Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:42: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxSiCux2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 41 12 1171 636 102 Max 62 42 13 1174 654 104 Sum 2217 1487 433 42209 23189 3701 bravais-lattice index = 14 lattice parameter (alat) = 10.8131 a.u. unit-cell volume = 549.9199 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.813135 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.748653 celldm(5)= -0.748653 celldm(6)= 0.497305 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.497305 0.867576 0.000000 ) a(3) = ( -0.748653 -0.433788 0.501346 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.573212 0.997316 ) b(2) = ( 0.000000 1.152637 0.997316 ) b(3) = ( 0.000000 0.000000 1.994632 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Cu 11.00 63.54600 Cu( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0000000 0.0181330), wk = 0.0027933 k( 3) = ( 0.0000000 0.0000000 0.0362660), wk = 0.0027933 k( 4) = ( 0.0000000 0.0000000 0.0543991), wk = 0.0027933 k( 5) = ( 0.0000000 0.0000000 0.0725321), wk = 0.0027933 k( 6) = ( 0.0000000 0.0000000 0.0906651), wk = 0.0027933 k( 7) = ( 0.0000000 0.0000000 0.1087981), wk = 0.0027933 k( 8) = ( 0.0000000 0.0000000 0.1269311), wk = 0.0027933 k( 9) = ( 0.0000000 0.0000000 0.1450641), wk = 0.0027933 k( 10) = ( 0.0000000 0.0000000 0.1631972), wk = 0.0027933 k( 11) = ( 0.0000000 0.0000000 0.1813302), wk = 0.0027933 k( 12) = ( 0.0000000 0.0000000 0.1994632), wk = 0.0027933 k( 13) = ( 0.0000000 0.0000000 0.2175962), wk = 0.0027933 k( 14) = ( 0.0000000 0.0000000 0.2357292), wk = 0.0027933 k( 15) = ( 0.0000000 0.0000000 0.2538622), wk = 0.0027933 k( 16) = ( 0.0000000 0.0000000 0.2719953), wk = 0.0027933 k( 17) = ( 0.0000000 0.0000000 0.2901283), wk = 0.0027933 k( 18) = ( 0.0000000 0.0000000 0.3082613), wk = 0.0027933 k( 19) = ( 0.0000000 0.0000000 0.3263943), wk = 0.0027933 k( 20) = ( 0.0000000 0.0000000 0.3445273), wk = 0.0027933 k( 21) = ( 0.0000000 0.0000000 0.3626603), wk = 0.0027933 k( 22) = ( 0.0000000 0.0000000 0.3807934), wk = 0.0027933 k( 23) = ( 0.0000000 0.0000000 0.3989264), wk = 0.0027933 k( 24) = ( 0.0000000 0.0000000 0.4170594), wk = 0.0027933 k( 25) = ( 0.0000000 0.0000000 0.4351924), wk = 0.0027933 k( 26) = ( 0.0000000 0.0000000 0.4533254), wk = 0.0027933 k( 27) = ( 0.0000000 0.0000000 0.4714585), wk = 0.0027933 k( 28) = ( 0.0000000 0.0000000 0.4895915), wk = 0.0027933 k( 29) = ( 0.0000000 0.0000000 0.5077245), wk = 0.0027933 k( 30) = ( 0.0000000 0.0000000 0.5258575), wk = 0.0027933 k( 31) = ( 0.0000000 0.0000000 0.5439905), wk = 0.0027933 k( 32) = ( 0.0000000 0.0000000 0.5621235), wk = 0.0027933 k( 33) = ( 0.0000000 0.0000000 0.5802566), wk = 0.0027933 k( 34) = ( 0.0000000 0.0000000 0.5983896), wk = 0.0027933 k( 35) = ( 0.0000000 0.0000000 0.6165226), wk = 0.0027933 k( 36) = ( 0.0000000 0.0000000 0.6346556), wk = 0.0027933 k( 37) = ( 0.0000000 0.0000000 0.6527886), wk = 0.0027933 k( 38) = ( 0.0000000 0.0000000 0.6709216), wk = 0.0027933 k( 39) = ( 0.0000000 0.0000000 0.6890547), wk = 0.0027933 k( 40) = ( 0.0000000 0.0000000 0.7071877), wk = 0.0027933 k( 41) = ( 0.0000000 0.0000000 0.7253207), wk = 0.0027933 k( 42) = ( 0.0000000 0.0000000 0.7434537), wk = 0.0027933 k( 43) = ( 0.0000000 0.0000000 0.7615867), wk = 0.0027933 k( 44) = ( 0.0000000 0.0000000 0.7797197), wk = 0.0027933 k( 45) = ( 0.0000000 0.0000000 0.7978528), wk = 0.0027933 k( 46) = ( 0.0000000 0.0000000 0.8159858), wk = 0.0027933 k( 47) = ( 0.0000000 0.0000000 0.8341188), wk = 0.0027933 k( 48) = ( 0.0000000 0.0000000 0.8522518), wk = 0.0027933 k( 49) = ( 0.0000000 0.0000000 0.8703848), wk = 0.0027933 k( 50) = ( 0.0000000 0.0000000 0.8885179), wk = 0.0027933 k( 51) = ( 0.0000000 0.0000000 0.9066509), wk = 0.0027933 k( 52) = ( 0.0000000 0.0000000 0.9247839), wk = 0.0027933 k( 53) = ( 0.0000000 0.0000000 0.9429169), wk = 0.0027933 k( 54) = ( 0.0000000 0.0000000 0.9610499), wk = 0.0027933 k( 55) = ( 0.0000000 0.0000000 0.9791829), wk = 0.0027933 k( 56) = ( 0.0000000 0.0000000 0.9973160), wk = 0.0027933 k( 57) = ( 0.0000000 0.0000000 0.9973160), wk = 0.0027933 k( 58) = ( -0.0083933 0.0144856 0.9973160), wk = 0.0027933 k( 59) = ( -0.0167867 0.0289712 0.9973160), wk = 0.0027933 k( 60) = ( -0.0251800 0.0434569 0.9973160), wk = 0.0027933 k( 61) = ( -0.0335733 0.0579425 0.9973160), wk = 0.0027933 k( 62) = ( -0.0419666 0.0724281 0.9973160), wk = 0.0027933 k( 63) = ( -0.0503600 0.0869137 0.9973160), wk = 0.0027933 k( 64) = ( -0.0587533 0.1013993 0.9973160), wk = 0.0027933 k( 65) = ( -0.0671466 0.1158850 0.9973160), wk = 0.0027933 k( 66) = ( -0.0755399 0.1303706 0.9973160), wk = 0.0027933 k( 67) = ( -0.0839333 0.1448562 0.9973160), wk = 0.0027933 k( 68) = ( -0.0839333 0.1448562 0.9973160), wk = 0.0027933 k( 69) = ( -0.0902373 0.1557360 0.9847417), wk = 0.0027933 k( 70) = ( -0.0965414 0.1666159 0.9721675), wk = 0.0027933 k( 71) = ( -0.1028454 0.1774957 0.9595932), wk = 0.0027933 k( 72) = ( -0.1091494 0.1883755 0.9470190), wk = 0.0027933 k( 73) = ( -0.1154535 0.1992553 0.9344447), wk = 0.0027933 k( 74) = ( -0.1217575 0.2101352 0.9218705), wk = 0.0027933 k( 75) = ( -0.1280616 0.2210150 0.9092963), wk = 0.0027933 k( 76) = ( -0.1343656 0.2318948 0.8967220), wk = 0.0027933 k( 77) = ( -0.1406697 0.2427746 0.8841478), wk = 0.0027933 k( 78) = ( -0.1469737 0.2536545 0.8715735), wk = 0.0027933 k( 79) = ( -0.1532777 0.2645343 0.8589993), wk = 0.0027933 k( 80) = ( -0.1595818 0.2754141 0.8464250), wk = 0.0027933 k( 81) = ( -0.1658858 0.2862939 0.8338508), wk = 0.0027933 k( 82) = ( -0.1721899 0.2971738 0.8212766), wk = 0.0027933 k( 83) = ( -0.1784939 0.3080536 0.8087023), wk = 0.0027933 k( 84) = ( -0.1847979 0.3189334 0.7961281), wk = 0.0027933 k( 85) = ( -0.1911020 0.3298133 0.7835538), wk = 0.0027933 k( 86) = ( -0.1974060 0.3406931 0.7709796), wk = 0.0027933 k( 87) = ( -0.2037101 0.3515729 0.7584054), wk = 0.0027933 k( 88) = ( -0.2100141 0.3624527 0.7458311), wk = 0.0027933 k( 89) = ( -0.2163181 0.3733325 0.7332569), wk = 0.0027933 k( 90) = ( -0.2226222 0.3842124 0.7206826), wk = 0.0027933 k( 91) = ( -0.2289262 0.3950922 0.7081084), wk = 0.0027933 k( 92) = ( -0.2352303 0.4059720 0.6955341), wk = 0.0027933 k( 93) = ( -0.2415343 0.4168519 0.6829599), wk = 0.0027933 k( 94) = ( -0.2478384 0.4277317 0.6703857), wk = 0.0027933 k( 95) = ( -0.2541424 0.4386115 0.6578114), wk = 0.0027933 k( 96) = ( -0.2604464 0.4494913 0.6452372), wk = 0.0027933 k( 97) = ( -0.2667505 0.4603712 0.6326629), wk = 0.0027933 k( 98) = ( -0.2730545 0.4712510 0.6200887), wk = 0.0027933 k( 99) = ( -0.2793586 0.4821308 0.6075145), wk = 0.0027933 k( 100) = ( -0.2856626 0.4930107 0.5949402), wk = 0.0027933 k( 101) = ( -0.2919666 0.5038905 0.5823660), wk = 0.0027933 k( 102) = ( -0.2919666 0.5038905 0.5823660), wk = 0.0027933 k( 103) = ( -0.2856195 0.4929363 0.5697058), wk = 0.0027933 k( 104) = ( -0.2792724 0.4819822 0.5570457), wk = 0.0027933 k( 105) = ( -0.2729253 0.4710281 0.5443856), wk = 0.0027933 k( 106) = ( -0.2665782 0.4600739 0.5317254), wk = 0.0027933 k( 107) = ( -0.2602311 0.4491198 0.5190653), wk = 0.0027933 k( 108) = ( -0.2538840 0.4381656 0.5064052), wk = 0.0027933 k( 109) = ( -0.2475369 0.4272115 0.4937451), wk = 0.0027933 k( 110) = ( -0.2411898 0.4162573 0.4810849), wk = 0.0027933 k( 111) = ( -0.2348427 0.4053032 0.4684248), wk = 0.0027933 k( 112) = ( -0.2284956 0.3943491 0.4557647), wk = 0.0027933 k( 113) = ( -0.2221485 0.3833949 0.4431045), wk = 0.0027933 k( 114) = ( -0.2158014 0.3724408 0.4304444), wk = 0.0027933 k( 115) = ( -0.2094543 0.3614866 0.4177843), wk = 0.0027933 k( 116) = ( -0.2031072 0.3505325 0.4051242), wk = 0.0027933 k( 117) = ( -0.1967601 0.3395784 0.3924640), wk = 0.0027933 k( 118) = ( -0.1904130 0.3286242 0.3798039), wk = 0.0027933 k( 119) = ( -0.1840659 0.3176701 0.3671438), wk = 0.0027933 k( 120) = ( -0.1777188 0.3067159 0.3544836), wk = 0.0027933 k( 121) = ( -0.1713717 0.2957618 0.3418235), wk = 0.0027933 k( 122) = ( -0.1650246 0.2848077 0.3291634), wk = 0.0027933 k( 123) = ( -0.1586775 0.2738535 0.3165032), wk = 0.0027933 k( 124) = ( -0.1523304 0.2628994 0.3038431), wk = 0.0027933 k( 125) = ( -0.1459833 0.2519452 0.2911830), wk = 0.0027933 k( 126) = ( -0.1396362 0.2409911 0.2785229), wk = 0.0027933 k( 127) = ( -0.1332891 0.2300370 0.2658627), wk = 0.0027933 k( 128) = ( -0.1269420 0.2190828 0.2532026), wk = 0.0027933 k( 129) = ( -0.1205949 0.2081287 0.2405425), wk = 0.0027933 k( 130) = ( -0.1142478 0.1971745 0.2278823), wk = 0.0027933 k( 131) = ( -0.1079007 0.1862204 0.2152222), wk = 0.0027933 k( 132) = ( -0.1015536 0.1752662 0.2025621), wk = 0.0027933 k( 133) = ( -0.0952065 0.1643121 0.1899019), wk = 0.0027933 k( 134) = ( -0.0888594 0.1533580 0.1772418), wk = 0.0027933 k( 135) = ( -0.0825123 0.1424038 0.1645817), wk = 0.0027933 k( 136) = ( -0.0761652 0.1314497 0.1519216), wk = 0.0027933 k( 137) = ( -0.0698181 0.1204955 0.1392614), wk = 0.0027933 k( 138) = ( -0.0634710 0.1095414 0.1266013), wk = 0.0027933 k( 139) = ( -0.0571239 0.0985873 0.1139412), wk = 0.0027933 k( 140) = ( -0.0507768 0.0876331 0.1012810), wk = 0.0027933 k( 141) = ( -0.0444297 0.0766790 0.0886209), wk = 0.0027933 k( 142) = ( -0.0380826 0.0657248 0.0759608), wk = 0.0027933 k( 143) = ( -0.0317355 0.0547707 0.0633006), wk = 0.0027933 k( 144) = ( -0.0253884 0.0438166 0.0506405), wk = 0.0027933 k( 145) = ( -0.0190413 0.0328624 0.0379804), wk = 0.0027933 k( 146) = ( -0.0126942 0.0219083 0.0253203), wk = 0.0027933 k( 147) = ( -0.0063471 0.0109541 0.0126601), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 150) = ( 0.0156250 0.0090535 -0.0000000), wk = 0.0027933 k( 151) = ( 0.0312500 0.0181070 -0.0000000), wk = 0.0027933 k( 152) = ( 0.0468750 0.0271605 -0.0000000), wk = 0.0027933 k( 153) = ( 0.0625000 0.0362141 -0.0000000), wk = 0.0027933 k( 154) = ( 0.0781250 0.0452676 -0.0000000), wk = 0.0027933 k( 155) = ( 0.0937500 0.0543211 -0.0000000), wk = 0.0027933 k( 156) = ( 0.1093750 0.0633746 -0.0000000), wk = 0.0027933 k( 157) = ( 0.1250000 0.0724281 -0.0000000), wk = 0.0027933 k( 158) = ( 0.1406250 0.0814816 -0.0000000), wk = 0.0027933 k( 159) = ( 0.1562500 0.0905351 -0.0000000), wk = 0.0027933 k( 160) = ( 0.1718750 0.0995886 -0.0000000), wk = 0.0027933 k( 161) = ( 0.1875000 0.1086422 -0.0000000), wk = 0.0027933 k( 162) = ( 0.2031250 0.1176957 -0.0000000), wk = 0.0027933 k( 163) = ( 0.2187500 0.1267492 -0.0000000), wk = 0.0027933 k( 164) = ( 0.2343750 0.1358027 -0.0000000), wk = 0.0027933 k( 165) = ( 0.2500000 0.1448562 -0.0000000), wk = 0.0027933 k( 166) = ( 0.2656250 0.1539097 -0.0000000), wk = 0.0027933 k( 167) = ( 0.2812500 0.1629632 -0.0000000), wk = 0.0027933 k( 168) = ( 0.2968750 0.1720167 -0.0000000), wk = 0.0027933 k( 169) = ( 0.3125000 0.1810703 -0.0000000), wk = 0.0027933 k( 170) = ( 0.3281250 0.1901238 -0.0000000), wk = 0.0027933 k( 171) = ( 0.3437500 0.1991773 -0.0000000), wk = 0.0027933 k( 172) = ( 0.3593750 0.2082308 -0.0000000), wk = 0.0027933 k( 173) = ( 0.3750000 0.2172843 -0.0000000), wk = 0.0027933 k( 174) = ( 0.3906250 0.2263378 -0.0000000), wk = 0.0027933 k( 175) = ( 0.4062500 0.2353913 -0.0000000), wk = 0.0027933 k( 176) = ( 0.4218750 0.2444448 -0.0000000), wk = 0.0027933 k( 177) = ( 0.4375000 0.2534984 -0.0000000), wk = 0.0027933 k( 178) = ( 0.4531250 0.2625519 -0.0000000), wk = 0.0027933 k( 179) = ( 0.4687500 0.2716054 -0.0000000), wk = 0.0027933 k( 180) = ( 0.4843750 0.2806589 -0.0000000), wk = 0.0027933 k( 181) = ( 0.5000000 0.2897124 -0.0000000), wk = 0.0027933 k( 182) = ( 0.5000000 0.2897124 -0.0000000), wk = 0.0027933 k( 183) = ( 0.4936960 0.3005922 0.0125742), wk = 0.0027933 k( 184) = ( 0.4873919 0.3114721 0.0251485), wk = 0.0027933 k( 185) = ( 0.4810879 0.3223519 0.0377227), wk = 0.0027933 k( 186) = ( 0.4747838 0.3332317 0.0502970), wk = 0.0027933 k( 187) = ( 0.4684798 0.3441115 0.0628712), wk = 0.0027933 k( 188) = ( 0.4621757 0.3549914 0.0754455), wk = 0.0027933 k( 189) = ( 0.4558717 0.3658712 0.0880197), wk = 0.0027933 k( 190) = ( 0.4495677 0.3767510 0.1005939), wk = 0.0027933 k( 191) = ( 0.4432636 0.3876308 0.1131682), wk = 0.0027933 k( 192) = ( 0.4369596 0.3985107 0.1257424), wk = 0.0027933 k( 193) = ( 0.4306555 0.4093905 0.1383167), wk = 0.0027933 k( 194) = ( 0.4243515 0.4202703 0.1508909), wk = 0.0027933 k( 195) = ( 0.4180475 0.4311502 0.1634652), wk = 0.0027933 k( 196) = ( 0.4117434 0.4420300 0.1760394), wk = 0.0027933 k( 197) = ( 0.4054394 0.4529098 0.1886136), wk = 0.0027933 k( 198) = ( 0.3991353 0.4637896 0.2011879), wk = 0.0027933 k( 199) = ( 0.3928313 0.4746694 0.2137621), wk = 0.0027933 k( 200) = ( 0.3865273 0.4855493 0.2263363), wk = 0.0027933 k( 201) = ( 0.3802232 0.4964291 0.2389106), wk = 0.0027933 k( 202) = ( 0.3739192 0.5073089 0.2514848), wk = 0.0027933 k( 203) = ( 0.3676151 0.5181888 0.2640591), wk = 0.0027933 k( 204) = ( 0.3613111 0.5290686 0.2766333), wk = 0.0027933 k( 205) = ( 0.3550070 0.5399484 0.2892076), wk = 0.0027933 k( 206) = ( 0.3487030 0.5508282 0.3017818), wk = 0.0027933 k( 207) = ( 0.3423990 0.5617081 0.3143560), wk = 0.0027933 k( 208) = ( 0.3360949 0.5725879 0.3269303), wk = 0.0027933 k( 209) = ( 0.3297909 0.5834677 0.3395045), wk = 0.0027933 k( 210) = ( 0.3234868 0.5943475 0.3520788), wk = 0.0027933 k( 211) = ( 0.3171828 0.6052274 0.3646530), wk = 0.0027933 k( 212) = ( 0.3108788 0.6161072 0.3772273), wk = 0.0027933 k( 213) = ( 0.3045747 0.6269870 0.3898015), wk = 0.0027933 k( 214) = ( 0.2982707 0.6378668 0.4023757), wk = 0.0027933 k( 215) = ( 0.2919666 0.6487467 0.4149500), wk = 0.0027933 k( 216) = ( 0.2919666 0.6487467 0.4149500), wk = 0.0027933 k( 217) = ( 0.2757463 0.6447229 0.4196004), wk = 0.0027933 k( 218) = ( 0.2595259 0.6406991 0.4242509), wk = 0.0027933 k( 219) = ( 0.2433055 0.6366753 0.4289013), wk = 0.0027933 k( 220) = ( 0.2270852 0.6326515 0.4335518), wk = 0.0027933 k( 221) = ( 0.2108648 0.6286278 0.4382022), wk = 0.0027933 k( 222) = ( 0.1946444 0.6246040 0.4428526), wk = 0.0027933 k( 223) = ( 0.1784241 0.6205802 0.4475031), wk = 0.0027933 k( 224) = ( 0.1622037 0.6165564 0.4521535), wk = 0.0027933 k( 225) = ( 0.1459833 0.6125326 0.4568040), wk = 0.0027933 k( 226) = ( 0.1297629 0.6085088 0.4614544), wk = 0.0027933 k( 227) = ( 0.1135426 0.6044851 0.4661049), wk = 0.0027933 k( 228) = ( 0.0973222 0.6004613 0.4707553), wk = 0.0027933 k( 229) = ( 0.0811018 0.5964375 0.4754058), wk = 0.0027933 k( 230) = ( 0.0648815 0.5924137 0.4800562), wk = 0.0027933 k( 231) = ( 0.0486611 0.5883899 0.4847066), wk = 0.0027933 k( 232) = ( 0.0324407 0.5843661 0.4893571), wk = 0.0027933 k( 233) = ( 0.0162204 0.5803424 0.4940075), wk = 0.0027933 k( 234) = ( 0.0000000 0.5763186 0.4986580), wk = 0.0027933 k( 235) = ( 0.0000000 0.5763186 0.4986580), wk = 0.0027933 k( 236) = ( 0.0064103 0.5652554 0.5114441), wk = 0.0027933 k( 237) = ( 0.0128205 0.5541923 0.5242302), wk = 0.0027933 k( 238) = ( 0.0192308 0.5431292 0.5370163), wk = 0.0027933 k( 239) = ( 0.0256410 0.5320660 0.5498024), wk = 0.0027933 k( 240) = ( 0.0320513 0.5210029 0.5625885), wk = 0.0027933 k( 241) = ( 0.0384615 0.5099397 0.5753746), wk = 0.0027933 k( 242) = ( 0.0448718 0.4988766 0.5881607), wk = 0.0027933 k( 243) = ( 0.0512821 0.4878135 0.6009468), wk = 0.0027933 k( 244) = ( 0.0576923 0.4767503 0.6137329), wk = 0.0027933 k( 245) = ( 0.0641026 0.4656872 0.6265190), wk = 0.0027933 k( 246) = ( 0.0705128 0.4546241 0.6393051), wk = 0.0027933 k( 247) = ( 0.0769231 0.4435609 0.6520912), wk = 0.0027933 k( 248) = ( 0.0833333 0.4324978 0.6648773), wk = 0.0027933 k( 249) = ( 0.0897436 0.4214346 0.6776634), wk = 0.0027933 k( 250) = ( 0.0961538 0.4103715 0.6904495), wk = 0.0027933 k( 251) = ( 0.1025641 0.3993084 0.7032356), wk = 0.0027933 k( 252) = ( 0.1089744 0.3882452 0.7160217), wk = 0.0027933 k( 253) = ( 0.1153846 0.3771821 0.7288078), wk = 0.0027933 k( 254) = ( 0.1217949 0.3661190 0.7415939), wk = 0.0027933 k( 255) = ( 0.1282051 0.3550558 0.7543800), wk = 0.0027933 k( 256) = ( 0.1346154 0.3439927 0.7671661), wk = 0.0027933 k( 257) = ( 0.1410256 0.3329295 0.7799522), wk = 0.0027933 k( 258) = ( 0.1474359 0.3218664 0.7927383), wk = 0.0027933 k( 259) = ( 0.1538461 0.3108033 0.8055244), wk = 0.0027933 k( 260) = ( 0.1602564 0.2997401 0.8183105), wk = 0.0027933 k( 261) = ( 0.1666667 0.2886770 0.8310966), wk = 0.0027933 k( 262) = ( 0.1730769 0.2776139 0.8438827), wk = 0.0027933 k( 263) = ( 0.1794872 0.2665507 0.8566688), wk = 0.0027933 k( 264) = ( 0.1858974 0.2554876 0.8694549), wk = 0.0027933 k( 265) = ( 0.1923077 0.2444244 0.8822410), wk = 0.0027933 k( 266) = ( 0.1987180 0.2333613 0.8950271), wk = 0.0027933 k( 267) = ( 0.2051282 0.2222982 0.9078132), wk = 0.0027933 k( 268) = ( 0.2115385 0.2112350 0.9205993), wk = 0.0027933 k( 269) = ( 0.2179487 0.2001719 0.9333854), wk = 0.0027933 k( 270) = ( 0.2243590 0.1891088 0.9461715), wk = 0.0027933 k( 271) = ( 0.2307692 0.1780456 0.9589576), wk = 0.0027933 k( 272) = ( 0.2371795 0.1669825 0.9717438), wk = 0.0027933 k( 273) = ( 0.2435897 0.1559193 0.9845298), wk = 0.0027933 k( 274) = ( 0.2500000 0.1448562 0.9973160), wk = 0.0027933 k( 275) = ( 0.2500000 0.1448562 0.9973160), wk = 0.0027933 k( 276) = ( 0.2631579 0.1524802 0.9885046), wk = 0.0027933 k( 277) = ( 0.2763158 0.1601042 0.9796932), wk = 0.0027933 k( 278) = ( 0.2894737 0.1677282 0.9708818), wk = 0.0027933 k( 279) = ( 0.3026316 0.1753522 0.9620705), wk = 0.0027933 k( 280) = ( 0.3157895 0.1829763 0.9532591), wk = 0.0027933 k( 281) = ( 0.3289474 0.1906003 0.9444478), wk = 0.0027933 k( 282) = ( 0.3421053 0.1982243 0.9356364), wk = 0.0027933 k( 283) = ( 0.3552632 0.2058483 0.9268250), wk = 0.0027933 k( 284) = ( 0.3684211 0.2134723 0.9180136), wk = 0.0027933 k( 285) = ( 0.3815789 0.2210963 0.9092023), wk = 0.0027933 k( 286) = ( 0.3947368 0.2287203 0.9003909), wk = 0.0027933 k( 287) = ( 0.4078947 0.2363443 0.8915795), wk = 0.0027933 k( 288) = ( 0.4210526 0.2439683 0.8827682), wk = 0.0027933 k( 289) = ( 0.4342105 0.2515924 0.8739568), wk = 0.0027933 k( 290) = ( 0.4473684 0.2592164 0.8651454), wk = 0.0027933 k( 291) = ( 0.4605263 0.2668404 0.8563341), wk = 0.0027933 k( 292) = ( 0.4736842 0.2744644 0.8475227), wk = 0.0027933 k( 293) = ( 0.4868421 0.2820884 0.8387113), wk = 0.0027933 k( 294) = ( 0.5000000 0.2897124 0.8299000), wk = 0.0027933 k( 295) = ( 0.5000000 0.2897124 0.8299000), wk = 0.0027933 k( 296) = ( 0.5000000 0.2897124 0.8118586), wk = 0.0027933 k( 297) = ( 0.5000000 0.2897124 0.7938174), wk = 0.0027933 k( 298) = ( 0.5000000 0.2897124 0.7757761), wk = 0.0027933 k( 299) = ( 0.5000000 0.2897124 0.7577348), wk = 0.0027933 k( 300) = ( 0.5000000 0.2897124 0.7396934), wk = 0.0027933 k( 301) = ( 0.5000000 0.2897124 0.7216521), wk = 0.0027933 k( 302) = ( 0.5000000 0.2897124 0.7036108), wk = 0.0027933 k( 303) = ( 0.5000000 0.2897124 0.6855695), wk = 0.0027933 k( 304) = ( 0.5000000 0.2897124 0.6675282), wk = 0.0027933 k( 305) = ( 0.5000000 0.2897124 0.6494869), wk = 0.0027933 k( 306) = ( 0.5000000 0.2897124 0.6314456), wk = 0.0027933 k( 307) = ( 0.5000000 0.2897124 0.6134043), wk = 0.0027933 k( 308) = ( 0.5000000 0.2897124 0.5953630), wk = 0.0027933 k( 309) = ( 0.5000000 0.2897124 0.5773217), wk = 0.0027933 k( 310) = ( 0.5000000 0.2897124 0.5592804), wk = 0.0027933 k( 311) = ( 0.5000000 0.2897124 0.5412391), wk = 0.0027933 k( 312) = ( 0.5000000 0.2897124 0.5231978), wk = 0.0027933 k( 313) = ( 0.5000000 0.2897124 0.5051565), wk = 0.0027933 k( 314) = ( 0.5000000 0.2897124 0.4871152), wk = 0.0027933 k( 315) = ( 0.5000000 0.2897124 0.4690739), wk = 0.0027933 k( 316) = ( 0.5000000 0.2897124 0.4510326), wk = 0.0027933 k( 317) = ( 0.5000000 0.2897124 0.4329913), wk = 0.0027933 k( 318) = ( 0.5000000 0.2897124 0.4149500), wk = 0.0027933 k( 319) = ( 0.5000000 0.2897124 0.3969087), wk = 0.0027933 k( 320) = ( 0.5000000 0.2897124 0.3788674), wk = 0.0027933 k( 321) = ( 0.5000000 0.2897124 0.3608261), wk = 0.0027933 k( 322) = ( 0.5000000 0.2897124 0.3427848), wk = 0.0027933 k( 323) = ( 0.5000000 0.2897124 0.3247435), wk = 0.0027933 k( 324) = ( 0.5000000 0.2897124 0.3067022), wk = 0.0027933 k( 325) = ( 0.5000000 0.2897124 0.2886609), wk = 0.0027933 k( 326) = ( 0.5000000 0.2897124 0.2706195), wk = 0.0027933 k( 327) = ( 0.5000000 0.2897124 0.2525782), wk = 0.0027933 k( 328) = ( 0.5000000 0.2897124 0.2345369), wk = 0.0027933 k( 329) = ( 0.5000000 0.2897124 0.2164957), wk = 0.0027933 k( 330) = ( 0.5000000 0.2897124 0.1984543), wk = 0.0027933 k( 331) = ( 0.5000000 0.2897124 0.1804130), wk = 0.0027933 k( 332) = ( 0.5000000 0.2897124 0.1623717), wk = 0.0027933 k( 333) = ( 0.5000000 0.2897124 0.1443304), wk = 0.0027933 k( 334) = ( 0.5000000 0.2897124 0.1262891), wk = 0.0027933 k( 335) = ( 0.5000000 0.2897124 0.1082478), wk = 0.0027933 k( 336) = ( 0.5000000 0.2897124 0.0902065), wk = 0.0027933 k( 337) = ( 0.5000000 0.2897124 0.0721652), wk = 0.0027933 k( 338) = ( 0.5000000 0.2897124 0.0541239), wk = 0.0027933 k( 339) = ( 0.5000000 0.2897124 0.0360826), wk = 0.0027933 k( 340) = ( 0.5000000 0.2897124 0.0180413), wk = 0.0027933 k( 341) = ( 0.5000000 0.2897124 -0.0000000), wk = 0.0027933 k( 342) = ( 0.0000000 0.0000000 0.9973160), wk = 0.0027933 k( 343) = ( 0.0156250 0.0090535 0.9973160), wk = 0.0027933 k( 344) = ( 0.0312500 0.0181070 0.9973160), wk = 0.0027933 k( 345) = ( 0.0468750 0.0271605 0.9973160), wk = 0.0027933 k( 346) = ( 0.0625000 0.0362141 0.9973160), wk = 0.0027933 k( 347) = ( 0.0781250 0.0452676 0.9973160), wk = 0.0027933 k( 348) = ( 0.0937500 0.0543211 0.9973160), wk = 0.0027933 k( 349) = ( 0.1093750 0.0633746 0.9973160), wk = 0.0027933 k( 350) = ( 0.1250000 0.0724281 0.9973160), wk = 0.0027933 k( 351) = ( 0.1406250 0.0814816 0.9973160), wk = 0.0027933 k( 352) = ( 0.1562500 0.0905351 0.9973160), wk = 0.0027933 k( 353) = ( 0.1718750 0.0995886 0.9973160), wk = 0.0027933 k( 354) = ( 0.1875000 0.1086422 0.9973160), wk = 0.0027933 k( 355) = ( 0.2031250 0.1176957 0.9973160), wk = 0.0027933 k( 356) = ( 0.2187500 0.1267492 0.9973160), wk = 0.0027933 k( 357) = ( 0.2343750 0.1358027 0.9973160), wk = 0.0027933 k( 358) = ( 0.2500000 0.1448562 0.9973160), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0027933 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0027933 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0027933 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0027933 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027933 k( 7) = ( 0.0000000 0.0000000 0.0545454), wk = 0.0027933 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0027933 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0027933 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0027933 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027933 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027933 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0027933 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0027933 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0027933 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027933 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0027933 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0027933 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0027933 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0027933 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027933 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0027933 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027933 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0027933 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0027933 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027933 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0027933 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0027933 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0027933 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0027933 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027933 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0027933 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0027933 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027933 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0027933 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027933 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0027933 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0027933 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0027933 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0027933 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027933 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0027933 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0027933 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0027933 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027933 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027933 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0027933 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0027933 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0027933 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0027933 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027933 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0027933 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0027933 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0027933 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0027933 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 58) = ( -0.0083933 0.0083933 0.5000000), wk = 0.0027933 k( 59) = ( -0.0167867 0.0167867 0.5000000), wk = 0.0027933 k( 60) = ( -0.0251800 0.0251800 0.5000000), wk = 0.0027933 k( 61) = ( -0.0335733 0.0335733 0.5000000), wk = 0.0027933 k( 62) = ( -0.0419666 0.0419666 0.5000000), wk = 0.0027933 k( 63) = ( -0.0503600 0.0503600 0.5000000), wk = 0.0027933 k( 64) = ( -0.0587533 0.0587533 0.5000000), wk = 0.0027933 k( 65) = ( -0.0671466 0.0671466 0.5000000), wk = 0.0027933 k( 66) = ( -0.0755399 0.0755399 0.5000000), wk = 0.0027933 k( 67) = ( -0.0839333 0.0839333 0.5000000), wk = 0.0027933 k( 68) = ( -0.0839333 0.0839333 0.5000000), wk = 0.0027933 k( 69) = ( -0.0902373 0.0902373 0.4936960), wk = 0.0027933 k( 70) = ( -0.0965414 0.0965414 0.4873919), wk = 0.0027933 k( 71) = ( -0.1028454 0.1028454 0.4810879), wk = 0.0027933 k( 72) = ( -0.1091494 0.1091494 0.4747838), wk = 0.0027933 k( 73) = ( -0.1154535 0.1154535 0.4684798), wk = 0.0027933 k( 74) = ( -0.1217575 0.1217575 0.4621757), wk = 0.0027933 k( 75) = ( -0.1280616 0.1280616 0.4558717), wk = 0.0027933 k( 76) = ( -0.1343656 0.1343656 0.4495677), wk = 0.0027933 k( 77) = ( -0.1406697 0.1406697 0.4432636), wk = 0.0027933 k( 78) = ( -0.1469737 0.1469737 0.4369596), wk = 0.0027933 k( 79) = ( -0.1532777 0.1532777 0.4306555), wk = 0.0027933 k( 80) = ( -0.1595818 0.1595818 