5908 -3.5908 -3.5897 -3.5897 -1.2608 -1.2607 -1.2538 -1.2537 0.3918 0.3918 0.4046 0.4046 2.7717 2.7718 2.7775 2.7775 5.6541 5.6541 5.6656 5.6656 8.6929 8.6930 8.7100 8.7101 9.5964 9.5964 9.6366 9.6366 10.5410 10.5410 10.5699 10.5700 11.4458 11.4458 11.4998 11.4998 12.3850 12.3850 12.4099 12.4099 13.2593 13.2593 13.3173 13.3173 13.9508 13.9509 13.9731 13.9731 14.4368 14.4368 14.4852 14.4852 15.9091 15.9091 15.9920 15.9920 16.8785 16.8785 16.9883 16.9883 17.6639 17.6639 k = 0.5000-0.0000 0.3060 ( 7168 PWs) bands (ev): -3.6254 -3.6254 -3.6244 -3.6244 -1.1594 -1.1594 -1.1519 -1.1518 0.3757 0.3757 0.3894 0.3894 2.7015 2.7015 2.7076 2.7076 5.6546 5.6546 5.6658 5.6658 8.5594 8.5594 8.5763 8.5763 9.6511 9.6511 9.6902 9.6902 10.5868 10.5868 10.6167 10.6168 11.4950 11.4951 11.5494 11.5495 12.3146 12.3146 12.3378 12.3378 13.2848 13.2848 13.3423 13.3423 13.9776 13.9776 14.0002 14.0002 14.5040 14.5040 14.5478 14.5478 15.9054 15.9054 15.9784 15.9784 16.9239 16.9239 17.0427 17.0427 17.7296 17.7296 k = 0.5000-0.0000 0.2805 ( 7162 PWs) bands (ev): -3.6574 -3.6574 -3.6565 -3.6565 -1.0584 -1.0584 -1.0503 -1.0502 0.3598 0.3598 0.3744 0.3744 2.6251 2.6252 2.6316 2.6316 5.6688 5.6688 5.6797 5.6797 8.4205 8.4205 8.4366 8.4367 9.7038 9.7039 9.7410 9.7410 10.6334 10.6335 10.6645 10.6645 11.5493 11.5493 11.6044 11.6044 12.2447 12.2448 12.2673 12.2674 13.3051 13.3052 13.3609 13.3609 13.9986 13.9986 14.0216 14.0216 14.5700 14.5700 14.6097 14.6097 15.9053 15.9053 15.9695 15.9695 16.9711 16.9711 17.0950 17.0950 17.7986 17.7986 k = 0.5000-0.0000 0.2550 ( 7160 PWs) bands (ev): -3.6867 -3.6867 -3.6859 -3.6859 -0.9583 -0.9583 -0.9496 -0.9495 0.3440 0.3441 0.3595 0.3595 2.5443 2.5443 2.5510 2.5510 5.6954 5.6954 5.7060 5.7060 8.2802 8.2802 8.2954 8.2954 9.7520 9.7520 9.7866 9.7866 10.6808 10.6809 10.7130 10.7130 11.6047 11.6047 11.6606 11.6607 12.1794 12.1794 12.2021 12.2021 13.3196 13.3196 13.3728 13.3728 14.0138 14.0138 14.0372 14.0372 14.6342 14.6343 14.6706 14.6706 15.9094 15.9094 15.9659 15.9659 17.0189 17.0189 17.1437 17.1437 17.8684 17.8684 k = 0.5000-0.0000 0.2295 ( 7158 PWs) bands (ev): -3.7133 -3.7133 -3.7125 -3.7125 -0.8600 -0.8599 -0.8506 -0.8505 0.3286 0.3286 0.3448 0.3449 2.4607 2.4607 2.4676 2.4676 5.7330 5.7330 5.7432 5.7432 8.1409 8.1409 8.1550 8.1551 9.7947 9.7947 9.8263 9.8263 10.7290 10.7291 10.7621 10.7621 11.6544 11.6544 11.7107 11.7107 12.1251 12.1252 12.1478 12.1478 13.3277 13.3277 13.3775 13.3775 14.0233 14.0234 