Program PWSCF v.5.1.1 starts on 28Oct2015 at 18:21:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbBe2F5.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 96 35 10 6986 1571 230 Max 97 36 11 6991 1603 235 Sum 4629 1721 483 335437 76099 11167 bravais-lattice index = 14 lattice parameter (alat) = 8.7157 a.u. unit-cell volume = 772.6935 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.715746 celldm(2)= 1.006885 celldm(3)= 1.326923 celldm(4)= 0.017903 celldm(5)= 0.012170 celldm(6)= 0.486543 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.489893 0.879672 0.000000 ) a(3) = ( 0.016148 0.018199 1.326700 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.556904 -0.004533 ) b(2) = ( 0.000000 1.136787 -0.015594 ) b(3) = ( 0.000000 0.000000 0.753750 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /home/autes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /home/autes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 F 7.00 18.99840 F( 1.00) Be 4.00 9.01220 Be( 1.00) Rb 9.00 85.46780 Rb( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.2784519 -0.0022663), wk = 0.0034247 k( 2) = ( 0.4871795 -0.2713121 -0.0022082), wk = 0.0034247 k( 3) = ( 0.4743590 -0.2641723 -0.0021501), wk = 0.0034247 k( 4) = ( 0.4615385 -0.2570325 -0.0020920), wk = 0.0034247 k( 5) = ( 0.4487179 -0.2498927 -0.0020339), wk = 0.0034247 k( 6) = ( 0.4358974 -0.2427529 -0.0019758), wk = 0.0034247 k( 7) = ( 0.4230769 -0.2356131 -0.0019176), wk = 0.0034247 k( 8) = ( 0.4102564 -0.2284734 -0.0018595), wk = 0.0034247 k( 9) = ( 0.3974359 -0.2213336 -0.0018014), wk = 0.0034247 k( 10) = ( 0.3846154 -0.2141938 -0.0017433), wk = 0.0034247 k( 11) = ( 0.3717949 -0.2070540 -0.0016852), wk = 0.0034247 k( 12) = ( 0.3589744 -0.1999142 -0.0016271), wk = 0.0034247 k( 13) = ( 0.3461538 -0.1927744 -0.0015690), wk = 0.0034247 k( 14) = ( 0.3333333 -0.1856346 -0.0015109), wk = 0.0034247 k( 15) = ( 0.3205128 -0.1784948 -0.0014528), wk = 0.0034247 k( 16) = ( 0.3076923 -0.1713550 -0.0013947), wk = 0.0034247 k( 17) = ( 0.2948718 -0.1642152 -0.0013365), wk = 0.0034247 k( 18) = ( 0.2820513 -0.1570754 -0.0012784), wk = 0.0034247 k( 19) = ( 0.2692308 -0.1499356 -0.0012203), wk = 0.0034247 k( 20) = ( 0.2564103 -0.1427958 -0.0011622), wk = 0.0034247 k( 21) = ( 0.2435897 -0.1356561 -0.0011041), wk = 0.0034247 k( 22) = ( 0.2307692 -0.1285163 -0.0010460), wk = 0.0034247 k( 23) = ( 0.2179487 -0.1213765 -0.0009879), wk = 0.0034247 k( 24) = ( 0.2051282 -0.1142367 -0.0009298), wk = 0.0034247 k( 25) = ( 0.1923077 -0.1070969 -0.0008717), wk = 0.0034247 k( 26) = ( 0.1794872 -0.0999571 -0.0008135), wk = 0.0034247 k( 27) = ( 0.1666667 -0.0928173 -0.0007554), wk = 0.0034247 k( 28) = ( 0.1538461 -0.0856775 -0.0006973), wk = 0.0034247 k( 29) = ( 0.1410256 -0.0785377 -0.0006392), wk = 0.0034247 k( 30) = ( 0.1282051 -0.0713979 -0.0005811), wk = 0.0034247 k( 31) = ( 0.1153846 -0.0642581 -0.0005230), wk = 0.0034247 k( 32) = ( 0.1025641 -0.0571183 -0.0004649), wk = 0.0034247 k( 33) = ( 0.0897436 -0.0499785 -0.0004068), wk = 0.0034247 k( 34) = ( 0.0769231 -0.0428388 -0.0003487), wk = 0.0034247 k( 35) = ( 0.0641026 -0.0356990 -0.0002906), wk = 0.0034247 k( 36) = ( 0.0512821 -0.0285592 -0.0002324), wk = 0.0034247 k( 37) = ( 0.0384615 -0.0214194 -0.0001743), wk = 0.0034247 k( 38) = ( 0.0256410 -0.0142796 -0.0001162), wk = 0.0034247 k( 39) = ( 0.0128205 -0.0071398 -0.0000581), wk = 0.0034247 k( 40) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 41) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 42) = ( 0.0000000 0.0145742 -0.0001999), wk = 0.0034247 k( 43) = ( 0.0000000 0.0291484 -0.0003998), wk = 0.0034247 k( 44) = ( 0.0000000 0.0437226 -0.0005998), wk = 0.0034247 k( 45) = ( 0.0000000 0.0582968 -0.0007997), wk = 0.0034247 k( 46) = ( 0.0000000 0.0728710 -0.0009996), wk = 0.0034247 k( 47) = ( 0.0000000 0.0874452 -0.0011995), wk = 0.0034247 k( 48) = ( 0.0000000 0.1020194 -0.0013994), wk = 0.0034247 k( 49) = ( 0.0000000 0.1165935 -0.0015993), wk = 0.0034247 k( 50) = ( 0.0000000 0.1311677 -0.0017993), wk = 0.0034247 k( 51) = ( 0.0000000 0.1457419 -0.0019992), wk = 0.0034247 k( 52) = ( 0.0000000 0.1603161 -0.0021991), wk = 0.0034247 k( 53) = ( 0.0000000 0.1748903 -0.0023990), wk = 0.0034247 k( 54) = ( 0.0000000 0.1894645 -0.0025989), wk = 0.0034247 k( 55) = ( 0.0000000 0.2040387 -0.0027988), wk = 0.0034247 k( 56) = ( 0.0000000 0.2186129 -0.0029988), wk = 0.0034247 k( 57) = ( 0.0000000 0.2331871 -0.0031987), wk = 0.0034247 k( 58) = ( 0.0000000 0.2477613 -0.0033986), wk = 0.0034247 k( 59) = ( 0.0000000 0.2623355 -0.0035985), wk = 0.0034247 k( 60) = ( 0.0000000 0.2769097 -0.0037984), wk = 0.0034247 k( 61) = ( 0.0000000 0.2914839 -0.0039983), wk = 0.0034247 k( 62) = ( 0.0000000 0.3060581 -0.0041983), wk = 0.0034247 k( 63) = ( 0.0000000 0.3206323 -0.0043982), wk = 0.0034247 k( 64) = ( 0.0000000 0.3352064 -0.0045981), wk = 0.0034247 k( 65) = ( 0.0000000 0.3497806 -0.0047980), wk = 0.0034247 k( 66) = ( 0.0000000 0.3643548 -0.0049979), wk = 0.0034247 k( 67) = ( 0.0000000 0.3789290 -0.0051978), wk = 0.0034247 k( 68) = ( 0.0000000 0.3935032 -0.0053978), wk = 0.0034247 k( 69) = ( 0.0000000 0.4080774 -0.0055977), wk = 0.0034247 k( 70) = ( 0.0000000 0.4226516 -0.0057976), wk = 0.0034247 k( 71) = ( 0.0000000 0.4372258 -0.0059975), wk = 0.0034247 k( 72) = ( 0.0000000 0.4518000 -0.0061974), wk = 0.0034247 k( 73) = ( 0.0000000 0.4663742 -0.0063973), wk = 0.0034247 k( 74) = ( 0.0000000 0.4809484 -0.0065973), wk = 0.0034247 k( 75) = ( 0.0000000 0.4955226 -0.0067972), wk = 0.0034247 k( 76) = ( 0.0000000 0.5100968 -0.0069971), wk = 0.0034247 k( 77) = ( 0.0000000 0.5246710 -0.0071970), wk = 0.0034247 k( 78) = ( 0.0000000 0.5392451 -0.0073969), wk = 0.0034247 k( 79) = ( 0.0000000 0.5538193 -0.0075969), wk = 0.0034247 k( 80) = ( 0.0000000 0.5683935 -0.0077968), wk = 0.0034247 k( 81) = ( 0.5000000 0.2899416 -0.0100631), wk = 0.0034247 k( 82) = ( 0.4875000 0.2826931 -0.0098115), wk = 0.0034247 k( 83) = ( 0.4750000 0.2754446 -0.0095599), wk = 0.0034247 k( 84) = ( 0.4625000 0.2681960 -0.0093083), wk = 0.0034247 k( 85) = ( 0.4500000 0.2609475 -0.0090568), wk = 0.0034247 k( 86) = ( 0.4375000 0.2536989 -0.0088052), wk = 0.0034247 k( 87) = ( 0.4250000 0.2464504 -0.0085536), wk = 0.0034247 k( 88) = ( 0.4125000 0.2392019 -0.0083020), wk = 0.0034247 k( 89) = ( 0.4000000 0.2319533 -0.0080505), wk = 0.0034247 k( 90) = ( 0.3875000 0.2247048 -0.0077989), wk = 0.0034247 k( 91) = ( 0.3750000 0.2174562 -0.0075473), wk = 0.0034247 k( 92) = ( 0.3625000 0.2102077 -0.0072957), wk = 0.0034247 k( 93) = ( 0.3500000 0.2029591 -0.0070442), wk = 0.0034247 k( 94) = ( 0.3375000 0.1957106 -0.0067926), wk = 0.0034247 k( 95) = ( 0.3250000 0.1884621 -0.0065410), wk = 0.0034247 k( 96) = ( 0.3125000 0.1812135 -0.0062894), wk = 0.0034247 k( 97) = ( 0.3000000 0.1739650 -0.0060378), wk = 0.0034247 k( 98) = ( 0.2875000 0.1667164 -0.0057863), wk = 0.0034247 k( 99) = ( 0.2750000 0.1594679 -0.0055347), wk = 0.0034247 k( 100) = ( 0.2625000 0.1522194 -0.0052831), wk = 0.0034247 k( 101) = ( 0.2500000 0.1449708 -0.0050315), wk = 0.0034247 k( 102) = ( 0.2375000 0.1377223 -0.0047800), wk = 0.0034247 k( 103) = ( 0.2250000 0.1304737 -0.0045284), wk = 0.0034247 k( 104) = ( 0.2125000 0.1232252 -0.0042768), wk = 0.0034247 k( 105) = ( 0.2000000 0.1159767 -0.0040252), wk = 0.0034247 k( 106) = ( 0.1875000 0.1087281 -0.0037737), wk = 0.0034247 k( 107) = ( 0.1750000 0.1014796 -0.0035221), wk = 0.0034247 k( 108) = ( 0.1625000 0.0942310 -0.0032705), wk = 0.0034247 k( 109) = ( 0.1500000 0.0869825 -0.0030189), wk = 0.0034247 k( 110) = ( 0.1375000 0.0797340 -0.0027673), wk = 0.0034247 k( 111) = ( 0.1250000 0.0724854 -0.0025158), wk = 0.0034247 k( 112) = ( 0.1125000 0.0652369 -0.0022642), wk = 0.0034247 k( 113) = ( 0.1000000 0.0579883 -0.0020126), wk = 0.0034247 k( 114) = ( 0.0875000 0.0507398 -0.0017610), wk = 0.0034247 k( 115) = ( 0.0750000 0.0434912 -0.0015095), wk = 0.0034247 k( 116) = ( 0.0625000 0.0362427 -0.0012579), wk = 0.0034247 k( 117) = ( 0.0500000 0.0289942 -0.0010063), wk = 0.0034247 k( 118) = ( 0.0375000 0.0217456 -0.0007547), wk = 