0.4243515), wk = 0.0027933 k( 81) = ( -0.1658858 0.1658858 0.4180475), wk = 0.0027933 k( 82) = ( -0.1721899 0.1721898 0.4117434), wk = 0.0027933 k( 83) = ( -0.1784939 0.1784939 0.4054394), wk = 0.0027933 k( 84) = ( -0.1847979 0.1847979 0.3991353), wk = 0.0027933 k( 85) = ( -0.1911020 0.1911020 0.3928313), wk = 0.0027933 k( 86) = ( -0.1974060 0.1974060 0.3865273), wk = 0.0027933 k( 87) = ( -0.2037101 0.2037101 0.3802232), wk = 0.0027933 k( 88) = ( -0.2100141 0.2100141 0.3739192), wk = 0.0027933 k( 89) = ( -0.2163181 0.2163181 0.3676151), wk = 0.0027933 k( 90) = ( -0.2226222 0.2226222 0.3613111), wk = 0.0027933 k( 91) = ( -0.2289262 0.2289262 0.3550070), wk = 0.0027933 k( 92) = ( -0.2352303 0.2352303 0.3487030), wk = 0.0027933 k( 93) = ( -0.2415343 0.2415343 0.3423990), wk = 0.0027933 k( 94) = ( -0.2478384 0.2478384 0.3360949), wk = 0.0027933 k( 95) = ( -0.2541424 0.2541424 0.3297909), wk = 0.0027933 k( 96) = ( -0.2604464 0.2604464 0.3234868), wk = 0.0027933 k( 97) = ( -0.2667505 0.2667505 0.3171828), wk = 0.0027933 k( 98) = ( -0.2730545 0.2730545 0.3108788), wk = 0.0027933 k( 99) = ( -0.2793586 0.2793586 0.3045747), wk = 0.0027933 k( 100) = ( -0.2856626 0.2856626 0.2982707), wk = 0.0027933 k( 101) = ( -0.2919666 0.2919666 0.2919666), wk = 0.0027933 k( 102) = ( -0.2919666 0.2919666 0.2919666), wk = 0.0027933 k( 103) = ( -0.2856195 0.2856195 0.2856195), wk = 0.0027933 k( 104) = ( -0.2792724 0.2792724 0.2792724), wk = 0.0027933 k( 105) = ( -0.2729253 0.2729253 0.2729253), wk = 0.0027933 k( 106) = ( -0.2665782 0.2665782 0.2665782), wk = 0.0027933 k( 107) = ( -0.2602311 0.2602311 0.2602311), wk = 0.0027933 k( 108) = ( -0.2538840 0.2538840 0.2538840), wk = 0.0027933 k( 109) = ( -0.2475369 0.2475369 0.2475369), wk = 0.0027933 k( 110) = ( -0.2411898 0.2411898 0.2411898), wk = 0.0027933 k( 111) = ( -0.2348427 0.2348427 0.2348427), wk = 0.0027933 k( 112) = ( -0.2284956 0.2284956 0.2284956), wk = 0.0027933 k( 113) = ( -0.2221485 0.2221485 0.2221485), wk = 0.0027933 k( 114) = ( -0.2158014 0.2158014 0.2158014), wk = 0.0027933 k( 115) = ( -0.2094543 0.2094543 0.2094543), wk = 0.0027933 k( 116) = ( -0.2031072 0.2031072 0.2031072), wk = 0.0027933 k( 117) = ( -0.1967601 0.1967601 0.1967601), wk = 0.0027933 k( 118) = ( -0.1904130 0.1904130 0.1904130), wk = 0.0027933 k( 119) = ( -0.1840659 0.1840659 0.1840659), wk = 0.0027933 k( 120) = ( -0.1777188 0.1777188 0.1777188), wk = 0.0027933 k( 121) = ( -0.1713717 0.1713717 0.1713717), wk = 0.0027933 k( 122) = ( -0.1650246 0.1650246 0.1650246), wk = 0.0027933 k( 123) = ( -0.1586775 0.1586775 0.1586775), wk = 0.0027933 k( 124) = ( -0.1523304 0.1523304 0.1523304), wk = 0.0027933 k( 125) = ( -0.1459833 0.1459833 0.1459833), wk = 0.0027933 k( 126) = ( -0.1396362 0.1396362 0.1396362), wk = 0.0027933 k( 127) = ( -0.1332891 0.1332891 0.1332891), wk = 0.0027933 k( 128) = ( -0.1269420 0.1269420 0.1269420), wk = 0.0027933 k( 129) = ( -0.1205949 0.1205949 0.1205949), wk = 0.0027933 k( 130) = ( -0.1142478 0.1142478 0.1142478), wk = 0.0027933 k( 131) = ( -0.1079007 0.1079007 0.1079007), wk = 0.0027933 k( 132) = ( -0.1015536 0.1015536 0.1015536), wk = 0.0027933 k( 133) = ( -0.0952065 0.0952065 0.0952065), wk = 0.0027933 k( 134) = ( -0.0888594 0.0888594 0.0888594), wk = 0.0027933 k( 135) = ( -0.0825123 0.0825123 0.0825123), wk = 0.0027933 k( 136) = ( -0.0761652 0.0761652 0.0761652), wk = 0.0027933 k( 137) = ( -0.0698181 0.0698181 0.0698181), wk = 0.0027933 k( 138) = ( -0.0634710 0.0634710 0.0634710), wk = 0.0027933 k( 139) = ( -0.0571239 0.0571239 0.0571239), wk = 0.0027933 k( 140) = ( -0.0507768 0.0507768 0.0507768), wk = 0.0027933 k( 141) = ( -0.0444297 0.0444297 0.0444297), wk = 0.0027933 k( 142) = ( -0.0380826 0.0380826 0.0380826), wk = 0.0027933 k( 143) = ( -0.0317355 0.0317355 0.0317355), wk = 0.0027933 k( 144) = ( -0.0253884 0.0253884 0.0253884), wk = 0.0027933 k( 145) = ( -0.0190413 0.0190413 0.0190413), wk = 0.0027933 k( 146) = ( -0.0126942 0.0126942 0.0126942), wk = 0.0027933 k( 147) = ( -0.0063471 0.0063471 0.0063471), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 150) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0027933 k( 151) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0027933 k( 152) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0027933 k( 153) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0027933 k( 154) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0027933 k( 155) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0027933 k( 156) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0027933 k( 157) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0027933 k( 158) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0027933 k( 159) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0027933 k( 160) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0027933 k( 161) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0027933 k( 162) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0027933 k( 163) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0027933 k( 164) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0027933 k( 165) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027933 k( 166) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0027933 k( 167) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0027933 k( 168) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0027933 k( 169) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0027933 k( 170) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0027933 k( 171) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0027933 k( 172) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0027933 k( 173) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0027933 k( 174) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0027933 k( 175) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0027933 k( 176) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0027933 k( 177) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0027933 k( 178) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0027933 k( 179) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0027933 k( 180) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0027933 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 183) = ( 0.4936960 0.5063040 -0.4936960), wk = 0.0027933 k( 184) = ( 0.4873919 0.5126081 -0.4873919), wk = 0.0027933 k( 185) = ( 0.4810879 0.5189121 -0.4810879), wk = 0.0027933 k( 186) = ( 0.4747838 0.5252162 -0.4747838), wk = 0.0027933 k( 187) = ( 0.4684798 0.5315202 -0.4684798), wk = 0.0027933 k( 188) = ( 0.4621757 0.5378243 -0.4621757), wk = 0.0027933 k( 189) = ( 0.4558717 0.5441283 -0.4558717), wk = 0.0027933 k( 190) = ( 0.4495677 0.5504323 -0.4495677), wk = 0.0027933 k( 191) = ( 0.4432636 0.5567364 -0.4432636), wk = 0.0027933 k( 192) = ( 0.4369596 0.5630404 -0.4369596), wk = 0.0027933 k( 193) = ( 0.4306555 0.5693444 -0.4306555), wk = 0.0027933 k( 194) = ( 0.4243515 0.5756485 -0.4243515), wk = 0.0027933 k( 195) = ( 0.4180475 0.5819525 -0.4180475), wk = 0.0027933 k( 196) = ( 0.4117434 0.5882566 -0.4117434), wk = 0.0027933 k( 197) = ( 0.4054394 0.5945606 -0.4054394), wk = 0.0027933 k( 198) = ( 0.3991353 0.6008647 -0.3991353), wk = 0.0027933 k( 199) = ( 0.3928313 0.6071687 -0.3928313), wk = 0.0027933 k( 200) = ( 0.3865273 0.6134727 -0.3865273), wk = 0.0027933 k( 201) = ( 0.3802232 0.6197768 -0.3802232), wk = 0.0027933 k( 202) = ( 0.3739192 0.6260808 -0.3739192), wk = 0.0027933 k( 203) = ( 0.3676151 0.6323849 -0.3676151), wk = 0.0027933 k( 204) = ( 0.3613111 0.6386889 -0.3613111), wk = 0.0027933 k( 205) = ( 0.3550070 0.6449929 -0.3550070), wk = 0.0027933 k( 206) = ( 0.3487030 0.6512970 -0.3487030), wk = 0.0027933 k( 207) = ( 0.3423990 0.6576010 -0.3423990), wk = 0.0027933 k( 208) = ( 0.3360949 0.6639051 -0.3360949), wk = 0.0027933 k( 209) = ( 0.3297909 0.6702091 -0.3297909), wk = 0.0027933 k( 210) = ( 0.3234868 0.6765132 -0.3234868), wk = 0.0027933 k( 211) = ( 0.3171828 0.6828172 -0.3171828), wk = 0.0027933 k( 212) = ( 0.3108788 0.6891212 -0.3108788), wk = 0.0027933 k( 213) = ( 0.3045747 0.6954253 -0.3045747), wk = 0.0027933 k( 214) = ( 0.2982707 0.7017293 -0.2982707), wk = 0.0027933 k( 215) = ( 0.2919666 0.7080334 -0.2919666), wk = 0.0027933 k( 216) = ( 0.2919666 0.7080334 -0.2919666), wk = 0.0027933 k( 217) = ( 0.2757463 0.6964759 -0.2757463), wk = 0.0027933 k( 218) = ( 0.2595259 0.6849185 -0.2595259), wk = 0.0027933 k( 219) = ( 0.2433055 0.6733611 -0.2433055), wk = 0.0027933 k( 220) = ( 0.2270852 0.6618037 -0.2270852), wk = 0.0027933 k( 221) = ( 0.2108648 0.6502463 -0.2108648), wk = 0.0027933 k( 222) = ( 0.1946444 0.6386889 -0.1946444), wk = 0.0027933 k( 223) = ( 0.1784241 0.6271315 -0.1784241), wk = 0.0027933 k( 224) = ( 0.1622037 0.6155741 -0.1622037), wk = 0.0027933 k( 225) = ( 0.1459833 0.6040167 -0.1459833), wk = 0.0027933 k( 226) = ( 0.1297629 0.5924593 -0.1297629), wk = 0.0027933 k( 227) = ( 0.1135426 0.5809019 -0.1135426), wk = 0.0027933 k( 228) = ( 0.0973222 0.5693444 -0.0973222), wk = 0.0027933 k( 229) = ( 0.0811018 0.5577870 -0.0811018), wk = 0.0027933 k( 230) = ( 0.0648815 0.5462296 -0.0648815), wk = 0.0027933 k( 231) = ( 0.0486611 0.5346722 -0.0486611), wk = 0.0027933 k( 232) = ( 0.0324407 0.5231148 -0.0324407), wk = 0.0027933 k( 233) = ( 0.0162204 0.5115574 -0.0162204), wk = 0.0027933 k( 234) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 235) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 236) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0027933 k( 237) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0027933 k( 238) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0027933 k( 239) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0027933 k( 240) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0027933 k( 241) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0027933 k( 242) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0027933 k( 243) = ( 0.0512821 0.4487179 0.0512820), wk = 0.0027933 k( 244) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0027933 k( 245) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0027933 k( 246) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0027933 k( 247) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0027933 k( 248) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0027933 k( 249) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0027933 k( 250) = ( 0.0961538 0.4038461 0.0961538), wk = 0.0027933 k( 251) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0027933 k( 252) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0027933 k( 253) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0027933 k( 254) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0027933 k( 255) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0027933 k( 256) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0027933 k( 257) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0027933 k( 258) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0027933 k( 259) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0027933 k( 260) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0027933 k( 261) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0027933 k( 262) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0027933 k( 263) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0027933 k( 264) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0027933 k( 265) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0027933 k( 266) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0027933 k( 267) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0027933 k( 268) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0027933 k( 269) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0027933 k( 270) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0027933 k( 271) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0027933 k( 272) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0027933 k( 273) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0027933 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 276) = ( 0.2631579 0.2631579 0.2324246), wk = 0.0027933 k( 277) = ( 0.2763158 0.2763158 0.2148491), wk = 0.0027933 k( 278) = ( 0.2894737 0.2894737 0.1972737), wk = 0.0027933 k( 279) = ( 0.3026316 0.3026316 0.1796983), wk = 0.0027933 k( 280) = ( 0.3157895 0.3157895 0.1621228), wk = 0.0027933 k( 281) = ( 0.3289474 0.3289474 0.1445474), wk = 0.0027933 k( 282) = ( 0.3421053 0.3421053 0.1269719), wk = 0.0027933 k( 283) = ( 0.3552632 0.3552632 0.1093965), wk = 0.0027933 k( 284) = ( 0.3684211 0.3684211 0.0918211), wk = 0.0027933 k( 285) = ( 0.3815789 0.3815789 0.0742456), wk = 0.0027933 k( 286) = ( 0.3947368 0.3947368 0.0566702), wk = 0.0027933 k( 287) = ( 0.4078947 0.4078947 0.0390948), wk = 0.0027933 k( 288) = ( 0.4210526 0.4210526 0.0215193), wk = 0.0027933 k( 289) = ( 0.4342105 0.4342105 0.0039439), wk = 0.0027933 k( 290) = ( 0.4473684 0.4473684 -0.0136315), wk = 0.0027933 k( 291) = ( 0.4605263 0.4605263 -0.0312070), wk = 0.0027933 k( 292) = ( 0.4736842 0.4736842 -0.0487824), wk = 0.0027933 k( 293) = ( 0.4868421 0.4868421 -0.0663578), wk = 0.0027933 k( 294) = ( 0.5000000 0.5000000 -0.0839333), wk = 0.0027933 k( 295) = ( 0.5000000 0.5000000 -0.0839333), wk = 0.0027933 k( 296) = ( 0.5000000 0.5000000 -0.0929782), wk = 0.0027933 k( 297) = ( 0.5000000 0.5000000 -0.1020231), wk = 0.0027933 k( 298) = ( 0.5000000 0.5000000 -0.1110681), wk = 0.0027933 k( 299) = ( 0.5000000 0.5000000 -0.1201130), wk = 0.0027933 k( 300) = ( 0.5000000 0.5000000 -0.1291579), wk = 0.0027933 k( 301) = ( 0.5000000 0.5000000 -0.1382028), wk = 0.0027933 k( 302) = ( 0.5000000 0.5000000 -0.1472478), wk = 0.0027933 k( 303) = ( 0.5000000 0.5000000 -0.1562927), wk = 0.0027933 k( 304) = ( 0.5000000 0.5000000 -0.1653376), wk = 0.0027933 k( 305) = ( 0.5000000 0.5000000 -0.1743826), wk = 0.0027933 k( 306) = ( 0.5000000 0.5000000 -0.1834275), wk = 0.0027933 k( 307) = ( 0.5000000 0.5000000 -0.1924724), wk = 0.0027933 k( 308) = ( 0.5000000 0.5000000 -0.2015174), wk = 0.0027933 k( 309) = ( 0.5000000 0.5000000 -0.2105623), wk = 0.0027933 k( 310) = ( 0.5000000 0.5000000 -0.2196072), wk = 0.0027933 k( 311) = ( 0.5000000 0.5000000 -0.2286521), wk = 0.0027933 k( 312) = ( 0.5000000 0.5000000 -0.2376971), wk = 0.0027933 k( 313) = ( 0.5000000 0.5000000 -0.2467420), wk = 0.0027933 k( 314) = ( 0.5000000 0.5000000 -0.2557869), wk = 0.0027933 k( 315) = ( 0.5000000 0.5000000 -0.2648318), wk = 0.0027933 k( 316) = ( 0.5000000 0.5000000 -0.2738768), wk = 0.0027933 k( 317) = ( 0.5000000 0.5000000 -0.2829217), wk = 0.0027933 k( 318) = ( 0.5000000 0.5000000 -0.2919666), wk = 0.0027933 k( 319) = ( 0.5000000 0.5000000 -0.3010116), wk = 0.0027933 k( 320) = ( 0.5000000 0.5000000 -0.3100565), wk = 0.0027933 k( 321) = ( 0.5000000 0.5000000 -0.3191014), wk = 0.0027933 k( 322) = ( 0.5000000 0.5000000 -0.3281463), wk = 0.0027933 k( 323) = ( 0.5000000 0.5000000 -0.3371913), wk = 0.0027933 k( 324) = ( 0.5000000 0.5000000 -0.3462362), wk = 0.0027933 k( 325) = ( 0.5000000 0.5000000 -0.3552811), wk = 0.0027933 k( 326) = ( 0.5000000 0.5000000 -0.3643261), wk = 0.0027933 k( 327) = ( 0.5000000 0.5000000 -0.3733710), wk = 0.0027933 k( 328) = ( 0.5000000 0.5000000 -0.3824159), wk = 0.0027933 k( 329) = ( 0.5000000 0.5000000 -0.3914609), wk = 0.0027933 k( 330) = ( 0.5000000 0.5000000 -0.4005058), wk = 0.0027933 k( 331) = ( 0.5000000 0.5000000 -0.4095507), wk = 0.0027933 k( 332) = ( 0.5000000 0.5000000 -0.4185956), wk = 0.0027933 k( 333) = ( 0.5000000 0.5000000 -0.4276406), wk = 0.0027933 k( 334) = ( 0.5000000 0.5000000 -0.4366855), wk = 0.0027933 k( 335) = ( 0.5000000 0.5000000 -0.4457304), wk = 0.0027933 k( 336) = ( 0.5000000 0.5000000 -0.4547754), wk = 0.0027933 k( 337) = ( 0.5000000 0.5000000 -0.4638203), wk = 0.0027933 k( 338) = ( 0.5000000 0.5000000 -0.4728652), wk = 0.0027933 k( 339) = ( 0.5000000 0.5000000 -0.4819101), wk = 0.0027933 k( 340) = ( 0.5000000 0.5000000 -0.4909551), wk = 0.0027933 k( 341) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 343) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0027933 k( 344) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0027933 k( 345) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0027933 k( 346) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0027933 k( 347) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0027933 k( 348) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0027933 k( 349) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0027933 k( 350) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027933 k( 351) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0027933 k( 352) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0027933 k( 353) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0027933 k( 354) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0027933 k( 355) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0027933 k( 356) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0027933 k( 357) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0027933 k( 358) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 Dense grid: 42209 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23189 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 172, 48) NL pseudopotentials 0.22 Mb ( 86, 170) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1174) G-vector shells 0.00 Mb ( 547) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 172, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CaxSiCux2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.8 secs Computing kpt #: 3 total cpu time spent up to now is 8.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 9.2 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.1 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.2 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.0 secs Computing kpt #: 13 total cpu time spent up to now is 13.6 secs Computing kpt #: 14 total cpu time spent up to now is 14.4 secs Computing kpt #: 15 total cpu time spent up to now is 15.2 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.0 secs Computing kpt #: 19 total cpu time spent up to now is 18.6 secs Computing kpt #: 20 total cpu time spent up to now is 19.2 secs Computing kpt #: 21 total cpu time spent up to now is 19.9 secs Computing kpt #: 22 total cpu time spent up to now is 20.5 secs Computing kpt #: 23 total cpu time spent up to now is 21.1 secs Computing kpt #: 24 total cpu time spent up to now is 21.7 secs Computing kpt #: 25 total cpu time spent up to now is 22.4 secs Computing kpt #: 26 total cpu time spent up to now is 23.0 secs Computing kpt #: 27 total cpu time spent up to now is 23.7 secs Computing kpt #: 28 total cpu time spent up to now is 24.5 secs Computing kpt #: 29 total cpu time spent up to now is 25.3 secs Computing kpt #: 30 total cpu time spent up to now is 26.1 secs Computing kpt #: 31 total cpu time spent up to now is 26.8 secs Computing kpt #: 32 total cpu time spent up to now is 27.4 secs Computing kpt #: 33 total cpu time spent up to now is 28.1 secs Computing kpt #: 34 total cpu time spent up to now is 28.8 secs Computing kpt #: 35 total cpu time spent up to now is 29.8 secs Computing kpt #: 36 total cpu time spent up to now is 30.5 secs Computing kpt #: 37 total cpu time spent up to now is 31.1 secs Computing kpt #: 38 total cpu time spent up to now is 31.8 secs Computing kpt #: 39 total cpu time spent up to now is 32.4 secs Computing kpt #: 40 total cpu time spent up to now is 33.1 secs Computing kpt #: 41 total cpu time spent up to now is 33.6 secs Computing kpt #: 42 total cpu time spent up to now is 34.1 secs Computing kpt #: 43 total cpu time spent up to now is 34.6 secs Computing kpt #: 44 total cpu time spent up to now is 35.1 secs Computing kpt #: 45 total cpu time spent up to now is 35.5 secs Computing kpt #: 46 total cpu time spent up to now is 36.0 secs Computing kpt #: 47 total cpu time spent up to now is 36.5 secs Computing kpt #: 48 total cpu time spent up to now is 37.0 secs Computing kpt #: 49 total cpu time spent up to now is 37.5 secs Computing kpt #: 50 total cpu time spent up to now is 38.0 secs Computing kpt #: 51 total cpu time spent up to now is 38.6 secs Computing kpt #: 52 total cpu time spent up to now is 39.2 secs Computing kpt #: 53 total cpu time spent up to now is 39.6 secs Computing kpt #: 54 total cpu time spent up to now is 40.1 secs Computing kpt #: 55 total cpu time spent up to now is 40.6 secs Computing kpt #: 56 total cpu time spent up to now is 41.0 secs Computing kpt #: 57 total cpu time spent up to now is 41.5 secs Computing kpt #: 58 total cpu time spent up to now is 42.0 secs Computing kpt #: 59 total cpu time spent up to now is 42.5 secs Computing kpt #: 60 total cpu time spent up to now is 42.9 secs Computing kpt #: 61 total cpu time spent up to now is 43.4 secs Computing kpt #: 62 total cpu time spent up to now is 44.0 secs Computing kpt #: 63 total cpu time spent up to now is 44.6 secs Computing kpt #: 64 total cpu time spent up to now is 45.2 secs Computing kpt #: 65 total cpu time spent up to now is 45.9 secs Computing kpt #: 66 total cpu time spent up to now is 46.4 secs Computing kpt #: 67 total cpu time spent up to now is 47.0 secs Computing kpt #: 68 total cpu time spent up to now is 47.6 secs Computing kpt #: 69 total cpu time spent up to now is 48.3 secs Computing kpt #: 70 total cpu time spent up to now is 48.9 secs Computing kpt #: 71 total cpu time spent up to now is 49.5 secs Computing kpt #: 72 total cpu time spent up to now is 50.1 secs Computing kpt #: 73 total cpu time spent up to now is 50.7 secs Computing kpt #: 74 total cpu time spent up to now is 51.3 secs Computing kpt #: 75 total cpu time spent up to now is 52.0 secs Computing kpt #: 76 total cpu time spent up to now is 52.6 secs Computing kpt #: 77 total cpu time spent up to now is 53.2 secs Computing kpt #: 78 total cpu time spent up to now is 53.8 secs Computing kpt #: 79 total cpu time spent up to now is 54.5 secs Computing kpt #: 80 total cpu time spent up to now is 55.1 secs Computing kpt #: 81 total cpu time spent up to now is 55.7 secs Computing kpt #: 82 total cpu time spent up to now is 56.3 secs Computing kpt #: 83 total cpu time spent up to now is 56.9 secs Computing kpt #: 84 total cpu time spent up to now is 57.5 secs Computing kpt #: 85 total cpu time spent up to now is 58.1 secs Computing kpt #: 86 total cpu time spent up to now is 58.6 secs Computing kpt #: 87 total cpu time spent up to now is 59.2 secs Computing kpt #: 88 total cpu time spent up to now is 59.8 secs Computing kpt #: 89 total cpu time spent up to now is 60.2 secs Computing kpt #: 90 total cpu time spent up to now is 60.8 secs Computing kpt #: 91 total cpu time spent up to now is 61.4 secs Computing kpt #: 92 total cpu time spent up to now is 62.0 secs Computing kpt #: 93 total cpu time spent up to now is 62.5 secs Computing kpt #: 94 total cpu time spent up to now is 63.2 secs Computing kpt #: 95 total cpu time spent up to now is 64.0 secs Computing kpt #: 96 total cpu time spent up to now is 65.0 secs Computing kpt #: 97 total cpu time spent up to now is 65.6 secs Computing kpt #: 98 total cpu time spent up to now is 66.3 secs Computing kpt #: 99 total cpu time spent up to now is 66.9 secs Computing kpt #: 100 total cpu time spent up to now is 67.5 secs Computing kpt #: 101 total cpu time spent up to now is 68.1 secs Computing kpt #: 102 total cpu time spent up to now is 68.7 secs Computing kpt #: 103 total cpu time spent up to now is 69.3 secs Computing kpt #: 104 total cpu time spent up to now is 70.0 secs Computing kpt #: 105 total cpu time spent up to now is 70.6 secs Computing kpt #: 106 total cpu time spent up to now is 71.2 secs Computing kpt #: 107 total cpu time spent up to now is 71.8 secs Computing kpt #: 108 total cpu time spent up to now is 72.3 secs Computing kpt #: 109 total cpu time spent up to now is 72.9 secs Computing kpt #: 110 total cpu time spent up to now is 73.5 secs Computing kpt #: 111 total cpu time spent up to now is 74.1 secs Computing kpt #: 112 total cpu time spent up to now is 74.7 secs Computing kpt #: 113 total cpu time spent up to now is 75.2 secs Computing kpt #: 114 total cpu time spent up to now is 75.8 secs Computing kpt #: 115 total cpu time spent up to now is 76.4 secs Computing kpt #: 116 total cpu time spent up to now is 77.0 secs Computing kpt #: 117 total cpu time spent up to now is 77.5 secs Computing kpt #: 118 total cpu time spent up to now is 78.1 secs Computing kpt #: 119 total cpu time spent up to now is 78.7 secs Computing kpt #: 120 total cpu time spent up to now is 79.3 secs Computing kpt #: 121 total cpu time spent up to now is 79.9 secs Computing kpt #: 122 total cpu time spent up to now is 80.6 secs Computing kpt #: 123 total cpu time spent up to now is 81.2 secs Computing kpt 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secs Computing kpt #: 155 total cpu time spent up to now is 100.1 secs Computing kpt #: 156 total cpu time spent up to now is 100.5 secs Computing kpt #: 157 total cpu time spent up to now is 101.0 secs Computing kpt #: 158 total cpu time spent up to now is 101.4 secs Computing kpt #: 159 total cpu time spent up to now is 102.1 secs Computing kpt #: 160 total cpu time spent up to now is 102.5 secs Computing kpt #: 161 total cpu time spent up to now is 103.2 secs Computing kpt #: 162 total cpu time spent up to now is 103.8 secs Computing kpt #: 163 total cpu time spent up to now is 104.4 secs Computing kpt #: 164 total cpu time spent up to now is 105.1 secs Computing kpt #: 165 total cpu time spent up to now is 105.7 secs Computing kpt #: 166 total cpu time spent up to now is 106.4 secs Computing kpt #: 167 total cpu time spent up to now is 107.2 secs Computing kpt #: 168 total cpu time spent up to now is 108.3 secs Computing kpt #: 169 total cpu time spent up to now is 109.2 secs Computing kpt #: 170 total cpu time spent up to now is 110.3 secs Computing kpt #: 171 total cpu time spent up to now is 111.1 secs Computing kpt #: 172 total cpu time spent up to now is 112.0 secs Computing kpt #: 173 total cpu time spent up to now is 112.9 secs Computing kpt #: 174 total cpu time spent up to now is 113.7 secs Computing kpt #: 175 total cpu time spent up to now is 114.5 secs Computing kpt #: 176 total cpu time spent up to now is 115.1 secs Computing kpt #: 177 total cpu time spent up to now is 115.7 secs Computing kpt #: 178 total cpu time spent up to now is 116.2 secs Computing kpt #: 179 total cpu time spent up to now is 116.8 secs Computing kpt #: 180 total cpu