14.0471 14.0471 14.6963 14.6963 14.7299 14.7299 15.9177 15.9178 15.9676 15.9676 17.0658 17.0658 17.1874 17.1874 17.9352 17.9352 k = 0.5000-0.0000 0.2040 ( 7162 PWs) bands (ev): -3.7371 -3.7371 -3.7364 -3.7364 -0.7642 -0.7641 -0.7541 -0.7541 0.3134 0.3134 0.3303 0.3303 2.3764 2.3764 2.3834 2.3834 5.7798 5.7798 5.7896 5.7896 8.0045 8.0045 8.0176 8.0176 9.8316 9.8316 9.8599 9.8599 10.7784 10.7784 10.8121 10.8122 11.6873 11.6873 11.7416 11.7416 12.0934 12.0934 12.1142 12.1143 13.3293 13.3293 13.3753 13.3753 14.0280 14.0280 14.0517 14.0517 14.7557 14.7558 14.7869 14.7869 15.9299 15.9299 15.9741 15.9741 17.1109 17.1109 17.2257 17.2257 17.9966 17.9966 k = 0.5000-0.0000 0.1785 ( 7158 PWs) bands (ev): -3.7582 -3.7581 -3.7576 -3.7575 -0.6721 -0.6720 -0.6614 -0.6614 0.2985 0.2985 0.3159 0.3159 2.2936 2.2936 2.3005 2.3005 5.8340 5.8340 5.8433 5.8433 7.8726 7.8727 7.8846 7.8847 9.8630 9.8630 9.8879 9.8879 10.8291 10.8291 10.8632 10.8633 11.6912 11.6912 11.7393 11.7393 12.0958 12.0958 12.1126 12.1126 13.3246 13.3246 13.3663 13.3663 14.0286 14.0287 14.0519 14.0519 14.8118 14.8118 14.8406 14.8406 15.9452 15.9452 15.9845 15.9845 17.1530 17.1530 17.2580 17.2580 18.0515 18.0515 k = 0.5000-0.0000 0.1530 ( 7164 PWs) bands (ev): -3.7764 -3.7764 -3.7759 -3.7759 -0.5849 -0.5849 -0.5739 -0.5738 0.2840 0.2840 0.3015 0.3016 2.2145 2.2146 2.2212 2.2212 5.8933 5.8933 5.9021 5.9021 7.7471 7.7472 7.7581 7.7581 9.8892 9.8892 9.9106 9.9106 10.8814 10.8815 10.9156 10.9157 11.6641 11.6642 11.7050 11.7050 12.1288 12.1288 12.1435 12.1435 13.3141 13.3141 13.3513 13.3513 14.0265 14.0266 14.0490 14.0490 14.8637 14.8637 14.8900 14.8900 15.9626 15.9626 15.9973 15.9974 17.1916 17.1916 17.2844 17.2844 18.0987 18.0987 k = 0.5000-0.0000 0.1275 ( 7164 PWs) bands (ev): -3.7919 -3.7919 -3.7915 -3.7915 -0.5044 -0.5043 -0.4932 -0.4932 0.2700 0.2700 0.2872 0.2872 2.1417 2.1417 2.1478 2.1479 5.9553 5.9553 5.9633 5.9634 7.6302 7.6302 7.6400 7.6400 9.9107 9.9107 9.9287 9.9287 10.9355 10.9355 10.9693 10.9694 11.6161 11.6161 11.6521 11.6521 12.1785 12.1785 12.1935 12.1935 13.2990 13.2990 13.3313 13.3313 14.0229 14.0229 14.0442 14.0443 14.9104 14.9104 14.9338 14.9338 15.9808 15.9808 16.0112 16.0112 17.2261 17.2261 17.3049 17.3050 18.1369 18.1369 k = 0.5000-0.0000 0.1020 ( 7168 PWs) bands (ev): -3.8046 -3.8045 -3.8042 -3.8042 -0.4324 -0.4323 -0.4216 -0.4215 0.2570 0.2570 0.2731 0.2731 2.0775 2.0775 2.0829 2.0829 6.0168 6.0168 6.0239 6.0239 7.5247 7.5247 