0.0034247 k( 119) = ( 0.0250000 0.0144971 -0.0005032), wk = 0.0034247 k( 120) = ( 0.0125000 0.0072485 -0.0002516), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.0144952), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.0289904), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.0434856), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.0579808), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.0724760), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.0869712), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.1014663), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.1159615), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.1304567), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.1449519), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.1594471), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.1739423), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.1884375), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.2029327), wk = 0.0034247 k( 137) = ( 0.0000000 0.0000000 0.2174279), wk = 0.0034247 k( 138) = ( 0.0000000 0.0000000 0.2319231), wk = 0.0034247 k( 139) = ( 0.0000000 0.0000000 0.2464183), wk = 0.0034247 k( 140) = ( 0.0000000 0.0000000 0.2609135), wk = 0.0034247 k( 141) = ( 0.0000000 0.0000000 0.2754087), wk = 0.0034247 k( 142) = ( 0.0000000 0.0000000 0.2899038), wk = 0.0034247 k( 143) = ( 0.0000000 0.0000000 0.3043990), wk = 0.0034247 k( 144) = ( 0.0000000 0.0000000 0.3188942), wk = 0.0034247 k( 145) = ( 0.0000000 0.0000000 0.3333894), wk = 0.0034247 k( 146) = ( 0.0000000 0.0000000 0.3478846), wk = 0.0034247 k( 147) = ( 0.0000000 0.0000000 0.3623798), wk = 0.0034247 k( 148) = ( 0.0000000 0.0000000 0.3768750), wk = 0.0034247 k( 149) = ( 0.5000000 -0.2784519 0.3746087), wk = 0.0034247 k( 150) = ( 0.4893617 -0.2725274 0.3666383), wk = 0.0034247 k( 151) = ( 0.4787234 -0.2666029 0.3586679), wk = 0.0034247 k( 152) = ( 0.4680851 -0.2606784 0.3506975), wk = 0.0034247 k( 153) = ( 0.4574468 -0.2547539 0.3427271), wk = 0.0034247 k( 154) = ( 0.4468085 -0.2488294 0.3347567), wk = 0.0034247 k( 155) = ( 0.4361702 -0.2429048 0.3267863), wk = 0.0034247 k( 156) = ( 0.4255319 -0.2369803 0.3188159), wk = 0.0034247 k( 157) = ( 0.4148936 -0.2310558 0.3108455), wk = 0.0034247 k( 158) = ( 0.4042553 -0.2251313 0.3028751), wk = 0.0034247 k( 159) = ( 0.3936170 -0.2192068 0.2949047), wk = 0.0034247 k( 160) = ( 0.3829787 -0.2132823 0.2869343), wk = 0.0034247 k( 161) = ( 0.3723404 -0.2073578 0.2789639), wk = 0.0034247 k( 162) = ( 0.3617021 -0.2014333 0.2709935), wk = 0.0034247 k( 163) = ( 0.3510638 -0.1955088 0.2630231), wk = 0.0034247 k( 164) = ( 0.3404255 -0.1895843 0.2550527), wk = 0.0034247 k( 165) = ( 0.3297872 -0.1836598 0.2470823), wk = 0.0034247 k( 166) = ( 0.3191489 -0.1777353 0.2391119), wk = 0.0034247 k( 167) = ( 0.3085106 -0.1718107 0.2311415), wk = 0.0034247 k( 168) = ( 0.2978723 -0.1658862 0.2231711), wk = 0.0034247 k( 169) = ( 0.2872340 -0.1599617 0.2152007), wk = 0.0034247 k( 170) = ( 0.2765957 -0.1540372 0.2072303), wk = 0.0034247 k( 171) = ( 0.2659574 -0.1481127 0.1992599), wk = 0.0034247 k( 172) = ( 0.2553191 -0.1421882 0.1912895), wk = 0.0034247 k( 173) = ( 0.2446809 -0.1362637 0.1833191), wk = 0.0034247 k( 174) = ( 0.2340425 -0.1303392 0.1753487), wk = 0.0034247 k( 175) = ( 0.2234043 -0.1244147 0.1673784), wk = 0.0034247 k( 176) = ( 0.2127660 -0.1184902 0.1594080), wk = 0.0034247 k( 177) = ( 0.2021277 -0.1125657 0.1514376), wk = 0.0034247 k( 178) = ( 0.1914894 -0.1066412 0.1434672), wk = 0.0034247 k( 179) = ( 0.1808511 -0.1007166 0.1354968), wk = 0.0034247 k( 180) = ( 0.1702128 -0.0947921 0.1275264), wk = 0.0034247 k( 181) = ( 0.1595745 -0.0888676 0.1195560), wk = 0.0034247 k( 182) = ( 0.1489362 -0.0829431 0.1115856), wk = 0.0034247 k( 183) = ( 0.1382979 -0.0770186 0.1036152), wk = 0.0034247 k( 184) = ( 0.1276596 -0.0710941 0.0956448), wk = 0.0034247 k( 185) = ( 0.1170213 -0.0651696 0.0876744), wk = 0.0034247 k( 186) = ( 0.1063830 -0.0592451 0.0797040), wk = 0.0034247 k( 187) = ( 0.0957447 -0.0533206 0.0717336), wk = 0.0034247 k( 188) = ( 0.0851064 -0.0473961 0.0637632), wk = 0.0034247 k( 189) = ( 0.0744681 -0.0414716 0.0557928), wk = 0.0034247 k( 190) = ( 0.0638298 -0.0355471 0.0478224), wk = 0.0034247 k( 191) = ( 0.0531915 -0.0296225 0.0398520), wk = 0.0034247 k( 192) = ( 0.0425532 -0.0236980 0.0318816), wk = 0.0034247 k( 193) = ( 0.0319149 -0.0177735 0.0239112), wk = 0.0034247 k( 194) = ( 0.0212766 -0.0118490 0.0159408), wk = 0.0034247 k( 195) = ( 0.0106383 -0.0059245 0.0079704), wk = 0.0034247 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 198) = ( 0.0000000 0.0120935 0.0078527), wk = 0.0034247 k( 199) = ( 0.0000000 0.0241870 0.0157055), wk = 0.0034247 k( 200) = ( 0.0000000 0.0362804 0.0235582), wk = 0.0034247 k( 201) = ( 0.0000000 0.0483739 0.0314109), wk = 0.0034247 k( 202) = ( 0.0000000 0.0604674 0.0392636), wk = 0.0034247 k( 203) = ( 0.0000000 0.0725609 0.0471164), wk = 0.0034247 k( 204) = ( 0.0000000 0.0846544 0.0549691), wk = 0.0034247 k( 205) = ( 0.0000000 0.0967478 0.0628218), wk = 0.0034247 k( 206) = ( 0.0000000 0.1088413 0.0706746), wk = 0.0034247 k( 207) = ( 0.0000000 0.1209348 0.0785273), wk = 0.0034247 k( 208) = ( 0.0000000 0.1330283 0.0863800), wk = 0.0034247 k( 209) = ( 0.0000000 0.1451217 0.0942327), wk = 0.0034247 k( 210) = ( 0.0000000 0.1572152 0.1020855), wk = 0.0034247 k( 211) = ( 0.0000000 0.1693087 0.1099382), wk = 0.0034247 k( 212) = ( 0.0000000 0.1814022 0.1177909), wk = 0.0034247 k( 213) = ( 0.0000000 0.1934957 0.1256437), wk = 0.0034247 k( 214) = ( 0.0000000 0.2055891 0.1334964), wk = 0.0034247 k( 215) = ( 0.0000000 0.2176826 0.1413491), wk = 0.0034247 k( 216) = ( 0.0000000 0.2297761 0.1492018), wk = 0.0034247 k( 217) = ( 0.0000000 0.2418696 0.1570546), wk = 0.0034247 k( 218) = ( 0.0000000 0.2539631 0.1649073), wk = 0.0034247 k( 219) = ( 0.0000000 0.2660565 0.1727600), wk = 0.0034247 k( 220) = ( 0.0000000 0.2781500 0.1806128), wk = 0.0034247 k( 221) = ( 0.0000000 0.2902435 0.1884655), wk = 0.0034247 k( 222) = ( 0.0000000 0.3023370 0.1963182), wk = 0.0034247 k( 223) = ( 0.0000000 0.3144305 0.2041709), wk = 0.0034247 k( 224) = ( 0.0000000 0.3265239 0.2120237), wk = 0.0034247 k( 225) = ( 0.0000000 0.3386174 0.2198764), wk = 0.0034247 k( 226) = ( 0.0000000 0.3507109 0.2277291), wk = 0.0034247 k( 227) = ( 0.0000000 0.3628044 0.2355819), wk = 0.0034247 k( 228) = ( 0.0000000 0.3748979 0.2434346), wk = 0.0034247 k( 229) = ( 0.0000000 0.3869913 0.2512873), wk = 0.0034247 k( 230) = ( 0.0000000 0.3990848 0.2591400), wk = 0.0034247 k( 231) = ( 0.0000000 0.4111783 0.2669928), wk = 0.0034247 k( 232) = ( 0.0000000 0.4232718 0.2748455), wk = 0.0034247 k( 233) = ( 0.0000000 0.4353653 0.2826982), wk = 0.0034247 k( 234) = ( 0.0000000 0.4474587 0.2905510), wk = 0.0034247 k( 235) = ( 0.0000000 0.4595522 0.2984037), wk = 0.0034247 k( 236) = ( 0.0000000 0.4716457 0.3062564), wk = 0.0034247 k( 237) = ( 0.0000000 0.4837392 0.3141091), wk = 0.0034247 k( 238) = ( 0.0000000 0.4958327 0.3219619), wk = 0.0034247 k( 239) = ( 0.0000000 0.5079261 0.3298146), wk = 0.0034247 k( 240) = ( 0.0000000 0.5200196 0.3376673), wk = 0.0034247 k( 241) = ( 0.0000000 0.5321131 0.3455201), wk = 0.0034247 k( 242) = ( 0.0000000 0.5442066 0.3533728), wk = 0.0034247 k( 243) = ( 0.0000000 0.5563001 0.3612255), wk = 0.0034247 k( 244) = ( 0.0000000 0.5683935 0.3690782), wk = 0.0034247 k( 245) = ( 0.5000000 0.2899416 0.3668119), wk = 0.0034247 k( 246) = ( 0.4893617 0.2837727 0.3590074), wk = 0.0034247 k( 247) = ( 0.4787234 0.2776037 0.3512029), wk = 0.0034247 k( 248) = ( 0.4680851 0.2714347 0.3433984), wk = 0.0034247 k( 249) = ( 0.4574468 0.2652658 0.3355939), wk = 0.0034247 k( 250) = ( 0.4468085 0.2590968 0.3277894), wk = 0.0034247 k( 251) = ( 0.4361702 0.2529278 0.3199849), wk = 0.0034247 k( 252) = ( 0.4255319 0.2467588 0.3121804), wk = 0.0034247 k( 253) = ( 0.4148936 0.2405899 0.3043759), wk = 0.0034247 k( 254) = ( 0.4042553 0.2344209 0.2965713), wk = 0.0034247 k( 255) = ( 0.3936170 0.2282519 0.2887668), wk = 0.0034247 k( 256) = ( 0.3829787 0.2220830 0.2809623), wk = 0.0034247 k( 257) = ( 0.3723404 0.2159140 0.2731578), wk = 0.0034247 k( 258) = ( 0.3617021 0.2097450 0.2653533), wk = 0.0034247 k( 259) = ( 0.3510638 0.2035760 0.2575488), wk = 0.0034247 k( 260) = ( 0.3404255 0.1974071 0.2497443), wk = 0.0034247 k( 261) = ( 0.3297872 0.1912381 0.2419398), wk = 0.0034247 k( 262) = ( 0.3191489 0.1850691 0.2341353), wk = 0.0034247 k( 263) = ( 0.3085106 0.1789002 0.2263308), wk = 0.0034247 k( 264) = ( 0.2978723 0.1727312 0.2185263), wk = 0.0034247 k( 265) = ( 0.2872340 0.1665622 0.2107217), wk = 0.0034247 k( 266) = ( 0.2765957 0.1603932 0.2029172), wk = 0.0034247 k( 267) = ( 0.2659574 0.1542243 0.1951127), wk = 0.0034247 k( 268) = ( 0.2553191 0.1480553 0.1873082), wk = 0.0034247 k( 269) = ( 0.2446809 0.1418863 0.1795037), wk = 0.0034247 k( 270) = ( 0.2340425 0.1357174 0.1716992), wk = 0.0034247 k( 271) = ( 0.2234043 0.1295484 0.1638947), wk = 0.0034247 k( 272) = ( 0.2127660 0.1233794 0.1560902), wk = 0.0034247 k( 273) = ( 0.2021277 0.1172105 0.1482857), wk = 0.0034247 k( 274) = ( 0.1914894 0.1110415 0.1404812), wk = 0.0034247 k( 275) = ( 0.1808511 0.1048725 0.1326767), wk = 0.0034247 k( 276) = ( 0.1702128 0.0987035 0.1248721), wk = 0.0034247 k( 277) = ( 0.1595745 0.0925346 0.1170676), wk = 0.0034247 k( 278) = ( 0.1489362 0.0863656 0.1092631), wk = 0.0034247 k( 279) = ( 0.1382979 0.0801966 0.1014586), wk = 0.0034247 k( 280) = ( 0.1276596 0.0740277 0.0936541), wk = 0.0034247 k( 281) = ( 0.1170213 0.0678587 0.0858496), wk = 0.0034247 k( 282) = ( 0.1063830 0.0616897 0.0780451), wk = 0.0034247 k( 283) = ( 0.0957447 0.0555207 0.0702406), wk = 0.0034247 k( 284) = ( 0.0851064 0.0493518 0.0624361), wk = 0.0034247 k( 285) = ( 0.0744681 0.0431828 0.0546316), wk = 0.0034247 k( 286) = ( 0.0638298 0.0370138 0.0468271), wk = 0.0034247 k( 287) = ( 0.0531915 0.0308449 0.0390225), wk = 0.0034247 k( 288) = ( 0.0425532 0.0246759 0.0312180), wk = 0.0034247 k( 289) = ( 0.0319149 0.0185069 0.0234135), wk = 0.0034247 k( 290) = ( 0.0212766 0.0123379 0.0156090), wk = 0.0034247 k( 291) = ( 0.0106383 0.0061690 0.0078045), wk = 0.0034247 k( 292) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 cryst. coord. k( 1) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034247 k( 2) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0034247 k( 3) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0034247 k( 4) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0034247 k( 5) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0034247 k( 6) = ( 0.4358974 -0.0000000 -0.0000000), wk = 0.0034247 k( 7) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0034247 k( 8) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0034247 k( 9) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0034247 k( 10) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0034247 k( 11) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0034247 k( 12) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0034247 k( 13) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0034247 k( 14) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0034247 k( 15) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0034247 k( 16) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0034247 k( 17) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0034247 k( 18) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0034247 k( 19) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0034247 k( 20) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0034247 k( 21) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0034247 k( 22) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0034247 k( 23) = ( 0.2179487 -0.0000000 -0.0000000), wk = 0.0034247 k( 24) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0034247 k( 25) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0034247 k( 26) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0034247 k( 27) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0034247 k( 28) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0034247 k( 29) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0034247 k( 30) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0034247 k( 31) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0034247 k( 32) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0034247 k( 33) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0034247 k( 34) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0034247 k( 35) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0034247 k( 36) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0034247 k( 37) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0034247 k( 38) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0034247 k( 39) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0034247 k( 40) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 41) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 42) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0034247 k( 43) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0034247 k( 44) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0034247 k( 45) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0034247 k( 46) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0034247 k( 47) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0034247 k( 48) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0034247 k( 49) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0034247 k( 50) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0034247 k( 51) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0034247 k( 52) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0034247 k( 53) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0034247 k( 54) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0034247 k( 55) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0034247 k( 56) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0034247 k( 57) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0034247 k( 58) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0034247 k( 59) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0034247 k( 60) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0034247 k( 61) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0034247 k( 62) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0034247 k( 63) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0034247 k( 64) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0034247 k( 65) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0034247 k( 66) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0034247 k( 67) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0034247 k( 68) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0034247 k( 69) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0034247 k( 70) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0034247 k( 71) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0034247 k( 72) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0034247 k( 73) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0034247 k( 74) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0034247 k( 75) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0034247 k( 76) = ( 0.0000000 0.4487180 0.0000000), wk = 0.0034247 k( 77) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0034247 k( 78) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0034247 k( 79) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0034247 k( 80) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 82) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0034247 k( 83) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0034247 k( 84) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0034247 k( 85) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0034247 k( 86) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0034247 k( 87) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0034247 k( 88) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0034247 k( 89) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0034247 k( 90) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0034247 k( 91) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0034247 k( 92) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0034247 k( 93) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0034247 k( 94) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0034247 k( 95) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0034247 k( 96) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0034247 k( 97) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0034247 k( 98) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0034247 k( 99) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0034247 k( 100) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0034247 k( 101) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034247 k( 102) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0034247 k( 103) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0034247 k( 104) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0034247 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0034247 k( 106) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0034247 k( 107) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0034247 k( 108) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0034247 k( 109) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0034247 k( 110) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0034247 k( 111) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0034247 k( 112) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0034247 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0034247 k( 114) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0034247 k( 115) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0034247 k( 116) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0034247 k( 117) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0034247 k( 118) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0034247 k( 119) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0034247 k( 120) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0034247 k( 137) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0034247 k( 138) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0034247 k( 139) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0034247 k( 140) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0034247 k( 141) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0034247 k( 142) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0034247 k( 143) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0034247 k( 144) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0034247 k( 145) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0034247 k( 146) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0034247 k( 147) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0034247 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 149) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034247 k( 150) = ( 0.4893617 -0.0000000 0.4893617), wk = 0.0034247 k( 151) = ( 0.4787234 -0.0000000 0.4787234), wk = 0.0034247 k( 152) = ( 0.4680851 -0.0000000 0.4680851), wk = 0.0034247 k( 153) = ( 0.4574468 -0.0000000 0.4574468), wk = 0.0034247 k( 154) = ( 0.4468085 -0.0000000 0.4468085), wk = 0.0034247 k( 155) = ( 0.4361702 -0.0000000 0.4361702), wk = 0.0034247 k( 156) = ( 0.4255319 -0.0000000 0.4255319), wk = 0.0034247 k( 157) = ( 0.4148936 -0.0000000 0.4148936), wk = 0.0034247 k( 158) = ( 0.4042553 -0.0000000 0.4042553), wk = 0.0034247 k( 159) = ( 0.3936170 -0.0000000 0.3936170), wk = 0.0034247 k( 160) = ( 0.3829787 -0.0000000 0.3829787), wk = 0.0034247 k( 161) = ( 0.3723404 -0.0000000 0.3723404), wk = 0.0034247 k( 162) = ( 0.3617021 -0.0000000 0.3617021), wk = 0.0034247 k( 163) = ( 0.3510638 -0.0000000 0.3510638), wk = 0.0034247 k( 164) = ( 0.3404255 -0.0000000 0.3404255), wk = 0.0034247 k( 165) = ( 0.3297872 -0.0000000 0.3297872), wk = 0.0034247 k( 166) = ( 0.3191489 -0.0000000 0.3191489), wk = 0.0034247 k( 167) = ( 0.3085106 -0.0000000 0.3085106), wk = 0.0034247 k( 168) = ( 0.2978723 -0.0000000 0.2978723), wk = 0.0034247 k( 169) = ( 0.2872340 -0.0000000 0.2872340), wk = 0.0034247 k( 170) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0034247 k( 171) = ( 0.2659574 -0.0000000 0.2659575), wk = 0.0034247 k( 172) = ( 0.2553191 -0.0000000 0.2553191), wk = 0.0034247 k( 173) = ( 0.2446809 -0.0000000 0.2446809), wk = 0.0034247 k( 174) = ( 0.2340425 -0.0000000 0.2340425), wk = 0.0034247 k( 175) = ( 0.2234043 -0.0000000 0.2234043), wk = 0.0034247 k( 176) = ( 0.2127660 -0.0000000 0.2127660), wk = 0.0034247 k( 177) = ( 0.2021277 -0.0000000 0.2021277), wk = 0.0034247 k( 178) = ( 0.1914894 -0.0000000 0.1914894), wk = 0.0034247 k( 179) = ( 0.1808511 -0.0000000 0.1808511), wk = 0.0034247 k( 180) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0034247 k( 181) = ( 0.1595745 -0.0000000 0.1595745), wk = 0.0034247 k( 182) = ( 0.1489362 -0.0000000 0.1489362), wk = 0.0034247 k( 183) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0034247 k( 184) = ( 0.1276596 -0.0000000 0.1276596), wk = 0.0034247 k( 185) = ( 0.1170213 -0.0000000 0.1170213), wk = 0.0034247 k( 186) = ( 0.1063830 -0.0000000 0.1063830), wk = 0.0034247 k( 187) = ( 0.0957447 -0.0000000 0.0957447), wk = 0.0034247 k( 188) = ( 0.0851064 -0.0000000 0.0851064), wk = 0.0034247 k( 189) = ( 0.0744681 -0.0000000 0.0744681), wk = 0.0034247 k( 190) = ( 0.0638298 -0.0000000 0.0638298), wk = 0.0034247 k( 191) = ( 0.0531915 -0.0000000 0.0531915), wk = 0.0034247 k( 192) = ( 0.0425532 -0.0000000 0.0425532), wk = 0.0034247 k( 193) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0034247 k( 194) = ( 0.0212766 -0.0000000 0.0212766), wk = 0.0034247 k( 195) = ( 0.0106383 -0.0000000 0.0106383), wk = 0.0034247 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 198) = ( 0.0000000 0.0106383 0.0106383), wk = 0.0034247 k( 199) = ( 0.0000000 0.0212766 0.0212766), wk = 0.0034247 k( 200) = ( 0.0000000 0.0319149 0.0319149), wk = 0.0034247 k( 201) = ( 0.0000000 0.0425532 0.0425532), wk = 0.0034247 k( 202) = ( 0.0000000 0.0531915 0.0531915), wk = 0.0034247 k( 203) = ( 0.0000000 0.0638298 0.0638298), wk = 0.0034247 k( 204) = ( 0.0000000 0.0744681 0.0744681), wk = 0.0034247 k( 205) = ( 0.0000000 0.0851064 0.0851064), wk = 0.0034247 k( 206) = ( 0.0000000 0.0957447 0.0957447), wk = 0.0034247 k( 207) = ( 0.0000000 0.1063830 0.1063830), wk = 0.0034247 k( 208) = ( 0.0000000 0.1170213 0.1170213), wk = 0.0034247 k( 209) = ( 0.0000000 0.1276596 0.1276596), wk = 0.0034247 k( 210) = ( 0.0000000 0.1382979 0.1382979), wk = 0.0034247 k( 211) = ( 0.0000000 0.1489362 0.1489362), wk = 0.0034247 k( 212) = ( 0.0000000 0.1595745 0.1595745), wk = 0.0034247 k( 213) = ( 0.0000000 0.1702128 0.1702128), wk = 0.0034247 k( 214) = ( 0.0000000 0.1808511 0.1808511), wk = 0.0034247 k( 215) = ( 0.0000000 0.1914894 0.1914894), wk = 0.0034247 k( 216) = ( 0.0000000 0.2021277 0.2021277), wk = 0.0034247 k( 217) = ( 0.0000000 0.2127660 0.2127660), wk = 0.0034247 k( 218) = ( 0.0000000 0.2234043 0.2234043), wk = 0.0034247 k( 219) = ( 0.0000000 0.2340425 0.2340425), wk = 0.0034247 k( 220) = ( 0.0000000 0.2446809 0.2446809), wk = 0.0034247 k( 221) = ( 0.0000000 0.2553191 0.2553191), wk = 0.0034247 k( 222) = ( 0.0000000 0.2659574 0.2659574), wk = 0.0034247 k( 223) = ( 0.0000000 0.2765957 0.2765957), wk = 0.0034247 k( 224) = ( 0.0000000 0.2872340 0.2872340), wk = 0.0034247 k( 225) = ( 0.0000000 0.2978723 0.2978723), wk = 0.0034247 k( 226) = ( 0.0000000 0.3085106 0.3085106), wk = 0.0034247 k( 227) = ( 0.0000000 0.3191489 0.3191489), wk = 0.0034247 k( 228) = ( 0.0000000 0.3297872 0.3297872), wk = 0.0034247 k( 229) = ( 0.0000000 0.3404255 0.3404255), wk = 0.0034247 k( 230) = ( 0.0000000 0.3510638 0.3510638), wk = 0.0034247 k( 231) = ( 0.0000000 0.3617021 0.3617021), wk = 0.0034247 k( 232) = ( 0.0000000 0.3723404 0.3723404), wk = 0.0034247 k( 233) = ( 0.0000000 0.3829787 0.3829787), wk = 0.0034247 k( 234) = ( 0.0000000 0.3936170 0.3936170), wk = 0.0034247 k( 235) = ( 0.0000000 0.4042553 0.4042553), wk = 0.0034247 k( 236) = ( 0.0000000 0.4148936 0.4148936), wk = 0.0034247 k( 237) = ( 0.0000000 0.4255319 