time spent up to now is 117.4 secs Computing kpt #: 181 total cpu time spent up to now is 117.8 secs Computing kpt #: 182 total cpu time spent up to now is 118.4 secs Computing kpt #: 183 total cpu time spent up to now is 118.9 secs Computing kpt #: 184 total cpu time spent up to now is 119.5 secs Computing kpt #: 185 total cpu time spent up to now is 120.1 secs Computing kpt #: 186 total cpu time spent up to now is 120.7 secs Computing kpt #: 187 total cpu time spent up to now is 121.3 secs Computing kpt #: 188 total cpu time spent up to now is 121.9 secs Computing kpt #: 189 total cpu time spent up to now is 123.0 secs Computing kpt #: 190 total cpu time spent up to now is 123.9 secs Computing kpt #: 191 total cpu time spent up to now is 124.8 secs Computing kpt #: 192 total cpu time spent up to now is 125.9 secs Computing kpt #: 193 total cpu time spent up to now is 126.9 secs Computing kpt #: 194 total cpu time spent up to now is 127.7 secs Computing kpt #: 195 total cpu time spent up to now is 128.5 secs Computing kpt #: 196 total cpu time spent up to now is 129.3 secs Computing kpt #: 197 total cpu time spent up to now is 130.1 secs Computing kpt #: 198 total cpu time spent up to now is 130.9 secs Computing kpt #: 199 total cpu time spent up to now is 131.7 secs Computing kpt #: 200 total cpu time spent up to now is 132.4 secs Computing kpt #: 201 total cpu time spent up to now is 133.1 secs Computing kpt #: 202 total cpu time spent up to now is 133.8 secs Computing kpt #: 203 total cpu time spent up to now is 134.6 secs Computing kpt #: 204 total cpu time spent up to now is 135.4 secs Computing kpt #: 205 total cpu time spent up to now is 136.1 secs Computing kpt #: 206 total cpu time spent up to now is 136.9 secs Computing kpt #: 207 total cpu time spent up to now is 137.7 secs Computing kpt #: 208 total cpu time spent up to now is 138.5 secs Computing kpt #: 209 total cpu time spent up to now is 139.3 secs Computing kpt #: 210 total cpu time spent up to now is 140.6 secs Computing kpt #: 211 total cpu time spent up to now is 141.4 secs Computing kpt #: 212 total cpu time spent up to now is 142.0 secs Computing kpt #: 213 total cpu time spent up to now is 142.7 secs Computing kpt #: 214 total cpu time spent up to now is 143.3 secs Computing kpt #: 215 total cpu time spent up to now is 143.9 secs Computing kpt #: 216 total cpu time spent up to now is 144.5 secs Computing kpt #: 217 total cpu time spent up to now is 145.1 secs Computing kpt #: 218 total cpu time spent up to now is 145.7 secs Computing kpt #: 219 total cpu time spent up to now is 146.3 secs Computing kpt #: 220 total cpu time spent up to now is 146.9 secs Computing kpt #: 221 total cpu time spent up to now is 147.6 secs Computing kpt #: 222 total cpu time spent up to now is 148.3 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.7 secs Computing kpt #: 224 total cpu time spent up to now is 150.7 secs Computing kpt #: 225 total cpu time spent up to now is 151.7 secs Computing kpt #: 226 total cpu time spent up to now is 152.7 secs Computing kpt #: 227 total cpu time spent up to now is 153.6 secs Computing kpt #: 228 total cpu time spent up to now is 154.5 secs Computing kpt #: 229 total cpu time spent up to now is 155.3 secs Computing kpt #: 230 total cpu time spent up to now is 156.1 secs Computing kpt #: 231 total cpu time spent up to now is 156.9 secs Computing kpt #: 232 total cpu time spent up to now is 157.8 secs Computing kpt #: 233 total cpu time spent up to now is 158.6 secs Computing kpt #: 234 total cpu time spent up to now is 159.2 secs Computing kpt #: 235 total cpu time spent up to now is 159.9 secs Computing kpt #: 236 total cpu time spent up to now is 160.6 secs Computing kpt #: 237 total cpu time spent up to now is 161.4 secs Computing kpt #: 238 total cpu time spent up to now is 162.1 secs Computing kpt #: 239 total cpu time spent up to now is 162.9 secs Computing kpt #: 240 total cpu time spent up to now is 163.7 secs Computing kpt #: 241 total cpu time spent up to now is 164.6 secs Computing kpt #: 242 total cpu time spent up to now is 165.4 secs Computing kpt #: 243 total cpu time spent up to now is 166.0 secs Computing kpt #: 244 total cpu time spent up to now is 166.7 secs Computing kpt #: 245 total cpu time spent up to now is 167.3 secs Computing kpt #: 246 total cpu time spent up to now is 167.9 secs Computing kpt #: 247 total cpu time spent up to now is 168.5 secs Computing kpt #: 248 total cpu time spent up to now is 169.1 secs Computing kpt #: 249 total cpu time spent up to now is 169.8 secs Computing kpt #: 250 total cpu time spent up to now is 170.7 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.2 secs Computing kpt #: 252 total cpu time spent up to now is 172.8 secs Computing kpt #: 253 total cpu time spent up to now is 173.5 secs Computing kpt #: 254 total cpu time spent up to now is 174.1 secs Computing kpt #: 255 total cpu time spent up to now is 174.7 secs Computing kpt #: 256 total cpu time spent up to now is 175.2 secs Computing kpt #: 257 total cpu time spent up to now is 175.7 secs Computing kpt #: 258 total cpu time spent up to now is 176.3 secs Computing kpt #: 259 total cpu time spent up to now is 176.9 secs Computing kpt #: 260 total cpu time spent up to now is 177.3 secs Computing kpt #: 261 total cpu time spent up to now is 178.0 secs Computing kpt #: 262 total cpu time spent up to now is 178.6 secs Computing kpt #: 263 total cpu time spent up to now is 179.2 secs Computing kpt #: 264 total cpu time spent up to now is 179.8 secs Computing kpt #: 265 total cpu time spent up to now is 180.4 secs Computing kpt #: 266 total cpu time spent up to now is 181.0 secs Computing kpt #: 267 total cpu time spent up to now is 181.7 secs Computing kpt #: 268 total cpu time spent up to now is 182.2 secs Computing kpt #: 269 total cpu time spent up to now is 182.7 secs Computing kpt #: 270 total cpu time spent up to now is 183.3 secs Computing kpt #: 271 total cpu time spent up to now is 183.7 secs Computing kpt #: 272 total cpu time spent up to now is 184.2 secs Computing kpt #: 273 total cpu time spent up to now is 184.7 secs Computing kpt #: 274 total cpu time spent up to now is 185.4 secs Computing kpt #: 275 total cpu time spent up to now is 185.9 secs Computing kpt #: 276 total cpu time spent up to now is 186.6 secs Computing kpt #: 277 total cpu time spent up to now is 187.1 secs Computing kpt #: 278 total cpu time spent up to now is 187.8 secs Computing kpt #: 279 total cpu time spent up to now is 188.5 secs Computing kpt #: 280 total cpu time spent up to now is 189.2 secs Computing kpt #: 281 total cpu time spent up to now is 189.9 secs Computing kpt #: 282 total cpu time spent up to now is 190.7 secs Computing kpt #: 283 total cpu time spent up to now is 191.4 secs Computing kpt #: 284 total cpu time spent up to now is 192.1 secs Computing kpt #: 285 total cpu time spent up to now is 192.7 secs Computing kpt #: 286 total cpu time spent up to now is 193.1 secs Computing kpt #: 287 total cpu time spent up to now is 193.7 secs Computing kpt #: 288 total cpu time spent up to now is 194.3 secs Computing kpt #: 289 total cpu time spent up to now is 194.9 secs Computing kpt #: 290 total cpu time spent up to now is 195.5 secs Computing kpt #: 291 total cpu time spent up to now is 196.1 secs Computing kpt #: 292 total cpu time spent up to now is 196.7 secs Computing kpt #: 293 total cpu time spent up to now is 197.3 secs Computing kpt #: 294 total cpu time spent up to now is 198.0 secs Computing kpt #: 295 total cpu time spent up to now is 198.6 secs Computing kpt #: 296 total cpu time spent up to now is 199.2 secs Computing kpt #: 297 total cpu time spent up to now is 199.8 secs Computing kpt #: 298 total cpu time spent up to now is 200.5 secs Computing kpt #: 299 total cpu time spent up to now is 201.1 secs Computing kpt #: 300 total cpu time spent up to now is 201.7 secs Computing kpt #: 301 total cpu time spent up to now is 202.3 secs Computing kpt #: 302 total cpu time spent up to now is 202.9 secs Computing kpt #: 303 total cpu time spent up to now is 203.6 secs Computing kpt #: 304 total cpu time spent up to now is 204.1 secs Computing kpt #: 305 total cpu time spent up to now is 204.7 secs Computing kpt #: 306 total cpu time spent up to now is 205.3 secs Computing kpt #: 307 total cpu time spent up to now is 205.9 secs Computing kpt #: 308 total cpu time spent up to now is 206.4 secs Computing kpt #: 309 total cpu time spent up to now is 206.8 secs Computing kpt #: 310 total cpu time spent up to now is 207.3 secs Computing kpt #: 311 total cpu time spent up to now is 207.9 secs Computing kpt #: 312 total cpu time spent up to now is 208.3 secs Computing kpt #: 313 total cpu time spent up to now is 208.9 secs Computing kpt #: 314 total cpu time spent up to now is 209.4 secs Computing kpt #: 315 total cpu time spent up to now is 209.9 secs Computing kpt #: 316 total cpu time spent up to now is 210.5 secs Computing kpt #: 317 total cpu time spent up to now is 210.9 secs Computing kpt #: 318 total cpu time spent up to now is 211.4 secs Computing kpt #: 319 total cpu time spent up to now is 211.9 secs Computing kpt #: 320 total cpu time spent up to now is 212.3 secs Computing kpt #: 321 total cpu time spent up to now is 212.8 secs Computing kpt #: 322 total cpu time spent up to now is 213.4 secs Computing kpt #: 323 total cpu time spent up to now is 213.9 secs Computing kpt #: 324 total cpu time spent up to now is 214.5 secs Computing kpt #: 325 total cpu time spent up to now is 215.1 secs Computing kpt #: 326 total cpu time spent up to now is 215.8 secs Computing kpt #: 327 total cpu time spent up to now is 216.6 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.1 secs Computing kpt #: 329 total cpu time spent up to now is 219.1 secs Computing kpt #: 330 total cpu time spent up to now is 220.1 secs Computing kpt #: 331 total cpu time spent up to now is 221.0 secs Computing kpt #: 332 total cpu time spent up to now is 221.8 secs Computing kpt #: 333 total cpu time spent up to now is 222.6 secs Computing kpt #: 334 total cpu time spent up to now is 223.5 secs Computing kpt #: 335 total cpu time spent up to now is 224.3 secs Computing kpt #: 336 total cpu time spent up to now is 224.9 secs Computing kpt #: 337 total cpu time spent up to now is 225.5 secs Computing kpt #: 338 total cpu time spent up to now is 226.0 secs Computing kpt #: 339 total cpu time spent up to now is 226.6 secs Computing kpt #: 340 total cpu time spent up to now is 227.1 secs Computing kpt #: 341 total cpu time spent up to now is 227.7 secs Computing kpt #: 342 total cpu time spent up to now is 228.2 secs Computing kpt #: 343 total cpu time spent up to now is 228.7 secs Computing kpt #: 344 total cpu time spent up to now is 229.1 secs Computing kpt #: 345 total cpu time spent up to now is 229.6 secs Computing kpt #: 346 total cpu time spent up to now is 230.1 secs Computing kpt #: 347 total cpu time spent up to now is 230.5 secs Computing kpt #: 348 total cpu time spent up to now is 231.0 secs Computing kpt #: 349 total cpu time spent up to now is 231.4 secs Computing kpt #: 350 total cpu time spent up to now is 232.0 secs Computing kpt #: 351 total cpu time spent up to now is 232.6 secs Computing kpt #: 352 total cpu time spent up to now is 233.2 secs Computing kpt #: 353 total cpu time spent up to now is 233.8 secs Computing kpt #: 354 total cpu time spent up to now is 234.6 secs Computing kpt #: 355 total cpu time spent up to now is 235.4 secs Computing kpt #: 356 total cpu time spent up to now is 236.1 secs Computing kpt #: 357 total cpu time spent up to now is 236.7 secs Computing kpt #: 358 total cpu time spent up to now is 237.4 secs ethr = 2.50E-08, avg # of iterations = 32.6 total cpu time spent up to now is 237.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -30.4881 -30.4881 -11.7912 -11.7912 -11.4258 -11.4258 -11.4064 -11.4064 -0.9250 -0.9250 3.2601 3.2601 4.1663 4.1663 5.6709 5.6709 5.7544 5.7544 5.8684 5.8684 6.5109 6.5109 6.5199 6.5199 6.6466 6.6466 6.7454 6.7454 7.0071 7.0071 7.0137 7.0137 7.3780 7.3780 8.6865 8.6865 8.7183 8.7183 10.4507 10.4507 10.5627 10.5627 10.5646 10.5646 12.4544 12.4544 13.4228 13.4228 k = 0.0000 0.0000 0.0181 ( 2873 PWs) bands (ev): -30.4881 -30.4881 -11.7913 -11.7913 -11.4258 -11.4258 -11.4065 -11.4065 -0.9237 -0.9237 3.2599 3.2599 4.1673 4.1673 5.6705 5.6705 5.7540 5.7540 5.8691 5.8691 6.4952 6.4952 6.5332 6.5332 6.6495 6.6495 6.7451 6.7451 7.0067 7.0067 7.0135 7.0135 7.3760 7.3760 8.6842 8.6842 8.7159 8.7159 10.3886 10.3886 10.5564 10.5564 10.6285 10.6285 12.4626 12.4626 13.4228 13.4228 k = 0.0000 0.0000 0.0363 ( 2889 PWs) bands (ev): -30.4881 -30.4881 -11.7914 -11.7914 -11.4259 -11.4259 -11.4068 -11.4068 -0.9198 -0.9198 3.2594 3.2594 4.1702 4.1702 5.6691 5.6691 5.7526 5.7526 5.8709 5.8709 6.4746 6.4746 6.5466 6.5466 6.6580 6.6580 6.7443 6.7443 7.0054 7.0054 7.0129 7.0129 7.3701 7.3701 8.6772 8.6772 8.7091 8.7091 10.2928 10.2928 10.5368 10.5368 10.7305 10.7305 12.4871 12.4871 13.4230 13.4231 k = 0.0000 0.0000 0.0544 ( 2887 PWs) bands (ev): -30.4881 -30.4881 -11.7916 -11.7916 -11.4259 -11.4259 -11.4070 -11.4070 -0.9133 -0.9133 3.2586 3.2586 4.1751 4.1751 5.6667 5.6667 5.7507 5.7507 5.8743 5.8743 6.4533 6.4533 6.5561 6.5561 6.6722 6.6722 6.7431 6.7431 7.0036 7.0036 7.0121 7.0121 7.3602 7.3602 8.6645 8.6645 8.6992 8.6992 10.1948 10.1948 10.5051 10.5051 10.8390 10.8390 12.5274 12.5274 13.4235 13.4235 k = 0.0000 0.0000 0.0725 ( 2903 PWs) bands (ev): -30.4881 -30.4881 -11.7918 -11.7918 -11.4261 -11.4261 -11.4075 -11.4075 -0.9042 -0.9042 3.2574 3.2574 4.1819 4.1819 5.6628 5.6628 5.7487 5.7487 5.8785 5.8785 6.4320 6.4320 6.5615 6.5615 6.6907 6.6907 6.7415 6.7415 7.0010 7.0010 7.0109 7.0109 7.3462 7.3462 8.6455 8.6455 8.6877 8.6877 10.0977 10.0977 10.4626 10.4626 10.9506 10.9506 12.5830 12.5830 13.4243 13.4243 k = 0.0000 0.0000 0.0907 ( 2909 PWs) bands (ev): -30.4880 -30.4880 -11.7921 -11.7921 -11.4262 -11.4262 -11.4081 -11.4081 -0.8925 -0.8925 3.2559 3.2559 4.1906 4.1906 5.6573 5.6573 5.7473 5.7473 5.8837 5.8837 6.4109 6.4109 6.5639 6.5639 6.7116 6.7116 6.7405 6.7405 6.9977 6.9977 7.0095 7.0095 7.3284 7.3284 8.6208 8.6208 8.6750 8.6750 10.0021 10.0021 10.4106 10.4106 11.0648 11.0648 12.6529 12.6529 13.4257 13.4257 k = 0.0000 0.0000 0.1088 ( 2917 PWs) bands (ev): -30.4880 -30.4880 -11.7925 -11.7925 -11.4264 -11.4264 -11.4088 -11.4088 -0.8783 -0.8783 3.2542 3.2542 4.2012 4.2012 5.6498 5.6498 5.7466 5.7466 5.8896 5.8896 6.3905 6.3905 6.5639 6.5639 6.7267 6.7267 6.7470 6.7470 6.9937 6.9937 7.0077 7.0077 7.3068 7.3068 8.5917 8.5917 8.6607 8.6607 9.9085 9.9085 10.3509 10.3509 11.1812 11.1812 12.7362 12.7362 13.4278 13.4278 k = 0.0000 0.0000 0.1269 ( 2925 PWs) bands (ev): -30.4879 -30.4879 -11.7929 -11.7929 -11.4266 -11.4266 -11.4096 -11.4096 -0.8616 -0.8616 3.2521 3.2521 4.2134 4.2134 5.6402 5.6402 5.7472 5.7472 5.8961 5.8961 6.3708 6.3708 6.5619 6.5619 6.7275 6.7275 6.7686 6.7686 6.9890 6.9890 7.0058 7.0058 7.2816 7.2816 8.5595 8.5595 8.6447 8.6447 9.8167 9.8167 10.2851 10.2851 11.2996 11.2996 12.8318 12.8318 13.4308 13.4308 k = 0.0000 0.0000 0.1451 ( 2925 PWs) bands (ev): -30.4878 -30.4878 -11.7934 -11.7934 -11.4268 -11.4268 -11.4105 -11.4105 -0.8423 -0.8423 3.2499 3.2499 4.2273 4.2273 5.6288 5.6288 5.7491 5.7491 5.9031 5.9031 6.3519 6.3519 6.5581 6.5581 6.7243 6.7243 6.7943 6.7943 6.9835 6.9835 7.0038 7.0038 7.2530 7.2530 8.5254 8.5254 8.6270 8.6270 9.7269 9.7269 10.2147 10.2147 11.4200 11.4200 12.9388 12.9388 13.4349 13.4349 k = 0.0000 0.0000 0.1632 ( 2929 PWs) bands (ev): -30.4877 -30.4877 -11.7939 -11.7939 -11.4271 -11.4271 -11.4115 -11.4115 -0.8207 -0.8207 3.2474 3.2474 4.2428 4.2428 5.6155 5.6155 5.7523 5.7523 5.9104 5.9104 6.3338 6.3338 6.5524 6.5524 6.7201 6.7201 6.8201 6.8201 6.9774 6.9774 7.0021 7.0021 7.2215 7.2215 8.4905 8.4905 8.6075 8.6075 9.6391 9.6391 10.1413 10.1413 11.5423 11.5423 13.0560 13.0560 13.4404 13.4404 k = 0.0000 0.0000 0.1813 ( 2923 PWs) bands (ev): -30.4876 -30.4876 -11.7945 -11.7945 -11.4273 -11.4273 -11.4125 -11.4125 -0.7966 -0.7966 3.2447 3.2447 4.2597 4.2597 5.6007 5.6007 5.7566 5.7566 5.9182 5.9182 6.3168 6.3168 6.5445 6.5445 6.7155 6.7155 6.8447 6.8447 6.9705 6.9705 7.0013 7.0013 7.1879 7.1879 8.4556 8.4556 8.5863 8.5863 9.5533 9.5533 10.0660 10.0660 11.6664 11.6664 13.1825 13.1825 13.4476 13.4476 k = 0.0000 0.0000 0.1995 ( 2923 PWs) bands (ev): -30.4875 -30.4875 -11.7951 -11.7951 -11.4276 -11.4276 -11.4137 -11.4137 -0.7703 -0.7703 3.2419 3.2419 4.2778 4.2778 5.5846 5.5846 5.7619 5.7619 5.9264 5.9264 6.3007 6.3007 6.5340 6.5340 6.7104 6.7104 6.8663 6.8663 6.9625 6.9625 7.0024 7.0024 7.1531 7.1531 8.4215 8.4215 8.5636 8.5636 9.4694 9.4694 9.9899 9.9899 11.7921 11.7921 13.3172 13.3172 13.4566 13.4566 k = 0.0000 0.0000 0.2176 ( 2911 PWs) bands (ev): -30.4874 -30.4874 -11.7957 -11.7957 -11.4278 -11.4278 -11.4149 -11.4149 -0.7416 -0.7416 3.2390 3.2390 4.2970 4.2970 5.5675 5.5675 5.7682 5.7682 5.9348 5.9348 6.2856 6.2856 6.5204 6.5204 6.7052 6.7052 6.8825 6.8825 6.9534 6.9534 7.0073 7.0073 7.1189 7.1189 8.3886 8.3886 8.5395 8.5395 9.3876 9.3876 9.9141 9.9141 11.9195 11.9195 13.4590 13.4590 13.4678 13.4678 k = 0.0000 0.0000 0.2357 ( 2911 PWs) bands (ev): -30.4872 -30.4872 -11.7964 -11.7964 -11.4281 -11.4281 -11.4163 -11.4163 -0.7107 -0.7107 3.2359 3.2359 4.3171 4.3171 5.5496 5.5496 5.7753 5.7753 5.9435 5.9435 6.2714 6.2714 6.5029 6.5029 6.6999 6.6999 6.8909 6.8909 6.9428 6.9428 7.0166 7.0166 7.0876 7.0876 8.3573 8.3573 8.5141 8.5141 9.3076 9.3076 9.8392 9.8392 12.0483 12.0483 13.4806 13.4806 13.6079 13.6079 k = 0.0000 0.0000 0.2539 ( 2911 PWs) bands (ev): -30.4871 -30.4871 -11.7972 -11.7972 -11.4284 -11.4284 -11.4177 -11.4177 -0.6776 -0.6776 3.2327 3.2327 4.3379 4.3379 5.5312 5.5312 5.7833 5.7833 5.9525 5.9525 6.2582 6.2582 6.4809 6.4809 6.6946 6.6946 6.8901 6.8901 6.9311 6.9311 7.0254 7.0254 7.0662 7.0662 8.3278 8.3278 8.4878 8.4878 9.2294 9.2294 9.7660 9.7660 12.1785 12.1785 13.4960 13.4960 13.7618 13.7619 k = 0.0000 0.0000 0.2720 ( 2911 PWs) bands (ev): -30.4869 -30.4869 -11.7980 -11.7980 -11.4288 -11.4288 -11.4192 -11.4192 -0.6425 -0.6425 3.2295 3.2295 4.3590 4.3590 5.5126 5.5126 5.7918 5.7918 5.9617 5.9617 6.2460 6.2460 6.4537 6.4537 6.6893 6.6893 6.8800 6.8800 6.9196 6.9196 7.0171 7.0171 7.0711 7.0711 8.3003 8.3003 8.4606 8.4606 9.1532 9.1532 9.6949 9.6949 12.3098 12.3098 13.5138 13.5138 13.8727 13.8727 k = 0.0000 0.0000 0.2901 ( 2903 PWs) bands (ev): -30.4868 -30.4868 -11.7988 -11.7988 -11.4292 -11.4292 -11.4206 -11.4206 -0.6055 -0.6055 3.2263 3.2263 4.3802 4.3802 5.4943 5.4943 5.8011 5.8011 5.9711 5.9711 6.2348 6.2348 6.4207 6.4207 6.6842 6.6842 6.8627 6.8627 6.9092 6.9092 7.0001 7.0001 7.0919 7.0919 8.2748 8.2748 8.4330 8.4330 9.0788 9.0788 9.6265 9.6265 12.4422 12.4422 13.5342 13.5342 13.8882 13.8882 k = 0.0000 0.0000 0.3083 ( 2896 PWs) bands (ev): -30.4866 -30.4866 -11.7997 -11.7997 -11.4296 -11.4296 -11.4221 -11.4221 -0.5665 -0.5665 3.2230 3.2230 4.4012 4.4012 5.4765 5.4765 5.8110 5.8110 5.9806 5.9806 6.2246 6.2246 6.3819 6.3819 6.6791 6.6791 6.8416 6.8416 6.8994 6.8994 6.9842 6.9842 7.1164 7.1164 8.2512 8.2512 8.4052 8.4052 9.0061 9.0061 9.5610 9.5610 12.5755 12.5755 13.5570 13.5570 13.9035 13.9035 k = 0.0000 0.0000 0.3264 ( 2896 PWs) bands (ev): -30.4864 -30.4864 -11.8006 -11.8006 -11.4300 -11.4300 -11.4237 -11.4237 -0.5257 -0.5257 3.2198 3.2198 4.4214 4.4214 5.4598 5.4598 5.8214 5.8214 5.9902 5.9902 6.2152 6.2152 6.3373 6.3373 6.6739 6.6739 6.8197 6.8197 6.8895 6.8895 6.9699 6.9699 7.1418 7.1418 8.2295 8.2295 8.3775 8.3775 8.9352 8.9352 9.4987 9.4987 12.7094 12.7094 13.5824 13.5824 13.9183 13.9183 k = 0.0000 0.0000 0.3445 ( 2896 PWs) bands (ev): -30.4862 -30.4862 -11.8015 -11.8015 -11.4306 -11.4306 -11.4252 -11.4252 -0.4832 -0.4832 3.2167 3.2167 4.4406 4.4406 5.4445 5.4445 5.8323 5.8323 5.9997 5.9997 6.2063 6.2063 6.2881 6.2881 6.6684 6.6684 6.7989 6.7989 6.8794 6.8794 6.9568 6.9568 7.1668 7.1668 8.2095 8.2095 8.3504 8.3504 8.8661 8.8661 9.4397 9.4397 12.8437 12.8437 13.6102 13.6102 13.9324 13.9324 k = 0.0000 0.0000 0.3627 ( 2892 PWs) bands (ev): -30.4860 -30.4860 -11.8025 -11.8025 -11.4312 -11.4312 -11.4267 -11.4267 -0.4391 -0.4391 3.2137 3.2137 4.4582 4.4582 5.4312 5.4312 5.8438 5.8438 6.0087 6.0087 6.1965 6.1965 6.2369 6.2369 6.6627 6.6627 6.7800 6.7800 6.8689 6.8689 6.9445 6.9445 7.1908 7.1908 8.1911 8.1911 8.3242 8.3242 8.7985 8.7985 9.3841 9.3841 12.9781 12.9781 13.6404 13.6404 13.9453 13.9453 k = 0.0000 0.0000 0.3808 ( 2892 PWs) bands (ev): -30.4859 -30.4859 -11.8034 -11.8034 -11.4320 -11.4320 -11.4280 -11.4280 -0.3936 -0.3936 3.2108 3.2108 4.4738 4.4738 5.4206 5.4206 5.8555 5.8555 6.0164 6.0164 6.1686 6.1686 6.2026 6.2026 6.6564 6.6564 6.7631 6.7631 6.8582 6.8582 6.9326 6.9326 7.2131 7.2131 8.1742 8.1742 8.2994 8.2994 8.7326 8.7326 9.3318 9.3318 13.1124 13.1124 13.6727 13.6727 13.9566 13.9566 k = 0.0000 0.0000 0.3989 ( 2896 PWs) bands (ev): -30.4857 -30.4857 -11.8045 -11.8045 -11.4332 -11.4332 -11.4290 -11.4290 -0.3467 -0.3467 3.2080 3.2080 4.4870 4.4870 5.4129 5.4129 5.8674 5.8674 6.0196 6.0196 6.1184 6.1184 6.1935 6.1935 6.6494 6.6494 6.7482 6.7482 6.8473 6.8473 6.9210 6.9210 7.2332 7.2332 8.1587 8.1587 8.2765 8.2765 8.6683 8.6683 9.2827 9.2827 13.2461 13.2461 13.7067 13.7067 13.9653 13.9653 k = 0.0000 0.0000 0.4171 ( 2896 PWs) bands (ev): -30.4855 -30.4855 -11.8055 -11.8055 -11.4345 -11.4345 -11.4298 -11.4298 -0.2987 -0.2987 3.2054 3.2054 4.4973 4.4973 5.4087 5.4087 5.8791 5.8791 6.0051 6.0051 6.0813 6.0813 6.1888 6.1888 6.6418 6.6418 6.7352 6.7352 6.8361 6.8361 6.9098 6.9098 7.2506 7.2506 8.1445 8.1445 8.2561 8.2561 8.6055 8.6055 9.2367 9.2367 13.3788 13.3788 13.7421 13.7421 13.9694 13.9694 k = 0.0000 0.0000 0.4352 ( 2890 PWs) bands (ev): -30.4853 -30.4853 -11.8065 -11.8065 -11.4361 -11.4361 -11.4304 -11.4304 -0.2495 -0.2495 3.2030 3.2030 4.5046 4.5046 5.4086 5.4086 5.8885 5.8885 5.9619 5.9619 6.0736 6.0736 6.1858 6.1858 6.6334 6.6334 6.7235 6.7235 6.8249 6.8249 6.8990 6.8990 7.2647 7.2647 8.1314 8.1314 8.2386 8.2386 8.5443 8.5443 9.1936 9.1936 13.5102 13.5102 13.7783 13.7783 13.9631 13.9631 k = 0.0000 0.0000 0.4533 ( 2894 PWs) bands (ev): -30.4851 -30.4851 -11.8076 -11.8076 -11.4378 -11.4378 -11.4309 -11.4309 -0.1995 -0.1995 3.2008 3.2008 4.5084 4.5084 5.4125 5.4125 5.8774 5.8774 5.9256 5.9256 6.0786 6.0786 6.1842 6.1842 6.6243 6.6243 6.7129 6.7129 6.8135 6.8135 6.8888 6.8888 7.2750 7.2750 8.1193 8.1193 8.2247 8.2247 8.4844 8.4844 9.1530 9.1530 13.6396 13.6396 13.8140 13.8140 13.9239 13.9239 k = 0.0000 0.0000 0.4715 ( 2888 PWs) bands (ev): -30.4849 -30.4849 -11.8086 -11.8086 -11.4395 -11.4395 -11.4313 -11.4313 -0.1487 -0.1487 3.1988 3.1988 4.5090 4.5090 5.4206 5.4206 5.8236 5.8236 5.9287 5.9287 6.0869 6.0869 6.1840 6.1840 6.6148 6.6148 6.7030 6.7030 6.8022 6.8022 6.8792 6.8792 7.2812 7.2812 8.1081 8.1081 8.2148 8.2148 8.4260 8.4260 9.1145 9.1145 13.7665 13.7665 13.8158 13.8158 13.8480 13.8480 k = 0.0000 0.0000 0.4896 ( 2888 PWs) bands (ev): -30.4847 -30.4847 -11.8096 -11.8096 -11.4412 -11.4412 -11.4317 -11.4317 -0.0974 -0.0974 3.1971 3.1971 4.5064 4.5064 5.4329 5.4329 5.7604 5.7604 5.9404 5.9404 6.0962 6.0962 6.1852 6.1852 6.6048 6.6048 6.6933 6.6933 6.7909 6.7909 6.8704 6.8704 7.2830 7.2830 8.0977 8.0977 8.2094 8.2094 8.3690 8.3690 9.0777 9.0777 13.6703 13.6703 13.8782 13.8782 13.8907 13.8907 k = 0.0000 0.0000 0.5077 ( 2892 PWs) bands (ev): -30.4845 -30.4845 -11.8107 -11.8107 -11.4430 -11.4430 -11.4321 -11.4321 -0.0456 -0.0456 3.1956 3.1956 4.5009 4.5009 5.4491 5.4491 5.6960 5.6960 5.9536 5.9536 6.1056 6.1056 6.1878 6.1878 6.5945 6.5945 6.6835 6.6835 6.7799 6.7799 6.8624 6.8624 7.2801 7.2801 8.0879 8.0879 8.2086 8.2086 8.3134 8.3134 9.0421 9.0421 13.5201 13.5201 13.9016 13.9016 14.0090 14.0090 k = 0.0000 0.0000 0.5259 ( 2888 PWs) bands (ev): -30.4843 -30.4843 -11.8117 -11.8117 -11.4447 -11.4447 -11.4324 -11.4324 0.0064 0.0064 3.1943 3.1943 4.4929 4.4929 5.4685 5.4685 5.6324 5.6324 5.9673 5.9673 6.1150 6.1150 6.1919 6.1919 6.5839 6.5839 6.6734 6.6734 6.7693 6.7693 6.8554 6.8554 7.2727 7.2727 8.0787 8.0787 8.2124 8.2124 8.2593 8.2593 9.0071 9.0071 13.3738 13.3738 13.9145 13.9145 14.0177 14.0177 k = 0.0000 0.0000 0.5440 ( 2888 PWs) bands (ev): -30.4841 -30.4841 -11.8127 -11.8127 -11.4464 -11.4464 -11.4327 -11.4327 0.0584 0.0584 3.1933 3.1933 4.4830 4.4830 5.4889 5.4889 5.5719 5.5719 5.9811 5.9811 6.1241 6.1241 6.1975 6.1975 6.5733 6.5733 6.6626 6.6626 6.7593 6.7593 6.8493 6.8493 7.2608 7.2608 8.0700 8.0700 8.2040 8.2040 8.2234 8.2234 8.9723 8.9723 13.2342 13.2342 13.9125 13.9125 14.0087 14.0087 k = 0.0000 0.0000 0.5621 ( 2892 PWs) bands (ev): -30.4839 -30.4839 -11.8137 -11.8137 -11.4482 -11.4482 -11.4330 -11.4330 0.1103 0.1103 3.1925 3.1925 4.4716 4.4716 5.4885 5.4885 5.5362 5.5362 5.9948 5.9948 6.1329 6.1329 6.2048 6.2048 6.5625 6.5625 6.6510 6.6510 6.7501 6.7501 6.8441 6.8441 7.2447 7.2447 8.0618 8.0618 8.1533 8.1533 8.2353 8.2353 8.9370 8.9370 13.1029 13.1029 13.8921 13.8921 13.9980 13.9980 k = 0.0000 0.0000 0.5803 ( 2904 PWs) bands (ev): -30.4837 -30.4837 -11.8148 -11.8148 -11.4499 -11.4499 -11.4333 -11.4333 0.1618 0.1618 3.1919 3.1919 4.4593 4.4593 5.4376 5.4376 5.5550 5.5550 6.0083 6.0083 6.1413 6.1413 6.2135 6.2135 6.5518 6.5518 6.6387 6.6387 6.7418 6.7418 6.8397 6.8397 7.2250 7.2250 8.0541 8.0541 8.1028 8.1028 8.2523 8.2523 8.9006 8.9006 12.9809 12.9809 13.8518 13.8518 13.9858 13.9858 k = 0.0000 0.0000 0.5984 ( 2898 PWs) bands (ev): -30.4835 -30.4835 -11.8157 -11.8157 -11.4515 -11.4515 -11.4336 -11.4336 0.2128 0.2128 3.1916 3.1916 4.4466 4.4466 5.3800 5.3800 5.5841 5.5841 6.0218 6.0218 6.1497 6.1497 6.2236 6.2236 6.5412 6.5412 6.6256 6.6256 6.7347 6.7347 6.8360 6.8360 7.2022 7.2022 8.0462 8.0462 8.0540 8.0540 8.2729 8.2729 8.8627 8.8627 12.8692 12.8692 13.7936 13.7936 13.9722 13.9722 k = 0.0000 0.0000 0.6165 ( 2898 PWs) bands (ev): -30.4833 -30.4833 -11.8167 -11.8167 -11.4531 -11.4531 -11.4338 -11.4338 0.2630 0.2630 3.1915 3.1915 4.4339 4.4339 5.3232 5.3232 5.6158 5.6158 6.0350 6.0350 6.1579 6.1579 6.2348 6.2348 6.5307 6.5307 6.6120 6.6120 6.7287 6.7287 6.8331 6.8331 7.1766 7.1766 8.0047 8.0047 8.0404 8.0404 8.2965 8.2965 8.8225 8.8225 12.7684 12.7684 13.7213 13.7213 13.9574 13.9574 k = 0.0000 0.0000 0.6347 ( 2898 PWs) bands (ev): -30.4831 -30.4831 -11.8176 -11.8176 -11.4547 -11.4547 -11.4341 -11.4341 0.3122 0.3122 3.1917 3.1917 4.4217 4.4217 5.2680 5.2680 5.6490 5.6490 6.0479 6.0479 6.1661 6.1661 6.2470 6.2470 6.5205 6.5205 6.5980 6.5980 6.7239 6.7239 6.8306 6.8306 7.1489 7.1489 7.9575 7.9575 8.0339 8.0339 8.3228 8.3228 