7.5331 7.5331 9.9279 9.9279 9.9425 9.9425 10.9910 10.9910 11.0240 11.0240 11.5578 11.5578 11.5911 11.5911 12.2336 12.2336 12.2484 12.2484 13.2808 13.2809 13.3082 13.3082 14.0187 14.0187 14.0387 14.0387 14.9509 14.9509 14.9708 14.9708 15.9988 15.9988 16.0245 16.0245 17.2561 17.2561 17.3200 17.3200 18.1659 18.1659 k = 0.5000-0.0000 0.0765 ( 7166 PWs) bands (ev): -3.8144 -3.8144 -3.8142 -3.8141 -0.3712 -0.3711 -0.3615 -0.3615 0.2456 0.2456 0.2595 0.2595 2.0244 2.0244 2.0288 2.0289 6.0737 6.0737 6.0796 6.0796 7.4343 7.4344 7.4412 7.4413 9.9412 9.9412 9.9525 9.9525 11.0472 11.0472 11.0785 11.0785 11.4964 11.4965 11.5280 11.5280 12.2859 12.2860 12.2990 12.2991 13.2622 13.2623 13.2843 13.2843 14.0148 14.0148 14.0335 14.0335 14.9842 14.9842 15.0000 15.0000 16.0152 16.0153 16.0359 16.0359 17.2815 17.2815 17.3296 17.3296 18.1869 18.1869 k = 0.5000-0.0000 0.0510 ( 7164 PWs) bands (ev): -3.8215 -3.8214 -3.8213 -3.8212 -0.3235 -0.3235 -0.3161 -0.3160 0.2368 0.2368 0.2473 0.2473 1.9848 1.9848 1.9880 1.9880 6.1211 6.1211 6.1254 6.1255 7.3640 7.3641 7.3690 7.3690 9.9507 9.9507 9.9590 9.9590 11.1023 11.1023 11.1301 11.1301 11.4380 11.4380 11.4673 11.4674 12.3294 12.3294 12.3393 12.3393 13.2462 13.2462 13.2628 13.2628 14.0117 14.0117 14.0292 14.0292 15.0094 15.0095 15.0206 15.0206 16.0289 16.0289 16.0440 16.0440 17.3019 17.3019 17.3341 17.3342 18.2019 18.2019 k = 0.5000-0.0000 0.0255 ( 7168 PWs) bands (ev): -3.8257 -3.8256 -3.8256 -3.8255 -0.2924 -0.2923 -0.2882 -0.2882 0.2321 0.2321 0.2378 0.2378 1.9605 1.9605 1.9622 1.9623 6.1534 6.1534 6.1557 6.1557 7.3192 7.3193 7.3219 7.3219 9.9567 9.9567 9.9625 9.9625 11.1510 11.1510 11.1707 11.1707 11.3915 11.3915 11.4161 11.4161 12.3589 12.3589 12.3645 12.3645 13.2357 13.2357 13.2472 13.2472 14.0097 14.0097 14.0265 14.0265 15.0259 15.0259 15.0321 15.0321 16.0385 16.0385 16.0482 16.0482 17.3174 17.3175 17.3336 17.3336 18.2129 18.2129 k = 0.5000-0.0000-0.0000 ( 7168 PWs) bands (ev): -3.8270 -3.8270 -3.8270 -3.8270 -0.2804 -0.2804 -0.2798 -0.2798 0.2323 0.2323 0.2325 0.2325 1.9525 1.9525 1.9532 1.9532 6.1654 6.1654 6.1658 6.1658 7.3043 7.3043 7.3049 7.3049 9.9588 9.9588 9.9635 9.9635 11.1768 11.1768 11.1840 11.1840 11.3734 11.3734 11.3922 11.3922 12.3702 12.3702 12.3722 12.3722 13.2323 13.2323 13.2412 13.2412 14.0091 14.0091 14.0255 14.0255 15.0323 15.0323 15.0352 15.0352 16.0423 16.0423 16.0492 16.0492 17.3272 17.3272 17.3289 17.3289 18.2192 18.2192 k = 0.0000 0.0000 0.7139 ( 