0.4255319), wk = 0.0034247 k( 238) = ( 0.0000000 0.4361702 0.4361702), wk = 0.0034247 k( 239) = ( 0.0000000 0.4468085 0.4468085), wk = 0.0034247 k( 240) = ( 0.0000000 0.4574468 0.4574468), wk = 0.0034247 k( 241) = ( 0.0000000 0.4680851 0.4680851), wk = 0.0034247 k( 242) = ( 0.0000000 0.4787234 0.4787234), wk = 0.0034247 k( 243) = ( 0.0000000 0.4893617 0.4893617), wk = 0.0034247 k( 244) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 246) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0034247 k( 247) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0034247 k( 248) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0034247 k( 249) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0034247 k( 250) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0034247 k( 251) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0034247 k( 252) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0034247 k( 253) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0034247 k( 254) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0034247 k( 255) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0034247 k( 256) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0034247 k( 257) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0034247 k( 258) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0034247 k( 259) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0034247 k( 260) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0034247 k( 261) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0034247 k( 262) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0034247 k( 263) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0034247 k( 264) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0034247 k( 265) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0034247 k( 266) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0034247 k( 267) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0034247 k( 268) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0034247 k( 269) = ( 0.2446809 0.2446808 0.2446809), wk = 0.0034247 k( 270) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0034247 k( 271) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0034247 k( 272) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0034247 k( 273) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0034247 k( 274) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0034247 k( 275) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0034247 k( 276) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0034247 k( 277) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0034247 k( 278) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0034247 k( 279) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0034247 k( 280) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0034247 k( 281) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0034247 k( 282) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0034247 k( 283) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0034247 k( 284) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0034247 k( 285) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0034247 k( 286) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0034247 k( 287) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0034247 k( 288) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0034247 k( 289) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0034247 k( 290) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0034247 k( 291) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0034247 k( 292) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 Dense grid: 335437 G-vectors FFT dimensions: ( 81, 90, 120) Smooth grid: 76099 G-vectors FFT dimensions: ( 50, 54, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 404, 62) NL pseudopotentials 0.41 Mb ( 202, 132) Each V/rho on FFT grid 0.33 Mb ( 21870) Each G-vector array 0.05 Mb ( 6987) G-vector shells 0.05 Mb ( 6808) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.53 Mb ( 404, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.25 Mb ( 132, 2, 62) The potential is recalculated from file : ./RbBe2F5.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 49.1 secs Computing kpt #: 4 total cpu time spent up to now is 53.0 secs Computing kpt #: 5 total cpu time spent up to now is 56.9 secs Computing kpt #: 6 total cpu time spent up to now is 60.6 secs Computing kpt #: 7 total cpu time spent up to now is 64.4 secs Computing kpt #: 8 total cpu time spent up to now is 68.1 secs Computing kpt #: 9 total cpu time spent up to now is 71.9 secs Computing kpt #: 10 total cpu time spent up to now is 75.7 secs Computing kpt #: 11 total cpu time spent up to now is 82.0 secs Computing kpt #: 12 total cpu time spent up to now is 85.9 secs Computing kpt #: 13 total cpu time spent up to now is 89.6 secs Computing kpt #: 14 total cpu time spent up to now is 93.6 secs Computing kpt #: 15 total cpu time spent up to now is 97.4 secs Computing kpt #: 16 total cpu time spent up to now is 101.2 secs Computing kpt #: 17 total cpu time spent up to now is 105.0 secs Computing kpt #: 18 total cpu time spent up to now is 108.7 secs Computing kpt #: 19 total cpu time spent up to now is 112.6 secs Computing kpt #: 20 total cpu time spent up to now is 116.4 secs Computing kpt #: 21 total cpu time spent up to now is 120.5 secs Computing kpt #: 22 total cpu time spent up to now is 124.3 secs Computing kpt #: 23 total cpu time spent up to now is 128.1 secs Computing kpt #: 24 total cpu time spent up to now is 131.8 secs Computing kpt #: 25 total cpu time spent up to now is 135.5 secs Computing kpt #: 26 total cpu time spent up to now is 139.2 secs Computing kpt #: 27 total cpu time spent up to now is 142.8 secs Computing kpt #: 28 total cpu time spent up to now is 146.5 secs Computing kpt #: 29 total cpu time spent up to now is 150.1 secs Computing kpt #: 30 total cpu time spent up to now is 153.7 secs Computing kpt #: 31 total cpu time spent up to now is 157.4 secs Computing kpt #: 32 total cpu time spent up to now is 161.1 secs Computing kpt #: 33 total cpu time spent up to now is 164.7 secs Computing kpt #: 34 total cpu time spent up to now is 168.1 secs Computing kpt #: 35 total cpu time spent up to now is 173.5 secs Computing kpt #: 36 total cpu time spent up to now is 177.0 secs Computing kpt #: 37 total cpu time spent up to now is 180.4 secs Computing kpt #: 38 total cpu time spent up to now is 184.0 secs Computing kpt #: 39 total cpu time spent up to now is 187.4 secs Computing kpt #: 40 total cpu time spent up to now is 190.8 secs Computing kpt #: 41 total cpu time spent up to now is 194.4 secs Computing kpt #: 42 total cpu time spent up to now is 197.9 secs Computing kpt #: 43 total cpu time spent up to now is 201.4 secs Computing kpt #: 44 total cpu time spent up to now is 204.9 secs Computing kpt #: 45 total cpu time spent up to now is 208.4 secs Computing kpt #: 46 total cpu time spent up to now is 211.9 secs Computing kpt #: 47 total cpu time spent up to now is 215.4 secs Computing kpt #: 48 total cpu time spent up to now is 218.9 secs Computing kpt #: 49 total cpu time spent up to now is 222.3 secs Computing kpt #: 50 total cpu time spent up to now is 225.8 secs Computing kpt #: 51 total cpu time spent up to now is 229.4 secs Computing kpt #: 52 total cpu time spent up to now is 233.0 secs Computing kpt #: 53 total cpu time spent up to now is 236.8 secs Computing kpt #: 54 total cpu time spent up to now is 240.4 secs Computing kpt #: 55 total cpu time spent up to now is 244.1 secs Computing kpt #: 56 total cpu time spent up to now is 247.6 secs Computing kpt #: 57 total cpu time spent up to now is 251.2 secs Computing kpt #: 58 total cpu time spent up to now is 254.8 secs Computing kpt #: 59 total cpu time spent up to now is 258.4 secs Computing kpt #: 60 total cpu time spent up to now is 262.0 secs Computing kpt #: 61 total cpu time spent up to now is 265.9 secs Computing kpt #: 62 total cpu time spent up to now is 269.6 secs Computing kpt #: 63 total cpu time spent up