8.7797 8.7797 12.6792 12.6792 13.6393 13.6393 13.9414 13.9414 k = 0.0000 0.0000 0.6528 ( 2898 PWs) bands (ev): -30.4829 -30.4829 -11.8185 -11.8185 -11.4562 -11.4562 -11.4343 -11.4343 0.3602 0.3602 3.1920 3.1920 4.4104 4.4104 5.2149 5.2149 5.6829 5.6829 6.0604 6.0604 6.1744 6.1744 6.2601 6.2601 6.5107 6.5107 6.5837 6.5837 6.7203 6.7203 6.8286 6.8286 7.1194 7.1194 7.9115 7.9115 8.0279 8.0279 8.3511 8.3511 8.7339 8.7339 12.6018 12.6018 13.5512 13.5512 13.9245 13.9245 k = 0.0000 0.0000 0.6709 ( 2898 PWs) bands (ev): -30.4827 -30.4827 -11.8193 -11.8193 -11.4576 -11.4576 -11.4345 -11.4345 0.4069 0.4069 3.1925 3.1925 4.4002 4.4002 5.1639 5.1639 5.7173 5.7173 6.0726 6.0726 6.1828 6.1828 6.2737 6.2737 6.5012 6.5012 6.5694 6.5694 6.7180 6.7180 6.8268 6.8268 7.0887 7.0887 7.8666 7.8666 8.0223 8.0223 8.3811 8.3811 8.6848 8.6848 12.5368 12.5368 13.4598 13.4598 13.9066 13.9066 k = 0.0000 0.0000 0.6891 ( 2896 PWs) bands (ev): -30.4826 -30.4826 -11.8202 -11.8202 -11.4590 -11.4590 -11.4347 -11.4347 0.4519 0.4519 3.1932 3.1932 4.3914 4.3914 5.1152 5.1152 5.7517 5.7517 6.0844 6.0844 6.1912 6.1912 6.2878 6.2878 6.4923 6.4923 6.5554 6.5554 6.7169 6.7169 6.8254 6.8254 7.0571 7.0571 7.8228 7.8228 8.0171 8.0171 8.4122 8.4122 8.6324 8.6324 12.4843 12.4843 13.3672 13.3672 13.8878 13.8879 k = 0.0000 0.0000 0.7072 ( 2900 PWs) bands (ev): -30.4824 -30.4824 -11.8210 -11.8210 -11.4603 -11.4603 -11.4348 -11.4348 0.4953 0.4953 3.1940 3.1940 4.3842 4.3842 5.0689 5.0689 5.7858 5.7858 6.0959 6.0959 6.1996 6.1996 6.3019 6.3019 6.4843 6.4843 6.5417 6.5417 6.7170 6.7170 6.8239 6.8239 7.0252 7.0252 7.7802 7.7802 8.0122 8.0122 8.4442 8.4442 8.5767 8.5767 12.4442 12.4442 13.2750 13.2750 13.8681 13.8681 k = 0.0000 0.0000 0.7253 ( 2904 PWs) bands (ev): -30.4823 -30.4823 -11.8217 -11.8217 -11.4616 -11.4616 -11.4350 -11.4350 0.5366 0.5366 3.1949 3.1949 4.3786 4.3786 5.0251 5.0251 5.8193 5.8193 6.1072 6.1072 6.2078 6.2078 6.3157 6.3157 6.4775 6.4775 6.5287 6.5287 6.7183 6.7183 6.8221 6.8221 6.9933 6.9933 7.7388 7.7388 8.0077 8.0077 8.4761 8.4761 8.5185 8.5185 12.4165 12.4165 13.1842 13.1842 13.8475 13.8475 k = 0.0000 0.0000 0.7435 ( 2904 PWs) bands (ev): -30.4821 -30.4821 -11.8225 -11.8225 -11.4627 -11.4627 -11.4351 -11.4351 0.5759 0.5759 3.1960 3.1960 4.3748 4.3748 4.9838 4.9838 5.8519 5.8519 6.1182 6.1182 6.2159 6.2159 6.3285 6.3285 6.4728 6.4728 6.5165 6.5165 6.7208 6.7208 6.8198 6.8198 6.9622 6.9622 7.6986 7.6986 8.0035 8.0035 8.4551 8.4551 8.5105 8.5105 12.4008 12.4008 13.0958 13.0958 13.8257 13.8257 k = 0.0000 0.0000 0.7616 ( 2906 PWs) bands (ev): -30.4820 -30.4820 -11.8231 -11.8231 -11.4638 -11.4638 -11.4353 -11.4353 0.6130 0.6130 3.1971 3.1971 4.3727 4.3727 4.9452 4.9452 5.8834 5.8834 6.1289 6.1289 6.2236 6.2236 6.3396 6.3396 6.4708 6.4708 6.5054 6.5054 6.7243 6.7243 6.8164 6.8164 6.9326 6.9326 7.6598 7.6598 7.9996 7.9996 8.3917 8.3917 8.5426 8.5426 12.3967 12.3967 13.0105 13.0105 13.8027 13.8027 k = 0.0000 0.0000 0.7797 ( 2894 PWs) bands (ev): -30.4818 -30.4818 -11.8237 -11.8237 -11.4648 -11.4648 -11.4354 -11.4354 0.6476 0.6476 3.1982 3.1982 4.3722 4.3722 4.9093 4.9093 5.9135 5.9135 6.1394 6.1394 6.2310 6.2310 6.3479 6.3479 6.4725 6.4725 6.4957 6.4957 6.7287 6.7287 6.8110 6.8110 6.9058 6.9058 7.6223 7.6223 7.9960 7.9960 8.3263 8.3263 8.5745 8.5745 12.4035 12.4035 12.9291 12.9291 13.7782 13.7782 k = 0.0000 0.0000 0.7979 ( 2890 PWs) bands (ev): -30.4817 -30.4817 -11.8243 -11.8243 -11.4658 -11.4658 -11.4355 -11.4355 0.6797 0.6797 3.1994 3.1994 4.3733 4.3733 4.8761 4.8761 5.9419 5.9419 6.1496 6.1496 6.2377 6.2377 6.3528 6.3528 6.4768 6.4768 6.4894 6.4894 6.7332 6.7332 6.8025 6.8025 6.8837 6.8837 7.5863 7.5863 7.9927 7.9927 8.2601 8.2601 8.6055 8.6055 12.4205 12.4205 12.8519 12.8519 13.7519 13.7519 k = 0.0000 0.0000 0.8160 ( 2894 PWs) bands (ev): -30.4816 -30.4816 -11.8248 -11.8248 -11.4667 -11.4667 -11.4356 -11.4356 0.7093 0.7093 3.2006 3.2006 4.3756 4.3756 4.8456 4.8456 5.9686 5.9686 6.1591 6.1591 6.2435 6.2435 6.3547 6.3547 6.4749 6.4749 6.4951 6.4951 6.7361 6.7361 6.7909 6.7909 6.8678 6.8678 7.5519 7.5519 7.9897 7.9897 8.1939 8.1939 8.6353 8.6353 12.4469 12.4469 12.7795 12.7795 13.7234 13.7234 k = 0.0000 0.0000 0.8341 ( 2904 PWs) bands (ev): -30.4815 -30.4815 -11.8254 -11.8254 -11.4675 -11.4675 -11.4357 -11.4357 0.7362 0.7362 3.2017 3.2017 4.3790 4.3790 4.8179 4.8179 5.9934 5.9934 6.1679 6.1679 6.2484 6.2484 6.3546 6.3546 6.4694 6.4694 6.5095 6.5095 6.7329 6.7329 6.7810 6.7810 6.8579 6.8579 7.5192 7.5192 7.9868 7.9868 8.1288 8.1288 8.6637 8.6637 12.4817 12.4817 12.7124 12.7124 13.6925 13.6925 k = 0.0000 0.0000 0.8523 ( 2900 PWs) bands (ev): -30.4814 -30.4814 -11.8258 -11.8258 -11.4682 -11.4682 -11.4357 -11.4357 0.7603 0.7603 3.2028 3.2028 4.3833 4.3833 4.7931 4.7931 6.0162 6.0162 6.1758 6.1758 6.2524 6.2524 6.3540 6.3540 6.4645 6.4645 6.5273 6.5273 6.7189 6.7189 6.7794 6.7794 6.8521 6.8521 7.4885 7.4885 7.9839 7.9839 8.0660 8.0660 8.6901 8.6901 12.5239 12.5239 12.6510 12.6510 13.6589 13.6589 k = 0.0000 0.0000 0.8704 ( 2894 PWs) bands (ev): -30.4813 -30.4813 -11.8262 -11.8262 -11.4689 -11.4689 -11.4358 -11.4358 0.7817 0.7817 3.2038 3.2038 4.3881 4.3881 4.7711 4.7711 6.0370 6.0370 6.1822 6.1822 6.2552 6.2552 6.3537 6.3537 6.4610 6.4610 6.5469 6.5469 6.6977 6.6977 6.7845 6.7845 6.8486 6.8486 7.4600 7.4600 7.9790 7.9790 8.0086 8.0086 8.7144 8.7144 12.5720 12.5720 12.5958 12.5958 13.6222 13.6222 k = 0.0000 0.0000 0.8885 ( 2894 PWs) bands (ev): -30.4812 -30.4812 -11.8265 -11.8265 -11.4694 -11.4694 -11.4358 -11.4358 0.8002 0.8002 3.2048 3.2048 4.3931 4.3931 4.7520 4.7520 6.0557 6.0557 6.1867 6.1867 6.2572 6.2572 6.3545 6.3545 6.4589 6.4589 6.5669 6.5669 6.6741 6.6741 6.7921 6.7921 6.8463 6.8463 7.4340 7.4340 7.9457 7.9457 7.9843 7.9843 8.7362 8.7362 12.5470 12.5470 12.6249 12.6249 13.5826 13.5826 k = 0.0000 0.0000 0.9067 ( 2894 PWs) bands (ev): -30.4812 -30.4812 -11.8268 -11.8268 -11.4699 -11.4699 -11.4359 -11.4359 0.8160 0.8160 3.2056 3.2056 4.3980 4.3980 4.7359 4.7359 6.0725 6.0725 6.1891 6.1891 6.2585 6.2585 6.3563 6.3563 6.4586 6.4586 6.5865 6.5865 6.6504 6.6504 6.8005 6.8005 6.8445 6.8445 7.4108 7.4108 7.8969 7.8969 7.9811 7.9811 8.7552 8.7552 12.5050 12.5050 12.6805 12.6805 13.5404 13.5404 k = 0.0000 0.0000 0.9248 ( 2882 PWs) bands (ev): -30.4811 -30.4811 -11.8270 -11.8270 -11.4702 -11.4702 -11.4359 -11.4359 0.8288 0.8288 3.2063 3.2063 4.4025 4.4025 4.7226 4.7226 6.0873 6.0873 6.1893 6.1893 6.2597 6.2597 6.3590 6.3590 6.4600 6.4600 6.6043 6.6043 6.6283 6.6283 6.8089 6.8089 6.8430 6.8430 7.3909 7.3909 7.8538 7.8538 7.9795 7.9795 8.7712 8.7712 12.4703 12.4703 12.7365 12.7365 13.4969 13.4969 k = 0.0000 0.0000 0.9429 ( 2878 PWs) bands (ev): -30.4811 -30.4811 -11.8272 -11.8272 -11.4705 -11.4705 -11.4359 -11.4359 0.8388 0.8388 3.2069 3.2069 4.4064 4.4064 4.7123 4.7123 6.0998 6.0998 6.1877 6.1877 6.2607 6.2607 6.3618 6.3618 6.4632 6.4632 6.6068 6.6068 6.6211 6.6211 6.8166 6.8166 6.8413 6.8413 7.3748 7.3748 7.8185 7.8185 7.9784 7.9784 8.7839 8.7839 12.4430 12.4430 12.7896 12.7896 13.4544 13.4544 k = 0.0000 0.0000 0.9610 ( 2874 PWs) bands (ev): -30.4810 -30.4810 -11.8273 -11.8273 -11.4707 -11.4707 -11.4359 -11.4359 0.8460 0.8460 3.2073 3.2073 4.4093 4.4093 4.7049 4.7049 6.1097 6.1097 6.1850 6.1850 6.2616 6.2616 6.3642 6.3642 6.4673 6.4673 6.5906 6.5906 6.6325 6.6325 6.8234 6.8234 6.8394 6.8394 7.3628 7.3628 7.7923 7.7923 7.9777 7.9777 8.7931 8.7931 12.4233 12.4233 12.8353 12.8353 13.4167 13.4167 k = 0.0000 0.0000 0.9792 ( 2878 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4708 -11.4708 -11.4359 -11.4359 0.8503 0.8503 3.2075 3.2075 4.4111 4.4111 4.7004 4.7004 6.1162 6.1162 6.1825 6.1825 6.2622 6.2622 6.3657 6.3657 6.4711 6.4711 6.5793 6.5793 6.6401 6.6401 6.8290 6.8290 6.8368 6.8368 7.3554 7.3554 7.7761 7.7761 7.9772 7.9772 8.7987 8.7987 12.4114 12.4114 12.8672 12.8672 13.3897 13.3897 k = 0.0000 0.0000 0.9973 ( 2868 PWs) bands (ev): -30.4810 -30.4810 -11.8273 -11.8273 -11.4708 -11.4708 -11.4359 -11.4359 0.8517 0.8517 3.2076 3.2076 4.4118 4.4118 4.6990 4.6990 6.1186 6.1186 6.1815 6.1815 6.2625 6.2625 6.3663 6.3663 6.4726 6.4726 6.5752 6.5752 6.6427 6.6427 6.8334 6.8334 6.8335 6.8335 7.3529 7.3529 7.7708 7.7708 7.9770 7.9770 8.8005 8.8005 12.4074 12.4074 12.8789 12.8789 13.3797 13.3797 k = 0.0000 0.0000 0.9973 ( 2868 PWs) bands (ev): -30.4810 -30.4810 -11.8273 -11.8273 -11.4708 -11.4708 -11.4359 -11.4359 0.8517 0.8517 3.2076 3.2076 4.4118 4.4118 4.6990 4.6990 6.1186 6.1186 6.1815 6.1815 6.2625 6.2625 6.3663 6.3663 6.4726 6.4726 6.5752 6.5752 6.6427 6.6427 6.8334 6.8334 6.8335 6.8335 7.3529 7.3529 7.7708 7.7708 7.9770 7.9770 8.8005 8.8005 12.4074 12.4074 12.8789 12.8789 13.3797 13.3797 k =-0.0084 0.0145 0.9973 ( 2878 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4708 -11.4708 -11.4359 -11.4359 0.8517 0.8517 3.2026 3.2026 4.4129 4.4129 4.7026 4.7026 6.1189 6.1189 6.1811 6.1811 6.2624 6.2624 6.3661 6.3661 6.4725 6.4725 6.5745 6.5745 6.6383 6.6383 6.8315 6.8315 6.8345 6.8345 7.3580 7.3580 7.7708 7.7708 7.9806 7.9806 8.8027 8.8027 12.4068 12.4068 12.8789 12.8789 13.3817 13.3817 k =-0.0168 0.0290 0.9973 ( 2888 PWs) bands (ev): -30.4811 -30.4811 -11.8273 -11.8273 -11.4708 -11.4708 -11.4360 -11.4360 0.8519 0.8519 3.1877 3.1877 4.4162 4.4162 4.7135 4.7135 6.1199 6.1199 6.1800 6.1800 6.2622 6.2622 6.3658 6.3658 6.4721 6.4721 6.5725 6.5725 6.6255 6.6255 6.8284 6.8284 6.8350 6.8350 7.3729 7.3729 7.7709 7.7709 7.9915 7.9915 8.8092 8.8092 12.4050 12.4050 12.8790 12.8790 13.3874 13.3874 k =-0.0252 0.0435 0.9973 ( 2890 PWs) bands (ev): -30.4811 -30.4811 -11.8272 -11.8272 -11.4706 -11.4706 -11.4360 -11.4360 0.8521 0.8521 3.1634 3.1634 4.4218 4.4218 4.7310 4.7310 6.1214 6.1214 6.1781 6.1781 6.2621 6.2621 6.3652 6.3652 6.4713 6.4713 6.5690 6.5690 6.6059 6.6059 6.8240 6.8240 6.8352 6.8352 7.3966 7.3966 7.7713 7.7713 8.0097 8.0097 8.8199 8.8199 12.4020 12.4020 12.8791 12.8791 13.3966 13.3966 k =-0.0336 0.0579 0.9973 ( 2890 PWs) bands (ev): -30.4811 -30.4811 -11.8271 -11.8271 -11.4703 -11.4703 -11.4360 -11.4360 0.8523 0.8523 3.1306 3.1306 4.4296 4.4296 4.7544 4.7544 6.1236 6.1236 6.1752 6.1752 6.2620 6.2620 6.3644 6.3644 6.4701 6.4701 6.5627 6.5627 6.5824 6.5824 6.8182 6.8182 6.8351 6.8351 7.4278 7.4278 7.7720 7.7720 8.0351 8.0351 8.8348 8.8348 12.3979 12.3979 12.8793 12.8793 13.4085 13.4085 k =-0.0420 0.0724 0.9973 ( 2890 PWs) bands (ev): -30.4812 -30.4812 -11.8269 -11.8269 -11.4700 -11.4700 -11.4360 -11.4360 0.8526 0.8526 3.0902 3.0902 4.4397 4.4397 4.7827 4.7827 6.1263 6.1263 6.1712 6.1712 6.2621 6.2621 6.3632 6.3632 6.4679 6.4679 6.5453 6.5453 6.5655 6.5655 6.8111 6.8111 6.8349 6.8349 7.4651 7.4651 7.7730 7.7730 8.0674 8.0674 8.8538 8.8538 12.3928 12.3928 12.8796 12.8796 13.4223 13.4223 k =-0.0504 0.0869 0.9973 ( 2890 PWs) bands (ev): -30.4812 -30.4812 -11.8267 -11.8267 -11.4696 -11.4696 -11.4360 -11.4360 0.8529 0.8529 3.0433 3.0433 4.4519 4.4519 4.8148 4.8148 6.1294 6.1294 6.1658 6.1658 6.2625 6.2625 6.3617 6.3617 6.4633 6.4633 6.5178 6.5178 6.5575 6.5575 6.8029 6.8029 6.8346 6.8346 7.5072 7.5072 7.7746 7.7746 8.1066 8.1066 8.8768 8.8768 12.3867 12.3867 12.8800 12.8800 13.4365 13.4365 k =-0.0588 0.1014 0.9973 ( 2898 PWs) bands (ev): -30.4813 -30.4813 -11.8264 -11.8264 -11.4691 -11.4691 -11.4361 -11.4361 0.8531 0.8531 2.9909 2.9909 4.4664 4.4664 4.8499 4.8499 6.1327 6.1327 6.1585 6.1585 6.2631 6.2631 6.3598 6.3598 6.4518 6.4518 6.4943 6.4943 6.5503 6.5503 6.7936 6.7936 6.8341 6.8341 7.5528 7.5528 7.7769 7.7769 8.1525 8.1525 8.9036 8.9036 12.3800 12.3800 12.8806 12.8806 13.4496 13.4496 k =-0.0671 0.1159 0.9973 ( 2894 PWs) bands (ev): -30.4813 -30.4813 -11.8261 -11.8261 -11.4686 -11.4686 -11.4361 -11.4361 0.8533 0.8533 2.9338 2.9338 4.4831 4.4831 4.8871 4.8871 6.1360 6.1360 6.1488 6.1488 6.2640 6.2640 6.3573 6.3573 6.4291 6.4291 6.4822 6.4822 6.5428 6.5428 6.7837 6.7837 6.8338 6.8338 7.6008 7.6008 7.7805 7.7805 8.2050 8.2050 8.9341 8.9341 12.3726 12.3726 12.8813 12.8813 13.4597 13.4597 k =-0.0755 0.1304 0.9973 ( 2898 PWs) bands (ev): -30.4814 -30.4814 -11.8258 -11.8258 -11.4680 -11.4680 -11.4361 -11.4361 0.8533 0.8533 2.8730 2.8730 4.5019 4.5019 4.9255 4.9255 6.1358 6.1358 6.1394 6.1394 6.2652 6.2652 6.3539 6.3539 6.4018 6.4018 6.4768 6.4768 6.5350 6.5350 6.7733 6.7733 6.8332 6.8332 7.6495 7.6495 7.7865 7.7865 8.2639 8.2639 8.9682 8.9682 12.3648 12.3648 12.8824 12.8824 13.4648 13.4648 k =-0.0839 0.1449 0.9973 ( 2890 PWs) bands (ev): -30.4815 -30.4815 -11.8253 -11.8253 -11.4672 -11.4672 -11.4361 -11.4361 0.8530 0.8530 2.8092 2.8092 4.5230 4.5230 4.9645 4.9645 6.1195 6.1195 6.1417 6.1417 6.2666 6.2666 6.3489 6.3489 6.3774 6.3774 6.4735 6.4735 6.5270 6.5270 6.7627 6.7627 6.8326 6.8326 7.6951 7.6951 7.7981 7.7981 8.3291 8.3291 9.0056 9.0056 12.3567 12.3567 12.8837 12.8837 13.4629 13.4629 k =-0.0839 0.1449 0.9973 ( 2890 PWs) bands (ev): -30.4815 -30.4815 -11.8253 -11.8253 -11.4672 -11.4672 -11.4361 -11.4361 0.8530 0.8530 2.8092 2.8092 4.5230 4.5230 4.9645 4.9645 6.1195 6.1195 6.1417 6.1417 6.2666 6.2666 6.3489 6.3489 6.3774 6.3774 6.4735 6.4735 6.5270 6.5270 6.7627 6.7627 6.8326 6.8326 7.6951 7.6951 7.7981 7.7981 8.3291 8.3291 9.0056 9.0056 12.3567 12.3567 12.8837 12.8837 13.4629 13.4629 k =-0.0902 0.1557 0.9847 ( 2894 PWs) bands (ev): -30.4816 -30.4816 -11.8250 -11.8250 -11.4667 -11.4667 -11.4361 -11.4361 0.8521 0.8521 2.7598 2.7598 4.5395 4.5395 4.9944 4.9944 6.1032 6.1032 6.1428 6.1428 6.2682 6.2682 6.3413 6.3413 6.3646 6.3646 6.4708 6.4708 6.5223 6.5223 6.7548 6.7548 6.8324 6.8324 7.7178 7.7178 7.8223 7.8223 8.3819 8.3819 9.0354 9.0354 12.3524 12.3524 12.8811 12.8811 13.4580 13.4580 k =-0.0965 0.1666 0.9722 ( 2894 PWs) bands (ev): -30.4817 -30.4817 -11.8247 -11.8247 -11.4661 -11.4661 -11.4361 -11.4361 0.8500 0.8500 2.7099 2.7099 4.5558 4.5558 5.0249 5.0249 6.0830 6.0830 6.1428 6.1428 6.2702 6.2702 6.3292 6.3292 6.3585 6.3585 6.4677 6.4677 6.5198 6.5198 6.7471 6.7471 6.8327 6.8327 7.7257 7.7257 7.8667 7.8667 8.4379 8.4379 9.0659 9.0659 12.3519 12.3519 12.8718 12.8718 13.4510 13.4510 k =-0.1028 0.1775 0.9596 ( 2896 PWs) bands (ev): -30.4818 -30.4818 -11.8243 -11.8243 -11.4654 -11.4654 -11.4360 -11.4360 0.8467 0.8467 2.6596 2.6596 4.5716 4.5716 5.0560 5.0560 6.0596 6.0596 6.1419 6.1419 6.2705 6.2705 6.3176 6.3176 6.3557 6.3557 6.4650 6.4650 6.5183 6.5183 6.7399 6.7399 6.8333 6.8333 7.7283 7.7283 7.9216 7.9216 8.4964 8.4964 9.0978 9.0978 12.3552 12.3552 12.8574 12.8574 13.4399 13.4399 k =-0.1091 0.1884 0.9470 ( 2900 PWs) bands (ev): -30.4819 -30.4819 -11.8239 -11.8239 -11.4647 -11.4647 -11.4359 -11.4359 0.8423 0.8423 2.6093 2.6093 4.5864 4.5864 5.0873 5.0873 6.0339 6.0339 6.1403 6.1403 6.2667 6.2667 6.3100 6.3100 6.3545 6.3545 6.4637 6.4637 6.5169 6.5169 6.7334 6.7334 6.8343 6.8343 7.7305 7.7305 7.9813 7.9813 8.5570 8.5570 9.1316 9.1316 12.3623 12.3623 12.8391 12.8391 13.4235 13.4235 k =-0.1155 0.1993 0.9344 ( 2898 PWs) bands (ev): -30.4820 -30.4820 -11.8234 -11.8234 -11.4640 -11.4640 -11.4357 -11.4357 0.8370 0.8370 2.5592 2.5592 4.6001 4.6001 5.1187 5.1187 6.0068 6.0068 6.1379 6.1379 6.2592 6.2592 6.3062 6.3062 6.3542 6.3542 6.4644 6.4644 6.5149 6.5149 6.7277 6.7277 6.8356 6.8356 7.7343 7.7343 8.0439 8.0439 8.6187 8.6187 9.1681 9.1681 12.3732 12.3732 12.8183 12.8183 13.4014 13.4014 k =-0.1218 0.2101 0.9219 ( 2894 PWs) bands (ev): -30.4821 -30.4821 -11.8229 -11.8229 -11.4633 -11.4633 -11.4355 -11.4355 0.8307 0.8307 2.5096 2.5096 4.6123 4.6123 5.1500 5.1500 5.9792 5.9792 6.1347 6.1347 6.2504 6.2504 6.3039 6.3039 6.3544 6.3544 6.4677 6.4677 6.5120 6.5120 6.7228 6.7228 6.8369 6.8369 7.7406 7.7406 8.1081 8.1081 8.6804 8.6804 9.2083 9.2083 12.3878 12.3878 12.7961 12.7961 13.3736 13.3736 k =-0.1281 0.2210 0.9093 ( 2898 PWs) bands (ev): -30.4822 -30.4822 -11.8224 -11.8224 -11.4626 -11.4626 -11.4352 -11.4352 0.8237 0.8237 2.4606 2.4606 4.6228 4.6228 5.1812 5.1812 5.9518 5.9518 6.1302 6.1302 6.2423 6.2423 6.3013 6.3013 6.3544 6.3544 6.4733 6.4733 6.5081 6.5081 6.7189 6.7189 6.8383 6.8383 7.7497 7.7497 8.1734 8.1734 8.7406 8.7406 9.2537 9.2537 12.4063 12.4063 12.7735 12.7735 13.3405 13.3405 k =-0.1344 0.2319 0.8967 ( 2905 PWs) bands (ev): -30.4823 -30.4823 -11.8220 -11.8220 -11.4620 -11.4620 -11.4348 -11.4348 0.8160 0.8160 2.4124 2.4124 4.6313 4.6313 5.2121 5.2121 5.9252 5.9252 6.1244 6.1244 6.2359 6.2359 6.2983 6.2983 6.3537 6.3537 6.4806 6.4806 6.5036 6.5036 6.7159 6.7159 6.8393 6.8393 7.7622 7.7622 8.2391 8.2391 8.7979 8.7979 9.3057 9.3057 12.4284 12.4284 12.7511 12.7511 13.3030 13.3030 k =-0.1407 0.2428 0.8841 ( 2904 PWs) bands (ev): -30.4824 -30.4824 -11.8215 -11.8215 -11.4614 -11.4614 -11.4343 -11.4343 0.8077 0.8077 2.3653 2.3653 4.6376 4.6376 5.2426 5.2426 5.9000 5.9000 6.1172 6.1172 6.2317 6.2317 6.2949 6.2949 6.3520 6.3520 6.4872 6.4872 6.5008 6.5008 6.7137 6.7137 6.8402 6.8402 7.7783 7.7783 8.3049 8.3049 8.8507 8.8507 9.3657 9.3657 12.4542 12.4542 12.7296 12.7296 13.2617 13.2617 k =-0.1470 0.2537 0.8716 ( 2898 PWs) bands (ev): -30.4826 -30.4826 -11.8209 -11.8209 -11.4609 -11.4609 -11.4336 -11.4336 0.7989 0.7989 2.3192 2.3192 4.6416 4.6416 5.2728 5.2728 5.8764 5.8764 6.1088 6.1088 6.2294 6.2294 6.2915 6.2915 6.3491 6.3491 6.4857 6.4857 6.5066 6.5066 6.7123 6.7123 6.8407 6.8407 7.7983 7.7983 8.3704 8.3704 8.8980 8.8980 9.4346 9.4346 12.4837 12.4837 12.7095 12.7095 13.2173 13.2173 k =-0.1533 0.2645 0.8590 ( 2896 PWs) bands (ev): -30.4827 -30.4827 -11.8204 -11.8204 -11.4604 -11.4604 -11.4328 -11.4328 0.7897 0.7897 2.2745 2.2745 4.6432 4.6432 5.3026 5.3026 5.8547 5.8547 6.0994 6.0994 6.2288 6.2288 6.2881 6.2881 6.3452 6.3452 6.4797 6.4797 6.5170 6.5170 6.7114 6.7114 6.8406 6.8406 7.8224 7.8224 8.4351 8.4351 8.9394 8.9394 9.5128 9.5128 12.5166 12.5166 12.6911 12.6911 13.1704 13.1704 k =-0.1596 0.2754 0.8464 ( 2900 PWs) bands (ev): -30.4828 -30.4828 -11.8200 -11.8200 -11.4601 -11.4601 -11.4320 -11.4320 0.7803 0.7803 2.2311 2.2311 4.6425 4.6425 5.3320 5.3320 5.8350 5.8350 6.0895 6.0895 6.2294 6.2294 6.2849 6.2849 6.3403 6.3403 6.4729 6.4729 6.5282 6.5282 6.7110 6.7110 6.8398 6.8398 7.8508 7.8508 8.4987 8.4987 8.9748 8.9748 9.6001 9.6001 12.5529 12.5529 12.6749 12.6749 13.1216 13.1216 k =-0.1659 0.2863 0.8339 ( 2904 PWs) bands (ev): -30.4830 -30.4830 -11.8195 -11.8195 -11.4598 -11.4598 -11.4310 -11.4310 0.7706 0.7706 2.1892 2.1892 4.6394 4.6394 5.3608 5.3608 5.8174 5.8174 6.0792 6.0792 6.2307 6.2307 6.2819 6.2819 6.3347 6.3347 6.4663 6.4663 6.5390 6.5390 6.7109 6.7109 6.8382 6.8382 7.8835 7.8835 8.5609 8.5609 9.0051 9.0051 9.6957 9.6957 12.5925 12.5925 12.6609 12.6609 13.0714 13.0714 k =-0.1722 0.2972 0.8213 ( 2898 PWs) bands (ev): -30.4831 -30.4831 -11.8190 -11.8190 -11.4596 -11.4596 -11.4299 -11.4299 0.7609 0.7609 2.1489 2.1489 4.6342 4.6342 5.3892 5.3892 5.8019 5.8019 6.0691 6.0691 6.2319 6.2319 6.2794 6.2794 6.3287 6.3287 6.4603 6.4603 6.5492 6.5492 6.7112 6.7112 6.8359 6.8359 7.9207 7.9207 8.6213 8.6213 9.0308 9.0308 9.7988 9.7988 12.6345 12.6345 12.6499 12.6499 13.0206 13.0206 k =-0.1785 0.3081 0.8087 ( 2896 PWs) bands (ev): -30.4832 -30.4832 -11.8185 -11.8185 -11.4594 -11.4594 -11.4287 -11.4287 0.7511 0.7511 2.1103 2.1103 4.6271 4.6271 5.4171 5.4171 5.7883 5.7883 6.0591 6.0591 6.2324 6.2324 6.2772 6.2772 6.3228 6.3228 6.4552 6.4552 6.5584 6.5584 6.7116 6.7116 6.8326 6.8326 7.9621 7.9621 8.6796 8.6796 9.0527 9.0527 9.9085 9.9085 12.6387 12.6387 12.6818 12.6818 12.9697 12.9697 k =-0.1848 0.3189 0.7961 ( 2893 PWs) bands (ev): -30.4834 -30.4834 -11.8181 -11.8181 -11.4594 -11.4594 -11.4275 -11.4275 0.7414 0.7414 2.0734 2.0734 4.6183 4.6183 5.4445 5.4445 5.7765 5.7765 6.0496 6.0496 6.2311 6.2311 6.2754 6.2754 6.3178 6.3178 6.4513 6.4513 6.5664 6.5664 6.7122 6.7122 6.8284 6.8284 8.0077 8.0077 8.7354 8.7354 9.0715 9.0715 10.0240 10.0240 12.6305 12.6305 12.7305 12.7305 12.9198 12.9198 k =-0.1911 0.3298 0.7836 ( 2895 PWs) bands (ev): -30.4835 -30.4835 -11.8176 -11.8176 -11.4594 -11.4594 -11.4262 -11.4262 0.7318 0.7318 2.0383 2.0383 4.6080 4.6080 5.4714 5.4714 5.7662 5.7662 6.0406 6.0406 6.2272 6.2272 6.2739 6.2739 6.3145 6.3145 6.4487 6.4487 6.5732 6.5732 6.7129 6.7129 6.8232 6.8232 8.0572 8.0572 8.7884 8.7884 9.0877 9.0877 10.1444 10.1444 12.6224 12.6224 12.7820 12.7820 12.8725 12.8725 k =-0.1974 0.3407 0.7710 ( 2893 PWs) bands (ev): -30.4836 -30.4836 -11.8172 -11.8172 -11.4594 -11.4594 -11.4249 -11.4249 0.7225 0.7225 2.0050 2.0050 4.5966 4.5966 5.4978 5.4978 5.7574 5.7574 6.0323 6.0323 6.2201 6.2201 6.2726 6.2726 6.3135 6.3135 6.4474 6.4474 6.5787 6.5787 6.7136 6.7136 6.8170 6.8170 8.1102 8.1102 8.8384 8.8384 9.1017 9.1017 10.2694 10.2694 12.6120 12.6120 12.8297 12.8297 12.8371 12.8371 k =-0.2037 0.3516 0.7584 ( 2891 PWs) bands (ev): -30.4838 -30.4838 -11.8168 -11.8168 -11.4595 -11.4595 -11.4236 -11.4236 0.7134 0.7134 1.9737 1.9737 4.5844 4.5844 5.5235 5.5235 5.7499 5.7499 6.0247 6.0247 6.2100 6.2100 6.2718 6.2718 6.3144 6.3144 6.4475 6.4475 6.5831 6.5831 6.7143 6.7143 6.8099 6.8099 8.1663 8.1663 8.8849 8.8849 9.1140 9.1140 10.3982 10.3982 12.5955 12.5955 12.7981 12.7981 12.8929 12.8929 k =-0.2100 0.3625 0.7458 ( 2895 PWs) bands (ev): -30.4839 -30.4839 -11.8165 -11.8165 -11.4597 -11.4597 -11.4223 -11.4223 0.7047 0.7047 1.9444 1.9444 4.5717 4.5717 5.5487 5.5487 5.7435 5.7435 6.0179 6.0179 6.1972 6.1972 6.2713 6.2713 6.3167 6.3167 6.4491 6.4491 6.5864 6.5864 6.7150 6.7150 6.8020 6.8020 8.2251 8.2251 8.9277 8.9277 9.1246 9.1246 10.5303 10.5303 12.5692 12.5692 12.7792 12.7792 12.9516 12.9516 k =-0.2163 0.3733 0.7333 ( 2900 PWs) bands (ev): -30.4840 -30.4840 -11.8162 -11.8162 -11.4598 -11.4598 -11.4210 -11.4210 0.6964 0.6964 1.9170 1.9170 4.5587 4.5587 5.5732 5.5732 5.7381 5.7381 6.0118 6.0118 6.1824 6.1824 6.2712 6.2712 6.3197 6.3197 6.4522 6.4522 6.5888 6.5888 6.7156 6.7156 6.7932 6.7932 8.2858 8.2858 8.9665 8.9665 9.1339 9.1339 10.6654 10.6654 12.5326 12.5326 12.7745 12.7745 13.0122 13.0122 k =-0.2226 0.3842 0.7207 ( 2894 PWs) bands (ev): -30.4841 -30.4841 -11.8158 -11.8158 -11.4600 -11.4600 -11.4197 -11.4197 0.6885 0.6885 1.8917 1.8917 4.5459 4.5459 5.5969 5.5969 5.7338 5.7338 6.0065 6.0065 6.1663 6.1663 6.2715 6.2715 6.3229 6.3229 6.4568 6.4568 6.5904 6.5904 6.7161 6.7161 6.7838 6.7838 8.3480 8.3480 9.0010 9.0010 9.1421 9.1421 10.8028 10.8028 12.4888 12.4888 12.7813 12.7813 13.0745 13.0745 k =-0.2289 0.3951 0.7081 ( 2895 PWs) bands (ev): -30.4842 -30.4842 -11.8156 -11.8156 -11.4601 -11.4601 -11.4185 -11.4185 0.6812 0.6812 1.8685 1.8685 4.5333 4.5333 5.6196 5.6196 5.7306 5.7306 6.0018 6.0018 6.1492 6.1492 6.2720 6.2720 6.3261 6.3261 6.4627 6.4627 6.5913 6.5913 6.7164 6.7164 6.7738 6.7738 8.4108 8.4108 9.0311 9.0311 9.1493 9.1493 10.9420 10.9420 12.4411 12.4411 12.7965 12.7965 13.1379 13.1379 k =-0.2352 0.4060 0.6955 ( 2893 PWs) bands (ev): -30.4843 -30.4843 -11.8153 -11.8153 -11.4603 -11.4603 -11.4173 -11.4173 0.6745 0.6745 1.8475 1.8475 4.5213 4.5213 5.6406 5.6406 5.7289 5.7289 5.9979 5.9979 6.1315 6.1315 6.2727 6.2727 6.3289 6.3289 6.4699 6.4699 6.5917 6.5917 6.7165 6.7165 6.7635 6.7635 8.4736 8.4736 9.0565 9.0565 9.1555 9.1555 11.0824 11.0824 12.3923 12.3923 12.8177 12.8177 13.2019 13.2019 k =-0.2415 0.4169 0.6830 ( 2897 PWs) bands (ev): -30.4844 -30.4844 -11.8151 -11.8151 -11.4605 -11.4605 -11.4163 -11.4163 0.6683 0.6683 1.8285 1.8285 4.5100 4.5100 5.6593 5.6593 5.7293 5.7293 5.9946 5.9946 6.1135 6.1135 6.2736 6.2736 6.3312 6.3312 6.4780 6.4780 6.5917 6.5917 6.7161 6.7161 6.7531 6.7531 8.5355 8.5355 9.0770 9.0770 9.1609 9.1609 11.2232 11.2232 12.3441 12.3441 12.8433 12.8433 13.2659 13.2659 k =-0.2478 0.4277 0.6704 ( 2899 PWs) bands (ev): -30.4845 -30.4845 -11.8149 -11.8149 -11.4607 -11.4607 -11.4154 -11.4154 0.6628 0.6628 1.8118 1.8118 4.4996 4.4996 5.6740 5.6740 5.7332 5.7332 5.9919 5.9919 6.0955 6.0955 6.2745 6.2745 6.3331 6.3331 6.4869 6.4869 6.5914 6.5914 6.7150 6.7150 6.7433 6.7433 8.5956 8.5956 9.0927 9.0927 9.1655 9.1655 11.3634 11.3634 12.2980 12.2980 12.8721 12.8721 13.3286 13.3286 k =-0.2541 0.4386 0.6578 ( 2899 PWs) bands (ev): -30.4845 -30.4845 -11.8147 -11.8147 -11.4608 -11.4608 -11.4145 -11.4145 0.6579 0.6579 1.7972 1.7972 4.4903 4.4903 5.6835 5.6835 5.7418 5.7418 5.9896 5.9896 6.0779 6.0779 6.2755 6.2755 6.3347 6.3347 6.4963 6.4963 6.5911 6.5911 6.7123 6.7123 6.7349 6.7349 8.6530 8.6530 9.1036 9.1036 9.1694 9.1694 11.5017 11.5017 12.2553 12.2553 12.9030 12.9030 13.3878 13.3878 k =-0.2604 0.4495 0.6452 ( 2897 PWs) bands (ev): -30.4846 -30.4846 -11.8146 -11.8146 -11.4609 -11.4609 -11.4138 -11.4138 0.6538 0.6538 1.7849 1.7849 4.4822 4.4822 5.6883 5.6883 5.7541 5.7541 5.9877 5.9877 6.0611 6.0611 6.2764 6.2764 6.3358 6.3358 6.5057 6.5057 6.5908 6.5908 6.7070 6.7070 6.7294 6.7294 8.7063 8.7063 9.1100 9.1100 9.1725 9.1725 11.6361 11.6361 12.2170 12.2170 12.9348 12.9348 13.4320 13.4320 k =-0.2668 0.4604 0.6327 ( 2895 PWs) bands (ev): -30.4846 -30.4846 -11.8144 -11.8144 -11.4610 -11.4610 -11.4131 -11.4131 0.6503 0.6503 1.7748 1.7748 4.4755 4.4755 5.6903 5.6903 5.7679 5.7679 5.9862 5.9862 6.0456 6.0456 6.2773 6.2773 6.3367 6.3367 6.5146 6.5146 6.5906 6.5906 6.6997 6.6997 6.7265 6.7265 8.7545 8.7545 9.1121 9.1121 9.1750 9.1750 11.7634 11.7634 12.1842 12.1842 12.9658 12.9658 13.3810 13.3810 k =-0.2731 0.4713 0.6201 ( 2899 PWs) bands (ev): -30.4847 -30.4847 -11.8144 -11.8144 -11.4611 -11.4611 -11.4127 -11.4127 0.6477 0.6477 1.7669 1.7669 4.4702 4.4702 5.6909 5.6909 5.7810 5.7810 5.9849 5.9849 6.0321 6.0321 6.2780 6.2780 6.3373 6.3373 6.5226 6.5226 6.5905 6.5905 6.6919 6.6919 6.7252 6.7252 8.7958 8.7958 9.1110 9.1110 9.1768 9.1768 11.8790 11.8790 12.1580 12.1580 12.9943 12.9943 13.2768 13.2768 k =-0.2794 0.4821 0.6075 ( 2899 PWs) bands (ev): -30.4847 -30.4847 -11.8143 -11.8143 -11.4612 -11.4612 -11.4123 -11.4123 0.6457 0.6457 1.7612 1.7612 4.4663 4.4663 5.6911 5.6911 5.7919 5.7919 5.9838 5.9838 6.0214 6.0214 6.2785 6.2785 6.3377 6.3377 6.5289 6.5289 6.5906 6.5906 6.6852 6.6852 6.7245 6.7245 8.8281 8.8281 9.1079 9.1079 9.1781 9.1781 11.9747 11.9747 12.1395 12.1395 13.0178 13.0178 13.1846 13.1846 k =-0.2857 0.4930 0.5949 ( 2895 PWs) bands (ev): -30.4847 -30.4847 -11.8142 -11.8142 -11.4612 -11.4612 -11.4121 -11.4121 0.6446 0.6446 1.7578 1.7578 4.4640 4.4640 5.6911 5.6911 5.7991 5.7991 5.9830 5.9830 6.0147 6.0147 6.2788 6.2788 6.3379 6.3379 6.5331 6.5331 6.5909 6.5909 6.6807 6.6807 6.7242 6.7242 8.8490 8.8490 9.1047 9.1047 9.1789 9.1789 12.0389 12.0389 12.1299 12.1299 13.0335 13.0335 13.1204 13.1204 k =-0.2920 0.5039 0.5824 ( 2894 PWs) bands (ev): -30.4847 -30.4847 -11.8142 -11.8142 -11.4612 -11.4612 -11.4120 -11.4120 0.6442 0.6442 1.7567 1.7567 4.4632 4.4632 5.6910 5.6910 5.8016 5.8016 5.9826 5.9826 6.0124 6.0124 6.2790 6.2790 6.3380 6.3380 6.5345 6.5345 6.5910 6.5910 6.6790 6.6790 6.7241 6.7241 8.8563 8.8563 9.1033 9.1033 9.1791 9.1791 12.0608 12.0608 12.1280 12.1280 13.0390 