7188 PWs) bands (ev): -3.5074 -3.5074 -2.9811 -2.9811 -1.3174 -1.3174 -1.2517 -1.2517 -1.1454 -1.1454 -0.6089 -0.6089 3.4305 3.4305 4.9553 4.9553 6.7295 6.7295 7.4465 7.4465 7.8957 7.8957 8.0950 8.0950 8.3576 8.3576 9.4618 9.4618 9.8368 9.8368 9.8837 9.8837 10.3732 10.3732 11.6188 11.6188 12.0280 12.0280 12.9118 12.9118 13.4548 13.4548 13.6435 13.6435 13.7904 13.7904 14.1139 14.1139 14.4983 14.4983 15.0283 15.0283 15.4613 15.4613 16.1152 16.1152 16.2166 16.2166 17.4534 17.4534 17.5915 17.5915 k = 0.0250-0.0000 0.7139 ( 7184 PWs) bands (ev): -3.5059 -3.5059 -2.9798 -2.9798 -1.3689 -1.3688 -1.2620 -1.2620 -1.0945 -1.0944 -0.5955 -0.5954 3.4276 3.4276 4.9430 4.9430 6.7297 6.7298 7.4368 7.4374 7.8986 7.8997 8.1042 8.1045 8.3592 8.3612 9.4621 9.4634 9.8278 9.8326 9.8993 9.9030 10.3832 10.3835 11.5973 11.5978 12.0504 12.0506 12.9094 12.9123 13.4451 13.4475 13.6328 13.6399 13.7830 13.7840 14.1111 14.1130 14.5060 14.5079 15.0219 15.0269 15.4623 15.4656 16.1131 16.1140 16.2111 16.2209 17.4446 17.4463 17.5893 17.5939 k = 0.0500-0.0000 0.7139 ( 7188 PWs) bands (ev): -3.5016 -3.5016 -2.9759 -2.9759 -1.4597 -1.4596 -1.2956 -1.2956 -0.9995 -0.9995 -0.5579 -0.5578 3.4188 3.4188 4.9070 4.9070 6.7306 6.7307 7.4105 7.4114 7.9074 7.9091 8.1264 8.1275 8.3701 8.3742 9.4645 9.4670 9.8209 9.8267 9.9381 9.9418 10.4131 10.4136 11.5438 11.5445 12.1076 12.1078 12.9046 12.9106 13.4182 13.4223 13.6102 13.6229 13.7629 13.7639 14.1058 14.1093 14.5286 14.5323 15.0077 15.0171 15.4690 15.4749 16.1079 16.1092 16.2051 16.2240 17.4219 17.4255 17.5858 17.5935 k = 0.0750-0.0000 0.7139 ( 7192 PWs) bands (ev): -3.4944 -3.4943 -2.9695 -2.9694 -1.5566 -1.5564 -1.3459 -1.3458 -0.8946 -0.8946 -0.5023 -0.5022 3.4044 3.4044 4.8490 4.8490 6.7323 6.7324 7.3722 7.3736 7.9187 7.9210 8.1467 8.1489 8.4022 8.4085 9.4698 9.4731 9.8233 9.8293 9.9898 9.9929 10.4613 10.4620 11.4742 11.4748 12.1836 12.1838 12.8971 12.9063 13.3736 13.3783 13.5794 13.5957 13.7323 13.7326 14.0997 14.1047 14.5601 14.5652 14.9851 14.9975 15.4814 15.4890 16.1000 16.1008 16.1994 16.2262 17.3894 17.3950 17.5770 17.5853 k = 0.1000-0.0000 0.7139 ( 7194 PWs) bands (ev): -3.4842 -3.4842 -2.9605 -2.9604 -1.6538 -1.6536 -1.4064 -1.4064 -0.7861 -0.7861 -0.4347 -0.4346 3.3845 3.3846 4.7718 4.7718 6.7349 6.7351 7.3271 7.3287 7.9290 7.9317 8.1516 8.1540 8.4670 8.4745 9.4788 9.4828 9.8365 9.8424 10.0519 10.0544 10.5258 10.5266 11.3979 11.3984 12.2685 12.2693 12.8855 12.8986 13.3122 13.3164 