to now is 273.7 secs Computing kpt #: 64 total cpu time spent up to now is 277.6 secs Computing kpt #: 65 total cpu time spent up to now is 281.5 secs Computing kpt #: 66 total cpu time spent up to now is 285.3 secs Computing kpt #: 67 total cpu time spent up to now is 289.1 secs Computing kpt #: 68 total cpu time spent up to now is 292.9 secs Computing kpt #: 69 total cpu time spent up to now is 296.8 secs Computing kpt #: 70 total cpu time spent up to now is 300.5 secs Computing kpt #: 71 total cpu time spent up to now is 304.4 secs Computing kpt #: 72 total cpu time spent up to now is 308.3 secs Computing kpt #: 73 total cpu time spent up to now is 312.5 secs Computing kpt #: 74 total cpu time spent up to now is 316.4 secs Computing kpt #: 75 total cpu time spent up to now is 320.3 secs Computing kpt #: 76 total cpu time spent up to now is 324.0 secs Computing kpt #: 77 total cpu time spent up to now is 327.8 secs Computing kpt #: 78 total cpu time spent up to now is 331.7 secs Computing kpt #: 79 total cpu time spent up to now is 335.5 secs Computing kpt #: 80 total cpu time spent up to now is 339.2 secs Computing kpt #: 81 total cpu time spent up to now is 342.8 secs Computing kpt #: 82 total cpu time spent up to now is 346.5 secs Computing kpt #: 83 total cpu time spent up to now is 350.4 secs Computing kpt #: 84 total cpu time spent up to now is 354.0 secs Computing kpt #: 85 total cpu time spent up to now is 357.6 secs Computing kpt #: 86 total cpu time spent up to now is 361.2 secs Computing kpt #: 87 total cpu time spent up to now is 364.8 secs Computing kpt #: 88 total cpu time spent up to now is 368.5 secs Computing kpt #: 89 total cpu time spent up to now is 372.2 secs Computing kpt #: 90 total cpu time spent up to now is 375.7 secs Computing kpt #: 91 total cpu time spent up to now is 381.6 secs Computing kpt #: 92 total cpu time spent up to now is 385.7 secs Computing kpt #: 93 total cpu time spent up to now is 389.4 secs Computing kpt #: 94 total cpu time spent up to now is 393.1 secs Computing kpt #: 95 total cpu time spent up to now is 396.9 secs Computing kpt #: 96 total cpu time spent up to now is 400.7 secs Computing kpt #: 97 total cpu time spent up to now is 404.3 secs Computing kpt #: 98 total cpu time spent up to now is 408.0 secs Computing kpt #: 99 total cpu time spent up to now is 411.6 secs Computing kpt #: 100 total cpu time spent up to now is 415.3 secs Computing kpt #: 101 total cpu time spent up to now is 419.0 secs Computing kpt #: 102 total cpu time spent up to now is 422.6 secs Computing kpt #: 103 total cpu time spent up to now is 426.4 secs Computing kpt #: 104 total cpu time spent up to now is 430.0 secs Computing kpt #: 105 total cpu time spent up to now is 433.7 secs Computing kpt #: 106 total cpu time spent up to now is 437.3 secs Computing kpt #: 107 total cpu time spent up to now is 441.2 secs Computing kpt #: 108 total cpu time spent up to now is 444.8 secs Computing kpt #: 109 total cpu time spent up to now is 448.4 secs Computing kpt #: 110 total cpu time spent up to now is 452.0 secs Computing kpt #: 111 total cpu time spent up to now is 455.6 secs Computing kpt #: 112 total cpu time spent up to now is 459.1 secs Computing kpt #: 113 total cpu time spent up to now is 462.6 secs Computing kpt #: 114 total cpu time spent up to now is 466.1 secs Computing kpt #: 115 total cpu time spent up to now is 469.6 secs Computing kpt #: 116 total cpu time spent up to now is 473.2 secs Computing kpt #: 117 total cpu time spent up to now is 476.7 secs Computing kpt #: 118 total cpu time spent up to now is 480.1 secs Computing kpt #: 119 total cpu time spent up to now is 483.6 secs Computing kpt #: 120 total cpu time spent up to now is 487.1 secs Computing kpt #: 121 total cpu time spent up to now is 490.6 secs Computing kpt #: 122 total cpu time spent up to now is 494.0 secs Computing kpt #: 123 total cpu time spent up to now is 497.4 secs Computing kpt #: 124 total cpu time spent up to now is 501.0 secs Computing kpt #: 125 total cpu time spent up to now is 504.5 secs Computing kpt #: 126 total cpu time spent up to now is 508.0 secs Computing kpt #: 127 total cpu time spent up to now is 511.5 secs Computing kpt #: 128 total cpu time spent up to now is 515.0 secs Computing kpt #: 129 total cpu time spent up to now is 518.4 secs Computing kpt #: 130 total cpu time spent up to now is 521.9 secs Computing kpt #: 131 total cpu time spent up to now is 525.4 secs Computing kpt #: 132 total cpu time spent up to now is 528.9 secs Computing kpt #: 133 total cpu time spent up to now is 532.4 secs Computing kpt #: 134 total cpu time spent up to now is 535.9 secs Computing kpt #: 135 total cpu time spent up to now is 539.3 secs Computing kpt #: 136 total cpu time spent up to now is 542.8 secs Computing kpt #: 137 total cpu time spent up to now is 546.3 secs Computing kpt #: 138 total cpu time spent up to now is 549.8 secs Computing kpt #: 139 total cpu time spent up to now is 553.3 secs Computing kpt #: 140 total cpu time spent up to now is 556.8 secs Computing kpt #: 141 total cpu time spent up to now is 560.4 secs Computing kpt #: 142 total cpu time spent up to now is 563.9 secs Computing kpt #: 143 total cpu time spent up to now is 567.3 secs Computing kpt #: 144 total cpu time spent up to now is 570.8 secs Computing kpt #: 145 total cpu time spent up to now is 574.6 secs Computing kpt #: 146 total cpu time spent up to now is 578.3 secs Computing kpt #: 147 total cpu time spent up to now is 581.8 secs Computing kpt #: 148 total cpu time spent up to now is 585.4 secs Computing kpt #: 149 total cpu time spent up to now is 588.8 secs Computing kpt #: 150 total cpu time spent up to now is 592.3 secs Computing kpt #: 151 total cpu time spent up to now is 595.8 secs Computing kpt #: 152 total cpu time spent up to now is 599.1 secs Computing kpt #: 153 total cpu time spent up to now is 602.7 secs Computing kpt #: 154 total cpu time spent up to now is 606.2 secs Computing kpt #: 155 total cpu time spent up to now is 609.7 secs Computing kpt #: 156 total cpu time spent up to now is 613.4 secs Computing kpt #: 157 total cpu time spent up to now is 617.1 secs Computing kpt #: 158 total cpu time spent up to now is 620.8 secs Computing kpt #: 159 total cpu time spent up to now is 624.5 secs Computing kpt #: 160 total cpu time spent up to now is 628.3 secs Computing kpt #: 161 total cpu time spent up to now is 632.0 secs Computing kpt #: 162 total cpu time spent up to now is 635.9 secs Computing kpt #: 163 total cpu time spent up to now is 639.8 secs Computing kpt #: 164 total cpu time spent up to now is 643.7 secs Computing kpt #: 165 total cpu time spent up to now is 647.6 secs Computing kpt #: 166 total cpu time spent up to now is 651.5 secs Computing kpt #: 167 total cpu time spent up to now is 655.5 secs Computing kpt #: 168 total cpu time spent up to now is 659.4 secs Computing kpt #: 169 total cpu time spent up to now is 663.3 secs Computing kpt #: 170 total cpu time spent up to now is 667.2 secs Computing kpt #: 171 total cpu time spent up to now is 671.1 secs Computing kpt #: 172 total cpu time spent up to now is 675.0 secs Computing kpt #: 173 total cpu time spent up to now is 679.7 secs Computing kpt #: 174 total cpu time spent up to now is 683.6 secs Computing kpt #: 175 total cpu time spent up to now is 687.4 secs Computing kpt #: 176 total cpu time spent up to now is 691.0 secs Computing kpt #: 177 total cpu time spent up to now is 694.6 secs Computing kpt #: 178 total cpu time spent up to now is 698.4 secs Computing kpt #: 179 total cpu time spent up to now is 702.0 secs Computing kpt #: 180 total cpu time spent up to now is 705.7 secs Computing kpt #: 181 total cpu time spent up to now is 709.4 secs Computing kpt #: 182 total cpu time spent up to now is 712.9 secs Computing kpt #: 183 total cpu time spent up to now is 716.5 secs Computing kpt #: 184 total cpu time spent up to now is 720.0 secs Computing kpt #: 185 total cpu time spent up to now is 723.6 secs Computing kpt #: 