13.0390 13.0970 13.0970 k =-0.2920 0.5039 0.5824 ( 2894 PWs) bands (ev): -30.4847 -30.4847 -11.8142 -11.8142 -11.4612 -11.4612 -11.4120 -11.4120 0.6442 0.6442 1.7567 1.7567 4.4632 4.4632 5.6910 5.6910 5.8016 5.8016 5.9826 5.9826 6.0124 6.0124 6.2790 6.2790 6.3380 6.3380 6.5345 6.5345 6.5910 6.5910 6.6790 6.6790 6.7241 6.7241 8.8563 8.8563 9.1033 9.1033 9.1791 9.1791 12.0608 12.0608 12.1280 12.1280 13.0390 13.0390 13.0970 13.0970 k =-0.2856 0.4929 0.5697 ( 2898 PWs) bands (ev): -30.4847 -30.4847 -11.8147 -11.8147 -11.4620 -11.4620 -11.4118 -11.4118 0.6305 0.6305 1.8208 1.8208 4.4339 4.4339 5.6900 5.6900 5.8113 5.8113 5.9736 5.9736 6.0196 6.0196 6.2925 6.2925 6.3385 6.3385 6.5299 6.5299 6.5818 6.5818 6.6621 6.6621 6.7164 6.7164 8.7993 8.7993 9.0839 9.0839 9.1289 9.1289 11.9639 11.9639 12.1977 12.1977 13.0570 13.0570 13.1006 13.1006 k =-0.2793 0.4820 0.5570 ( 2898 PWs) bands (ev): -30.4846 -30.4846 -11.8151 -11.8151 -11.4625 -11.4625 -11.4116 -11.4116 0.6130 0.6130 1.8854 1.8854 4.4100 4.4100 5.6869 5.6869 5.8217 5.8217 5.9610 5.9610 6.0314 6.0314 6.3036 6.3036 6.3398 6.3398 6.5254 6.5254 6.5752 6.5752 6.6462 6.6462 6.7108 6.7108 8.7449 8.7449 8.9939 8.9939 9.1515 9.1515 11.8618 11.8618 12.2729 12.2729 13.0203 13.0203 13.1619 13.1619 k =-0.2729 0.4710 0.5444 ( 2894 PWs) bands (ev): -30.4846 -30.4846 -11.8154 -11.8154 -11.4630 -11.4630 -11.4115 -11.4115 0.5916 0.5916 1.9504 1.9504 4.3915 4.3915 5.6817 5.6817 5.8327 5.8327 5.9484 5.9484 6.0446 6.0446 6.3097 6.3097 6.3442 6.3442 6.5210 6.5210 6.5713 6.5713 6.6317 6.6317 6.7070 6.7070 8.6932 8.6932 8.9051 8.9051 9.1751 9.1751 11.7588 11.7588 12.3494 12.3494 12.9860 12.9860 13.2228 13.2228 k =-0.2666 0.4601 0.5317 ( 2896 PWs) bands (ev): -30.4845 -30.4845 -11.8156 -11.8156 -11.4634 -11.4634 -11.4113 -11.4113 0.5665 0.5665 2.0158 2.0158 4.3785 4.3785 5.6740 5.6740 5.8435 5.8435 5.9371 5.9371 6.0585 6.0585 6.3098 6.3098 6.3524 6.3524 6.5163 6.5163 6.5700 6.5700 6.6194 6.6194 6.7049 6.7049 8.6445 8.6445 8.8183 8.8183 9.1992 9.1992 11.6556 11.6556 12.4265 12.4265 12.9544 12.9544 13.2825 13.2825 k =-0.2602 0.4491 0.5191 ( 2894 PWs) bands (ev): -30.4845 -30.4845 -11.8157 -11.8157 -11.4636 -11.4636 -11.4112 -11.4112 0.5378 0.5378 2.0811 2.0811 4.3707 4.3707 5.6638 5.6638 5.8527 5.8527 5.9292 5.9292 6.0729 6.0729 6.3058 6.3058 6.3621 6.3621 6.5115 6.5115 6.5715 6.5715 6.6099 6.6099 6.7046 6.7046 8.5989 8.5989 8.7336 8.7336 9.2238 9.2238 11.5525 11.5525 12.5036 12.5036 12.9254 12.9254 13.3401 13.3401 k =-0.2539 0.4382 0.5064 ( 2894 PWs) bands (ev): -30.4845 -30.4845 -11.8158 -11.8158 -11.4636 -11.4636 -11.4111 -11.4111 0.5056 0.5056 2.1464 2.1464 4.3679 4.3679 5.6511 5.6511 5.8574 5.8574 5.9276 5.9276 6.0876 6.0876 6.2995 6.2995 6.3714 6.3714 6.5068 6.5068 6.5754 6.5754 6.6038 6.6038 6.7058 6.7058 8.5563 8.5563 8.6512 8.6512 9.2489 9.2489 11.4497 11.4497 12.5798 12.5798 12.8991 12.8991 13.3944 13.3944 k =-0.2475 0.4272 0.4937 ( 2898 PWs) bands (ev): -30.4845 -30.4845 -11.8158 -11.8158 -11.4636 -11.4636 -11.4110 -11.4110 0.4701 0.4701 2.2113 2.2113 4.3697 4.3697 5.6360 5.6360 5.8556 5.8556 5.9347 5.9347 6.1024 6.1024 6.2919 6.2919 6.3786 6.3786 6.5027 6.5027 6.5817 6.5817 6.6016 6.6016 6.7085 6.7085 8.5158 8.5158 8.5722 8.5722 9.2746 9.2746 11.3475 11.3475 12.6544 12.6544 12.8754 12.8754 13.4443 13.4443 k =-0.2412 0.4163 0.4811 ( 2902 PWs) bands (ev): -30.4845 -30.4845 -11.8156 -11.8156 -11.4635 -11.4635 -11.4110 -11.4110 0.4317 0.4317 2.2756 2.2756 4.3757 4.3757 5.6185 5.6185 5.8484 5.8484 5.9492 5.9492 6.1174 6.1174 6.2835 6.2835 6.3826 6.3826 6.5004 6.5004 6.5898 6.5898 6.6031 6.6031 6.7126 6.7126 8.4706 8.4706 8.5036 8.5036 9.3009 9.3009 11.2460 11.2460 12.7261 12.7261 12.8544 12.8544 13.4888 13.4888 k =-0.2348 0.4053 0.4684 ( 2906 PWs) bands (ev): -30.4845 -30.4845 -11.8154 -11.8154 -11.4632 -11.4632 -11.4110 -11.4110 0.3905 0.3905 2.3391 2.3391 4.3854 4.3854 5.5992 5.5992 5.8387 5.8387 5.9686 5.9686 6.1322 6.1322 6.2751 6.2751 6.3827 6.3827 6.5012 6.5012 6.5994 6.5994 6.6085 6.6085 6.7180 6.7180 8.4046 8.4046 8.4614 8.4614 9.3281 9.3281 11.1454 11.1454 12.7930 12.7930 12.8362 12.8362 13.5273 13.5273 k =-0.2285 0.3943 0.4558 ( 2902 PWs) bands (ev): -30.4846 -30.4846 -11.8151 -11.8151 -11.4627 -11.4627 -11.4110 -11.4110 0.3469 0.3469 2.4017 2.4017 4.3981 4.3981 5.5784 5.5784 5.8280 5.8280 5.9914 5.9914 6.1467 6.1467 6.2673 6.2673 6.3788 6.3788 6.5057 6.5057 6.6095 6.6095 6.6176 6.6176 6.7248 6.7248 8.3314 8.3314 8.4323 8.4323 9.3560 9.3560 11.0457 11.0457 12.8188 12.8188 12.8552 12.8552 13.5601 13.5601 k =-0.2221 0.3834 0.4431 ( 2898 PWs) bands (ev): -30.4846 -30.4846 -11.8147 -11.8147 -11.4621 -11.4621 -11.4110 -11.4110 0.3012 0.3012 2.4630 2.4630 4.4133 4.4133 5.5565 5.5565 5.8171 5.8171 6.0166 6.0166 6.1605 6.1605 6.2605 6.2605 6.3716 6.3716 6.5136 6.5136 6.6203 6.6203 6.6299 6.6299 6.7327 6.7327 8.2585 8.2585 8.4087 8.4087 9.3849 9.3849 10.9470 10.9470 12.8058 12.8058 12.9061 12.9061 13.5887 13.5887 k =-0.2158 0.3724 0.4304 ( 2898 PWs) bands (ev): -30.4847 -30.4847 -11.8143 -11.8143 -11.4614 -11.4614 -11.4111 -11.4111 0.2537 0.2537 2.5228 2.5228 4.4302 4.4302 5.5341 5.5341 5.8062 5.8062 6.0436 6.0436 6.1730 6.1730 6.2558 6.2558 6.3625 6.3625 6.5243 6.5243 6.6322 6.6322 6.6441 6.6441 6.7419 6.7419 8.1869 8.1869 8.3896 8.3896 9.4147 9.4147 10.8495 10.8495 12.7948 12.7948 12.9447 12.9447 13.6159 13.6159 k =-0.2095 0.3615 0.4178 ( 2902 PWs) bands (ev): -30.4847 -30.4847 -11.8137 -11.8137 -11.4606 -11.4606 -11.4112 -11.4112 0.2047 0.2047 2.5808 2.5808 4.4481 4.4481 5.5119 5.5119 5.7957 5.7957 6.0712 6.0712 6.1838 6.1838 6.2541 6.2541 6.3528 6.3528 6.5372 6.5372 6.6454 6.6454 6.6596 6.6596 6.7522 6.7522 8.1169 8.1169 8.3749 8.3749 9.4454 9.4454 10.7531 10.7531 12.7862 12.7862 12.9674 12.9674 13.6456 13.6456 k =-0.2031 0.3505 0.4051 ( 2896 PWs) bands (ev): -30.4848 -30.4848 -11.8131 -11.8131 -11.4597 -11.4597 -11.4113 -11.4113 0.1546 0.1546 2.6370 2.6370 4.4661 4.4661 5.4906 5.4906 5.7857 5.7857 6.0974 6.0974 6.1936 6.1936 6.2562 6.2562 6.3443 6.3443 6.5519 6.5519 6.6600 6.6600 6.6759 6.6759 6.7636 6.7636 8.0487 8.0487 8.3647 8.3647 9.4771 9.4771 10.6580 10.6580 12.7799 12.7799 12.9719 12.9719 13.6811 13.6811 k =-0.1968 0.3396 0.3925 ( 2896 PWs) bands (ev): -30.4849 -30.4849 -11.8124 -11.8124 -11.4586 -11.4586 -11.4114 -11.4114 0.1035 0.1035 2.6911 2.6911 4.4834 4.4834 5.4708 5.4708 5.7763 5.7763 6.1184 6.1184 6.2050 6.2050 6.2611 6.2611 6.3390 6.3390 6.5682 6.5682 6.6759 6.6759 6.6928 6.6928 6.7760 6.7760 7.9821 7.9821 8.3589 8.3589 9.5099 9.5099 10.5641 10.5641 12.7758 12.7758 12.9579 12.9579 13.7242 13.7242 k =-0.1904 0.3286 0.3798 ( 2896 PWs) bands (ev): -30.4850 -30.4850 -11.8117 -11.8117 -11.4575 -11.4575 -11.4115 -11.4115 0.0519 0.0519 2.7428 2.7428 4.4991 4.4991 5.4532 5.4532 5.7673 5.7673 6.1303 6.1303 6.2206 6.2206 6.2671 6.2671 6.3401 6.3401 6.5861 6.5861 6.6929 6.6929 6.7103 6.7103 6.7896 6.7896 7.9172 7.9172 8.3577 8.3577 9.5437 9.5437 10.4716 10.4716 12.7740 12.7740 12.9272 12.9272 13.7749 13.7749 k =-0.1841 0.3177 0.3671 ( 2892 PWs) bands (ev): -30.4851 -30.4851 -11.8109 -11.8109 -11.4562 -11.4562 -11.4117 -11.4117 -0.0001 -0.0001 2.7920 2.7920 4.5124 4.5124 5.4384 5.4384 5.7590 5.7590 6.1335 6.1335 6.2358 6.2358 6.2759 6.2759 6.3503 6.3503 6.6057 6.6057 6.7109 6.7109 6.7284 6.7284 6.8041 6.8041 7.8540 7.8540 8.3613 8.3613 9.5785 9.5785 10.3805 10.3805 12.7742 12.7742 12.8826 12.8826 13.8316 13.8316 k =-0.1777 0.3067 0.3545 ( 2892 PWs) bands (ev): -30.4852 -30.4852 -11.8100 -11.8100 -11.4548 -11.4548 -11.4119 -11.4119 -0.0521 -0.0521 2.8386 2.8386 4.5227 4.5227 5.4271 5.4271 5.7514 5.7514 6.1309 6.1309 6.2409 6.2409 6.2925 6.2925 6.3703 6.3703 6.6270 6.6270 6.7300 6.7300 6.7473 6.7473 6.8196 6.8196 7.7925 7.7925 8.3698 8.3698 9.6144 9.6144 10.2908 10.2908 12.7764 12.7764 12.8274 12.8274 13.8926 13.8926 k =-0.1714 0.2958 0.3418 ( 2884 PWs) bands (ev): -30.4853 -30.4853 -11.8091 -11.8091 -11.4533 -11.4533 -11.4120 -11.4120 -0.1040 -0.1040 2.8825 2.8825 4.5293 4.5293 5.4198 5.4198 5.7443 5.7443 6.1251 6.1251 6.2385 6.2385 6.3129 6.3129 6.3986 6.3986 6.6503 6.6503 6.7497 6.7497 6.7682 6.7682 6.8360 6.8360 7.7326 7.7326 8.3834 8.3834 9.6513 9.6513 10.2026 10.2026 12.7628 12.7628 12.7818 12.7818 13.9562 13.9562 k =-0.1650 0.2848 0.3292 ( 2884 PWs) bands (ev): -30.4854 -30.4854 -11.8082 -11.8082 -11.4518 -11.4518 -11.4122 -11.4122 -0.1555 -0.1555 2.9235 2.9235 4.5319 4.5319 5.4165 5.4165 5.7379 5.7379 6.1173 6.1173 6.2338 6.2338 6.3327 6.3327 6.4318 6.4318 6.6755 6.6755 6.7692 6.7692 6.7925 6.7925 6.8532 6.8532 7.6745 7.6745 8.4022 8.4022 9.6891 9.6891 10.1159 10.1159 12.6939 12.6939 12.7873 12.7873 14.0207 14.0207 k =-0.1587 0.2739 0.3165 ( 2888 PWs) bands (ev): -30.4856 -30.4856 -11.8073 -11.8073 -11.4502 -11.4502 -11.4124 -11.4124 -0.2064 -0.2064 2.9617 2.9617 4.5302 4.5302 5.4174 5.4174 5.7320 5.7320 6.1081 6.1081 6.2290 6.2290 6.3511 6.3511 6.4665 6.4665 6.7019 6.7019 6.7879 6.7879 6.8224 6.8224 6.8711 6.8711 7.6182 7.6182 8.4263 8.4263 9.7279 9.7279 10.0308 10.0308 12.6202 12.6202 12.7950 12.7950 14.0852 14.0852 k =-0.1523 0.2629 0.3038 ( 2892 PWs) bands (ev): -30.4857 -30.4857 -11.8063 -11.8063 -11.4486 -11.4486 -11.4126 -11.4126 -0.2566 -0.2566 2.9969 2.9969 4.5244 4.5244 5.4222 5.4222 5.7268 5.7268 6.0977 6.0977 6.2251 6.2251 6.3685 6.3685 6.4999 6.4999 6.7287 6.7287 6.8057 6.8057 6.8596 6.8596 6.8901 6.8901 7.5637 7.5637 8.4560 8.4560 9.7675 9.7675 9.9474 9.9474 12.5436 12.5436 12.8044 12.8044 14.1488 14.1488 k =-0.1460 0.2519 0.2912 ( 2882 PWs) bands (ev): -30.4859 -30.4859 -11.8053 -11.8053 -11.4468 -11.4468 -11.4128 -11.4128 -0.3058 -0.3058 3.0294 3.0294 4.5148 4.5148 5.4307 5.4307 5.7222 5.7222 6.0865 6.0865 6.2227 6.2227 6.3851 6.3851 6.5303 6.5303 6.7543 6.7543 6.8231 6.8231 6.9011 6.9011 6.9145 6.9145 7.5113 7.5113 8.4914 8.4914 9.8073 9.8073 9.8663 9.8663 12.4650 12.4650 12.8153 12.8153 14.2106 14.2106 k =-0.1396 0.2410 0.2785 ( 2878 PWs) bands (ev): -30.4860 -30.4860 -11.8043 -11.8043 -11.4451 -11.4451 -11.4129 -11.4129 -0.3538 -0.3538 3.0589 3.0589 4.5017 4.5017 5.4421 5.4421 5.7183 5.7183 6.0745 6.0745 6.2218 6.2218 6.4012 6.4012 6.5572 6.5572 6.7780 6.7780 6.8399 6.8399 6.9260 6.9260 6.9652 6.9652 7.4614 7.4614 8.5325 8.5325 9.7839 9.7839 9.8508 9.8508 12.3852 12.3852 12.8274 12.8274 14.2702 14.2702 k =-0.1333 0.2300 0.2659 ( 2883 PWs) bands (ev): -30.4861 -30.4861 -11.8033 -11.8033 -11.4434 -11.4434 -11.4131 -11.4131 -0.4006 -0.4006 3.0857 3.0857 4.4858 4.4858 5.4559 5.4559 5.7149 5.7149 6.0620 6.0620 6.2225 6.2225 6.4165 6.4165 6.5806 6.5806 6.7995 6.7995 6.8562 6.8562 6.9466 6.9466 7.0280 7.0280 7.4147 7.4147 8.5794 8.5794 9.7061 9.7061 9.8922 9.8922 12.3048 12.3048 12.8406 12.8406 14.3271 14.3271 k =-0.1269 0.2191 0.2532 ( 2891 PWs) bands (ev): -30.4863 -30.4863 -11.8024 -11.8024 -11.4416 -11.4416 -11.4132 -11.4132 -0.4460 -0.4460 3.1099 3.1099 4.4675 4.4675 5.4714 5.4714 5.7122 5.7122 6.0492 6.0492 6.2247 6.2247 6.4313 6.4313 6.6009 6.6009 6.8189 6.8189 6.8719 6.8719 6.9676 6.9676 7.0954 7.0954 7.3736 7.3736 8.6321 8.6321 9.6296 9.6296 9.9346 9.9346 12.2241 12.2241 12.8545 12.8545 14.3810 14.3810 k =-0.1206 0.2081 0.2405 ( 2893 PWs) bands (ev): -30.4864 -30.4864 -11.8015 -11.8015 -11.4399 -11.4399 -11.4133 -11.4133 -0.4899 -0.4899 3.1315 3.1315 4.4475 4.4475 5.4882 5.4882 5.7101 5.7101 6.0361 6.0361 6.2285 6.2285 6.4454 6.4454 6.6186 6.6186 6.8363 6.8363 6.8870 6.8870 6.9890 6.9890 7.1582 7.1582 7.3457 7.3457 8.6906 8.6906 9.5549 9.5549 9.9776 9.9776 12.1434 12.1434 12.8689 12.8689 14.4316 14.4316 k =-0.1142 0.1972 0.2279 ( 2903 PWs) bands (ev): -30.4866 -30.4866 -11.8006 -11.8006 -11.4382 -11.4382 -11.4134 -11.4134 -0.5321 -0.5321 3.1508 3.1508 4.4263 4.4263 5.5057 5.5057 5.7086 5.7086 6.0230 6.0230 6.2338 6.2338 6.4589 6.4589 6.6343 6.6343 6.8518 6.8518 6.9011 6.9011 7.0108 7.0108 7.1916 7.1916 7.3549 7.3549 8.7548 8.7548 9.4821 9.4821 10.0209 10.0209 12.0629 12.0629 12.8835 12.8835 14.4785 14.4785 k =-0.1079 0.1862 0.2152 ( 2903 PWs) bands (ev): -30.4867 -30.4867 -11.7996 -11.7996 -11.4366 -11.4366 -11.4134 -11.4134 -0.5725 -0.5725 3.1678 3.1678 4.4043 4.4043 5.5234 5.5234 5.7078 5.7078 6.0100 6.0100 6.2406 6.2406 6.4717 6.4717 6.6482 6.6482 6.8656 6.8656 6.9142 6.9142 7.0328 7.0328 7.1820 7.1820 7.4145 7.4145 8.8244 8.8244 9.4114 9.4114 10.0643 10.0643 11.9828 11.9828 12.8977 12.8977 14.4617 14.4617 k =-0.1016 0.1753 0.2026 ( 2907 PWs) bands (ev): -30.4869 -30.4869 -11.7988 -11.7988 -11.4350 -11.4350 -11.4133 -11.4133 -0.6111 -0.6111 3.1828 3.1828 4.3820 4.3820 5.5408 5.5408 5.7076 5.7076 5.9970 5.9970 6.2486 6.2486 6.4839 6.4839 6.6606 6.6606 6.8773 6.8773 6.9262 6.9262 7.0535 7.0535 7.1559 7.1559 7.4984 7.4984 8.8993 8.8993 9.3428 9.3428 10.1077 10.1077 11.9029 11.9029 12.9109 12.9109 14.3303 14.3303 k =-0.0952 0.1643 0.1899 ( 2905 PWs) bands (ev): -30.4870 -30.4870 -11.7979 -11.7979 -11.4335 -11.4335 -11.4132 -11.4132 -0.6478 -0.6478 3.1959 3.1959 4.3597 4.3597 5.5578 5.5578 5.7081 5.7081 5.9844 5.9844 6.2581 6.2581 6.4954 6.4954 6.6718 6.6718 6.8867 6.8867 6.9369 6.9369 7.0675 7.0675 7.1336 7.1336 7.5917 7.5917 8.9793 8.9793 9.2765 9.2765 10.1508 10.1508 11.8233 11.8233 12.9224 12.9224 14.1993 14.1993 k =-0.0889 0.1534 0.1772 ( 2905 PWs) bands (ev): -30.4871 -30.4871 -11.7971 -11.7971 -11.4322 -11.4322 -11.4129 -11.4129 -0.6825 -0.6825 3.2072 3.2072 4.3378 4.3378 5.5738 5.5738 5.7092 5.7092 5.9720 5.9720 6.2687 6.2687 6.5061 6.5061 6.6819 6.6819 6.8927 6.8927 6.9464 6.9464 7.0614 7.0614 7.1330 7.1330 7.6894 7.6894 9.0639 9.0639 9.2126 9.2126 10.1935 10.1935 11.7439 11.7439 12.9310 12.9310 14.0709 14.0709 k =-0.0825 0.1424 0.1646 ( 2913 PWs) bands (ev): -30.4873 -30.4873 -11.7964 -11.7964 -11.4310 -11.4310 -11.4126 -11.4126 -0.7150 -0.7150 3.2169 3.2169 4.3164 4.3164 5.5887 5.5887 5.7110 5.7110 5.9599 5.9599 6.2806 6.2806 6.5160 6.5160 6.6910 6.6910 6.8939 6.8939 6.9547 6.9547 7.0415 7.0415 7.1508 7.1508 7.7895 7.7895 9.1484 9.1484 9.1558 9.1558 10.2354 10.2354 11.6645 11.6645 12.9354 12.9354 13.9473 13.9473 k =-0.0762 0.1314 0.1519 ( 2917 PWs) bands (ev): -30.4874 -30.4874 -11.7957 -11.7957 -11.4300 -11.4300 -11.4122 -11.4122 -0.7454 -0.7454 3.2253 3.2253 4.2960 4.2960 5.6024 5.6024 5.7135 5.7135 5.9482 5.9482 6.2936 6.2936 6.5252 6.5252 6.6992 6.6992 6.8880 6.8880 6.9619 6.9619 7.0230 7.0230 7.1740 7.1740 7.8906 7.8906 9.0924 9.0924 9.2461 9.2461 10.2763 10.2763 11.5848 11.5848 12.9335 12.9335 13.8313 13.8313 k =-0.0698 0.1205 0.1393 ( 2921 PWs) bands (ev): -30.4875 -30.4875 -11.7950 -11.7950 -11.4291 -11.4291 -11.4117 -11.4117 -0.7736 -0.7736 3.2323 3.2323 4.2766 4.2766 5.6147 5.6147 5.7167 5.7167 5.9371 5.9371 6.3077 6.3077 6.5335 6.5335 6.7065 6.7065 6.8739 6.8739 6.9684 6.9684 7.0111 7.0111 7.1986 7.1986 7.9914 7.9914 9.0368 9.0368 9.3427 9.3427 10.3158 10.3158 11.5047 11.5047 12.9229 12.9229 13.7263 13.7263 k =-0.0635 0.1095 0.1266 ( 2921 PWs) bands (ev): -30.4876 -30.4876 -11.7944 -11.7944 -11.4283 -11.4283 -11.4111 -11.4111 -0.7995 -0.7995 3.2383 3.2383 4.2584 4.2584 5.6256 5.6256 5.7205 5.7205 5.9266 5.9266 6.3229 6.3229 6.5410 6.5410 6.7131 6.7131 6.8526 6.8526 6.9743 6.9743 7.0058 7.0058 7.2234 7.2234 8.0909 8.0909 8.9842 8.9842 9.4424 9.4424 10.3537 10.3537 11.4238 11.4238 12.9010 12.9010 13.6360 13.6360 k =-0.0571 0.0986 0.1139 ( 2931 PWs) bands (ev): -30.4877 -30.4877 -11.7939 -11.7939 -11.4277 -11.4277 -11.4106 -11.4106 -0.8231 -0.8231 3.2432 3.2432 4.2416 4.2416 5.6351 5.6351 5.7247 5.7247 5.9166 5.9166 6.3391 6.3391 6.5475 6.5475 6.7188 6.7188 6.8268 6.8268 6.9799 6.9799 7.0043 7.0043 7.2478 7.2478 8.1877 8.1877 8.9351 8.9351 9.5447 9.5447 10.3897 10.3897 11.3417 11.3417 12.8659 12.8659 13.5633 13.5633 k =-0.0508 0.0876 0.1013 ( 2929 PWs) bands (ev): -30.4878 -30.4878 -11.7934 -11.7934 -11.4272 -11.4272 -11.4099 -11.4099 -0.8443 -0.8443 3.2473 3.2473 4.2262 4.2262 5.6433 5.6433 5.7293 5.7293 5.9074 5.9074 6.3563 6.3563 6.5529 6.5529 6.7237 6.7237 6.7993 6.7993 6.9851 6.9851 7.0049 7.0049 7.2714 7.2714 8.2806 8.2806 8.8898 8.8898 9.6492 9.6492 10.4232 10.4232 11.2583 11.2583 12.8177 12.8177 13.5093 13.5093 k =-0.0444 0.0767 0.0886 ( 2919 PWs) bands (ev): -30.4879 -30.4879 -11.7929 -11.7929 -11.4268 -11.4268 -11.4092 -11.4092 -0.8631 -0.8631 3.2507 3.2507 4.2125 4.2125 5.6502 5.6502 5.7341 5.7341 5.8989 5.8989 6.3744 6.3744 6.5572 6.5572 6.7274 6.7274 6.7720 6.7720 6.9900 6.9900 7.0063 7.0063 7.2937 7.2937 8.3682 8.3682 8.8485 8.8485 9.7553 9.7553 10.4540 10.4540 11.1731 11.1731 12.7593 12.7593 13.4724 13.4724 k =-0.0381 0.0657 0.0760 ( 2919 PWs) bands (ev): -30.4880 -30.4880 -11.7925 -11.7925 -11.4265 -11.4265 -11.4086 -11.4086 -0.8794 -0.8794 3.2534 3.2534 4.2004 4.2004 5.6559 5.6559 5.7387 5.7387 5.8912 5.8912 6.3934 6.3934 6.5601 6.5601 6.7273 6.7273 6.7484 6.7484 6.9943 6.9943 7.0080 7.0080 7.3142 7.3142 8.4489 8.4489 8.8117 8.8117 9.8625 9.8625 10.4817 10.4817 11.0860 11.0860 12.6955 12.6955 13.4491 13.4491 k =-0.0317 0.0548 0.0633 ( 2915 PWs) bands (ev): -30.4880 -30.4880 -11.7922 -11.7922 -11.4263 -11.4263 -11.4080 -11.4080 -0.8933 -0.8933 3.2556 3.2556 4.1901 4.1901 5.6606 5.6606 5.7430 5.7430 5.8845 5.8845 6.4132 6.4132 6.5611 6.5611 6.7124 6.7124 6.7407 6.7407 6.9980 6.9980 7.0096 7.0096 7.3325 7.3325 8.5210 8.5210 8.7798 8.7798 9.9702 9.9702 10.5059 10.5059 10.9968 10.9968 12.6319 12.6319 13.4355 13.4355 k =-0.0254 0.0438 0.0506 ( 2905 PWs) bands (ev): -30.4881 -30.4881 -11.7918 -11.7918 -11.4261 -11.4261 -11.4075 -11.4075 -0.9047 -0.9047 3.2573 3.2573 4.1816 4.1816 5.6644 5.6644 5.7469 5.7469 5.8788 5.8788 6.4335 6.4335 6.5597 6.5597 6.6909 6.6909 6.7415 6.7415 7.0012 7.0012 7.0110 7.0110 7.3484 7.3484 8.5828 8.5828 8.7533 8.7533 10.0779 10.0779 10.5262 10.5262 10.9053 10.9053 12.5732 12.5732 13.4282 13.4282 k =-0.0190 0.0329 0.0380 ( 2889 PWs) bands (ev): -30.4881 -30.4881 -11.7916 -11.7916 -11.4260 -11.4260 -11.4070 -11.4070 -0.9136 -0.9136 3.2586 3.2586 4.1749 4.1749 5.6673 5.6673 5.7501 5.7501 5.8743 5.8743 6.4544 6.4544 6.5550 6.5550 6.6720 6.6720 6.7431 6.7431 7.0038 7.0038 7.0121 7.0121 7.3610 7.3610 8.6322 8.6322 8.7329 8.7329 10.1847 10.1847 10.5424 10.5424 10.8118 10.8118 12.5235 12.5235 13.4247 13.4247 k =-0.0127 0.0219 0.0253 ( 2885 PWs) bands (ev): -30.4881 -30.4881 -11.7914 -11.7914 -11.4259 -11.4259 -11.4067 -11.4067 -0.9199 -0.9199 3.2594 3.2594 4.1701 4.1701 5.6693 5.6693 5.7525 5.7525 5.8709 5.8709 6.4752 6.4752 6.5461 6.5461 6.6578 6.6578 6.7443 6.7443 7.0055 7.0055 7.0130 7.0130 7.3704 7.3704 8.6668 8.6668 8.7200 8.7200 10.2894 10.2894 10.5541 10.5541 10.7169 10.7169 12.4858 12.4858 13.4233 13.4233 k =-0.0063 0.0110 0.0127 ( 2877 PWs) bands (ev): -30.4881 -30.4881 -11.7913 -11.7913 -11.4258 -11.4258 -11.4065 -11.4065 -0.9238 -0.9238 3.2599 3.2599 4.1672 4.1672 5.6705 5.6705 5.7540 5.7540 5.8690 5.8690 6.4955 6.4955 6.5330 6.5330 6.6494 6.6494 6.7451 6.7451 7.0066 7.0066 7.0135 7.0135 7.3761 7.3761 8.6834 8.6834 8.7169 8.7169 10.3885 10.3885 10.5612 10.5612 10.6238 10.6238 12.4624 12.4624 13.4228 13.4228 k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -30.4881 -30.4881 -11.7912 -11.7912 -11.4258 -11.4258 -11.4064 -11.4064 -0.9250 -0.9250 3.2601 3.2601 4.1663 4.1663 5.6709 5.6709 5.7544 5.7544 5.8684 5.8684 6.5109 6.5109 6.5199 6.5199 6.6466 6.6466 6.7454 6.7454 7.0071 7.0071 7.0137 7.0137 7.3780 7.3780 8.6865 8.6865 8.7183 8.7183 10.4507 10.4507 10.5627 10.5627 10.5646 10.5646 12.4544 12.4544 13.4228 13.4228 k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -30.4881 -30.4881 -11.7912 -11.7912 -11.4258 -11.4258 -11.4064 -11.4064 -0.9250 -0.9250 3.2601 3.2601 4.1663 4.1663 5.6709 5.6709 5.7544 5.7544 5.8684 5.8684 6.5109 6.5109 6.5199 6.5199 6.6466 6.6466 6.7454 6.7454 7.0071 7.0071 7.0137 7.0137 7.3780 7.3780 8.6865 8.6865 8.7183 8.7183 10.4507 10.4507 10.5627 10.5627 10.5646 10.5646 12.4544 12.4544 13.4228 13.4228 k = 0.0156 0.0091-0.0000 ( 2873 PWs) bands (ev): -30.4881 -30.4881 -11.7912 -11.7912 -11.4258 -11.4258 -11.4064 -11.4064 -0.9236 -0.9236 3.2480 3.2480 4.1760 4.1760 5.6710 5.6710 5.7546 5.7546 5.8684 5.8684 6.4982 6.4982 6.5298 6.5298 6.6464 6.6464 6.7449 6.7449 7.0071 7.0071 7.0199 7.0199 7.3781 7.3781 8.6847 8.6847 8.7165 8.7165 10.4499 10.4499 10.5669 10.5669 10.5687 10.5687 12.4582 12.4582 13.4118 13.4118 k = 0.0312 0.0181-0.0000 ( 2873 PWs) bands (ev): -30.4881 -30.4881 -11.7913 -11.7913 -11.4258 -11.4258 -11.4064 -11.4064 -0.9194 -0.9194 3.2132 3.2132 4.2037 4.2037 5.6715 5.6715 5.7551 5.7551 5.8685 5.8685 6.4795 6.4795 6.5402 6.5402 6.6458 6.6458 6.7434 6.7434 7.0071 7.0071 7.0383 7.0383 7.3783 7.3783 8.6796 8.6796 8.7109 8.7109 10.4476 10.4476 10.5793 10.5793 10.5811 10.5811 12.4698 12.4698 13.3811 13.3811 k = 0.0469 0.0272-0.0000 ( 2893 PWs) bands (ev): -30.4882 -30.4882 -11.7914 -11.7914 -11.4260 -11.4260 -11.4065 -11.4065 -0.9124 -0.9124 3.1597 3.1597 4.2453 4.2453 5.6722 5.6722 5.7560 5.7560 5.8685 5.8685 6.4587 6.4587 6.5479 6.5479 6.6444 6.6444 6.7408 6.7408 7.0070 7.0070 7.0679 7.0679 7.3787 7.3787 8.6711 8.6711 8.7018 8.7018 10.4438 10.4438 10.5998 10.5998 10.6014 10.6014 12.4890 12.4890 13.3358 13.3358 k = 0.0625 0.0362-0.0000 ( 2905 PWs) bands (ev): -30.4882 -30.4882 -11.7915 -11.7915 -11.4261 -11.4261 -11.4065 -11.4065 -0.9026 -0.9026 3.0919 3.0919 4.2964 4.2964 5.6733 5.6733 5.7572 5.7572 5.8685 5.8685 6.4368 6.4368 6.5535 6.5535 6.6429 6.6429 6.7374 6.7374 7.0068 7.0068 7.1078 7.1078 7.3794 7.3794 8.6597 8.6597 8.6894 8.6894 10.4388 10.4388 10.6280 10.6280 10.6294 10.6294 12.5157 12.5157 13.2810 13.2810 k = 0.0781 0.0453-0.0000 ( 2905 PWs) bands (ev): -30.4882 -30.4882 -11.7916 -11.7916 -11.4263 -11.4263 -11.4065 -11.4065 -0.8900 -0.8900 3.0135 3.0135 4.3532 4.3532 5.6746 5.6746 5.7587 5.7587 5.8688 5.8688 6.4143 6.4143 6.5571 6.5571 6.6411 6.6411 6.7330 6.7330 7.0068 7.0068 7.1568 7.1568 7.3806 7.3806 8.6456 8.6456 8.6742 8.6742 10.4327 10.4327 10.6635 10.6635 10.6647 10.6647 12.5497 12.5497 13.2207 13.2207 k = 0.0938 0.0543-0.0000 ( 2909 PWs) bands (ev): -30.4882 -30.4882 -11.7917 -11.7917 -11.4265 -11.4265 -11.4065 -11.4065 -0.8746 -0.8746 2.9276 2.9276 4.4128 4.4128 5.6761 5.6761 5.7606 5.7606 5.8691 5.8691 6.3917 6.3917 6.5592 6.5592 6.6388 6.6388 6.7276 6.7276 7.0068 7.0068 7.2133 7.2133 7.3830 7.3830 8.6293 8.6293 8.6565 8.6565 10.4256 10.4256 10.7058 10.7058 10.7071 10.7071 12.5908 12.5908 13.1576 13.1576 k = 0.1094 0.0634-0.0000 ( 2916 PWs) bands (ev): -30.4882 -30.4882 -11.7918 -11.7918 -11.4267 -11.4267 -11.4066 -11.4066 -0.8565 -0.8565 2.8362 2.8362 4.4728 4.4728 5.6779 5.6779 5.7626 5.7626 5.8694 5.8694 6.3695 6.3695 6.5601 6.5601 6.6362 6.6362 6.7215 6.7215 7.0067 7.0067 7.2746 7.2746 7.3887 7.3887 8.6110 8.6110 8.6367 8.6367 10.4177 10.4177 10.7543 10.7543 10.7560 10.7560 12.6387 12.6387 13.0935 13.0935 k = 0.1250 0.0724-0.0000 ( 2920 PWs) bands (ev): -30.4882 -30.4882 -11.7919 -11.7919 -11.4269 -11.4269 -11.4066 -11.4066 -0.8356 -0.8356 2.7409 2.7409 4.5318 4.5318 5.6799 5.6799 5.7651 5.7651 5.8698 5.8698 6.3479 6.3479 6.5599 6.5599 6.6332 6.6332 6.7147 6.7147 7.0066 7.0066 7.3298 7.3298 7.4079 7.4079 8.5912 8.5912 8.6154 8.6154 10.4091 10.4091 10.8087 10.8087 10.8111 10.8111 12.6931 12.6931 13.0295 13.0295 k = 0.1406 0.0815-0.0000 ( 2920 PWs) bands (ev): -30.4882 -30.4882 -11.7920 -11.7920 -11.4271 -11.4271 -11.4066 -11.4066 -0.8120 -0.8120 2.6429 2.6429 4.5886 4.5886 5.6823 5.6823 5.7679 5.7679 5.8703 5.8703 6.3271 6.3271 6.5590 6.5590 6.6297 6.6297 6.7073 6.7073 7.0066 7.0066 7.3566 7.3566 7.4626 7.4626 8.5703 8.5703 8.5928 8.5928 10.4001 10.4001 10.8686 10.8686 10.8717 10.8717 12.7539 12.7539 12.9666 12.9666 k = 0.1562 0.0905-0.0000 ( 2928 PWs) bands (ev): -30.4882 -30.4882 -11.7922 -11.7922 -11.4274 -11.4274 -11.4067 -11.4067 -0.7857 -0.7857 2.5430 2.5430 4.6425 4.6425 5.6849 5.6849 5.7710 5.7710 5.8707 5.8707 6.3073 6.3073 6.5574 6.5574 6.6259 6.6259 6.6993 6.6993 7.0062 7.0062 7.3645 7.3645 7.5429 7.5429 8.5488 8.5488 8.5695 8.5695 10.3907 10.3907 10.9335 10.9335 10.9373 10.9373 12.8207 12.8207 12.9053 12.9053 k = 0.1719 0.0996-0.0000 ( 2924 PWs) bands (ev): -30.4881 -30.4881 -11.7923 -11.7923 -11.4276 -11.4276 -11.4067 -11.4067 -0.7567 -0.7567 2.4418 2.4418 4.6931 4.6931 5.6878 5.6878 5.7745 5.7745 5.8713 5.8713 6.2886 6.2886 6.5552 6.5552 6.6219 6.6219 6.6909 6.6909 7.0061 7.0061 7.3674 7.3674 7.6343 7.6343 8.5268 8.5268 8.5458 8.5458 10.3812 10.3812 11.0030 11.0030 11.0077 11.0077 12.8459 12.8459 12.8932 12.8932 k = 0.1875 0.1086-0.0000 ( 2924 PWs) bands (ev): -30.4881 -30.4881 -11.7924 -11.7924 -11.4279 -11.4279 -11.4067 -11.4067 -0.7250 -0.7250 2.3399 2.3399 4.7399 4.7399 5.6908 5.6908 5.7781 5.7781 5.8718 5.8718 6.2711 6.2711 6.5526 6.5526 6.6174 6.6174 6.6820 6.6820 7.0060 7.0060 7.3689 7.3689 7.7332 7.7332 8.5047 8.5047 8.5219 8.5219 10.3715 10.3715 11.0767 11.0767 11.0821 11.0821 12.7889 12.7889 12.9711 12.9711 k = 0.2031 0.1177-0.0000 ( 2928 PWs) bands (ev): -30.4881 -30.4881 -11.7926 -11.7926 -11.4282 -11.4282 -11.4067 -11.4067 -0.6906 -0.6906 2.2375 2.2375 4.7828 4.7828 5.6940 5.6940 5.7820 5.7820 5.8724 5.8724 6.2547 6.2547 6.5494 6.5494 6.6126 6.6126 6.6729 6.6729 7.0059 7.0059 7.3698 7.3698 7.8383 7.8383 8.4828 8.4828 8.4982 8.4982 10.3620 10.3620 11.1543 11.1543 11.1604 11.1604 12.7342 12.7342 13.0542 13.0542 k = 0.2188 0.1267-0.0000 ( 2928 PWs) bands (ev): -30.4881 -30.4881 -11.7928 -11.7928 -11.4285 -11.4285 -11.4067 -11.4067 -0.6537 -0.6537 2.1350 2.1350 4.8218 4.8218 5.6974 5.6974 5.7861 5.7861 5.8729 5.8729 6.2395 6.2395 6.5460 6.5460 6.6075 6.6075 6.6636 6.6636 7.0057 7.0057 7.3704 7.3704 7.9489 7.9489 8.4613 8.4613 8.4750 8.4750 10.3526 10.3526 11.2353 11.2353 11.2421 11.2421 12.6823 12.6823 13.1423 13.1423 k = 0.2344 0.1358-0.0000 ( 2936 PWs) bands (ev): -30.4881 -30.4881 -11.7930 -11.7930 -11.4288 -11.4288 -11.4068 -11.4068 -0.6142 -0.6142 2.0328 2.0328 4.8567 4.8567 5.7008 5.7008 5.7904 5.7904 5.8735 5.8735 6.2255 6.2255 6.5422 6.5422 6.6022 6.6022 6.6543 6.6543 7.0056 7.0056 7.3706 7.3706 8.0644 8.0644 8.4404 8.4404 8.4524 8.4524 10.3434 10.3434 11.3193 11.3193 11.3267 11.3267 12.6330 12.6330 13.2349 13.2349 k = 0.2500 0.1449-0.0000 ( 2924 PWs) bands (ev): -30.4881 -30.4881 -11.7931 -11.7931 -11.4290 -11.4290 -11.4068 -11.4068 -0.5721 -0.5721 1.9310 1.9310 4.8880 4.8880 5.7044 5.7044 5.7948 5.7948 5.8742 5.8742 6.2127 6.2127 6.5384 6.5384 6.5969 6.5969 6.6449 6.6449 7.0055 7.0055 7.3708 7.3708 8.1840 8.1840 8.4203 8.4203 8.4307 8.4307 10.3345 10.3345 11.4061 11.4061 11.4140 11.4140 12.5866 12.5866 13.3320 13.3320 k = 0.2656 0.1539-0.0000 ( 2916 PWs) bands (ev): -30.4881 -30.4881 -11.7932 -11.7932 -11.4293 -11.4293 -11.4068 -11.4068 -0.5276 -0.5276 1.8298 1.8298 4.9157 4.9157 5.7081 5.7081 