13.5426 13.5608 13.6939 13.6962 14.0936 14.0998 14.5935 14.5999 14.9531 14.9671 15.4990 15.5071 16.0891 16.0898 16.1951 16.2280 17.3509 17.3580 17.5600 17.5663 k = 0.1250-0.0000 0.7139 ( 7186 PWs) bands (ev): -3.4712 -3.4712 -2.9490 -2.9489 -1.7498 -1.7496 -1.4730 -1.4730 -0.6757 -0.6757 -0.3594 -0.3592 3.3596 3.3596 4.6785 4.6786 6.7388 6.7389 7.2789 7.2806 7.9352 7.9384 8.1400 8.1419 8.5628 8.5706 9.4924 9.4966 9.8608 9.8666 10.1230 10.1252 10.6043 10.6051 11.3199 11.3201 12.3574 12.3592 12.8685 12.8861 13.2363 13.2395 13.4995 13.5191 13.6541 13.6585 14.0870 14.0943 14.6229 14.6302 14.9107 14.9249 15.5212 15.5289 16.0752 16.0781 16.1929 16.2303 17.3089 17.3169 17.5346 17.5369 k = 0.1500-0.0000 0.7139 ( 7192 PWs) bands (ev): -3.4553 -3.4553 -2.9349 -2.9348 -1.8440 -1.8438 -1.5429 -1.5429 -0.5646 -0.5645 -0.2793 -0.2791 3.3300 3.3300 4.5724 4.5725 6.7438 6.7440 7.2302 7.2320 7.9352 7.9389 8.1177 8.1189 8.6810 8.6889 9.5107 9.5151 9.8960 9.9018 10.2018 10.2040 10.6947 10.6955 11.2428 11.2432 12.4469 12.4506 12.8439 12.8670 13.1494 13.1513 13.4514 13.4723 13.6167 13.6230 14.0786 14.0871 14.6429 14.6507 14.8573 14.8705 15.5473 15.5539 16.0604 16.0660 16.1934 16.2338 17.2653 17.2730 17.5011 17.5032 k = 0.1750-0.0000 0.7139 ( 7196 PWs) bands (ev): -3.4365 -3.4365 -2.9184 -2.9183 -1.9360 -1.9358 -1.6144 -1.6144 -0.4532 -0.4531 -0.1965 -0.1963 3.2964 3.2964 4.4565 4.4566 6.7500 6.7503 7.1829 7.1847 7.9280 7.9323 8.0898 8.0901 8.8147 8.8227 9.5338 9.5380 9.9421 9.9480 10.2862 10.2891 10.7948 10.7957 11.1692 11.1704 12.5333 12.5410 12.8094 12.8400 13.0547 13.0554 13.4019 13.4238 13.5828 13.5907 14.0673 14.0771 14.6494 14.6565 14.7936 14.8045 15.5765 15.5814 16.0467 16.0548 16.1969 16.2392 17.2212 17.2276 17.4635 17.4694 k = 0.2000-0.0000 0.7139 ( 7194 PWs) bands (ev): -3.4149 -3.4148 -2.8995 -2.8993 -2.0257 -2.0254 -1.6864 -1.6863 -0.3423 -0.3422 -0.1124 -0.1122 3.2594 3.2595 4.3335 4.3337 6.7574 6.7576 7.1382 7.1400 7.9140 7.9187 8.0586 8.0590 8.9588 8.9673 9.5613 9.5651 9.9984 10.0046 10.3734 10.3775 10.9020 10.9028 11.1029 11.1057 12.6077 12.6251 12.7642 12.8073 12.9563 12.9569 13.3567 13.3784 13.5519 13.5617 14.0520 14.0632 14.6383 14.6412 14.7235 14.7286 15.6080 15.6110 16.0353 16.0456 16.2038 16.2471 17.1772 17.1817 17.4275 17.4367 k = 0.2250-0.0000 0.7139 ( 7186 PWs) bands (ev): -3.3903 -3.3903 -2.8783 -2.8781 -2.1127 -2.1124 -1.7580 -1.7579 -0.2325 -0.2324 -0.0282 -0.0280 3.2201 3.2201 4.2060 4.2062 6.7657 