5.7994 5.7994 5.8748 5.8748 6.2011 6.2011 6.5342 6.5342 6.5913 6.5913 6.6357 6.6357 7.0054 7.0054 7.3710 7.3710 8.3068 8.3068 8.4010 8.4010 8.4105 8.4105 10.3261 10.3261 11.4952 11.4952 11.5036 11.5036 12.5430 12.5430 13.4331 13.4331 k = 0.2812 0.1630-0.0000 ( 2916 PWs) bands (ev): -30.4881 -30.4881 -11.7934 -11.7934 -11.4296 -11.4296 -11.4068 -11.4068 -0.4806 -0.4806 1.7293 1.7293 4.9400 4.9400 5.7117 5.7117 5.8041 5.8041 5.8753 5.8753 6.1905 6.1905 6.5299 6.5299 6.5855 6.5855 6.6265 6.6265 7.0052 7.0052 7.3712 7.3712 8.3828 8.3828 8.3865 8.3865 8.4374 8.4374 10.3180 10.3180 11.5861 11.5861 11.5949 11.5949 12.5023 12.5023 13.5381 13.5381 k = 0.2969 0.1720-0.0000 ( 2916 PWs) bands (ev): -30.4881 -30.4881 -11.7935 -11.7935 -11.4299 -11.4299 -11.4068 -11.4068 -0.4311 -0.4311 1.6299 1.6299 4.9611 4.9611 5.7154 5.7154 5.8088 5.8088 5.8759 5.8759 6.1810 6.1810 6.5254 6.5254 6.5798 6.5798 6.6175 6.6175 7.0050 7.0050 7.3713 7.3713 8.3656 8.3656 8.3699 8.3699 8.5642 8.5642 10.3104 10.3104 11.6785 11.6785 11.6875 11.6875 12.4646 12.4646 13.6151 13.6151 k = 0.3125 0.1811-0.0000 ( 2908 PWs) bands (ev): -30.4881 -30.4881 -11.7937 -11.7937 -11.4301 -11.4301 -11.4068 -11.4068 -0.3794 -0.3794 1.5315 1.5315 4.9795 4.9795 5.7191 5.7191 5.8135 5.8135 5.8764 5.8764 6.1725 6.1725 6.5210 6.5210 6.5742 6.5742 6.6089 6.6089 7.0049 7.0049 7.3714 7.3714 8.3496 8.3496 8.3527 8.3527 8.6941 8.6941 10.3034 10.3034 11.7718 11.7718 11.7810 11.7810 12.4299 12.4299 13.6135 13.6135 k = 0.3281 0.1901-0.0000 ( 2908 PWs) bands (ev): -30.4881 -30.4881 -11.7938 -11.7938 -11.4304 -11.4304 -11.4068 -11.4068 -0.3253 -0.3253 1.4344 1.4344 4.9951 4.9951 5.7226 5.7226 5.8181 5.8181 5.8769 5.8769 6.1650 6.1650 6.5166 6.5166 6.5687 6.5687 6.6006 6.6006 7.0047 7.0047 7.3715 7.3715 8.3348 8.3348 8.3367 8.3367 8.8246 8.8246 10.2968 10.2968 11.8655 11.8655 11.8747 11.8747 12.3981 12.3981 13.6118 13.6118 k = 0.3438 0.1992-0.0000 ( 2904 PWs) bands (ev): -30.4881 -30.4881 -11.7939 -11.7939 -11.4306 -11.4306 -11.4068 -11.4068 -0.2690 -0.2690 1.3386 1.3386 5.0084 5.0084 5.7260 5.7260 5.8226 5.8226 5.8774 5.8774 6.1584 6.1584 6.5123 6.5123 6.5634 6.5634 6.5927 6.5927 7.0045 7.0045 7.3716 7.3716 8.3210 8.3210 8.3221 8.3221 8.9547 8.9547 10.2908 10.2908 11.9588 11.9588 11.9678 11.9678 12.3694 12.3694 13.6101 13.6101 k = 0.3594 0.2082-0.0000 ( 2896 PWs) bands (ev): -30.4880 -30.4880 -11.7940 -11.7940 -11.4308 -11.4308 -11.4068 -11.4068 -0.2106 -0.2106 1.2443 1.2443 5.0196 5.0196 5.7294 5.7294 5.8270 5.8270 5.8779 5.8779 6.1525 6.1525 6.5082 6.5082 6.5585 6.5585 6.5853 6.5853 7.0044 7.0044 7.3716 7.3716 8.3080 8.3080 8.3095 8.3095 9.0827 9.0827 10.2853 10.2853 12.0510 12.0510 12.0596 12.0596 12.3439 12.3439 13.6086 13.6086 k = 0.3750 0.2173-0.0000 ( 2892 PWs) bands (ev): -30.4880 -30.4880 -11.7942 -11.7942 -11.4310 -11.4310 -11.4068 -11.4068 -0.1502 -0.1502 1.1518 1.1518 5.0289 5.0289 5.7325 5.7325 5.8311 5.8311 5.8783 5.8783 6.1474 6.1474 6.5044 6.5044 6.5540 6.5540 6.5784 6.5784 7.0042 7.0042 7.3716 7.3716 8.2960 8.2960 8.2984 8.2984 9.2073 9.2073 10.2804 10.2804 12.1410 12.1410 12.1486 12.1486 12.3218 12.3218 13.6072 13.6072 k = 0.3906 0.2263-0.0000 ( 2892 PWs) bands (ev): -30.4880 -30.4880 -11.7943 -11.7943 -11.4312 -11.4312 -11.4068 -11.4068 -0.0880 -0.0880 1.0611 1.0611 5.0365 5.0365 5.7353 5.7353 5.8349 5.8349 5.8787 5.8787 6.1430 6.1430 6.5007 6.5007 6.5498 6.5498 6.5721 6.5721 7.0041 7.0041 7.3717 7.3717 8.2854 8.2854 8.2887 8.2887 9.3266 9.3266 10.2760 10.2760 12.2277 12.2277 12.2316 12.2316 12.3053 12.3053 13.6059 13.6059 k = 0.4062 0.2354-0.0000 ( 2892 PWs) bands (ev): -30.4880 -30.4880 -11.7944 -11.7944 -11.4314 -11.4314 -11.4068 -11.4068 -0.0243 -0.0243 0.9726 0.9726 5.0427 5.0427 5.7378 5.7378 5.8383 5.8383 5.8790 5.8790 6.1393 6.1393 6.4975 6.4975 6.5462 6.5462 6.5665 6.5665 7.0040 7.0040 7.3717 7.3717 8.2761 8.2761 8.2803 8.2803 9.4385 9.4385 10.2723 10.2723 12.2735 12.2735 12.3096 12.3096 12.3276 12.3276 13.6048 13.6048 k = 0.4219 0.2444-0.0000 ( 2896 PWs) bands (ev): -30.4880 -30.4880 -11.7945 -11.7945 -11.4316 -11.4316 -11.4068 -11.4068 0.0406 0.0406 0.8867 0.8867 5.0477 5.0477 5.7400 5.7400 5.8413 5.8413 5.8793 5.8793 6.1361 6.1361 6.4946 6.4946 6.5431 6.5431 6.5613 6.5613 7.0038 7.0038 7.3718 7.3718 8.2683 8.2683 8.2733 8.2733 9.5405 9.5405 10.2691 10.2691 12.2650 12.2650 12.3848 12.3848 12.3967 12.3967 13.5278 13.5278 k = 0.4375 0.2535-0.0000 ( 2896 PWs) bands (ev): -30.4880 -30.4880 -11.7945 -11.7945 -11.4317 -11.4317 -11.4068 -11.4068 0.1060 0.1060 0.8042 0.8042 5.0515 5.0515 5.7418 5.7418 5.8438 5.8438 5.8795 5.8795 6.1336 6.1336 6.4922 6.4922 6.5406 6.5406 6.5571 6.5571 7.0037 7.0037 7.3718 7.3718 8.2619 8.2619 8.2675 8.2675 9.6299 9.6299 10.2664 10.2664 12.2549 12.2549 12.4512 12.4512 12.4616 12.4616 13.4128 13.4128 k = 0.4531 0.2626-0.0000 ( 2908 PWs) bands (ev): -30.4880 -30.4880 -11.7946 -11.7946 -11.4319 -11.4319 -11.4068 -11.4068 0.1703 0.1703 0.7265 0.7265 5.0543 5.0543 5.7431 5.7431 5.8457 5.8457 5.8797 5.8797 6.1317 6.1317 6.4902 6.4902 6.5387 6.5387 6.5536 6.5536 7.0036 7.0036 7.3718 7.3718 8.2569 8.2569 8.2630 8.2630 9.7037 9.7037 10.2644 10.2644 12.2468 12.2468 12.5066 12.5066 12.5160 12.5160 13.3185 13.3185 k = 0.4688 0.2716-0.0000 ( 2908 PWs) bands (ev): -30.4880 -30.4880 -11.7947 -11.7947 -11.4320 -11.4320 -11.4068 -11.4068 0.2305 0.2305 0.6567 0.6567 5.0563 5.0563 5.7442 5.7442 5.8471 5.8471 5.8798 5.8798 6.1303 6.1303 6.4888 6.4888 6.5373 6.5373 6.5511 6.5511 7.0036 7.0036 7.3718 7.3718 8.2534 8.2534 8.2598 8.2598 9.7591 9.7591 10.2629 10.2629 12.2411 12.2411 12.5484 12.5484 12.5573 12.5573 13.2481 13.2481 k = 0.4844 0.2807-0.0000 ( 2912 PWs) bands (ev): -30.4880 -30.4880 -11.7947 -11.7947 -11.4320 -11.4320 -11.4068 -11.4068 0.2788 0.2788 0.6027 0.6027 5.0574 5.0574 5.7448 5.7448 5.8480 5.8480 5.8799 5.8799 6.1295 6.1295 6.4880 6.4880 6.5365 6.5365 6.5494 6.5494 7.0036 7.0036 7.3718 7.3718 8.2512 8.2512 8.2579 8.2579 9.7935 9.7935 10.2621 10.2621 12.2377 12.2377 12.5746 12.5746 12.5831 12.5831 13.2045 13.2045 k = 0.5000 0.2897-0.0000 ( 2908 PWs) bands (ev): -30.4880 -30.4880 -11.7947 -11.7947 -11.4320 -11.4320 -11.4068 -11.4068 0.2989 0.2989 0.5807 0.5807 5.0578 5.0578 5.7450 5.7450 5.8483 5.8483 5.8799 5.8799 6.1295 6.1295 6.4877 6.4877 6.5363 6.5363 6.5489 6.5489 7.0035 7.0035 7.3718 7.3718 8.2505 8.2505 8.2573 8.2573 9.8051 9.8051 10.2618 10.2618 12.2366 12.2366 12.5835 12.5835 12.5918 12.5918 13.1898 13.1898 k = 0.5000 0.2897-0.0000 ( 2908 PWs) bands (ev): -30.4880 -30.4880 -11.7947 -11.7947 -11.4320 -11.4320 -11.4068 -11.4068 0.2989 0.2989 0.5807 0.5807 5.0578 5.0578 5.7450 5.7450 5.8483 5.8483 5.8799 5.8799 6.1295 6.1295 6.4877 6.4877 6.5363 6.5363 6.5489 6.5489 7.0035 7.0035 7.3718 7.3718 8.2505 8.2505 8.2573 8.2573 9.8051 9.8051 10.2618 10.2618 12.2366 12.2366 12.5835 12.5835 12.5918 12.5918 13.1898 13.1898 k = 0.4937 0.3006 0.0126 ( 2912 PWs) bands (ev): -30.4880 -30.4880 -11.7947 -11.7947 -11.4320 -11.4320 -11.4069 -11.4069 0.2997 0.2997 0.5818 0.5818 5.0582 5.0582 5.7450 5.7450 5.8480 5.8480 5.8806 5.8806 6.1296 6.1296 6.4859 6.4859 6.5306 6.5306 6.5545 6.5545 7.0031 7.0031 7.3697 7.3697 8.2424 8.2424 8.2572 8.2572 9.8063 9.8063 10.2699 10.2699 12.2404 12.2404 12.5718 12.5718 12.5894 12.5894 13.1977 13.1977 k = 0.4874 0.3115 0.0251 ( 2906 PWs) bands (ev): -30.4880 -30.4880 -11.7948 -11.7948 -11.4321 -11.4321 -11.4070 -11.4070 0.3021 0.3021 0.5854 0.5854 5.0594 5.0594 5.7449 5.7449 5.8473 5.8473 5.8827 5.8827 6.1303 6.1303 6.4805 6.4805 6.5219 6.5219 6.5635 6.5635 7.0020 7.0020 7.3638 7.3638 8.2119 8.2119 8.2637 8.2637 9.8094 9.8094 10.2939 10.2939 12.2518 12.2518 12.5304 12.5304 12.5906 12.5906 13.2192 13.2192 k = 0.4811 0.3224 0.0377 ( 2906 PWs) bands (ev): -30.4880 -30.4880 -11.7949 -11.7949 -11.4321 -11.4321 -11.4073 -11.4073 0.3061 0.3061 0.5913 0.5913 5.0613 5.0613 5.7447 5.7447 5.8462 5.8462 5.8860 5.8860 6.1312 6.1312 6.4711 6.4711 6.5138 6.5138 6.5723 6.5723 6.9999 6.9999 7.3540 7.3540 8.1627 8.1627 8.2752 8.2752 9.8139 9.8139 10.3321 10.3321 12.2704 12.2704 12.4668 12.4668 12.5938 12.5938 13.2496 13.2496 k = 0.4748 0.3332 0.0503 ( 2902 PWs) bands (ev): -30.4879 -30.4879 -11.7951 -11.7951 -11.4322 -11.4322 -11.4077 -11.4077 0.3116 0.3116 0.5995 0.5995 5.0642 5.0642 5.7446 5.7446 5.8449 5.8449 5.8903 5.8903 6.1327 6.1327 6.4579 6.4579 6.5063 6.5063 6.5806 6.5806 6.9969 6.9969 7.3409 7.3409 8.0982 8.0982 8.2908 8.2908 9.8189 9.8189 10.3822 10.3822 12.2953 12.2953 12.3879 12.3879 12.5983 12.5983 13.2844 13.2844 k = 0.4685 0.3441 0.0629 ( 2900 PWs) bands (ev): -30.4879 -30.4879 -11.7953 -11.7953 -11.4323 -11.4323 -11.4082 -11.4082 0.3187 0.3187 0.6101 0.6101 5.0676 5.0676 5.7443 5.7443 5.8436 5.8436 5.8955 5.8955 6.1344 6.1344 6.4413 6.4413 6.4993 6.4993 6.5881 6.5881 6.9931 6.9931 7.3249 7.3249 8.0217 8.0217 8.3102 8.3102 9.8239 9.8239 10.4414 10.4414 12.2891 12.2891 12.3350 12.3350 12.6042 12.6042 13.3208 13.3208 k = 0.4622 0.3550 0.0754 ( 2900 PWs) bands (ev): -30.4878 -30.4878 -11.7956 -11.7956 -11.4324 -11.4324 -11.4087 -11.4087 0.3272 0.3272 0.6230 0.6230 5.0715 5.0715 5.7441 5.7441 5.8424 5.8424 5.9014 5.9014 6.1364 6.1364 6.4219 6.4219 6.4920 6.4920 6.5949 6.5949 6.9883 6.9883 7.3064 7.3064 7.9365 7.9365 8.3327 8.3327 9.8283 9.8283 10.5068 10.5068 12.1925 12.1925 12.3696 12.3696 12.6113 12.6113 13.3571 13.3571 k = 0.4559 0.3659 0.0880 ( 2892 PWs) bands (ev): -30.4878 -30.4878 -11.7959 -11.7959 -11.4326 -11.4326 -11.4093 -11.4093 0.3372 0.3372 0.6382 0.6382 5.0760 5.0760 5.7439 5.7439 5.8414 5.8414 5.9081 5.9081 6.1387 6.1387 6.3997 6.3997 6.4842 6.4842 6.6008 6.6008 6.9828 6.9828 7.2857 7.2857 7.8455 7.8455 8.3580 8.3580 9.8319 9.8319 10.5758 10.5758 12.0863 12.0863 12.4116 12.4116 12.6197 12.6197 13.3709 13.3709 k = 0.4496 0.3768 0.1006 ( 2892 PWs) bands (ev): -30.4877 -30.4877 -11.7963 -11.7963 -11.4329 -11.4329 -11.4100 -11.4100 0.3485 0.3485 0.6558 0.6558 5.0808 5.0808 5.7436 5.7436 5.8405 5.8405 5.9154 5.9154 6.1409 6.1409 6.3749 6.3749 6.4758 6.4758 6.6059 6.6059 6.9764 6.9764 7.2635 7.2635 7.7514 7.7514 8.3854 8.3854 9.8343 9.8343 10.6462 10.6462 11.9751 11.9751 12.4560 12.4560 12.6293 12.6293 13.3265 13.3265 k = 0.4433 0.3876 0.1132 ( 2892 PWs) bands (ev): -30.4876 -30.4876 -11.7968 -11.7968 -11.4332 -11.4332 -11.4107 -11.4107 0.3612 0.3612 0.6756 0.6756 5.0859 5.0859 5.7433 5.7433 5.8400 5.8400 5.9232 5.9232 6.1429 6.1429 6.3475 6.3475 6.4667 6.4667 6.6101 6.6101 6.9690 6.9690 7.2400 7.2400 7.6564 7.6564 8.4147 8.4147 9.8352 9.8352 10.7164 10.7164 11.8604 11.8604 12.4997 12.4997 12.6400 12.6400 13.2834 13.2834 k = 0.4370 0.3985 0.1257 ( 2896 PWs) bands (ev): -30.4875 -30.4875 -11.7973 -11.7973 -11.4336 -11.4336 -11.4114 -11.4114 0.3750 0.3750 0.6977 0.6977 5.0909 5.0909 5.7429 5.7429 5.8396 5.8396 5.9314 5.9314 6.1444 6.1444 6.3175 6.3175 6.4569 6.4569 6.6135 6.6135 6.9607 6.9607 7.2156 7.2156 7.5626 7.5626 8.4453 8.4453 9.8343 9.8343 10.7850 10.7850 11.7432 11.7432 12.5387 12.5387 12.6518 12.6518 13.2427 13.2427 k = 0.4307 0.4094 0.1383 ( 2900 PWs) bands (ev): -30.4874 -30.4874 -11.7978 -11.7978 -11.4342 -11.4342 -11.4121 -11.4121 0.3900 0.3900 0.7221 0.7221 5.0958 5.0958 5.7427 5.7427 5.8397 5.8397 5.9400 5.9400 6.1445 6.1445 6.2855 6.2855 6.4465 6.4465 6.6159 6.6159 6.9515 6.9515 7.1906 7.1906 7.4716 7.4716 8.4769 8.4769 9.8312 9.8312 10.8512 10.8512 11.6243 11.6243 12.5687 12.5687 12.6644 12.6644 13.2051 13.2051 k = 0.4244 0.4203 0.1509 ( 2896 PWs) bands (ev): -30.4873 -30.4873 -11.7984 -11.7984 -11.4348 -11.4348 -11.4127 -11.4127 0.4060 0.4060 0.7488 0.7488 5.1001 5.1001 5.7425 5.7425 5.8402 5.8402 5.9488 5.9488 6.1419 6.1419 6.2530 6.2530 6.4355 6.4355 6.6175 6.6175 6.9413 6.9413 7.1653 7.1653 7.3849 7.3849 8.5092 8.5092 9.8253 9.8253 10.9146 10.9146 11.5042 11.5042 12.5862 12.5862 12.6778 12.6778 13.1712 13.1712 k = 0.4180 0.4312 0.1635 ( 2898 PWs) bands (ev): -30.4872 -30.4872 -11.7990 -11.7990 -11.4356 -11.4356 -11.4133 -11.4133 0.4229 0.4229 0.7776 0.7776 5.1034 5.1034 5.7423 5.7423 5.8410 5.8410 5.9573 5.9573 6.1329 6.1329 6.2239 6.2239 6.4240 6.4240 6.6183 6.6183 6.9302 6.9302 7.1397 7.1397 7.3039 7.3039 8.5419 8.5419 9.8162 9.8162 10.9751 10.9751 11.3835 11.3835 12.5900 12.5900 12.6918 12.6918 13.1411 13.1411 k = 0.4117 0.4420 0.1760 ( 2894 PWs) bands (ev): -30.4870 -30.4870 -11.7997 -11.7997 -11.4365 -11.4365 -11.4138 -11.4138 0.4405 0.4405 0.8087 0.8087 5.1054 5.1054 5.7422 5.7422 5.8422 5.8422 5.9646 5.9646 6.1129 6.1129 6.2039 6.2039 6.4122 6.4122 6.6182 6.6182 6.9179 6.9179 7.1141 7.1141 7.2294 7.2294 8.5748 8.5748 9.8034 9.8034 11.0326 11.0326 11.2626 11.2626 12.5824 12.5824 12.7064 12.7064 13.1153 13.1153 k = 0.4054 0.4529 0.1886 ( 2896 PWs) bands (ev): -30.4869 -30.4869 -11.8004 -11.8004 -11.4376 -11.4376 -11.4142 -11.4142 0.4588 0.4588 0.8419 0.8419 5.1053 5.1053 5.7421 5.7421 5.8436 5.8436 5.9685 5.9685 6.0836 6.0836 6.1941 6.1941 6.4002 6.4002 6.6173 6.6173 6.9047 6.9047 7.0886 7.0886 7.1620 7.1620 8.6076 8.6076 9.7865 9.7865 11.0872 11.0872 11.1420 11.1420 12.5677 12.5677 12.7215 12.7215 13.0938 13.0938 k = 0.3991 0.4638 0.2012 ( 2890 PWs) bands (ev): -30.4868 -30.4868 -11.8011 -11.8011 -11.4387 -11.4387 -11.4145 -11.4145 0.4775 0.4775 0.8773 0.8773 5.1025 5.1025 5.7420 5.7420 5.8450 5.8450 5.9632 5.9632 6.0566 6.0566 6.1901 6.1901 6.3883 6.3883 6.6156 6.6156 6.8901 6.8901 7.0635 7.0635 7.1021 7.1021 8.6403 8.6403 9.7649 9.7649 11.0213 11.0213 11.1400 11.1400 12.5507 12.5507 12.7366 12.7366 13.0770 13.0770 k = 0.3928 0.4747 0.2138 ( 2890 PWs) bands (ev): -30.4866 -30.4866 -11.8019 -11.8019 -11.4400 -11.4400 -11.4147 -11.4147 0.4965 0.4965 0.9148 0.9148 5.0961 5.0961 5.7420 5.7420 5.8454 5.8454 5.9416 5.9416 6.0445 6.0445 6.1882 6.1882 6.3768 6.3768 6.6131 6.6131 6.8743 6.8743 7.0385 7.0385 7.0496 7.0496 8.6726 8.6726 9.7383 9.7383 10.9016 10.9016 11.1906 11.1906 12.5352 12.5352 12.7513 12.7513 13.0649 13.0649 k = 0.3865 0.4855 0.2263 ( 2892 PWs) bands (ev): -30.4865 -30.4865 -11.8027 -11.8027 -11.4413 -11.4413 -11.4148 -11.4148 0.5156 0.5156 0.9543 0.9543 5.0851 5.0851 5.7419 5.7419 5.8421 5.8421 5.9111 5.9111 6.0460 6.0460 6.1868 6.1868 6.3659 6.3659 6.6099 6.6099 6.8571 6.8571 7.0036 7.0036 7.0143 7.0143 8.7043 8.7043 9.7067 9.7067 10.7828 10.7828 11.2399 11.2399 12.5240 12.5240 12.7650 12.7650 13.0576 13.0576 k = 0.3802 0.4964 0.2389 ( 2894 PWs) bands (ev): -30.4864 -30.4864 -11.8035 -11.8035 -11.4428 -11.4428 -11.4148 -11.4148 0.5346 0.5346 0.9959 0.9959 5.0684 5.0684 5.7417 5.7417 5.8276 5.8276 5.8891 5.8891 6.0537 6.0537 6.1849 6.1849 6.3560 6.3560 6.6061 6.6061 6.8386 6.8386 6.9645 6.9645 6.9902 6.9902 8.7355 8.7355 9.6699 9.6699 10.6649 10.6649 11.2885 11.2885 12.5186 12.5186 12.7768 12.7768 13.0554 13.0554 k = 0.3739 0.5073 0.2515 ( 2892 PWs) bands (ev): -30.4862 -30.4862 -11.8043 -11.8043 -11.4443 -11.4443 -11.4148 -11.4148 0.5532 0.5532 1.0395 1.0395 5.0454 5.0454 5.7410 5.7410 5.8008 5.8008 5.8829 5.8829 6.0638 6.0638 6.1822 6.1822 6.3473 6.3473 6.6018 6.6018 6.8190 6.8190 6.9310 6.9310 6.9665 6.9665 8.7661 8.7661 9.6281 9.6281 10.5482 10.5482 11.3371 11.3371 12.5201 12.5201 12.7856 12.7856 13.0581 13.0581 k = 0.3676 0.5182 0.2641 ( 2888 PWs) bands (ev): -30.4861 -30.4861 -11.8052 -11.8052 -11.4458 -11.4458 -11.4147 -11.4147 0.5712 0.5712 1.0850 1.0850 5.0155 5.0155 5.7381 5.7381 5.7741 5.7741 5.8846 5.8846 6.0748 6.0748 6.1785 6.1785 6.3403 6.3403 6.5971 6.5971 6.7987 6.7987 6.9022 6.9022 6.9433 6.9433 8.7958 8.7958 9.5815 9.5815 10.4329 10.4329 11.3861 11.3861 12.5286 12.5286 12.7900 12.7900 13.0660 13.0660 k = 0.3613 0.5291 0.2766 ( 2890 PWs) bands (ev): -30.4859 -30.4859 -11.8060 -11.8060 -11.4473 -11.4473 -11.4146 -11.4146 0.5885 0.5885 1.1323 1.1323 4.9788 4.9788 5.7281 5.7281 5.7587 5.7587 5.8893 5.8893 6.0854 6.0854 6.1741 6.1741 6.3349 6.3349 6.5920 6.5920 6.7781 6.7781 6.8770 6.8770 6.9205 6.9205 8.8249 8.8249 9.5306 9.5306 10.3189 10.3189 11.4361 11.4361 12.5441 12.5441 12.7879 12.7879 13.0789 13.0789 k = 0.3550 0.5399 0.2892 ( 2896 PWs) bands (ev): -30.4858 -30.4858 -11.8069 -11.8069 -11.4489 -11.4489 -11.4144 -11.4144 0.6046 0.6046 1.1815 1.1815 4.9359 4.9359 5.7126 5.7126 5.7548 5.7548 5.8955 5.8955 6.0945 6.0945 6.1701 6.1701 6.3313 6.3313 6.5866 6.5866 6.7574 6.7574 6.8544 6.8544 6.8981 6.8981 8.8531 8.8531 9.4759 9.4759 10.2065 10.2065 11.4875 11.4875 12.5663 12.5663 12.7769 12.7769 13.0970 13.0970 k = 0.3487 0.5508 0.3018 ( 2896 PWs) bands (ev): -30.4857 -30.4857 -11.8078 -11.8078 -11.4504 -11.4504 -11.4142 -11.4142 0.6194 0.6194 1.2325 1.2325 4.8881 4.8881 5.6992 5.6992 5.7551 5.7551 5.9029 5.9029 6.1000 6.1000 6.1685 6.1685 6.3292 6.3292 6.5811 6.5811 6.7372 6.7372 6.8339 6.8339 6.8762 6.8762 8.8806 8.8806 9.4181 9.4181 10.0956 10.0956 11.5408 11.5408 12.5947 12.5947 12.7545 12.7545 13.1201 13.1201 k = 0.3424 0.5617 0.3144 ( 2896 PWs) bands (ev): -30.4855 -30.4855 -11.8086 -11.8086 -11.4519 -11.4519 -11.4140 -11.4140 0.6325 0.6325 1.2851 1.2851 4.8369 4.8369 5.6901 5.6901 5.7569 5.7569 5.9111 5.9111 6.0997 6.0997 6.1714 6.1714 6.3285 6.3285 6.5756 6.5756 6.7174 6.7174 6.8148 6.8148 6.8548 6.8548 8.9073 8.9073 9.3577 9.3577 9.9864 9.9864 11.5961 11.5961 12.6288 12.6288 12.7188 12.7188 13.1483 13.1483 k = 0.3361 0.5726 0.3269 ( 2896 PWs) bands (ev): -30.4854 -30.4854 -11.8095 -11.8095 -11.4534 -11.4534 -11.4138 -11.4138 0.6436 0.6436 1.3394 1.3394 4.7838 4.7838 5.6849 5.6849 5.7597 5.7597 5.9200 5.9200 6.0937 6.0937 6.1794 6.1794 6.3288 6.3288 6.5700 6.5700 6.6983 6.6983 6.7968 6.7968 6.8339 6.8339 8.9333 8.9333 9.2955 9.2955 9.8790 9.8790 11.6537 11.6537 12.6680 12.6680 12.6691 12.6691 13.1816 13.1816 k = 0.3298 0.5835 0.3395 ( 2902 PWs) bands (ev): -30.4853 -30.4853 -11.8103 -11.8103 -11.4548 -11.4548 -11.4135 -11.4135 0.6526 0.6526 1.3952 1.3952 4.7304 4.7304 5.6829 5.6829 5.7632 5.7632 5.9295 5.9295 6.0835 6.0835 6.1908 6.1908 6.3299 6.3299 6.5645 6.5645 6.6798 6.6798 6.7796 6.7796 6.8136 6.8136 8.9585 8.9585 9.2321 9.2321 9.7733 9.7733 11.7136 11.7136 12.6062 12.6062 12.7117 12.7117 13.2197 13.2198 k = 0.3235 0.5943 0.3521 ( 2892 PWs) bands (ev): -30.4852 -30.4852 -11.8110 -11.8110 -11.4560 -11.4560 -11.4132 -11.4132 0.6589 0.6589 1.4525 1.4525 4.6779 4.6779 5.6831 5.6831 5.7675 5.7675 5.9397 5.9397 6.0710 6.0710 6.2042 6.2042 6.3314 6.3314 6.5593 6.5593 6.6622 6.6622 6.7631 6.7631 6.7944 6.7944 8.9830 8.9830 9.1684 9.1684 9.6694 9.6694 11.7759 11.7759 12.5322 12.5322 12.7594 12.7594 13.2628 13.2628 k = 0.3172 0.6052 0.3647 ( 2896 PWs) bands (ev): -30.4851 -30.4851 -11.8118 -11.8118 -11.4573 -11.4573 -11.4130 -11.4130 0.6625 0.6625 1.5110 1.5110 4.6275 4.6275 5.6846 5.6846 5.7725 5.7725 5.9502 5.9502 6.0571 6.0571 6.2187 6.2187 6.3332 6.3332 6.5540 6.5540 6.6454 6.6454 6.7467 6.7467 6.7763 6.7763 9.0063 9.0063 9.1054 9.1054 9.5674 9.5674 11.8405 11.8405 12.4494 12.4494 12.8105 12.8105 13.2791 13.2791 k = 0.3109 0.6161 0.3772 ( 2900 PWs) bands (ev): -30.4850 -30.4850 -11.8125 -11.8125 -11.4584 -11.4584 -11.4127 -11.4127 0.6631 0.6631 1.5709 1.5709 4.5802 4.5802 5.6868 5.6868 5.7784 5.7784 5.9611 5.9611 6.0428 6.0428 6.2338 6.2338 6.3347 6.3347 6.5489 6.5489 6.6297 6.6297 6.7302 6.7302 6.7599 6.7599 9.0208 9.0208 9.0513 9.0513 9.4673 9.4673 11.9072 11.9072 12.3602 12.3602 12.8645 12.8645 13.2300 13.2300 k = 0.3046 0.6270 0.3898 ( 2900 PWs) bands (ev): -30.4849 -30.4849 -11.8131 -11.8131 -11.4595 -11.4595 -11.4125 -11.4125 0.6603 0.6603 1.6319 1.6319 4.5366 4.5366 5.6890 5.6890 5.7852 5.7852 5.9718 5.9718 6.0287 6.0287 6.2491 6.2491 6.3362 6.3362 6.5440 6.5440 6.6151 6.6151 6.7134 6.7134 6.7457 6.7457 8.9745 8.9745 9.0589 9.0589 9.3691 9.3691 11.9758 11.9758 12.2665 12.2665 12.9209 12.9209 13.1831 13.1831 k = 0.2983 0.6379 0.4024 ( 2896 PWs) bands (ev): -30.4848 -30.4848 -11.8137 -11.8137 -11.4604 -11.4604 -11.4122 -11.4122 0.6540 0.6540 1.6938 1.6938 4.4975 4.4975 5.6905 5.6905 5.7930 5.7930 5.9809 5.9809 6.0166 6.0166 6.2643 6.2643 6.3373 6.3373 6.5392 6.5392 6.6021 6.6021 6.6962 6.6962 6.7338 6.7338 8.9149 8.9149 9.0809 9.0809 9.2729 9.2729 12.0448 12.0448 12.1710 12.1710 12.9793 12.9793 13.1388 13.1388 k = 0.2920 0.6487 0.4149 ( 2894 PWs) bands (ev): -30.4847 -30.4847 -11.8142 -11.8142 -11.4612 -11.4612 -11.4120 -11.4120 0.6442 0.6442 1.7567 1.7567 4.4632 4.4632 5.6910 5.6910 5.8016 5.8016 5.9826 5.9826 6.0124 6.0124 6.2790 6.2790 6.3380 6.3380 6.5345 6.5345 6.5910 6.5910 6.6790 6.6790 6.7241 6.7241 8.8563 8.8563 9.1033 9.1033 9.1791 9.1791 12.0608 12.0608 12.1280 12.1280 13.0390 13.0390 13.0970 13.0970 k = 0.2920 0.6487 0.4149 ( 2894 PWs) bands (ev): -30.4847 -30.4847 -11.8142 -11.8142 -11.4612 -11.4612 -11.4120 -11.4120 0.6442 0.6442 1.7567 1.7567 4.4632 4.4632 5.6910 5.6910 5.8016 5.8016 5.9826 5.9826 6.0124 6.0124 6.2790 6.2790 6.3380 6.3380 6.5345 6.5345 6.5910 6.5910 6.6790 6.6790 6.7241 6.7241 8.8563 8.8563 9.1033 9.1033 9.1791 9.1791 12.0608 12.0608 12.1280 12.1280 13.0390 13.0390 13.0970 13.0970 k = 0.2757 0.6447 0.4196 ( 2896 PWs) bands (ev): -30.4847 -30.4847 -11.8144 -11.8144 -11.4615 -11.4615 -11.4119 -11.4119 0.6385 0.6385 1.7815 1.7815 4.4538 4.4538 5.6868 5.6868 5.8078 5.8078 5.9779 5.9779 6.0164 6.0164 6.2840 6.2840 6.3380 6.3380 6.5329 6.5329 6.5876 6.5876 6.6727 6.6727 6.7213 6.7213 8.8021 8.8021 9.1120 9.1120 9.1800 9.1800 12.0259 12.0259 12.1471 12.1471 13.0216 13.0217 13.1177 13.1177 k = 0.2595 0.6407 0.4243 ( 2892 PWs) bands (ev): -30.4847 -30.4847 -11.8146 -11.8146 -11.4618 -11.4618 -11.4118 -11.4118 0.6305 0.6305 1.8084 1.8084 4.4490 4.4490 5.6753 5.6753 5.8186 5.8186 5.9697 5.9697 6.0241 6.0241 6.2886 6.2886 6.3379 6.3379 6.5312 6.5312 6.5851 6.5851 6.6665 6.6665 6.7192 6.7192 8.7052 8.7052 9.1217 9.1217 9.2278 9.2278 11.9874 11.9874 12.1584 12.1584 12.9803 12.9804 13.1555 13.1555 k = 0.2433 0.6367 0.4289 ( 2886 PWs) bands (ev): -30.4846 -30.4846 -11.8147 -11.8147 -11.4620 -11.4620 -11.4117 -11.4117 0.6209 0.6209 1.8366 1.8366 4.4492 4.4492 5.6583 5.6583 5.8319 5.8319 5.9606 5.9606 6.0330 6.0330 6.2924 6.2924 6.3380 6.3380 6.5292 6.5292 6.5837 6.5837 6.6603 6.6603 6.7180 6.7180 8.5940 8.5940 9.1318 9.1318 9.2951 9.2951 11.9480 11.9480 12.1583 12.1583 12.9419 12.9419 13.1865 13.1865 k = 0.2271 0.6327 0.4336 ( 2887 PWs) bands (ev): -30.4846 -30.4846 -11.8148 -11.8148 -11.4622 -11.4622 -11.4117 -11.4117 0.6101 0.6101 1.8654 1.8654 4.4544 4.4544 5.6368 5.6368 5.8464 5.8464 5.9513 5.9513 6.0424 6.0424 6.2946 6.2946 6.3387 6.3387 6.5267 6.5267 6.5833 6.5833 6.6542 6.6542 6.7176 6.7176 8.4801 8.4801 9.1421 9.1421 9.3708 9.3708 11.9087 11.9087 12.1451 12.1451 12.9113 12.9113 13.2096 13.2096 k = 0.2109 0.6286 0.4382 ( 2885 PWs) bands (ev): -30.4846 -30.4846 -11.8150 -11.8150 -11.4624 -11.4624 -11.4116 -11.4116 0.5985 0.5985 1.8940 1.8940 4.4648 4.4648 5.6116 5.6116 5.8613 5.8613 5.9422 5.9422 6.0520 6.0520 6.2951 6.2951 6.3406 6.3406 6.5236 6.5236 6.5837 6.5837 6.6483 6.6483 6.7183 6.7183 8.3678 8.3678 9.1526 9.1526 9.4509 9.4509 11.8704 11.8704 12.1176 12.1176 12.8909 12.8909 13.2256 13.2256 k = 0.1946 0.6246 0.4429 ( 2892 PWs) bands (ev): -30.4846 -30.4846 -11.8151 -11.8151 -11.4626 -11.4626 -11.4115 -11.4115 0.5867 0.5867 1.9220 1.9220 4.4803 4.4803 5.5830 5.5830 5.8760 5.8760 5.9335 5.9335 6.0615 6.0615 6.2935 6.2935 6.3438 6.3438 6.5200 6.5200 6.5848 6.5848 6.6425 6.6425 6.7201 6.7201 8.2592 8.2592 9.1630 9.1630 9.5333 9.5333 11.8335 11.8335 12.0761 12.0761 12.8815 12.8815 13.2357 13.2358 k = 0.1784 0.6206 0.4475 ( 2894 PWs) bands (ev): -30.4846 -30.4846 -11.8152 -11.8152 -11.4628 -11.4628 -11.4115 -11.4115 0.5749 0.5749 1.9488 1.9488 4.5010 4.5010 5.5511 5.5511 5.8902 5.8902 5.9252 5.9252 6.0710 6.0710 6.2901 6.2901 6.3482 6.3482 6.5159 6.5159 6.5864 6.5864 6.6371 6.6371 6.7232 6.7232 8.1555 8.1555 9.1733 9.1733 9.6172 9.6172 11.7983 11.7983 12.0223 12.0223 12.8824 12.8824 13.2100 13.2188 k = 0.1622 0.6166 0.4522 ( 2894 PWs) bands (ev): -30.4846 -30.4846 -11.8153 -11.8153 -11.4629 -11.4629 -11.4114 -11.4114 0.5634 0.5634 1.9739 1.9739 4.5266 4.5266 5.5160 5.5160 5.9036 5.9036 5.9176 5.9176 6.0806 6.0806 6.2852 6.2852 6.3534 6.3534 6.5115 6.5115 6.5881 6.5881 6.6320 6.6320 6.7275 6.7275 8.0577 8.0577 9.1834 9.1834 9.7017 9.7017 11.7652 11.7652 11.9587 11.9587 12.8918 12.8918 13.1687 13.1687 k = 0.1460 0.6125 0.4568 ( 2900 PWs) bands (ev): -30.4845 -30.4845 -11.8154 -11.8154 -11.4631 -11.4631 -11.4114 -11.4114 0.5524 0.5524 1.9972 1.9972 4.5571 4.5571 5.4777 5.4777 5.9102 5.9102 5.9165 5.9165 6.0900 6.0900 6.2793 6.2793 6.3591 6.3591 6.5068 6.5068 6.5898 6.5898 6.6272 6.6272 6.7331 6.7331 7.9663 7.9663 9.1930 9.1930 9.7861 9.7861 11.7344 11.7344 11.8880 11.8880 12.9075 12.9075 13.1310 13.1310 k = 0.1298 0.6085 0.4615 ( 2900 PWs) bands (ev): -30.4845 -30.4845 -11.8155 -11.8155 -11.4632 -11.4632 -11.4113 -11.4113 0.5422 0.5422 2.0183 2.0183 4.5921 4.5921 5.4364 5.4364 5.9040 5.9040 5.9280 5.9280 6.0994 6.0994 6.2725 6.2725 6.3652 6.3652 6.5019 6.5019 6.5912 6.5912 6.6229 6.6229 6.7397 6.7397 7.8822 7.8822 9.2021 9.2021 9.8697 9.8697 11.7062 11.7062 11.8131 11.8131 12.9277 12.9277 13.0970 13.0970 k = 0.1135 0.6045 0.4661 ( 2901 PWs) bands (ev): -30.4845 -30.4845 -11.8156 -11.8156 -11.4633 -11.4633 -11.4112 -11.4112 0.5328 0.5328 2.0371 2.0371 4.6313 4.6313 5.3922 5.3922 5.8983 5.8983 5.9385 5.9385 6.1087 6.1087 6.2651 6.2651 6.3714 6.3714 6.4969 6.4969 6.5925 6.5925 6.6190 6.6190 6.7473 6.7473 7.8057 7.8057 9.2105 9.2105 9.9515 9.9515 11.6802 11.6802 11.7367 11.7367 12.9504 12.9504 13.0667 13.0667 k = 0.0973 0.6005 0.4708 ( 2903 PWs) bands (ev): -30.4845 -30.4845 -11.8156 -11.8156 -11.4634 -11.4634 -11.4112 -11.4112 0.5245 0.5245 2.0535 2.0535 4.6742 4.6742 5.3455 5.3455 5.8933 5.8933 5.9478 5.9478 6.1179 6.1179 6.2573 6.2573 6.3775 6.3775 6.4919 6.4919 6.5935 6.5935 6.6155 6.6155 6.7555 6.7555 7.7375 7.7375 9.2181 9.2181 10.0305 10.0305 11.6496 11.6496 11.6684 11.6684 12.9741 12.9741 13.0404 13.0404 k = 0.0811 0.5964 0.4754 ( 2904 PWs) bands (ev): -30.4845 -30.4845 -11.8157 -11.8157 -11.4635 -11.4635 -11.4112 -11.4112 0.5173 0.5173 2.0674 2.0674 4.7201 4.7201 5.2966 5.2966 5.8891 5.8891 5.9558 5.9558 6.1269 6.1269 6.2492 6.2492 6.3833 6.3833 6.4871 6.4871 6.5942 6.5942 6.6125 6.6125 6.7638 6.7638 7.6782 7.6782 9.2247 9.2247 10.1051 10.1051 11.5830 11.5830 11.6421 11.6421 12.9972 12.9972 13.0181 13.0181 k = 0.0649 0.5924 0.4801 ( 2910 PWs) bands (ev): -30.4845 -30.4845 -11.8158 -11.8158 -11.4636 -11.4636 -11.4112 -11.4112 0.5113 0.5113 2.0788 2.0788 4.7683 4.7683 5.2462 5.2462 5.8855 5.8855 5.9624 5.9624 6.1355 6.1355 6.2413 6.2413 6.3886 6.3886 6.4825 6.4825 6.5947 6.5947 6.6100 6.6100 6.7718 6.7718 7.6284 7.6284 9.2303 9.2303 10.1731 10.1731 11.5155 11.5155 11.6256 11.6256 12.9988 12.9988 13.0198 13.0198 k = 0.0487 0.5884 0.4847 ( 2908 PWs) bands (ev): -30.4845 -30.4845 -11.8158 -11.8158 -11.4636 -11.4636 -11.4111 -11.4111 0.5066 0.5066 2.0876 2.0876 4.8175 4.8175 5.1955 5.1955 5.8828 5.8828 5.9677 5.9677 6.1434 6.1434 6.2338 6.2338 6.3933 6.3933 6.4786 6.4786 6.5950 6.5950 6.6080 6.6080 6.7789 6.7789 7.5888 7.5888 9.2347 9.2347 10.2319 10.2319 11.4564 11.4564 11.6129 11.6129 12.9847 12.9847 13.0385 13.0385 k = 0.0324 0.5844 0.4894 ( 2914 PWs) bands (ev): -30.4845 -30.4845 -11.8158 -11.8158 -11.4637 -11.4637 -11.4111 -11.4111 0.5032 0.5032 2.0939 2.0939 4.8653 4.8653 5.1466 5.1466 5.8809 5.8809 5.9714 5.9714 6.1501 6.1501 6.2274 6.2274 6.3970 6.3970 6.4753 6.4753 6.5952 6.5952 6.6066 6.6066 6.7845 6.7845 7.5599 7.5599 9.2380 9.2380 10.2780 10.2780 11.4098 11.4098 11.6039 11.6039 12.9744 12.9744 13.0533 13.0533 k = 0.0162 0.5803 0.4940 ( 2912 PWs) bands (ev): -30.4845 -30.4845 -11.8158 -11.8158 -11.4637 -11.4637 -11.4111 -11.4111 0.5012 0.5012 2.0977 2.0977 4.9058 4.9058 5.1055 5.1055 5.8797 5.8797 5.9737 5.9737 6.1549 6.1549 6.2229 6.2229 6.3994 6.3994 6.4732 6.4732 6.5954 6.5954 6.6057 6.6057 6.7881 6.7881 7.5423 7.5423 9.2399 9.2399 10.3077 10.3077 11.3796 11.3796 11.5985 11.5985 12.9682 12.9682 13.0629 13.0629 k = 0.0000 0.5763 0.4987 ( 2918 PWs) bands (ev): -30.4845 -30.4845 -11.8159 -11.8159 -11.4637 -11.4637 -11.4111 -11.4111 0.5005 0.5005 2.0989 2.0989 4.9239 4.9239 5.0871 5.0871 5.8793 5.8793 5.9744 5.9744 6.1566 6.1566 6.2212 6.2212 6.4002 6.4002 6.4725 6.4725 6.5954 6.5954 6.6054 6.6054 6.7893 6.7893 7.5364 7.5364 9.2406 9.2406 10.3181 10.3181 11.3692 11.3692 11.5967 11.5967 12.9661 12.9661 13.0662 13.0662 k = 0.0000 0.5763 0.4987 ( 2918 PWs) bands (ev): -30.4845 -30.4845 -11.8159 -11.8159 -11.4637 -11.4637 -11.4111 -11.4111 0.5005 0.5005 2.0989 2.0989 4.9239 4.9239 5.0871 5.0871 5.8793 5.8793 5.9744 5.9744 6.1566 6.1566 6.2212 6.2212 6.4002 6.4002 6.4725 6.4725 6.5954 6.5954 6.6054 6.6054 6.7893 6.7893 7.5364 7.5364 9.2406 9.2406 10.3181 10.3181 11.3692 11.3692 11.5967 11.5967 12.9661 12.9661 13.0662 13.0662 k = 0.0064 0.5653 0.5114 ( 2908 PWs) bands (ev): -30.4845 -30.4845 -11.8158 -11.8158 -11.4637 -11.4637 -11.4112 -11.4112 0.5010 0.5010 2.1001 2.1001 4.9241 4.9241 5.0868 5.0868 5.8770 5.8770 5.9767 5.9767 6.1571 6.1571 6.2217 6.2217 6.3993 6.3993 6.4723 6.4723 6.5950 6.5950 6.6077 6.6077 6.7891 6.7891 7.5366 7.5366 9.2355 9.2355 10.3156 10.3156 11.3610 11.3610 11.5869 11.5869 12.9500 12.9500 13.0906 13.0906 k = 0.0128 0.5542 0.5242 ( 2904 PWs) bands (ev): -30.4845 -30.4845 -11.8159 -11.8159 -11.4636 -11.4636 -11.4114 -11.4114 0.5025 0.5025 2.1037 2.1037 4.9243 4.9243 5.0857 5.0857 5.8706 5.8706 5.9828 5.9828 6.1587 6.1587 6.2232 6.2232 6.3965 6.3965 6.4715 6.4715 6.5950 6.5950 6.6130 6.6130 6.7883 6.7883 7.5373 7.5373 9.2205 9.2205 10.3082 10.3082 11.3328 11.3328 11.5642 11.5642 12.9228 12.9228 13.1426 13.1426 k = 0.0192 0.5431 0.5370 ( 2910 PWs) bands (ev): -30.4845 -30.4845 -11.8159 -11.8159 -11.4636 -11.4636 -11.4117 -11.4117 0.5049 0.5049 2.1096 2.1096 4.9248 4.9248 5.0838 5.0838 5.8617 5.8617 5.9910 5.9910 6.1614 6.1614 6.2254 6.2254 6.3921 6.3921 6.4700 6.4700 6.5965 6.5965 6.6200 6.6200 6.7870 6.7870 7.5383 7.5383 9.1961 9.1961 10.2955 10.2955 11.2765 11.2765 11.5426 11.5426 12.8999 12.8999 13.2063 13.2063 k = 0.0256 0.5321 0.5498 ( 2910 PWs) bands (ev): -30.4844 -30.4844 -11.8160 -11.8160 -11.4635 -11.4635 -11.4122 -11.4122 0.5084 0.5084 2.1179 2.1179 4.9253 4.9253 5.0811 5.0811 5.8517 5.8517 6.0001 6.0001 6.1655 6.1655 6.2284 6.2284 6.3867 6.3867 6.4681 6.4681 6.5996 6.5996 6.6281 6.6281 6.7853 6.7853 7.5397 7.5397 9.1630 9.1630 10.2770 10.2770 11.1905 11.1905 11.5311 11.5311 12.8853 12.8853 13.2773 13.2773 k = 0.0321 0.5210 0.5626 ( 2908 PWs) bands (ev): -30.4844 -30.4844 -11.8161 -11.8161 -11.4634 -11.4634 -11.4128 -11.4128 0.5129 0.5129 2.1286 2.1286 4.9259 4.9259 5.0775 5.0775 5.8416 5.8416 6.0092 6.0092 6.1709 6.1709 6.2320 6.2320 6.3806 6.3806 6.4660 6.4660 6.6042 6.6042 6.6369 6.6369 6.7834 6.7834 7.5415 7.5415 9.1224 9.1224 10.2526 10.2526 11.0817 11.0817 11.5296 11.5296 12.8801 12.8801 13.3534 13.3534 k = 0.0385 0.5099 0.5754 ( 2906 PWs) bands (ev): -30.4843 -30.4843 -11.8163 -11.8163 -11.4633 -11.4633 -11.4136 -11.4136 0.5182 0.5182 2.1416 2.1416 4.9264 4.9264 5.0728 5.0728 5.8320 5.8320 6.0177 6.0177 6.1776 6.1776 6.2360 6.2360 6.3742 6.3742 6.4638 6.4638 6.6098 6.6098 6.6460 6.6460 6.7813 6.7813 7.5437 7.5437 9.0752 9.0752 10.2217 10.2217 10.9578 10.9578 11.5349 11.5349 12.8846 12.8846 13.4333 13.4333 k = 0.0449 0.4989 0.5882 ( 2904 PWs) bands (ev): -30.4842 -30.4842 -11.8164 -11.8164 -11.4632 -11.4632 -11.4144 -11.4144 0.5245 0.5245 2.1568 2.1568 4.9269 4.9269 5.0670 5.0670 5.8235 5.8235 6.0254 6.0254 6.1853 6.1853 6.2404 6.2404 6.3679 6.3679 6.4621 6.4621 6.6159 6.6159 6.6553 6.6553 6.7793 6.7793 7.5463 7.5463 9.0226 9.0226 10.1843 10.1843 10.8248 10.8248 11.5449 11.5449 12.8984 12.8984 13.5156 13.5156 k = 0.0513 0.4878 0.6009 ( 2898 PWs) bands (ev): -30.4841 -30.4841 -11.8166 -11.8166 -11.4630 -11.4630 -11.4154 -11.4154 0.5317 0.5317 2.1744 2.1744 4.9271 4.9271 5.0598 5.0598 5.8164 5.8164 6.0321 6.0321 6.1936 6.1936 6.2451 6.2451 6.3622 6.3622 6.4610 6.4610 6.6220 6.6220 6.6645 6.6645 6.7778 6.7778 7.5493 7.5493 8.9656 8.9656 10.1406 10.1406 10.6863 10.6863 11.5585 11.5585 12.9211 12.9211 13.5993 13.5993 k = 0.0577 0.4768 0.6137 ( 2894 PWs) bands (ev): -30.4841 -30.4841 -11.8168 -11.8168 -11.4628 -11.4628 -11.4164 -11.4164 0.5398 0.5398 2.1942 2.1942 4.9269 4.9269 5.0513 5.0513 5.8110 5.8110 6.0381 6.0381 6.2018 6.2018 6.2502 6.2502 6.3575 6.3575 6.4609 6.4609 6.6275 6.6275 6.6736 6.6736 6.7770 6.7770 7.5527 7.5527 8.9053 8.9053 10.0907 10.0907 10.5449 10.5449 11.5749 11.5749 12.9520 12.9520 13.6830 13.6830 k = 0.0641 0.4657 0.6265 ( 2892 PWs) bands (ev): -30.4840 -30.4840 -11.8171 -11.8171 -11.4627 -11.4627 -11.4175 -11.4175 0.5487 0.5487 2.2162 2.2162 4.9263 4.9263 5.0412 5.0412 5.8076 5.8076 6.0435 6.0435 6.2091 6.2091 6.2554 6.2554 6.3544 6.3544 6.4620 6.4620 6.6319 6.6319 6.6823 6.6823 6.7772 6.7772 7.5565 7.5565 8.8425 8.8425 10.0350 10.0350 10.4025 10.4025 11.5936 11.5936 12.9902 12.9902 13.7659 13.7659 k = 0.0705 0.4546 0.6393 ( 2892 PWs) bands (ev): -30.4839 -30.4839 -11.8173 -11.8173 -11.4625 -11.4625 -11.4187 -11.4187 0.5584 0.5584 2.2404 2.2404 4.9251 4.9251 5.0297 5.0297 5.8063 5.8063 6.0486 6.0486 6.2148 6.2148 6.2607 6.2607 6.3537 6.3537 6.4642 6.4642 6.6345 6.6345 6.6908 6.6908 6.7789 6.7789 7.5606 7.5606 8.7780 8.7780 9.9741 9.9741 10.2603 10.2603 11.6142 11.6142 13.0347 13.0347 13.8468 13.8468 k = 0.0769 0.4436 0.6521 ( 2886 PWs) bands (ev): -30.4837 -30.4837 -11.8176 -11.8176 -11.4624 -11.4624 -11.4200 -11.4200 0.5688 0.5688 2.2666 2.2666 4.9231 4.9231 5.0165 5.0165 5.8073 5.8073 6.0534 6.0534 6.2187 6.2187 6.2654 6.2654 6.3560 6.3560 6.4679 6.4679 6.6351 6.6351 6.6990 6.6990 6.7821 6.7821 7.5651 7.5651 8.7126 8.7126 9.9085 9.9085 10.1193 10.1193 11.6364 11.6364 13.0845 13.0845 13.9249 13.9249 k = 0.0833 0.4325 0.6649 ( 2890 PWs) bands (ev): -30.4836 -30.4836 -11.8179 -11.8179 -11.4623 -11.4623 -11.4213 -11.4213 0.5799 0.5799 2.2949 2.2949 4.9202 4.9202 5.0017 5.0017 5.8106 5.8106 6.0582 6.0582 6.2208 6.2208 6.2687 6.2687 6.3618 6.3618 6.4728 6.4728 6.6336 6.6336 6.7069 6.7069 6.7868 6.7868 7.5699 7.5699 8.6468 8.6468 9.8387 9.8387 9.9806 9.9806 11.6599 11.6599 13.1388 13.1388 13.9994 13.9994 k = 0.0897 0.4214 0.6777 ( 2892 PWs) bands (ev): -30.4835 -30.4835 -11.8183 -11.8183 -11.4622 -11.4622 -11.4226 -11.4226 0.5916 0.5916 2.3252 2.3252 4.9162 4.9162 4.9855 4.9855 5.8162 5.8162 6.0631 6.0631 6.2214 6.2214 6.2705 6.2705 6.3710 6.3710 6.4790 6.4790 6.6302 6.6302 6.7144 6.7144 6.7928 6.7928 7.5750 7.5750 8.5812 8.5812 9.7649 9.7649 9.8450 9.8450 11.6843 11.6843 13.1965 13.1965 14.0700 14.0700 k = 0.0962 0.4104 0.6904 ( 2890 PWs) bands (ev): -30.4834 -30.4834 -11.8187 -11.8187 -11.4621 -11.4621 -11.4240 -11.4240 0.6039 0.6039 2.3574 2.3574 4.9109 4.9109 4.9680 4.9680 5.8241 5.8241 6.0681 6.0681 6.2210 6.2210 6.2711 6.2711 6.3829 6.3829 6.4863 6.4863 6.6251 6.6251 6.7217 6.7217 6.8000 6.8000 7.5805 7.5805 8.5163 8.5163 9.6844 9.6844 9.7165 9.7165 11.7091 11.7091 13.2568 13.2568 14.1364 14.1364 k = 0.1026 0.3993 0.7032 ( 2888 PWs) bands (ev): -30.4832 -30.4832 -11.8191 -11.8191 -11.4621 -11.4621 -11.4252 -11.4252 0.6168 0.6168 2.3914 2.3914 4.9040 4.9040 4.9495 4.9495 5.8343 5.8343 6.0734 6.0734 6.2198 6.2198 6.2711 6.2711 6.3966 6.3966 6.4946 6.4946 6.6188 6.6188 6.7285 6.7285 6.8079 6.8079 7.5862 7.5862 8.4524 8.4524 9.5750 9.5750 9.6183 9.6183 11.7341 11.7341 13.3190 13.3190 14.1987 14.1987 k = 0.1090 0.3882 0.7160 ( 2890 PWs) bands (ev): -30.4831 -30.4831 -11.8195 -11.8195 -11.4622 -11.4622 -11.4265 -11.4265 0.6300 0.6300 2.4272 2.4272 4.8952 4.8952 4.9303 4.9303 5.8464 5.8464 6.0789 6.0789 6.2181 6.2181 6.2707 6.2707 6.4111 6.4111 6.5035 6.5035 6.6119 6.6119 6.7347 6.7347 6.8162 6.8162 7.5922 7.5922 8.3899 8.3899 9.4518 9.4518 9.5363 9.5363 11.7586 11.7586 13.3821 13.3821 14.1624 14.1624 k = 0.1154 0.3772 0.7288 ( 2892 PWs) bands (ev): -30.4830 -30.4830 -11.8199 -11.8199 -11.4623 -11.4623 -11.4278 -11.4278 0.6436 0.6436 2.4646 2.4646 4.8836 4.8836 4.9114 4.9114 5.8605 5.8605 6.0847 6.0847 6.2161 6.2161 6.2706 6.2706 6.4257 6.4257 6.5131 6.5131 6.6051 6.6051 6.7403 6.7403 6.8248 6.8248 7.5984 7.5984 8.3292 8.3292 9.3315 9.3315 9.4548 9.4548 11.7820 11.7820 13.4455 13.4455 14.0748 14.0748 k = 0.1218 0.3661 0.7416 ( 2896 PWs) bands (ev): -30.4828 -30.4828 -11.8204 -11.8204 -11.4624 -11.4624 -11.4289 -11.4289 0.6576 0.6576 2.5035 2.5035 4.8682 4.8682 4.8939 4.8939 5.8762 5.8762 6.0907 6.0907 6.2140 6.2140 6.2708 6.2708 6.4392 6.4392 6.5229 6.5229 6.5991 6.5991 6.7452 6.7452 6.8335 6.8335 7.6046 7.6046 8.2703 8.2703 9.2158 9.2158 9.3728 9.3728 11.8038 11.8038 13.5085 13.5085 13.9910 13.9910 k = 0.1282 0.3551 0.7544 ( 2900 PWs) bands (ev): -30.4827 -30.4827 -11.8209 -11.8209 -11.4627 -11.4627 -11.4300 -11.4300 0.6717 0.6717 2.5438 2.5438 4.8489 4.8489 4.8780 4.8780 5.8934 5.8934 6.0968 6.0968 6.2121 6.2121 6.2716 6.2716 6.4506 6.4506 6.5328 6.5328 6.5951 6.5951 6.7496 6.7496 6.8420 6.8420 7.6110 7.6110 8.2137 8.2137 9.1053 9.1053 9.2906 9.2906 11.8232 11.8232 13.5705 13.5705 13.9131 13.9131 k = 0.1346 0.3440 0.7672 ( 2894 PWs) bands (ev): -30.4826 -30.4826 -11.8213 -11.8213 -11.4629 -11.4629 -11.4310 -11.4310 0.6859 0.6859 2.5853 2.5853 4.8272 4.8272 4.8626 4.8626 5.9117 5.9117 6.1032 6.1032 6.2104 6.2104 6.2731 6.2731 6.4587 6.4587 6.5423 6.5423 6.5945 6.5945 6.7535 6.7535 6.8503 6.8503 7.6174 7.6174 8.1594 8.1594 9.0005 9.0005 9.2086 9.2086 11.8394 11.8394 13.6307 13.6307 13.8428 13.8428 k = 0.1410 0.3329 0.7800 ( 2894 PWs) bands (ev): -30.4824 -30.4824 -11.8218 -11.8218 -11.4633 -11.4633 -11.4319 -11.4319 0.7002 0.7002 2.6278 2.6278 4.8041 4.8041 4.8466 4.8466 5.9310 5.9310 6.1098 6.1098 6.2091 6.2091 6.2753 6.2753 6.4627 6.4627 6.5504 6.5504 6.5986 6.5986 6.7570 6.7570 6.8582 6.8582 7.6237 7.6237 8.1077 8.1077 8.9017 8.9017 9.1269 9.1269 11.8517 11.8517 13.6887 13.6887 13.7817 13.7817 k = 0.1474 0.3219 0.7927 ( 2888 PWs) bands (ev): -30.4823 -30.4823 -11.8223 -11.8223 -11.4637 -11.4637 -11.4327 -11.4327 0.7144 0.7144 2.6713 2.6713 4.7805 4.7805 4.8295 4.8295 5.9508 5.9508 6.1166 6.1166 6.2082 6.2082 6.2783 6.2783 6.4623 6.4623 6.5568 6.5568 6.6081 6.6081 6.7603 6.7603 6.8657 6.8657 7.6297 7.6297 8.0586 8.0586 8.8094 8.8094 9.0462 9.0462 11.8596 11.8596 13.7309 13.7309 13.7440 13.7440 k = 0.1538 0.3108 0.8055 ( 2890 PWs) bands (ev): -30.4822 -30.4822 -11.8228 -11.8228 -11.4642 -11.4642 -11.4334 -11.4334 0.7284 0.7284 2.7154 2.7154 4.7568 4.7568 4.8111 4.8111 5.9708 5.9708 6.1236 6.1236 6.2079 6.2079 6.2818 6.2818 6.4584 6.4584 6.5609 6.5609 6.6219 6.6219 6.7635 6.7635 6.8726 6.8726 7.6353 7.6353 8.0124 8.0124 8.7237 8.7237 8.9665 8.9665 11.8623 11.8623 13.6915 13.6915 13.7959 13.7959 k = 0.1603 0.2997 0.8183 ( 2896 PWs) bands (ev): -30.4820 -30.4820 -11.8233 -11.8233 -11.4648 -11.4648 -11.4340 -11.4340 0.7422 0.7422 2.7599 2.7599 4.7333 4.7333 4.7915 4.7915 5.9906 5.9906 6.1309 6.1309 6.2082 6.2082 6.2860 6.2860 6.4519 6.4519 6.5631 6.5631 6.6386 6.6386 6.7670 6.7670 6.8789 6.8789 7.6404 7.6404 7.9690 7.9690 8.6450 8.6450 8.8885 8.8885 11.8596 11.8596 13.6641 13.6641 13.8444 13.8444 k = 0.1667 0.2887 0.8311 ( 2896 PWs) bands (ev): -30.4819 -30.4819 -11.8238 -11.8238 -11.4654 -11.4654 -11.4344 -11.4344 0.7556 0.7556 2.8045 2.8045 4.7102 4.7102 4.7706 4.7706 6.0099 6.0099 6.1385 6.1385 6.2091 6.2091 6.2906 6.2906 6.4439 6.4439 6.5631 6.5631 6.6573 6.6573 6.7709 6.7709 6.8846 6.8846 7.6447 7.6447 7.9287 7.9287 8.5734 8.5734 8.8124 8.8124 11.8516 11.8516 13.6489 13.6489 13.8892 13.8892 k = 0.1731 0.2776 0.8439 ( 2894 PWs) bands (ev): -30.4818 -30.4818 -11.8242 -11.8242 -11.4660 -11.4660 -11.4348 -11.4348 0.7686 0.7686 2.8490 2.8490 4.6878 4.6878 4.7487 4.7487 6.0284 6.0284 6.1465 6.1465 6.2107 6.2107 6.2956 6.2956 6.4354 6.4354 6.5609 6.5609 6.6769 6.6769 6.7755 6.7755 6.8896 6.8896 7.6483 7.6483 7.8916 7.8916 8.5091 8.5091 8.7386 8.7386 11.8386 11.8386 13.6459 13.6459 13.9303 13.9303 k = 0.1795 0.2666 0.8567 ( 2894 PWs) bands (ev): -30.4817 -30.4817 -11.8247 -11.8247 -11.4666 -11.4666 -11.4352 -11.4352 0.7810 0.7810 2.8929 2.8929 4.6664 4.6664 4.7260 4.7260 6.0457 6.0457 6.1548 6.1548 6.2130 6.2130 6.3005 6.3005 6.4270 6.4270 6.5564 6.5564 6.6970 6.6970 6.7806 6.7806 6.8940 6.8940 7.6508 7.6508 7.8577 7.8577 8.4520 8.4520 8.6676 8.6676 11.8212 11.8212 13.6548 13.6548 13.9675 13.9675 k = 0.1859 0.2555 0.8695 ( 2892 PWs) bands (ev): -30.4816 -30.4816 -11.8251 -11.8251 -11.4672 -11.4672 -11.4354 -11.4354 0.7927 0.7927 2.9360 2.9360 4.6460 4.6460 4.7027 4.7027 6.0615 6.0615 6.1632 6.1632 6.2161 6.2161 6.3051 6.3051 6.4193 6.4193 6.5498 6.5498 6.7171 6.7171 6.7864 6.7864 6.8979 6.8979 7.6521 7.6521 7.8270 7.8270 8.4021 8.4021 8.5999 8.5999 11.8003 11.8003 13.6747 13.6747 14.0011 14.0011 k = 0.1923 0.2444 0.8822 ( 2892 PWs) bands (ev): -30.4815 -30.4815 -11.8255 -11.8255 -11.4678 -11.4678 -11.4356 -11.4356 0.8036 0.8036 2.9776 2.9776 4.6270 4.6270 4.6792 4.6792 6.0759 6.0759 6.1714 6.1714 6.2202 6.2202 6.3090 6.3090 6.4127 6.4127 6.5415 6.5415 6.7365 6.7365 6.7927 6.7927 6.9013 6.9013 7.6521 7.6521 7.7998 7.7998 8.3591 8.3591 8.5360 8.5360 11.7770 11.7770 13.7049 13.7049 14.0311 14.0311 k = 0.1987 0.2334 0.8950 ( 2894 PWs) bands (ev): -30.4814 -30.4814 -11.8259 -11.8259 -11.4684 -11.4684 -11.4357 -11.4357 0.8137 0.8137 3.0174 3.0174 4.6094 4.6094 4.6559 4.6559 6.0888 6.0888 6.1787 6.1787 6.2253 6.2253 6.3118 6.3118 6.4075 6.4075 6.5320 6.5320 6.7549 6.7549 6.7994 6.7994 6.9045 6.9045 7.6509 7.6509 7.7760 7.7760 8.3226 8.3226 8.4763 8.4763 11.7525 11.7525 13.7441 13.7441 14.0578 14.0578 k = 0.2051 0.2223 0.9078 ( 2898 PWs) bands (ev): -30.4813 -30.4813 -11.8263 -11.8263 -11.4690 -11.4690 -11.4359 -11.4359 0.8229 0.8229 3.0547 3.0547 4.5935 4.5935 4.6332 4.6332 6.1004 6.1004 6.1846 6.1846 6.2318 6.2318 6.3133 6.3133 6.4036 6.4036 6.5220 6.5220 6.7715 6.7715 6.8064 6.8064 6.9076 6.9076 7.6484 7.6484 7.7557 7.7557 8.2920 8.2920 8.4218 8.4218 11.7279 11.7279 13.7913 13.7913 14.0811 14.0811 k = 0.2115 0.2112 0.9206 ( 2898 PWs) bands (ev): -30.4812 -30.4812 -11.8266 -11.8266 -11.4695 -11.4695 -11.4359 -11.4359 0.8310 0.8310 3.0889 3.0889 4.5793 4.5793 4.6118 4.6118 6.1109 6.1109 6.1887 6.1887 6.2396 6.2396 6.3136 6.3136 6.4004 6.4004 6.5125 6.5125 6.7860 6.7860 6.8133 6.8133 6.9110 6.9110 7.6449 7.6449 7.7390 7.7390 8.2667 8.2667 8.3731 8.3731 11.7043 11.7043 13.8451 13.8451 14.1013 14.1013 k = 0.2179 0.2002 0.9334 ( 2898 PWs) bands (ev): -30.4812 -30.4812 -11.8268 -11.8268 -11.4699 -11.4699 -11.4360 -11.4360 0.8379 0.8379 3.1194 3.1194 4.5670 4.5670 4.5922 4.5922 6.1202 6.1202 6.1909 6.1909 6.2485 6.2485 6.3130 6.3130 6.3971 6.3971 6.5042 6.5042 6.7979 6.7979 6.8198 6.8198 6.9148 6.9148 7.6407 7.6407 7.7255 7.7255 8.2458 8.2458 8.3311 8.3311 11.6826 11.6826 13.9042 13.9042 14.1184 14.1184 k = 0.2244 0.1891 0.9462 ( 2898 PWs) bands (ev): -30.4811 -30.4811 -11.8271 -11.8271 -11.4703 -11.4703 -11.4360 -11.4360 0.8438 0.8438 3.1456 3.1456 4.5567 4.5567 4.5752 4.5752 6.1286 6.1286 6.1914 6.1914 6.2579 6.2579 6.3120 6.3120 6.3930 6.3930 6.4978 6.4978 6.8074 6.8074 6.8252 6.8252 6.9190 6.9190 7.6362 7.6362 7.7152 7.7152 8.2283 8.2283 8.2969 8.2969 11.6637 11.6637 13.9669 13.9669 14.1325 14.1325 k = 0.2308 0.1780 0.9590 ( 2898 PWs) bands (ev): -30.4811 -30.4811 -11.8272 -11.8272 -11.4705 -11.4705 -11.4360 -11.4360 0.8483 0.8483 3.1668 3.1668 4.5483 4.5483 4.5614 4.5614 6.1359 6.1359 6.1906 6.1906 6.2671 6.2671 6.3109 6.3109 6.3878 6.3878 6.4935 6.4935 6.8148 6.8148 6.8291 6.8291 6.9233 6.9233 7.6321 7.6321 7.7076 7.7076 8.2135 8.2135 8.2713 8.2713 11.6483 11.6483 14.0305 14.0305 14.1434 14.1434 k = 0.2372 0.1670 0.9717 ( 2898 PWs) bands (ev): -30.4811 -30.4811 -11.8274 -11.8274 -11.4707 -11.4707 -11.4361 -11.4361 0.8517 0.8517 3.1824 3.1824 4.5420 4.5420 4.5515 4.5515 6.1419 6.1419 6.1890 6.1890 6.2752 6.2752 6.3101 6.3101 6.3823 6.3823 6.4911 6.4911 6.8204 6.8204 6.8310 6.8310 6.9271 6.9271 7.6287 7.6287 7.7024 7.7024 8.2015 8.2015 8.2545 8.2545 11.6369 11.6369 14.0906 14.0906 14.1513 14.1513 k = 0.2436 0.1559 0.9845 ( 2894 PWs) bands (ev): -30.4811 -30.4811 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8537 0.8537 3.1919 3.1919 4.5377 4.5377 4.5457 4.5457 6.1459 6.1459 6.1875 6.1875 6.2810 6.2810 6.3096 6.3096 6.3779 6.3779 6.4900 6.4900 6.8245 6.8245 6.8315 6.8315 6.9297 6.9297 7.6265 7.6265 7.6994 7.6994 8.1933 8.1933 8.2452 8.2452 11.6299 11.6299 14.1380 14.1380 14.1562 14.1562 k = 0.2500 0.1449 0.9973 ( 2888 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8543 0.8543 3.1952 3.1952 4.5362 4.5362 4.5439 4.5439 6.1474 6.1474 6.1869 6.1869 6.2831 6.2831 6.3094 6.3094 6.3763 6.3763 6.4897 6.4897 6.8261 6.8261 6.8313 6.8313 6.9307 6.9307 7.6258 7.6258 7.6985 7.6985 8.1904 8.1904 8.2423 8.2423 11.6276 11.6276 14.1554 14.1554 14.1597 14.1597 k = 0.2500 0.1449 0.9973 ( 2888 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8543 0.8543 3.1952 3.1952 4.5362 4.5362 4.5439 4.5439 6.1474 6.1474 6.1869 6.1869 6.2831 6.2831 6.3094 6.3094 6.3763 6.3763 6.4897 6.4897 6.8261 6.8261 6.8313 6.8313 6.9307 6.9307 7.6258 7.6258 7.6985 7.6985 8.1904 8.1904 8.2423 8.2423 11.6276 11.6276 14.1554 14.1554 14.1597 14.1597 k = 0.2632 0.1525 0.9885 ( 2890 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8542 0.8542 3.1944 3.1944 4.5286 4.5286 4.5525 4.5525 6.1468 6.1468 6.1871 6.1871 6.2819 6.2819 6.3109 6.3109 6.3767 6.3767 6.4898 6.4898 6.8257 6.8257 6.8313 6.8313 6.9292 6.9292 7.6218 7.6218 7.7011 7.7011 8.1761 8.1761 8.2607 8.2607 11.6316 11.6316 14.0551 14.0551 14.2531 14.2531 k = 0.2763 0.1601 0.9797 ( 2894 PWs) bands (ev): -30.4811 -30.4811 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8537 0.8537 3.1920 3.1920 4.5186 4.5186 4.5658 4.5658 6.1452 6.1452 6.1874 6.1874 6.2792 6.2792 6.3140 6.3140 6.3783 6.3783 6.4901 6.4901 6.8244 6.8244 6.8315 6.8315 6.9249 6.9249 7.6111 7.6111 7.7076 7.7076 8.1544 8.1544 8.2951 8.2951 11.6433 11.6433 13.9526 13.9526 14.3253 14.3253 k = 0.2895 0.1677 0.9709 ( 2896 PWs) bands (ev): -30.4811 -30.4811 -11.8274 -11.8274 -11.4708 -11.4708 -11.4360 -11.4360 0.8531 0.8531 3.1876 3.1876 4.5094 4.5094 4.5808 4.5808 6.1430 6.1430 6.1877 6.1877 6.2761 6.2761 6.3169 6.3169 6.3814 6.3814 6.4908 6.4908 6.8222 6.8222 6.8316 6.8316 6.9175 6.9175 7.5959 7.5959 7.7157 7.7157 8.1362 8.1362 8.3347 8.3347 11.6625 11.6625 13.8514 13.8514 14.3603 14.3603 k = 0.3026 0.1754 0.9621 ( 2896 PWs) bands (ev): -30.4811 -30.4811 -11.8274 -11.8274 -11.4708 -11.4708 -11.4360 -11.4360 0.8524 0.8524 3.1810 3.1810 4.5012 4.5012 4.5975 4.5975 6.1406 6.1406 6.1880 6.1880 6.2732 6.2732 6.3188 6.3188 6.3861 6.3861 6.4919 6.4919 6.8193 6.8193 6.8316 6.8316 6.9071 6.9071 7.5783 7.5783 7.7241 7.7241 8.1232 8.1232 8.3775 8.3775 11.6888 11.6888 13.7521 13.7521 14.3653 14.3653 k = 0.3158 0.1830 0.9533 ( 2896 PWs) bands (ev): -30.4811 -30.4811 -11.8273 -11.8273 -11.4707 -11.4707 -11.4360 -11.4360 0.8516 0.8516 3.1719 3.1719 4.4940 4.4940 4.6159 4.6159 6.1382 6.1382 6.1879 6.1879 6.2706 6.2706 6.3194 6.3194 6.3920 6.3920 6.4934 6.4934 6.8153 6.8153 6.8314 6.8314 6.8938 6.8938 7.5600 7.5600 7.7322 7.7322 8.1156 8.1156 8.4228 8.4228 11.7217 11.7217 13.6554 13.6554 14.3531 14.3531 k = 0.3289 0.1906 0.9444 ( 2891 PWs) bands (ev): -30.4811 -30.4811 -11.8272 -11.8272 -11.4705 -11.4705 -11.4360 -11.4360 0.8509 0.8509 3.1602 3.1602 4.4879 4.4879 4.6361 4.6361 6.1360 6.1360 6.1875 6.1875 6.2684 6.2684 6.3190 6.3190 6.3987 6.3987 6.4954 6.4954 6.8098 6.8098 6.8310 6.8310 6.8782 6.8782 7.5429 7.5429 7.7395 7.7395 8.1129 8.1129 8.4700 8.4700 11.7608 11.7608 13.5619 13.5619 14.3281 14.3281 k = 0.3421 0.1982 0.9356 ( 2889 PWs) bands (ev): -30.4811 -30.4811 -11.8271 -11.8271 -11.4704 -11.4704 -11.4360 -11.4360 0.8503 0.8503 3.1459 3.1459 4.4830 4.4830 4.6579 4.6579 6.1340 6.1340 6.1866 6.1866 6.2666 6.2666 6.3180 6.3180 6.4056 6.4056 6.4979 6.4979 6.8014 6.8014 6.8296 6.8296 6.8618 6.8618 7.5284 7.5284 7.7460 7.7460 8.1144 8.1144 8.5184 8.5184 11.8053 11.8053 13.4721 13.4721 14.2888 14.2888 k = 0.3553 0.2058 0.9268 ( 2891 PWs) bands (ev): -30.4811 -30.4811 -11.8270 -11.8270 -11.4703 -11.4703 -11.4360 -11.4360 0.8498 0.8498 3.1288 3.1288 4.4792 4.4792 4.6813 4.6813 6.1325 6.1325 6.1851 6.1851 6.2650 6.2650 6.3168 6.3168 6.4121 6.4121 6.5009 6.5009 6.7879 6.7879 6.8265 6.8265 6.8483 6.8483 7.5179 7.5179 7.7518 7.7518 8.1194 8.1194 8.5676 8.5676 11.8548 11.8548 13.3866 13.3866 14.2326 14.2326 k = 0.3684 0.2135 0.9180 ( 2892 PWs) bands (ev): -30.4812 -30.4812 -11.8270 -11.8270 -11.4701 -11.4701 -11.4360 -11.4360 0.8495 0.8495 3.1092 3.1092 4.4766 4.4766 4.7060 4.7060 6.1315 6.1315 6.1830 6.1830 6.2637 6.2637 6.3158 6.3158 6.4179 6.4179 6.5041 6.5041 6.7667 6.7667 6.8207 6.8207 6.8409 6.8409 7.5123 7.5123 7.7569 7.7569 8.1273 8.1273 8.6171 8.6171 11.9085 11.9085 13.3060 13.3060 14.1597 14.1597 k = 0.3816 0.2211 0.9092 ( 2897 PWs) bands (ev): -30.4812 -30.4812 -11.8269 -11.8269 -11.4699 -11.4699 -11.4361 -11.4361 0.8494 0.8494 3.0870 3.0870 4.4754 4.4754 4.7319 4.7319 6.1309 6.1309 6.1801 6.1801 6.2628 6.2628 6.3153 6.3153 6.4228 6.4228 6.5073 6.5073 6.7386 6.7386 6.8141 6.8141 6.8379 6.8379 7.5123 7.5123 7.7613 7.7613 8.1376 8.1376 8.6662 8.6662 11.9654 11.9654 13.2309 13.2309 14.0739 14.0739 k = 0.3947 0.2287 0.9004 ( 2893 PWs) bands (ev): -30.4812 -30.4812 -11.8267 -11.8267 -11.4697 -11.4697 -11.4361 -11.4361 0.8494 0.8494 3.0624 3.0624 4.4754 4.4754 4.7586 4.7586 6.1309 6.1309 6.1764 6.1764 6.2622 6.2622 6.3156 6.3156 6.4268 6.4268 6.5104 6.5104 6.7058 6.7058 6.8080 6.8080 6.8365 6.8365 7.5179 7.5179 7.7652 7.7652 8.1500 8.1500 8.7145 8.7145 12.0246 12.0246 13.1618 13.1618 13.9810 13.9810 k = 0.4079 0.2363 0.8916 ( 2893 PWs) bands (ev): -30.4812 -30.4812 -11.8266 -11.8266 -11.4694 -11.4694 -11.4361 -11.4361 0.8497 0.8497 3.0357 3.0357 4.4766 4.4766 4.7859 4.7859 6.1313 6.1313 6.1718 6.1718 6.2620 6.2620 6.3168 6.3168 6.4298 6.4298 6.5129 6.5129 6.6704 6.6704 6.8022 6.8022 6.8356 6.8356 7.5291 7.5291 7.7687 7.7687 8.1642 8.1642 8.7614 8.7614 12.0848 12.0848 13.0992 13.0992 13.8862 13.8862 k = 0.4211 0.2440 0.8828 ( 2899 PWs) bands (ev): -30.4813 -30.4813 -11.8265 -11.8265 -11.4692 -11.4692 -11.4361 -11.4361 0.8501 0.8501 3.0069 3.0069 4.4793 4.4793 4.8134 4.8134 6.1321 6.1321 6.1664 6.1664 6.2620 6.2620 6.3190 6.3190 6.4316 6.4316 6.5141 6.5141 6.6341 6.6341 6.7965 6.7965 6.8350 6.8350 7.5453 7.5453 7.7719 7.7719 8.1802 8.1802 8.8063 8.8063 12.1445 12.1445 13.0437 13.0437 13.7934 13.7934 k = 0.4342 0.2516 0.8740 ( 2896 PWs) bands (ev): -30.4813 -30.4813 -11.8263 -11.8263 -11.4689 -11.4689 -11.4361 -11.4361 0.8507 0.8507 2.9765 2.9765 4.4832 4.4832 4.8409 4.8409 6.1332 6.1332 6.1602 6.1602 6.2625 6.2625 6.3224 6.3224 6.4320 6.4320 6.5135 6.5135 6.5992 6.5992 6.7909 6.7909 6.8344 6.8344 7.5659 7.5659 7.7750 7.7750 8.1981 8.1981 8.8488 8.8488 12.2017 12.2017 12.9957 12.9957 13.7062 13.7062 k = 0.4474 0.2592 0.8651 ( 2896 PWs) bands (ev): -30.4813 -30.4813 -11.8261 -11.8261 -11.4686 -11.4686 -11.4361 -11.4361 0.8514 0.8514 2.9446 2.9446 4.4886 4.4886 4.8678 4.8678 6.1348 6.1348 6.1534 6.1534 6.2631 6.2631 6.3269 6.3269 6.4303 6.4303 6.5092 6.5092 6.5688 6.5688 6.7854 6.7854 6.8340 6.8340 7.5900 7.5900 7.7780 7.7780 8.2182 8.2182 8.8882 8.8882 12.2541 12.2541 12.9558 12.9558 13.6277 13.6277 k = 0.4605 0.2668 0.8563 ( 2896 PWs) bands (ev): -30.4814 -30.4814 -11.8260 -11.8260 -11.4683 -11.4683 -11.4361 -11.4361 0.8520 0.8520 2.9116 2.9116 4.4952 4.4952 4.8939 4.8939 6.1365 6.1365 6.1460 6.1460 6.2639 6.2639 6.3326 6.3326 6.4247 6.4247 6.4989 6.4989 6.5480 6.5480 6.7798 6.7798 6.8336 6.8336 7.6165 7.6165 7.7813 7.7813 8.2407 8.2407 8.9241 8.9241 12.2987 12.2987 12.9244 12.9244 13.5610 13.5610 k = 0.4737 0.2745 0.8475 ( 2896 PWs) bands (ev): -30.4814 -30.4814 -11.8258 -11.8258 -11.4680 -11.4680 -11.4361 -11.4361 0.8526 0.8526 2.8778 2.8778 4.5034 4.5034 4.9188 4.9188 6.1366 6.1366 6.1397 6.1397 6.2648 6.2648 6.3392 6.3392 6.4128 6.4128 6.4859 6.4859 6.5373 6.5373 6.7741 6.7741 6.8332 6.8332 7.6439 7.6439 7.7853 7.7853 8.2663 8.2663 8.9560 8.9560 12.3325 12.3325 12.9018 12.9018 13.5097 13.5097 k = 0.4868 0.2821 0.8387 ( 2896 PWs) bands (ev): -30.4815 -30.4815 -11.8256 -11.8256 -11.4676 -11.4676 -11.4361 -11.4361 0.8530 0.8530 2.8435 2.8435 4.5129 4.5129 4.9423 4.9423 6.1288 6.1288 6.1405 6.1405 6.2658 6.2658 6.3460 6.3460 6.3943 6.3943 6.4770 6.4770 6.5314 6.5314 6.7685 6.7685 6.8328 6.8328 7.6706 7.6706 7.7906 7.7906 8.2955 8.2955 8.9836 8.9836 12.3523 12.3523 12.8884 12.8884 13.4764 13.4764 k = 0.5000 0.2897 0.8299 ( 2890 PWs) bands (ev): -30.4815 -30.4815 -11.8253 -11.8253 -11.4672 -11.4672 -11.4361 -11.4361 0.8530 0.8530 2.8092 2.8092 4.5238 4.5238 4.9639 4.9639 6.1194 6.1194 6.1418 6.1418 6.2668 6.2668 6.3488 6.3488 6.3769 6.3769 6.4735 6.4735 6.5270 6.5270 6.7629 6.7629 6.8325 6.8325 7.6947 7.6947 7.7979 7.7979 8.3291 8.3291 9.0066 9.0066 12.3562 12.3562 12.8845 12.8845 13.4632 13.4632 k = 0.5000 0.2897 0.8299 ( 2890 PWs) bands (ev): -30.4815 -30.4815 -11.8253 -11.8253 -11.4672 -11.4672 -11.4361 -11.4361 0.8530 0.8530 2.8092 2.8092 4.5238 4.5238 4.9639 4.9639 6.1194 6.1194 6.1418 6.1418 6.2668 6.2668 6.3488 6.3488 6.3769 6.3769 6.4735 6.4735 6.5270 6.5270 6.7629 6.7629 6.8325 6.8325 7.6947 7.6947 7.7979 7.7979 8.3291 8.3291 9.0066 9.0066 12.3562 12.3562 12.8845 12.8845 13.4632 13.4632 k = 0.5000 0.2897 0.8119 ( 2894 PWs) bands (ev): -30.4816 -30.4816 -11.8249 -11.8249 -11.4664 -11.4664 -11.4361 -11.4361 