6.7659 7.0967 7.0985 7.8943 7.8993 8.0261 8.0269 9.1097 9.1190 9.5931 9.5959 10.0642 10.0707 10.4581 10.4646 10.9994 11.0005 11.0639 11.0688 12.6404 12.6684 12.7286 12.7800 12.8689 12.8711 13.3203 13.3396 13.5233 13.5358 14.0314 14.0443 14.5898 14.5997 14.6527 14.6617 15.6412 15.6422 16.0271 16.0393 16.2146 16.2580 17.1337 17.1357 17.3953 17.4072 k = 0.2500-0.0000 0.7139 ( 7194 PWs) bands (ev): -3.3630 -3.3629 -2.8549 -2.8546 -2.1968 -2.1965 -1.8288 -1.8288 -0.1248 -0.1247 0.0550 0.0552 3.1793 3.1794 4.0762 4.0764 6.7748 6.7750 7.0591 7.0608 7.8707 7.8758 7.9932 7.9943 9.2635 9.2745 9.6292 9.6303 10.1381 10.1450 10.5308 10.5409 10.9953 11.0021 11.1515 11.1541 12.6000 12.6074 12.6990 12.7134 12.8580 12.8756 13.2949 13.3088 13.4973 13.5138 14.0045 14.0194 14.5017 14.5177 14.5949 14.6109 15.6744 15.6753 16.0218 16.0356 16.2296 16.2724 17.0898 17.0907 17.3680 17.3821 k = 0.2750-0.0000 0.7139 ( 7192 PWs) bands (ev): -3.3327 -3.3326 -2.8296 -2.8293 -2.2778 -2.2774 -1.8985 -1.8984 -0.0200 -0.0199 0.1361 0.1363 3.1385 3.1385 3.9460 3.9462 6.7844 6.7847 7.0254 7.0270 7.8451 7.8501 7.9604 7.9615 9.4156 9.4299 9.6692 9.6713 10.2184 10.2260 10.5768 10.5910 10.9952 11.0058 11.2736 11.2763 12.5159 12.5172 12.6092 12.6140 12.9168 12.9330 13.2808 13.2858 13.4750 13.4973 13.9701 13.9876 14.3961 14.4129 14.5387 14.5558 15.7068 15.7098 16.0184 16.0337 16.2491 16.2907 17.0440 17.0477 17.3465 17.3622 k = 0.3000-0.0000 0.7139 ( 7198 PWs) bands (ev): -3.2997 -3.2995 -2.8030 -2.8025 -2.3551 -2.3546 -1.9667 -1.9666 0.0808 0.0809 0.2141 0.2143 3.0990 3.0990 3.8173 3.8175 6.7944 6.7948 6.9957 6.9973 7.8194 7.8242 7.9279 7.9288 9.5567 9.5775 9.7168 9.7254 10.3026 10.3116 10.5871 10.6040 11.0395 11.0518 11.3991 11.4024 12.4102 12.4138 12.5117 12.5137 12.9763 12.9887 13.2708 13.2781 13.4589 13.4886 13.9275 13.9484 14.2814 14.2991 14.4762 14.4938 15.7388 15.7438 16.0158 16.0325 16.2734 16.3131 16.9979 17.0042 17.3313 17.3478 k = 0.3250-0.0000 0.7139 ( 7192 PWs) bands (ev): -3.2638 -3.2637 -2.7760 -2.7754 -2.4276 -2.4270 -2.0332 -2.0330 0.1761 0.1763 0.2877 0.2880 3.0624 3.0625 3.6919 3.6922 6.8045 6.8049 6.9700 6.9715 7.7951 7.7996 7.8962 7.8968 9.6661 9.6920 9.7947 9.8082 10.3866 10.3984 10.5732 10.5922 11.1202 11.1321 11.5232 11.5276 12.2953 12.2989 12.4178 12.4183 13.0179 13.0265 13.2661 13.2873 13.4526 13.4900 13.8767 13.9021 14.1618 14.1812 14.4091 14.4271 15.7698 15.7768 16.0126 16.0307 16.3024 16.3399 16.9509 16.9598 