0.8525 0.8525 2.7377 2.7377 4.5488 4.5488 5.0060 5.0060 6.0963 6.0963 6.1435 6.1435 6.2683 6.2683 6.3389 6.3389 6.3597 6.3597 6.4705 6.4705 6.5183 6.5183 6.7516 6.7516 6.8318 6.8318 7.7319 7.7319 7.8250 7.8250 8.4060 8.4060 9.0506 9.0506 12.3474 12.3474 12.8863 12.8863 13.4515 13.4515 k = 0.5000 0.2897 0.7938 ( 2890 PWs) bands (ev): -30.4817 -30.4817 -11.8244 -11.8244 -11.4655 -11.4655 -11.4361 -11.4361 0.8515 0.8515 2.6642 2.6642 4.5763 4.5763 5.0476 5.0476 6.0672 6.0672 6.1438 6.1438 6.2698 6.2698 6.3266 6.3266 6.3516 6.3516 6.4676 6.4676 6.5097 6.5097 6.7408 6.7408 6.8311 6.8311 7.7515 7.7515 7.8722 7.8722 8.4897 8.4897 9.0982 9.0982 12.3386 12.3386 12.8886 12.8886 13.4287 13.4287 k = 0.5000 0.2897 0.7758 ( 2898 PWs) bands (ev): -30.4819 -30.4819 -11.8238 -11.8238 -11.4646 -11.4646 -11.4362 -11.4362 0.8501 0.8501 2.5892 2.5892 4.6062 4.6062 5.0883 5.0883 6.0327 6.0327 6.1427 6.1427 6.2713 6.2713 6.3177 6.3177 6.3467 6.3467 6.4643 6.4643 6.5016 6.5016 6.7308 6.7308 6.8305 6.8305 7.7611 7.7611 7.9315 7.9315 8.5798 8.5798 9.1492 9.1492 12.3302 12.3302 12.8914 12.8914 13.3948 13.3948 k = 0.5000 0.2897 0.7577 ( 2902 PWs) bands (ev): -30.4820 -30.4820 -11.8233 -11.8233 -11.4635 -11.4635 -11.4362 -11.4362 0.8481 0.8481 2.5131 2.5131 4.6386 4.6386 5.1278 5.1278 5.9940 5.9940 6.1404 6.1404 6.2728 6.2728 6.3126 6.3126 6.3432 6.3432 6.4608 6.4608 6.4943 6.4943 6.7220 6.7220 6.8297 6.8297 7.7670 7.7670 7.9965 7.9965 8.6761 8.6761 9.2034 9.2034 12.3223 12.3223 12.8947 12.8947 13.3506 13.3506 k = 0.5000 0.2897 0.7397 ( 2902 PWs) bands (ev): -30.4821 -30.4821 -11.8226 -11.8226 -11.4624 -11.4624 -11.4362 -11.4362 0.8454 0.8454 2.4365 2.4365 4.6733 4.6733 5.1659 5.1659 5.9523 5.9523 6.1372 6.1372 6.2740 6.2740 6.3093 6.3093 6.3417 6.3417 6.4573 6.4573 6.4883 6.4883 6.7147 6.7147 6.8291 6.8291 7.7714 7.7714 8.0649 8.0649 8.7784 8.7784 9.2608 9.2608 12.3152 12.3152 12.8987 12.8987 13.2976 13.2976 k = 0.5000 0.2897 0.7217 ( 2910 PWs) bands (ev): -30.4823 -30.4823 -11.8220 -11.8220 -11.4612 -11.4612 -11.4362 -11.4362 0.8420 0.8420 2.3597 2.3597 4.7102 4.7102 5.2024 5.2024 5.9089 5.9089 6.1335 6.1335 6.2741 6.2741 6.3055 6.3055 6.3430 6.3430 6.4540 6.4540 6.4840 6.4840 6.7090 6.7090 6.8286 6.8286 7.7753 7.7753 8.1356 8.1356 8.8862 8.8862 9.3210 9.3210 12.3090 12.3090 12.9034 12.9034 13.2373 13.2373 k = 0.5000 0.2897 0.7036 ( 2914 PWs) bands (ev): -30.4824 -30.4824 -11.8213 -11.8213 -11.4600 -11.4600 -11.4362 -11.4362 0.8377 0.8377 2.2829 2.2829 4.7495 4.7495 5.2372 5.2372 5.8647 5.8647 6.1298 6.1298 6.2721 6.2721 6.3004 6.3004 6.3469 6.3469 6.4513 6.4513 6.4824 6.4824 6.7050 6.7050 6.8282 6.8282 7.7788 7.7788 8.2081 8.2081 8.9992 8.9992 9.3841 9.3841 12.3040 12.3040 12.9087 12.9087 13.1714 13.1714 k = 0.5000 0.2897 0.6856 ( 2910 PWs) bands (ev): -30.4826 -30.4826 -11.8206 -11.8206 -11.4586 -11.4586 -11.4362 -11.4362 0.8326 0.8326 2.2065 2.2065 4.7909 4.7909 5.2704 5.2704 5.8205 5.8205 6.1264 6.1264 6.2677 6.2677 6.2939 6.2939 6.3524 6.3524 6.4497 6.4497 6.4843 6.4843 6.7028 6.7028 6.8280 6.8280 7.7823 7.7823 8.2823 8.2823 9.1170 9.1170 9.4499 9.4499 12.3005 12.3005 12.9148 12.9148 13.1014 13.1014 k = 0.5000 0.2897 0.6675 ( 2902 PWs) bands (ev): -30.4827 -30.4827 -11.8198 -11.8198 -11.4572 -11.4572 -11.4362 -11.4362 0.8264 0.8264 2.1306 2.1306 4.8345 4.8345 5.3017 5.3017 5.7768 5.7768 6.1233 6.1233 6.2607 6.2607 6.2858 6.2858 6.3579 6.3579 6.4495 6.4495 6.4907 6.4907 6.7022 6.7022 6.8280 6.8280 7.7859 7.7859 8.3578 8.3578 9.2394 9.2394 9.5182 9.5182 12.2985 12.2985 12.9215 12.9215 13.0286 13.0286 k = 0.5000 0.2897 0.6495 ( 2898 PWs) bands (ev): -30.4829 -30.4829 -11.8189 -11.8189 -11.4557 -11.4557 -11.4361 -11.4361 0.8192 0.8192 2.0556 2.0556 4.8802 4.8802 5.3314 5.3314 5.7339 5.7339 6.1207 6.1207 6.2515 6.2515 6.2764 6.2764 6.3622 6.3622 6.4509 6.4509 6.5022 6.5022 6.7031 6.7031 6.8283 6.8283 7.7895 7.7895 8.4346 8.4346 9.3658 9.3658 9.5890 9.5890 12.2984 12.2984 12.9286 12.9286 12.9541 12.9541 k = 0.5000 0.2897 0.6314 ( 2902 PWs) bands (ev): -30.4831 -30.4831 -11.8181 -11.8181 -11.4542 -11.4542 -11.4361 -11.4361 0.8110 0.8110 1.9815 1.9815 4.9278 4.9278 5.3594 5.3594 5.6921 5.6921 6.1186 6.1186 6.2403 6.2403 6.2656 6.2656 6.3646 6.3646 6.4544 6.4544 6.5186 6.5186 6.7053 6.7053 6.8289 6.8289 7.7933 7.7933 8.5124 8.5124 9.4959 9.4959 9.6623 9.6623 12.3004 12.3004 12.8783 12.8783 12.9368 12.9368 k = 0.5000 0.2897 0.6134 ( 2894 PWs) bands (ev): -30.4833 -30.4833 -11.8173 -11.8173 -11.4527 -11.4527 -11.4360 -11.4360 0.8016 0.8016 1.9085 1.9085 4.9773 4.9773 5.3857 5.3857 5.6517 5.6517 6.1170 6.1170 6.2276 6.2276 6.2540 6.2540 6.3651 6.3651 6.4600 6.4600 6.5398 6.5398 6.7087 6.7087 6.8300 6.8300 7.7973 7.7973 8.5911 8.5911 9.6290 9.6290 9.7380 9.7380 12.3047 12.3047 12.8029 12.8029 12.9448 12.9448 k = 0.5000 0.2897 0.5954 ( 2898 PWs) bands (ev): -30.4835 -30.4835 -11.8164 -11.8164 -11.4511 -11.4511 -11.4359 -11.4359 0.7910 0.7910 1.8367 1.8367 5.0286 5.0286 5.4104 5.4104 5.6130 5.6130 6.1158 6.1158 6.2133 6.2133 6.2421 6.2421 6.3639 6.3639 6.4674 6.4674 6.5650 6.5650 6.7129 6.7129 6.8317 6.8317 7.8013 7.8013 8.6706 8.6706 9.7641 9.7641 9.8168 9.8168 12.3115 12.3115 12.7281 12.7281 12.9528 12.9528 k = 0.5000 0.2897 0.5773 ( 2902 PWs) bands (ev): -30.4837 -30.4837 -11.8155 -11.8155 -11.4495 -11.4495 -11.4359 -11.4359 0.7794 0.7794 1.7663 1.7663 5.0815 5.0815 5.4332 5.4332 5.5762 5.5762 6.1147 6.1147 6.1978 6.1978 6.2304 6.2304 6.3615 6.3615 6.4765 6.4765 6.5936 6.5936 6.7180 6.7180 6.8341 6.8341 7.8056 7.8056 8.7505 8.7505 9.8869 9.8869 9.9122 9.9122 12.3213 12.3213 12.6547 12.6547 12.9603 12.9603 k = 0.5000 0.2897 0.5593 ( 2898 PWs) bands (ev): -30.4838 -30.4838 -11.8146 -11.8146 -11.4478 -11.4478 -11.4357 -11.4357 0.7665 0.7665 1.6974 1.6974 5.1358 5.1358 5.4535 5.4535 5.5424 5.5424 6.1135 6.1135 6.1813 6.1813 6.2194 6.2194 6.3584 6.3584 6.4871 6.4871 6.6253 6.6253 6.7240 6.7240 6.8373 6.8373 7.8101 7.8101 8.8308 8.8308 9.9736 9.9736 10.0475 10.0475 12.3343 12.3343 12.5833 12.5833 12.9663 12.9663 k = 0.5000 0.2897 0.5412 ( 2898 PWs) bands (ev): -30.4840 -30.4840 -11.8137 -11.8137 -11.4461 -11.4461 -11.4356 -11.4356 0.7526 0.7526 1.6300 1.6300 5.1913 5.1913 5.4675 5.4675 5.5157 5.5157 6.1116 6.1116 6.1644 6.1644 6.2097 6.2097 6.3549 6.3549 6.4986 6.4986 6.6591 6.6591 6.7310 6.7310 6.8417 6.8417 7.8149 7.8149 8.9111 8.9111 10.0579 10.0579 10.1885 10.1885 12.3509 12.3509 12.5143 12.5143 12.9697 12.9697 k = 0.5000 0.2897 0.5232 ( 2902 PWs) bands (ev): -30.4842 -30.4842 -11.8128 -11.8128 -11.4444 -11.4444 -11.4355 -11.4355 0.7375 0.7375 1.5643 1.5643 5.2475 5.2475 5.4599 5.4599 5.5116 5.5116 6.1080 6.1080 6.1474 6.1474 6.2017 6.2017 6.3512 6.3512 6.5110 6.5110 6.6933 6.6933 6.7401 6.7401 6.8474 6.8474 7.8199 7.8199 8.9912 8.9912 10.1436 10.1436 10.3304 10.3304 12.3715 12.3715 12.4484 12.4484 12.9685 12.9685 k = 0.5000 0.2897 0.5052 ( 2906 PWs) bands (ev): -30.4844 -30.4844 -11.8118 -11.8118 -11.4427 -11.4427 -11.4353 -11.4353 0.7214 0.7214 1.5004 1.5004 5.3031 5.3031 5.4370 5.4370 5.5252 5.5252 6.1017 6.1017 6.1313 6.1313 6.1959 6.1959 6.3478 6.3478 6.5238 6.5238 6.7221 6.7221 6.7567 6.7567 6.8552 6.8552 7.8252 7.8252 9.0706 9.0706 10.2310 10.2310 10.4724 10.4724 12.3861 12.3861 12.3968 12.3968 12.9593 12.9593 k = 0.5000 0.2897 0.4871 ( 2906 PWs) bands (ev): -30.4846 -30.4846 -11.8109 -11.8109 -11.4410 -11.4410 -11.4351 -11.4351 0.7044 0.7044 1.4382 1.4382 5.3513 5.3513 5.4200 5.4200 5.5418 5.5418 6.0916 6.0916 6.1169 6.1169 6.1927 6.1927 6.3448 6.3448 6.5370 6.5370 6.7380 6.7380 6.7868 6.7868 6.8665 6.8665 7.8308 7.8308 9.1491 9.1491 10.3200 10.3200 10.6134 10.6134 12.3280 12.3280 12.4273 12.4273 12.9380 12.9380 k = 0.5000 0.2897 0.4691 ( 2898 PWs) bands (ev): -30.4848 -30.4848 -11.8099 -11.8099 -11.4393 -11.4393 -11.4347 -11.4347 0.6865 0.6865 1.3779 1.3779 5.3606 5.3606 5.4428 5.4428 5.5590 5.5590 6.0778 6.0778 6.1044 6.1044 6.1917 6.1917 6.3425 6.3425 6.5504 6.5504 6.7480 6.7480 6.8198 6.8198 6.8851 6.8851 7.8368 7.8368 9.2262 9.2262 10.4106 10.4106 10.7526 10.7526 12.2747 12.2747 12.4637 12.4637 12.8989 12.8989 k = 0.5000 0.2897 0.4510 ( 2898 PWs) bands (ev): -30.4850 -30.4850 -11.8090 -11.8090 -11.4378 -11.4378 -11.4342 -11.4342 0.6678 0.6678 1.3196 1.3196 5.3415 5.3415 5.4945 5.4945 5.5769 5.5769 6.0618 6.0618 6.0929 6.0929 6.1924 6.1924 6.3410 6.3410 6.5635 6.5635 6.7568 6.7568 6.8452 6.8452 6.9166 6.9166 7.8432 7.8432 9.3013 9.3013 10.5028 10.5028 10.8888 10.8888 12.2267 12.2267 12.5068 12.5068 12.8378 12.8378 k = 0.5000 0.2897 0.4330 ( 2898 PWs) bands (ev): -30.4852 -30.4852 -11.8081 -11.8081 -11.4367 -11.4367 -11.4334 -11.4334 0.6484 0.6484 1.2632 1.2632 5.3188 5.3188 5.5470 5.5470 5.5985 5.5985 6.0449 6.0449 6.0815 6.0815 6.1941 6.1941 6.3406 6.3406 6.5761 6.5761 6.7659 6.7659 6.8626 6.8626 6.9601 6.9601 7.8499 7.8499 9.3740 9.3740 10.5965 10.5965 11.0210 11.0210 12.1846 12.1846 12.5575 12.5575 12.7540 12.7540 k = 0.5000 0.2897 0.4149 ( 2898 PWs) bands (ev): -30.4854 -30.4854 -11.8071 -11.8071 -11.4359 -11.4359 -11.4322 -11.4322 0.6285 0.6285 1.2088 1.2088 5.2962 5.2962 5.5850 5.5850 5.6348 5.6348 6.0279 6.0279 6.0701 6.0701 6.1963 6.1963 6.3415 6.3415 6.5878 6.5878 6.7760 6.7760 6.8767 6.8767 7.0109 7.0109 7.8572 7.8572 9.4436 9.4436 10.6916 10.6916 11.1479 11.1479 12.1491 12.1491 12.6165 12.6165 12.6510 12.6510 k = 0.5000 0.2897 0.3969 ( 2898 PWs) bands (ev): -30.4856 -30.4856 -11.8062 -11.8062 -11.4355 -11.4355 -11.4306 -11.4306 0.6081 0.6081 1.1565 1.1565 5.2746 5.2746 5.6062 5.6062 5.6874 5.6874 6.0111 6.0111 6.0587 6.0587 6.1984 6.1984 6.3439 6.3439 6.5984 6.5984 6.7874 6.7874 6.8899 6.8899 7.0659 7.0659 7.8650 7.8650 9.5094 9.5094 10.7880 10.7880 11.2686 11.2686 12.1209 12.1209 12.5337 12.5337 12.6849 12.6849 k = 0.5000 0.2897 0.3789 ( 2898 PWs) bands (ev): -30.4858 -30.4858 -11.8053 -11.8053 -11.4351 -11.4351 -11.4290 -11.4290 0.5874 0.5874 1.1064 1.1064 5.2539 5.2539 5.6217 5.6217 5.7441 5.7441 5.9948 5.9948 6.0476 6.0476 6.2001 6.2001 6.3479 6.3479 6.6077 6.6077 6.8004 6.8004 6.9033 6.9033 7.1241 7.1241 7.8734 7.8734 9.5709 9.5709 10.8856 10.8856 11.3821 11.3821 12.1004 12.1004 12.4070 12.4070 12.7631 12.7631 k = 0.5000 0.2897 0.3608 ( 2900 PWs) bands (ev): -30.4860 -30.4860 -11.8045 -11.8045 -11.4349 -11.4349 -11.4273 -11.4273 0.5665 0.5665 1.0583 1.0583 5.2345 5.2345 5.6352 5.6352 5.8005 5.8005 5.9793 5.9793 6.0370 6.0370 6.2012 6.2012 6.3535 6.3535 6.6154 6.6154 6.8151 6.8151 6.9176 6.9176 7.1849 7.1849 7.8825 7.8825 9.6275 9.6275 10.9843 10.9843 11.4876 11.4876 12.0882 12.0882 12.2744 12.2744 12.8513 12.8513 k = 0.5000 0.2897 0.3428 ( 2904 PWs) bands (ev): -30.4862 -30.4862 -11.8036 -11.8036 -11.4346 -11.4346 -11.4257 -11.4257 0.5456 0.5456 1.0124 1.0124 5.2162 5.2162 5.6476 5.6476 5.8543 5.8543 5.9648 5.9648 6.0275 6.0275 6.2018 6.2018 6.3606 6.3606 6.6215 6.6215 6.8312 6.8312 6.9330 6.9330 7.2480 7.2480 7.8924 7.8924 9.6784 9.6784 11.0839 11.0839 11.5850 11.5850 12.0842 12.0842 12.1389 12.1389 12.9492 12.9492 k = 0.5000 0.2897 0.3247 ( 2904 PWs) bands (ev): -30.4863 -30.4863 -11.8028 -11.8028 -11.4344 -11.4344 -11.4240 -11.4240 0.5248 0.5248 0.9688 0.9688 5.1991 5.1991 5.6591 5.6591 5.9011 5.9011 5.9536 5.9536 6.0209 6.0209 6.2022 6.2022 6.3689 6.3689 6.6260 6.6260 6.8485 6.8485 6.9503 6.9503 7.3129 7.3129 7.9032 7.9032 9.7233 9.7233 11.1844 11.1844 11.6744 11.6744 12.0000 12.0000 12.0909 12.0909 13.0561 13.0561 k = 0.5000 0.2897 0.3067 ( 2902 PWs) bands (ev): -30.4865 -30.4865 -11.8020 -11.8020 -11.4342 -11.4342 -11.4224 -11.4224 0.5042 0.5042 0.9273 0.9273 5.1830 5.1830 5.6700 5.6700 5.9225 5.9225 5.9576 5.9576 6.0230 6.0230 6.2028 6.2028 6.3783 6.3783 6.6290 6.6290 6.8662 6.8662 6.9698 6.9698 7.3795 7.3795 7.9151 7.9151 9.7619 9.7619 11.2854 11.2854 11.7555 11.7555 11.8630 11.8630 12.1048 12.1048 13.1702 13.1702 k = 0.5000 0.2897 0.2887 ( 2898 PWs) bands (ev): -30.4867 -30.4867 -11.8012 -11.8012 -11.4340 -11.4340 -11.4207 -11.4207 0.4839 0.4839 0.8881 0.8881 5.1681 5.1681 5.6802 5.6802 5.9159 5.9159 5.9676 5.9676 6.0442 6.0442 6.2044 6.2044 6.3885 6.3885 6.6306 6.6306 6.8834 6.8834 6.9922 6.9922 7.4474 7.4474 7.9281 7.9281 9.7939 9.7939 11.3869 11.3869 11.7225 11.7225 11.8340 11.8340 12.1272 12.1272 13.2893 13.2893 k = 0.5000 0.2897 0.2706 ( 2898 PWs) bands (ev): -30.4868 -30.4868 -11.8004 -11.8004 -11.4338 -11.4338 -11.4192 -11.4192 0.4642 0.4642 0.8512 0.8512 5.1543 5.1543 5.6897 5.6897 5.9052 5.9052 5.9654 5.9654 6.0771 6.0771 6.2087 6.2087 6.3991 6.3991 6.6310 6.6310 6.8996 6.8996 7.0177 7.0177 7.5162 7.5162 7.9426 7.9426 9.8195 9.8195 11.4882 11.4882 11.5874 11.5874 11.9030 11.9030 12.1571 12.1571 13.4094 13.4094 k = 0.5000 0.2897 0.2526 ( 2898 PWs) bands (ev): -30.4870 -30.4870 -11.7997 -11.7997 -11.4336 -11.4336 -11.4177 -11.4177 0.4451 0.4451 0.8166 0.8166 5.1415 5.1415 5.6986 5.6986 5.8946 5.8946 5.9588 5.9588 6.1072 6.1072 6.2184 6.2184 6.4102 6.4102 6.6304 6.6304 6.9144 6.9144 7.0463 7.0463 7.5855 7.5855 7.9585 7.9585 9.8388 9.8388 11.4524 11.4524 11.5905 11.5905 11.9682 11.9682 12.1929 12.1929 13.5241 13.5241 k = 0.5000 0.2897 0.2345 ( 2898 PWs) bands (ev): -30.4871 -30.4871 -11.7991 -11.7991 -11.4334 -11.4334 -11.4163 -11.4163 0.4267 0.4267 0.7843 0.7843 5.1297 5.1297 5.7069 5.7069 5.8847 5.8847 5.9509 5.9509 6.1277 6.1277 6.2362 6.2362 6.4213 6.4213 6.6288 6.6288 6.9277 6.9277 7.0773 7.0773 7.6550 7.6550 7.9762 7.9762 9.8524 9.8524 11.3211 11.3211 11.6914 11.6914 12.0297 12.0297 12.2326 12.2326 13.6167 13.6173 k = 0.5000 0.2897 0.2165 ( 2894 PWs) bands (ev): -30.4872 -30.4872 -11.7984 -11.7984 -11.4332 -11.4332 -11.4150 -11.4150 0.4092 0.4092 0.7544 0.7544 5.1189 5.1189 5.7143 5.7143 5.8757 5.8757 5.9428 5.9428 6.1384 6.1384 6.2616 6.2616 6.4324 6.4324 6.6264 6.6264 6.9396 6.9396 7.1104 7.1104 7.7240 7.7240 7.9958 7.9958 9.8607 9.8607 11.1931 11.1931 11.7914 11.7914 12.0884 12.0884 12.2734 12.2734 13.5254 13.5254 k = 0.5000 0.2897 0.1985 ( 2894 PWs) bands (ev): -30.4873 -30.4873 -11.7978 -11.7978 -11.4330 -11.4330 -11.4137 -11.4137 0.3927 0.3927 0.7267 0.7267 5.1090 5.1090 5.7210 5.7210 5.8678 5.8678 5.9348 5.9348 6.1425 6.1425 6.2906 6.2906 6.4433 6.4433 6.6232 6.6232 6.9503 6.9503 7.1444 7.1444 7.7920 7.7920 8.0172 8.0172 9.8644 9.8644 11.0691 11.0691 11.8900 11.8900 12.1447 12.1447 12.3116 12.3116 13.4469 13.4469 k = 0.5000 0.2897 0.1804 ( 2892 PWs) bands (ev): -30.4875 -30.4875 -11.7973 -11.7973 -11.4328 -11.4328 -11.4126 -11.4126 0.3773 0.3773 0.7015 0.7015 5.1000 5.1000 5.7268 5.7268 5.8610 5.8610 5.9271 5.9271 6.1433 6.1433 6.3201 6.3201 6.4538 6.4538 6.6193 6.6193 6.9598 6.9598 7.1784 7.1784 7.8583 7.8583 8.0408 8.0408 9.8642 9.8642 10.9499 10.9499 11.9865 11.9865 12.1992 12.1992 12.3428 12.3428 13.3891 13.3891 k = 0.5000 0.2897 0.1624 ( 2888 PWs) bands (ev): -30.4876 -30.4876 -11.7968 -11.7968 -11.4327 -11.4327 -11.4115 -11.4115 0.3630 0.3630 0.6786 0.6786 5.0919 5.0919 5.7318 5.7318 5.8555 5.8555 5.9198 5.9198 6.1424 6.1424 6.3484 6.3484 6.4638 6.4638 6.6147 6.6147 6.9683 6.9683 7.2115 7.2115 7.9223 7.9223 8.0661 8.0661 9.8608 9.8608 10.8365 10.8365 12.0801 12.0801 12.2520 12.2520 12.3632 12.3632 13.3553 13.3553 k = 0.5000 0.2897 0.1443 ( 2882 PWs) bands (ev): -30.4876 -30.4876 -11.7963 -11.7963 -11.4325 -11.4325 -11.4105 -11.4105 0.3500 0.3500 0.6581 0.6581 5.0848 5.0848 5.7359 5.7359 5.8514 5.8514 5.9129 5.9129 6.1408 6.1408 6.3749 6.3749 6.4732 6.4732 6.6094 6.6094 6.9758 6.9758 7.2429 7.2429 7.9832 7.9832 8.0931 8.0931 9.8551 9.8551 10.7296 10.7296 12.1698 12.1698 12.3026 12.3026 12.3709 12.3709 13.3471 13.3471 k = 0.5000 0.2897 0.1263 ( 2886 PWs) bands (ev): -30.4877 -30.4877 -11.7959 -11.7959 -11.4324 -11.4324 -11.4096 -11.4096 0.3383 0.3383 0.6400 0.6400 5.0785 5.0785 5.7390 5.7390 5.8484 5.8484 5.9064 5.9064 6.1387 6.1387 6.3993 6.3993 6.4820 6.4820 6.6034 6.6034 6.9824 6.9824 7.2718 7.2718 8.0401 8.0401 8.1212 8.1212 9.8476 9.8476 10.6304 10.6304 12.2541 12.2541 12.3448 12.3448 12.3726 12.3726 13.3627 13.3627 k = 0.5000 0.2897 0.1082 ( 2890 PWs) bands (ev): -30.4878 -30.4878 -11.7956 -11.7956 -11.4323 -11.4323 -11.4089 -11.4089 0.3281 0.3281 0.6243 0.6243 5.0729 5.0729 5.7414 5.7414 5.8466 5.8466 5.9004 5.9004 6.1366 6.1366 6.4212 6.4212 6.4902 6.4902 6.5968 6.5968 6.9881 6.9881 7.2977 7.2977 8.0922 8.0922 8.1495 8.1495 9.8393 9.8393 10.5400 10.5400 12.3238 12.3238 12.3502 12.3502 12.4075 12.4075 13.3969 13.3969 k = 0.5000 0.2897 0.0902 ( 2890 PWs) bands (ev): -30.4879 -30.4879 -11.7953 -11.7953 -11.4322 -11.4322 -11.4082 -11.4082 0.3193 0.3193 0.6109 0.6109 5.0683 5.0683 5.7429 5.7429 5.8458 5.8458 5.8950 5.8950 6.1346 6.1346 6.4407 6.4407 6.4980 6.4980 6.5895 6.5895 6.9930 6.9930 7.3200 7.3200 8.1383 8.1383 8.1771 8.1771 9.8306 9.8306 10.4599 10.4599 12.3155 12.3155 12.4077 12.4077 12.4521 12.4521 13.3584 13.3584 k = 0.5000 0.2897 0.0722 ( 2898 PWs) bands (ev): -30.4879 -30.4879 -11.7951 -11.7951 -11.4322 -11.4322 -11.4077 -11.4077 0.3120 0.3120 0.6000 0.6000 5.0644 5.0644 5.7439 5.7439 5.8459 5.8459 5.8902 5.8902 6.1329 6.1329 6.4574 6.4574 6.5054 6.5054 6.5814 6.5814 6.9969 6.9969 7.3385 7.3385 8.1777 8.1777 8.2026 8.2026 9.8225 9.8225 10.3914 10.3914 12.2920 12.2920 12.4683 12.4683 12.4945 12.4945 13.3047 13.3047 k = 0.5000 0.2897 0.0541 ( 2898 PWs) bands (ev): -30.4880 -30.4880 -11.7949 -11.7949 -11.4321 -11.4321 -11.4073 -11.4073 0.3063 0.3063 0.5916 0.5916 5.0615 5.0615 5.7445 5.7445 5.8465 5.8465 5.8860 5.8860 6.1314 6.1314 6.4708 6.4708 6.5132 6.5132 6.5729 6.5729 7.0000 7.0000 7.3530 7.3530 8.2093 8.2093 8.2247 8.2247 9.8153 9.8153 10.3360 10.3360 12.2697 12.2697 12.5180 12.5180 12.5324 12.5324 13.2583 13.2583 k = 0.5000 0.2897 0.0361 ( 2902 PWs) bands (ev): -30.4880 -30.4880 -11.7948 -11.7948 -11.4321 -11.4321 -11.4070 -11.4070 0.3022 0.3022 0.5855 0.5855 5.0594 5.0594 5.7449 5.7449 5.8473 5.8473 5.8828 5.8828 6.1303 6.1303 6.4804 6.4804 6.5216 6.5216 6.5638 6.5638 7.0021 7.0021 7.3634 7.3634 8.2323 8.2323 8.2420 8.2420 9.8098 9.8098 10.2952 10.2952 12.2519 12.2519 12.5543 12.5543 12.5635 12.5635 13.2217 13.2217 k = 0.5000 0.2897 0.0180 ( 2912 PWs) bands (ev): -30.4880 -30.4880 -11.7947 -11.7947 -11.4320 -11.4320 -11.4069 -11.4069 0.2998 0.2998 0.5819 0.5819 5.0582 5.0582 5.7450 5.7450 5.8480 5.8480 5.8806 5.8806 6.1296 6.1296 6.4859 6.4859 6.5305 6.5305 6.5546 6.5546 7.0031 7.0031 7.3697 7.3697 8.2460 8.2460 8.2533 8.2533 9.8063 9.8063 10.2702 10.2702 12.2405 12.2405 12.5762 12.5762 12.5844 12.5844 13.1980 13.1980 k = 0.5000 0.2897-0.0000 ( 2908 PWs) bands (ev): -30.4880 -30.4880 -11.7947 -11.7947 -11.4320 -11.4320 -11.4068 -11.4068 0.2989 0.2989 0.5807 0.5807 5.0578 5.0578 5.7450 5.7450 5.8483 5.8483 5.8799 5.8799 6.1295 6.1295 6.4877 6.4877 6.5363 6.5363 6.5489 6.5489 7.0035 7.0035 7.3718 7.3718 8.2505 8.2505 8.2573 8.2573 9.8051 9.8051 10.2618 10.2618 12.2366 12.2366 12.5835 12.5835 12.5918 12.5918 13.1898 13.1898 k = 0.0000 0.0000 0.9973 ( 2868 PWs) bands (ev): -30.4810 -30.4810 -11.8273 -11.8273 -11.4708 -11.4708 -11.4359 -11.4359 0.8517 0.8517 3.2076 3.2076 4.4118 4.4118 4.6990 4.6990 6.1186 6.1186 6.1815 6.1815 6.2625 6.2625 6.3663 6.3663 6.4726 6.4726 6.5752 6.5752 6.6427 6.6427 6.8334 6.8334 6.8335 6.8335 7.3529 7.3529 7.7708 7.7708 7.9770 7.9770 8.8005 8.8005 12.4074 12.4074 12.8789 12.8789 13.3797 13.3797 k = 0.0156 0.0091 0.9973 ( 2876 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4359 -11.4359 0.8517 0.8517 3.2075 3.2075 4.4123 4.4123 4.6981 4.6981 6.1188 6.1188 6.1816 6.1816 6.2625 6.2625 6.3663 6.3663 6.4720 6.4720 6.5671 6.5671 6.6517 6.6517 6.8327 6.8327 6.8342 6.8342 7.3547 7.3547 7.7704 7.7704 7.9776 7.9776 8.7968 8.7968 12.3923 12.3923 12.8854 12.8854 13.3992 13.3992 k = 0.0312 0.0181 0.9973 ( 2876 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4359 -11.4359 0.8518 0.8518 3.2071 3.2071 4.4140 4.4140 4.6955 4.6955 6.1194 6.1194 6.1818 6.1818 6.2627 6.2627 6.3665 6.3665 6.4700 6.4700 6.5505 6.5505 6.6718 6.6718 6.8320 6.8320 6.8351 6.8351 7.3603 7.3603 7.7697 7.7697 7.9792 7.9792 8.7858 8.7858 12.3506 12.3506 12.9048 12.9048 13.4543 13.4543 k = 0.0469 0.0272 0.9973 ( 2890 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8519 0.8519 3.2065 3.2065 4.4168 4.4168 4.6912 4.6912 6.1202 6.1202 6.1822 6.1822 6.2629 6.2629 6.3667 6.3667 6.4658 6.4658 6.5328 6.5328 6.6956 6.6956 6.8313 6.8313 6.8360 6.8360 7.3696 7.3696 7.7685 7.7685 7.9819 7.9819 8.7677 8.7677 12.2900 12.2900 12.9369 12.9369 13.5368 13.5368 k = 0.0625 0.0362 0.9973 ( 2894 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8521 0.8521 3.2058 3.2058 4.4207 4.4207 4.6854 4.6854 6.1215 6.1215 6.1828 6.1828 6.2634 6.2634 6.3670 6.3670 6.4585 6.4585 6.5178 6.5178 6.7205 6.7205 6.8306 6.8306 6.8371 6.8371 7.3823 7.3823 7.7668 7.7668 7.9858 7.9858 8.7431 8.7431 12.2186 12.2186 12.9811 12.9811 13.6384 13.6384 k = 0.0781 0.0453 0.9973 ( 2890 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8523 0.8523 3.2048 3.2048 4.4257 4.4257 4.6780 4.6780 6.1232 6.1232 6.1834 6.1834 6.2639 6.2639 6.3673 6.3673 6.4473 6.4473 6.5072 6.5072 6.7454 6.7454 6.8301 6.8301 6.8386 6.8386 7.3982 7.3982 7.7645 7.7645 7.9911 7.9911 8.7125 8.7125 12.1423 12.1423 13.0368 13.0368 13.7526 13.7526 k = 0.0938 0.0543 0.9973 ( 2896 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4361 -11.4361 0.8525 0.8525 3.2037 3.2037 4.4317 4.4317 4.6693 4.6693 6.1252 6.1252 6.1841 6.1841 6.2645 6.2645 6.3676 6.3676 6.4329 6.4329 6.5006 6.5006 6.7691 6.7691 6.8296 6.8296 6.8408 6.8408 7.4171 7.4171 7.7615 7.7615 7.9979 7.9979 8.6767 8.6767 12.0654 12.0654 13.1033 13.1033 13.8738 13.8738 k = 0.1094 0.0634 0.9973 ( 2896 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8527 0.8527 3.2025 3.2025 4.4387 4.4387 4.6593 4.6593 6.1276 6.1276 6.1848 6.1848 6.2654 6.2654 6.3676 6.3676 6.4171 6.4171 6.4968 6.4968 6.7904 6.7904 6.8292 6.8292 6.8444 6.8444 7.4385 7.4385 7.7579 7.7579 8.0065 8.0065 8.6365 8.6365 11.9907 11.9907 13.1797 13.1797 13.9975 13.9975 k = 0.1250 0.0724 0.9973 ( 2896 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8530 0.8530 3.2013 3.2013 4.4468 4.4468 4.6483 4.6483 6.1301 6.1301 6.1854 6.1854 6.2665 6.2665 6.3670 6.3670 6.4017 6.4017 6.4944 6.4944 6.8073 6.8073 6.8289 6.8289 6.8511 6.8511 7.4619 7.4619 7.7536 7.7536 8.0170 8.0170 8.5927 8.5927 11.9202 11.9202 13.2651 13.2651 14.1182 14.1182 k = 0.1406 0.0815 0.9973 ( 2886 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8533 0.8533 3.2001 3.2001 4.4557 4.4557 4.6364 4.6364 6.1329 6.1329 6.1860 6.1860 6.2679 6.2679 6.3647 6.3647 6.3886 6.3886 6.4929 6.4929 6.8178 6.8178 6.8289 6.8289 6.8625 6.8625 7.4868 7.4868 7.7485 7.7485 8.0299 8.0299 8.5463 8.5463 11.8553 11.8553 13.3587 13.3587 14.2293 14.2293 k = 0.1562 0.0905 0.9973 ( 2890 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8535 0.8535 3.1990 3.1990 4.4656 4.4656 4.6237 4.6237 6.1358 6.1358 6.1864 6.1864 6.2695 6.2695 6.3581 6.3581 6.3805 6.3805 6.4918 6.4918 6.8229 6.8229 6.8291 6.8291 6.8769 6.8769 7.5124 7.5124 7.7424 7.7424 8.0454 8.0454 8.4980 8.4980 11.7972 11.7972 13.4593 13.4593 14.3230 14.3230 k = 0.1719 0.0996 0.9973 ( 2890 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8537 0.8537 3.1979 3.1979 4.4763 4.4763 4.6104 4.6104 6.1387 6.1387 6.1868 6.1868 6.2715 6.2715 6.3477 6.3477 6.3774 6.3774 6.4910 6.4910 6.8250 6.8250 6.8296 6.8296 6.8917 6.8917 7.5381 7.5381 7.7354 7.7354 8.0640 8.0640 8.4490 8.4490 11.7467 11.7467 13.5661 13.5661 14.3935 14.3935 k = 0.1875 0.1086 0.9973 ( 2894 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8539 0.8539 3.1969 3.1969 4.4877 4.4877 4.5967 4.5967 6.1414 6.1414 6.1869 6.1869 6.2738 6.2738 6.3366 6.3366 6.3765 6.3765 6.4905 6.4905 6.8258 6.8258 6.8301 6.8301 6.9049 6.9049 7.5630 7.5630 7.7274 7.7274 8.0859 8.0859 8.4000 8.4000 11.7045 11.7045 13.6781 13.6781 14.4411 14.4411 k = 0.2031 0.1177 0.9973 ( 2894 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8541 0.8541 3.1962 3.1962 4.4998 4.4998 4.5827 4.5827 6.1438 6.1438 6.1870 6.1870 6.2764 6.2764 6.3264 6.3264 6.3762 6.3762 6.4901 6.4901 6.8260 6.8260 6.8306 6.8306 6.9159 6.9159 7.5860 7.5860 7.7186 7.7186 8.1113 8.1113 8.3521 8.3521 11.6712 11.6712 13.7943 13.7943 14.4709 14.4710 k = 0.2188 0.1267 0.9973 ( 2894 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8542 0.8542 3.1956 3.1956 4.5125 4.5125 4.5687 4.5687 6.1457 6.1457 6.1870 6.1870 6.2793 6.2793 6.3178 6.3178 6.3762 6.3762 6.4898 6.4898 6.8261 6.8261 6.8310 6.8310 6.9240 6.9240 7.6058 7.6058 7.7095 7.7095 8.1402 8.1402 8.3064 8.3064 11.6471 11.6471 13.9136 13.9136 14.4003 14.4003 k = 0.2344 0.1358 0.9973 ( 2886 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8543 0.8543 3.1953 3.1953 4.5255 4.5255 4.5548 4.5548 6.1470 6.1470 6.1870 6.1870 6.2820 6.2820 6.3118 6.3118 6.3762 6.3762 6.4897 6.4897 6.8261 6.8261 6.8312 6.8312 6.9290 6.9290 7.6203 7.6203 7.7018 7.7018 8.1708 8.1708 8.2654 8.2654 11.6325 11.6325 14.0349 14.0349 14.2800 14.2800 k = 0.2500 0.1449 0.9973 ( 2888 PWs) bands (ev): -30.4810 -30.4810 -11.8274 -11.8274 -11.4709 -11.4709 -11.4360 -11.4360 0.8543 0.8543 3.1952 3.1952 4.5362 4.5362 4.5439 4.5439 6.1474 6.1474 6.1869 6.1869 6.2831 6.2831 6.3094 6.3094 6.3763 6.3763 6.4897 6.4897 6.8261 6.8261 6.8313 6.8313 6.9307 6.9307 7.6258 7.6258 7.6985 7.6985 8.1904 8.1904 8.2423 8.2423 11.6276 11.6276 14.1554 14.1554 14.1597 14.1597 Writing output data file CaxSiCux2.save init_run : 0.36s CPU 3.89s WALL ( 1 calls) electrons : 226.62s CPU 230.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 226.62s CPU 230.74s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 358 calls) cegterg : 209.89s CPU 212.54s WALL ( 756 calls) Called by sum_band: Called by *egterg: h_psi : 131.02s CPU 132.58s WALL ( 12791 calls) s_psi : 7.62s CPU 7.97s WALL ( 12791 calls) g_psi : 0.19s CPU 0.22s WALL ( 11677 calls) cdiaghg : 68.52s CPU 69.73s WALL ( 12035 calls) cegterg:over : 5.64s CPU 5.51s WALL ( 11677 calls) cegterg:upda : 4.74s CPU 4.52s WALL ( 11677 calls) cegterg:last : 2.44s CPU 2.58s WALL ( 1817 calls) cdiaghg:chol : 3.80s CPU 3.80s WALL ( 12035 calls) cdiaghg:inve : 2.40s CPU 2.41s WALL ( 12035 calls) cdiaghg:para : 3.87s CPU 3.98s WALL ( 24070 calls) Called by h_psi: h_psi:vloc : 114.18s CPU 115.84s WALL ( 12791 calls) h_psi:vnl : 16.62s CPU 16.54s WALL ( 12791 calls) add_vuspsi : 9.06s CPU 8.89s WALL ( 12791 calls) General routines calbec : 7.51s CPU 7.61s WALL ( 12791 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 107.09s CPU 108.50s WALL ( 1029236 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 716 calls) Parallel routines fft_scatter : 37.84s CPU 38.30s WALL ( 1029259 calls) PWSCF : 4m 2.02s CPU 4m40.78s WALL This run was terminated on: 16:46:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=