17.3228 17.3393 k = 0.3500-0.0000 0.7139 ( 7180 PWs) bands (ev): -3.2251 -3.2250 -2.7513 -2.7505 -2.4927 -2.4918 -2.0978 -2.0976 0.2646 0.2648 0.3558 0.3561 3.0308 3.0309 3.5716 3.5719 6.8145 6.8150 6.9479 6.9494 7.7735 7.7777 7.8656 7.8660 9.7363 9.7569 9.9132 9.9206 10.4590 10.4753 10.5630 10.5848 11.2190 11.2300 11.6406 11.6468 12.1760 12.1786 12.3314 12.3326 13.0324 13.0395 13.2748 13.3058 13.4596 13.5017 13.8188 13.8500 14.0425 14.0642 14.3403 14.3586 15.7992 15.8084 16.0079 16.0272 16.3357 16.3708 16.9027 16.9139 17.3214 17.3368 k = 0.3750-0.0000 0.7139 ( 7178 PWs) bands (ev): -3.1838 -3.1836 -2.7358 -2.7347 -2.5435 -2.5423 -2.1603 -2.1602 0.3446 0.3448 0.4168 0.4171 3.0060 3.0062 3.4582 3.4585 6.8243 6.8249 6.9292 6.9305 7.7556 7.7594 7.8368 7.8368 9.7902 9.8065 10.0268 10.0284 10.4967 10.5072 10.6075 10.6213 11.3213 11.3315 11.7427 11.7524 12.0578 12.0584 12.2595 12.2629 13.0225 13.0314 13.2928 13.3258 13.4771 13.5181 13.7570 13.7947 13.9323 13.9559 14.2716 14.2901 15.8270 15.8383 16.0013 16.0214 16.3729 16.4054 16.8533 16.8666 17.3268 17.3404 k = 0.4000-0.0000 0.7139 ( 7176 PWs) bands (ev): -3.1397 -3.1395 -2.7436 -2.7423 -2.5657 -2.5644 -2.2207 -2.2205 0.4142 0.4145 0.4691 0.4694 2.9903 2.9905 3.3534 3.3537 6.8338 6.8344 6.9133 6.9146 7.7420 7.7454 7.8100 7.8104 9.8398 9.8537 10.1010 10.1040 10.5276 10.5337 10.6841 10.6904 11.4146 11.4242 11.8112 11.8276 11.9507 11.9552 12.2117 12.2178 13.0018 13.0136 13.3093 13.3396 13.4894 13.5242 13.6985 13.7377 13.8515 13.8703 14.2039 14.2225 15.8529 15.8662 15.9925 16.0133 16.4133 16.4434 16.8028 16.8180 17.3387 17.3495 k = 0.4250-0.0000 0.7139 ( 7168 PWs) bands (ev): -3.0930 -3.0927 -2.7794 -2.7784 -2.5542 -2.5532 -2.2788 -2.2786 0.4719 0.4721 0.5110 0.5113 2.9857 2.9859 3.2591 3.2594 6.8428 6.8435 6.8999 6.9011 7.7333 7.7363 7.7862 7.7869 9.8885 9.9008 10.1239 10.1303 10.5900 10.5953 10.7558 10.7592 11.4853 11.4947 11.7846 11.7977 11.9340 11.9341 12.1918 12.1993 12.9869 13.0008 13.3089 13.3348 13.4797 13.5072 13.6510 13.6782 13.8271 13.8286 14.1371 14.1558 15.8768 15.8920 15.9817 16.0026 16.4565 16.4844 16.7516 16.7685 17.3563 17.3636 k = 0.4500-0.0000 0.7139 ( 7162 PWs) bands (ev): -3.0438 -3.0435 -2.8296 -2.8289 -2.5231 -2.5223 -2.3344 -2.3341 0.5159 0.5162 0.5409 0.5413 2.9941 2.9943 3.1769 3.1773 6.8516 6.8524 6.8883 6.8894 7.7296 7.7323 7.7659 7.7670 9.9370 9.9483 10.1091 10.1172 10.6750 10.6795 10.8097 10.8112 11.5251 11.5345 11.6987 11.7069 11.9813 11.9850 12.1831 12.1892 12.9946 13.0088 13.2689 13.2872 13.4734 13.4922 13.6063 13.6220 13.8403 13.8524 14.0711 14.0899 15.8989 15.9158 15.9688 15.9896 16.5021 16.5278 16.7002 16.7187 17.3784 17.3816 k = 0.4750-0.0000 0.7139 ( 7162 PWs) bands (ev): -2.9923 -2.9919 -2.8841 -2.8835 -2.4826 -2.4821 -2.3872 -2.3868 0.5451 0.5454 0.5573 0.5576 3.0169 3.0172 3.1086 3.1089 6.8602 6.8611 6.8782 6.8792 7.7312 7.7335 7.7497 7.7511 9.9852 9.9956 10.0749 10.0839 10.7570 10.7604 10.8330 10.8332 11.5457 11.5545 11.6233 11.6305 12.0460 12.0488 12.1596 12.1626 13.0350 13.0482 13.1913 13.2045 13.4905 13.5035 13.5617 13.5734 13.8847 13.9018 14.0059 14.0248 15.9191 15.9374 15.9540 15.9744 16.5496 16.5733 16.6490 16.6692 17.4023 17.4040 k = 0.5000-0.0000 0.7139 ( 7168 PWs) bands (ev): -2.9388 -2.9388 -2.9384 -2.9384 -2.4368 -2.4368 -2.4364 -2.4364 0.5589 0.5589 0.5592 0.5592 3.0550 3.0550 3.0553 3.0553 6.8690 6.8690 6.8699 6.8699 7.7380 7.7380 7.7399 7.7399 10.0319 10.0319 10.0417 10.0417 10.8145 10.8145 10.8164 10.8164 11.5726 11.5726 11.5804 11.5804 12.1118 12.1118 12.1121 12.1121 13.1054 13.1054 13.1177 13.1177 13.5219 13.5219 13.5330 13.5330 13.9427 13.9427 13.9613 13.9613 15.9374 15.9374 15.9569 15.9569 16.5987 16.5987 16.6206 16.6206 17.4244 17.4244 Writing output data file BiI3.save init_run : 0.11s CPU 0.37s WALL ( 1 calls) electrons : 413.80s CPU 432.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 413.79s CPU 432.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 273 calls) cegterg : 393.68s CPU 411.18s WALL ( 589 calls) Called by sum_band: Called by *egterg: h_psi : 247.19s CPU 267.22s WALL ( 9446 calls) g_psi : 0.92s CPU 0.75s WALL ( 8584 calls) cdiaghg : 107.01s CPU 103.81s WALL ( 8857 calls) cegterg:over : 23.59s CPU 22.88s WALL ( 8584 calls) cegterg:upda : 11.77s CPU 14.53s WALL ( 8584 calls) cegterg:last : 7.99s CPU 8.61s WALL ( 1510 calls) Called by h_psi: h_psi:vloc : 227.45s CPU 244.18s WALL ( 9446 calls) h_psi:vnl : 19.50s CPU 22.51s WALL ( 9446 calls) add_vuspsi : 8.40s CPU 10.01s WALL ( 9446 calls) General routines calbec : 11.08s CPU 12.48s WALL ( 9446 calls) fft : 0.01s CPU 0.05s WALL ( 13 calls) fftw : 225.55s CPU 236.59s WALL ( 1094036 calls) davcio : 0.05s CPU 0.21s WALL ( 546 calls) Parallel routines fft_scatter : 208.55s CPU 155.58s WALL ( 1094049 calls) PWSCF : 7m23.98s CPU 7m57.66s WALL This run was terminated on: 1:17:37 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=