186 total cpu time spent up to now is 727.3 secs Computing kpt #: 187 total cpu time spent up to now is 730.8 secs Computing kpt #: 188 total cpu time spent up to now is 734.3 secs Computing kpt #: 189 total cpu time spent up to now is 737.8 secs Computing kpt #: 190 total cpu time spent up to now is 741.3 secs Computing kpt #: 191 total cpu time spent up to now is 744.7 secs Computing kpt #: 192 total cpu time spent up to now is 748.2 secs Computing kpt #: 193 total cpu time spent up to now is 751.7 secs Computing kpt #: 194 total cpu time spent up to now is 755.2 secs Computing kpt #: 195 total cpu time spent up to now is 758.6 secs Computing kpt #: 196 total cpu time spent up to now is 762.1 secs Computing kpt #: 197 total cpu time spent up to now is 765.5 secs Computing kpt #: 198 total cpu time spent up to now is 769.0 secs Computing kpt #: 199 total cpu time spent up to now is 772.6 secs Computing kpt #: 200 total cpu time spent up to now is 776.1 secs Computing kpt #: 201 total cpu time spent up to now is 779.5 secs Computing kpt #: 202 total cpu time spent up to now is 783.1 secs Computing kpt #: 203 total cpu time spent up to now is 786.6 secs Computing kpt #: 204 total cpu time spent up to now is 790.1 secs Computing kpt #: 205 total cpu time spent up to now is 793.7 secs Computing kpt #: 206 total cpu time spent up to now is 797.2 secs Computing kpt #: 207 total cpu time spent up to now is 800.7 secs Computing kpt #: 208 total cpu time spent up to now is 804.1 secs Computing kpt #: 209 total cpu time spent up to now is 807.6 secs Computing kpt #: 210 total cpu time spent up to now is 811.6 secs Computing kpt #: 211 total cpu time spent up to now is 815.1 secs Computing kpt #: 212 total cpu time spent up to now is 818.7 secs Computing kpt #: 213 total cpu time spent up to now is 822.2 secs Computing kpt #: 214 total cpu time spent up to now is 825.7 secs Computing kpt #: 215 total cpu time spent up to now is 829.3 secs Computing kpt #: 216 total cpu time spent up to now is 832.9 secs Computing kpt #: 217 total cpu time spent up to now is 836.7 secs Computing kpt #: 218 total cpu time spent up to now is 840.5 secs Computing kpt #: 219 total cpu time spent up to now is 844.2 secs Computing kpt #: 220 total cpu time spent up to now is 848.1 secs Computing kpt #: 221 total cpu time spent up to now is 851.9 secs Computing kpt #: 222 total cpu time spent up to now is 855.7 secs Computing kpt #: 223 total cpu time spent up to now is 859.6 secs Computing kpt #: 224 total cpu time spent up to now is 863.5 secs Computing kpt #: 225 total cpu time spent up to now is 867.4 secs Computing kpt #: 226 total cpu time spent up to now is 873.1 secs Computing kpt #: 227 total cpu time spent up to now is 877.1 secs Computing kpt #: 228 total cpu time spent up to now is 881.0 secs Computing kpt #: 229 total cpu time spent up to now is 884.9 secs Computing kpt #: 230 total cpu time spent up to now is 888.8 secs Computing kpt #: 231 total cpu time spent up to now is 892.7 secs Computing kpt #: 232 total cpu time spent up to now is 896.5 secs Computing kpt #: 233 total cpu time spent up to now is 900.5 secs Computing kpt #: 234 total cpu time spent up to now is 904.3 secs Computing kpt #: 235 total cpu time spent up to now is 908.2 secs Computing kpt #: 236 total cpu time spent up to now is 911.9 secs Computing kpt #: 237 total cpu time spent up to now is 915.5 secs Computing kpt #: 238 total cpu time spent up to now is 919.3 secs Computing kpt #: 239 total cpu time spent up to now is 922.9 secs Computing kpt #: 240 total cpu time spent up to now is 926.3 secs Computing kpt #: 241 total cpu time spent up to now is 929.9 secs Computing kpt #: 242 total cpu time spent up to now is 933.5 secs Computing kpt #: 243 total cpu time spent up to now is 936.9 secs Computing kpt #: 244 total cpu time spent up to now is 940.4 secs Computing kpt #: 245 total cpu time spent up to now is 944.0 secs Computing kpt #: 246 total cpu time spent up to now is 947.6 secs Computing kpt #: 247 total cpu time spent up to now is 951.1 secs Computing kpt #: 248 total cpu time spent up to now is 954.7 secs Computing kpt #: 249 total cpu time spent up to now is 958.3 secs Computing kpt #: 250 total cpu time spent up to now is 962.0 secs Computing kpt #: 251 total cpu time spent up to now is 965.7 secs Computing kpt #: 252 total cpu time spent up to now is 969.3 secs Computing kpt #: 253 total cpu time spent up to now is 973.0 secs Computing kpt #: 254 total cpu time spent up to now is 977.0 secs Computing kpt #: 255 total cpu time spent up to now is 983.1 secs Computing kpt #: 256 total cpu time spent up to now is 987.4 secs Computing kpt #: 257 total cpu time spent up to now is 991.4 secs Computing kpt #: 258 total cpu time spent up to now is 995.5 secs Computing kpt #: 259 total cpu time spent up to now is 999.6 secs Computing kpt #: 260 total cpu time spent up to now is 1003.7 secs Computing kpt #: 261 total cpu time spent up to now is 1007.8 secs Computing kpt #: 262 total cpu time spent up to now is 1011.7 secs Computing kpt #: 263 total cpu time spent up to now is 1015.8 secs Computing kpt #: 264 total cpu time spent up to now is 1019.7 secs Computing kpt #: 265 total cpu time spent up to now is 1023.5 secs Computing kpt #: 266 total cpu time spent up to now is 1027.3 secs Computing kpt #: 267 total cpu time spent up to now is 1030.9 secs Computing kpt #: 268 total cpu time spent up to now is 1034.5 secs Computing kpt #: 269 total cpu time spent up to now is 1038.1 secs Computing kpt #: 270 total cpu time spent up to now is 1041.8 secs Computing kpt #: 271 total cpu time spent up to now is 1045.7 secs Computing kpt #: 272 total cpu time spent up to now is 1049.4 secs Computing kpt #: 273 total cpu time spent up to now is 1053.0 secs Computing kpt #: 274 total cpu time spent up to now is 1056.5 secs Computing kpt #: 275 total cpu time spent up to now is 1060.1 secs Computing kpt #: 276 total cpu time spent up to now is 1063.7 secs Computing kpt #: 277 total cpu time spent up to now is 1067.3 secs Computing kpt #: 278 total cpu time spent up to now is 1070.9 secs Computing kpt #: 279 total cpu time spent up to now is 1074.4 secs Computing kpt #: 280 total cpu time spent up to now is 1077.9 secs Computing kpt #: 281 total cpu time spent up to now is 1081.6 secs Computing kpt #: 282 total cpu time spent up to now is 1085.2 secs Computing kpt #: 283 total cpu time spent up to now is 1088.7 secs Computing kpt #: 284 total cpu time spent up to now is 1092.2 secs Computing kpt #: 285 total cpu time spent up to now is 1095.7 secs Computing kpt #: 286 total cpu time spent up to now is 1099.3 secs Computing kpt #: 287 total cpu time spent up to now is 1102.8 secs Computing kpt #: 288 total cpu time spent up to now is 1106.2 secs Computing kpt #: 289 total cpu time spent up to now is 1109.8 secs Computing kpt #: 290 total cpu time spent up to now is 1113.3 secs Computing kpt #: 291 total cpu time spent up to now is 1116.8 secs Computing kpt #: 292 total cpu time spent up to now is 1120.2 secs ethr = 1.92E-11, avg # of iterations = 28.6 total cpu time spent up to now is 1120.4 secs End of band structure calculation k = 0.5000-0.2785-0.0023 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2823 -22.2823 -22.2330 -22.2330 -21.9825 -21.9825 -21.5516 -21.5516 -19.3902 -19.3902 -19.3574 -19.3574 -7.0315 -7.0315 -6.2274 -6.2274 -6.1223 -6.1223 -5.9201 -5.9201 -5.2111 -5.2111 -4.8555 -4.8555 -3.5044 -3.5044 -3.2407 -3.2407 -2.9068 -2.9068 -2.7117 -2.7117 -2.2922 -2.2922 -1.4179 -1.4179 -1.2546 -1.2546 -1.0097 -1.0097 -0.3574 -0.3574 -0.3075 -0.3075 -0.0566 -0.0566 0.0414 0.0414 9.2008 9.2008 9.9782 9.9782 10.3270 10.3270 11.1922 11.1922 12.1428 12.1428 k = 0.4872-0.2713-0.0022 ( 9515 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2828 -22.2828 -22.2336 -22.2336 -21.9815 -21.9815 -21.5514 -21.5514 -19.3902 -19.3902 -19.3574 -19.3573 -7.0318 -7.0310 -6.2278 -6.2266 -6.1223 -6.1221 -5.9210 -5.9206 -5.2118 -5.2117 -4.8566 -4.8564 -3.5061 -3.5051 -3.2409 -3.2390 -2.9048 -2.9040 -2.7130 -2.7115 -2.2908 -2.2901 -1.4183 -1.4174 -1.2559 -1.2552 -1.0092 -1.0084 -0.3578 -0.3573 -0.3079 -0.3073 -0.0571 -0.0570 0.0415 0.0419 9.1927 9.1929 9.9785 9.9786 10.3322 10.3325 11.1940 11.1944 12.1417 12.1419 k = 0.4744-0.2642-0.0022 ( 9513 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2841 -22.2841 -22.2353 -22.2353 -21.9787 -21.9787 -21.5511 -21.5511 -19.3903 -19.3903 -19.3571 -19.3571 -7.0319 -7.0304 -6.2281 -6.2256 -6.1222 -6.1217 -5.9232 -5.9225 -5.2139 -5.2136 -4.8596 -4.8593 -3.5101 -3.5082 -3.2393 -3.2357 -2.8979 -2.8965 -2.7153 -2.7123 -2.2858 -2.2845 -1.4188 -1.4171 -1.2590 -1.2576 -1.0069 -1.0053 -0.3585 -0.3574 -0.3084 -0.3074 -0.0587 -0.0583 0.0423 0.0429 9.1690 9.1694 9.9796 9.9800 10.3470 10.3476 11.2001 11.2009 12.1387 12.1390 k = 0.4615-0.2570-0.0021 ( 9513 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2865 -22.2865 -22.2378 -22.2378 -21.9742 -21.9742 -21.5505 -21.5505 -19.3905 -19.3905 -19.3568 -19.3568 -7.0318 -7.0295 -6.2280 -6.2244 -6.1219 -6.1212 -5.9267 -5.9257 -5.2172 -5.2168 -4.8646 -4.8641 -3.5163 -3.5136 -3.2360 -3.2308 -2.8865 -2.8844 -2.7185 -2.7140 -2.2774 -2.2756 -1.4193 -1.4167 -1.2637 -1.2618 -1.0028 -1.0005 -0.3596 -0.3580 -0.3091 -0.3075 -0.0611 -0.0606 0.0436 0.0445 9.1313 9.1318 9.9820 9.9825 10.3695 10.3702 11.2105 11.2117 12.1337 12.1340 k = 0.4487-0.2499-0.0020 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2900 -22.2900 -22.2409 -22.2409 -21.9682 -21.9682 -21.5496 -21.5496 -19.3907 -19.3907 -19.3563 -19.3562 -7.0315 -7.0285 -6.2277 -6.2229 -6.1214 -6.1204 -5.9317 -5.9303 -5.2217 -5.2212 -4.8714 -4.8708 -3.5245 -3.5211 -3.2309 -3.2244 -2.8709 -2.8683 -2.7223 -2.7163 -2.2659 -2.2636 -1.4198 -1.4163 -1.2699 -1.2674 -0.9972 -0.9942 -0.3613 -0.3592 -0.3096 -0.3075 -0.0644 -0.0638 0.0454 0.0467 9.0817 9.0823 9.9861 9.9866 10.3967 10.3976 11.2256 11.2272 12.1266 12.1271 k = 0.4359-0.2428-0.0020 ( 9509 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2947 -22.2947 -22.2441 -22.2441 -21.9609 -21.9609 -21.5485 -21.5485 -19.3910 -19.3910 -19.3556 -19.3556 -7.0310 -7.0272 -6.2271 -6.2211 -6.1208 -6.1195 -5.9379 -5.9362 -5.2272 -5.2266 -4.8801 -4.8794 -3.5344 -3.5306 -3.2239 -3.2165 -2.8516 -2.8484 -2.7266 -2.7189 -2.2515 -2.2489 -1.4204 -1.4160 -1.2774 -1.2744 -0.9902 -0.9867 -0.3637 -0.3613 -0.3099 -0.3073 -0.0684 -0.0676 0.0477 0.0493 9.0223 9.0230 9.9920 9.9926 10.4258 10.4269 11.2457 11.2477 12.1175 12.1181 k = 0.4231-0.2356-0.0019 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3007 -22.3007 -22.2472 -22.2472 -21.9526 -21.9526 -21.5471 -21.5471 -19.3914 -19.3913 -19.3549 -19.3548 -7.0303 -7.0259 -6.2263 -6.2192 -6.1201 -6.1185 -5.9455 -5.9434 -5.2336 -5.2328 -4.8905 -4.8896 -3.5457 -3.5417 -3.2152 -3.2071 -2.8295 -2.8254 -2.7310 -2.7212 -2.2346 -2.2317 -1.4211 -1.4157 -1.2859 -1.2825 -0.9821 -0.9781 -0.3671 -0.3645 -0.3099 -0.3067 -0.0730 -0.0721 0.0505 0.0524 8.9552 8.9560 9.9999 10.0005 10.4543 10.4555 11.2710 11.2735 12.1064 12.1071 k = 0.4103-0.2285-0.0019 ( 9506 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3080 -22.3080 -22.2501 -22.2501 -21.9434 -21.9434 -21.5455 -21.5455 -19.3918 -19.3917 -19.3540 -19.3539 -7.0294 -7.0243 -6.2253 -6.2170 -6.1192 -6.1173 -5.9544 -5.9519 -5.2408 -5.2398 -4.9024 -4.9015 -3.5584 -3.5542 -3.2047 -3.1962 -2.8059 -2.7995 -2.7352 -2.7221 -2.2155 -2.2124 -1.4219 -1.4154 -1.2953 -1.2914 -0.9730 -0.9685 -0.3715 -0.3687 -0.3095 -0.3058 -0.0780 -0.0770 0.0537 0.0559 8.8823 8.8831 10.0098 10.0104 10.4802 10.4815 11.3015 11.3045 12.0933 12.0940 k = 0.3974-0.2213-0.0018 ( 9507 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3164 -22.3164 -22.2526 -22.2526 -21.9337 -21.9336 -21.5437 -21.5437 -19.3922 -19.3921 -19.3530 -19.3529 -7.0284 -7.0227 -6.2241 -6.2147 -6.1182 -6.1159 -5.9645 -5.9616 -5.2485 -5.2473 -4.9158 -4.9148 -3.5719 -3.5678 -3.1928 -3.1840 -2.7837 -2.7723 -2.7379 -2.7191 -2.1945 -2.1913 -1.4228 -1.4152 -1.3053 -1.3009 -0.9631 -0.9583 -0.3770 -0.3742 -0.3089 -0.3048 -0.0832 -0.0820 0.0573 0.0597 8.8049 8.8057 10.0216 10.0222 10.5020 10.5034 11.3371 11.3405 12.0781 12.0788 k = 0.3846-0.2142-0.0017 ( 9512 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3258 -22.3257 -22.2548 -22.2548 -21.9235 -21.9235 -21.5416 -21.5415 -19.3927 -19.3926 -19.3519 -19.3518 -7.0272 -7.0209 -6.2227 -6.2122 -6.1172 -6.1144 -5.9759 -5.9725 -5.2566 -5.2552 -4.9306 -4.9294 -3.5862 -3.5822 -3.1794 -3.1706 -2.7684 -2.7533 -2.7297 -2.7071 -2.1720 -2.1687 -1.4240 -1.4151 -1.3157 -1.3107 -0.9527 -0.9476 -0.3834 -0.3806 -0.3085 -0.3038 -0.0882 -0.0868 0.0611 0.0638 8.7243 8.7251 10.0353 10.0359 10.5189 10.5204 11.3770 11.3810 12.0609 12.0616 k = 0.3718-0.2071-0.0017 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3358 -22.3358 -22.2567 -22.2567 -21.9130 -21.9130 -21.5392 -21.5392 -19.3932 -19.3932 -19.3507 -19.3506 -7.0258 -7.0190 -6.2211 -6.2096 -6.1162 -6.1128 -5.9883 -5.9844 -5.2648 -5.2632 -4.9465 -4.9453 -3.6011 -3.5971 -3.1649 -3.1562 -2.7624 -2.7525 -2.7007 -2.6837 -2.1483 -2.1449 -1.4254 -1.4152 -1.3262 -1.3207 -0.9418 -0.9364 -0.3907 -0.3880 -0.3084 -0.3033 -0.0928 -0.0912 0.0652 0.0682 8.6414 8.6423 10.0507 10.0513 10.5307 10.5323 11.4206 11.4250 12.0417 12.0423 k = 0.3590-0.1999-0.0016 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3463 -22.3463 -22.2584 -22.2584 -21.9024 -21.9024 -21.5366 -21.5366 -19.3938 -19.3937 -19.3494 -19.3493 -7.0243 -7.0170 -6.2194 -6.2068 -6.1152 -6.1112 -6.0018 -5.9973 -5.2732 -5.2713 -4.9634 -4.9621 -3.6162 -3.6125 -3.1495 -3.1408 -2.7619 -2.7550 -2.6664 -2.6531 -2.1237 -2.1202 -1.4273 -1.4156 -1.3367 -1.3304 -0.9305 -0.9249 -0.3988 -0.3961 -0.3093 -0.3036 -0.0965 -0.0947 0.0695 0.0727 8.5571 8.5580 10.0677 10.0683 10.5375 10.5392 11.4667 11.4717 12.0204 12.0210 k = 0.3462-0.1928-0.0016 ( 9517 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3571 -22.3571 -22.2600 -22.2600 -21.8919 -21.8918 -21.5338 -21.5338 -19.3944 -19.3943 -19.3480 -19.3480 -7.0226 -7.0149 -6.2176 -6.2040 -6.1145 -6.1094 -6.0163 -6.0110 -5.2815 -5.2793 -4.9812 -4.9798 -3.6315 -3.6280 -3.1332 -3.1248 -2.7633 -2.7576 -2.6301 -2.6188 -2.0984 -2.0948 -1.4298 -1.4166 -1.3466 -1.3396 -0.9191 -0.9132 -0.4076 -0.4049 -0.3113 -0.3052 -0.0989 -0.0970 0.0739 0.0774 8.4720 8.4728 10.0863 10.0869 10.5396 10.5414 11.5142 11.5197 11.9973 11.9979 k = 0.3333-0.1856-0.0015 ( 9516 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3682 -22.3682 -22.2615 -22.2615 -21.8813 -21.8813 -21.5307 -21.5307 -19.3950 -19.3949 -19.3466 -19.3465 -7.0209 -7.0127 -6.2157 -6.2011 -6.1141 -6.1077 -6.0314 -6.0251 -5.2896 -5.2871 -4.9996 -4.9983 -3.6468 -3.6435 -3.1163 -3.1081 -2.7652 -2.7599 -2.5925 -2.5824 -2.0728 -2.0689 -1.4331 -1.4186 -1.3555 -1.3478 -0.9075 -0.9015 -0.4170 -0.4142 -0.3149 -0.3083 -0.0998 -0.0977 0.0784 0.0822 8.3866 8.3874 10.1062 10.1068 10.5376 10.5396 11.5617 11.5678 11.9722 11.9731 k = 0.3205-0.1785-0.0015 ( 9516 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3793 -22.3793 -22.2628 -22.2628 -21.8710 -21.8710 -21.5274 -21.5274 -19.3956 -19.3955 -19.3451 -19.3450 -7.0190 -7.0105 -6.2139 -6.1983 -6.1145 -6.1060 -6.0470 -6.0392 -5.2975 -5.2947 -5.0186 -5.0172 -3.6620 -3.6590 -3.0989 -3.0910 -2.7670 -2.7619 -2.5542 -2.5449 -2.0470 -2.0429 -1.4375 -1.4221 -1.3627 -1.3548 -0.8958 -0.8897 -0.4268 -0.4239 -0.3202 -0.3133 -0.0989 -0.0967 0.0830 0.0870 8.3015 8.3022 10.1273 10.1279 10.5322 10.5343 11.6081 11.6148 11.9455 11.9467 k = 0.3077-0.1714-0.0014 ( 9513 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3905 -22.3905 -22.2642 -22.2642 -21.8609 -21.8609 -21.5239 -21.5239 -19.3962 -19.3962 -19.3435 -19.3435 -7.0170 -7.0083 -6.2121 -6.1954 -6.1162 -6.1048 -6.0626 -6.0526 -5.3050 -5.3019 -5.0378 -5.0364 -3.6770 -3.6742 -3.0812 -3.0735 -2.7685 -2.7635 -2.5154 -2.5067 -2.0213 -2.0169 -1.4432 -1.4274 -1.3677 -1.3601 -0.8842 -0.8779 -0.4369 -0.4340 -0.3273 -0.3201 -0.0962 -0.0937 0.0876 0.0919 8.2169 8.2177 10.1493 10.1498 10.5242 10.5263 11.6522 11.6597 11.9172 11.9191 k = 0.2949-0.1642-0.0013 ( 9517 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4015 -22.4015 -22.2655 -22.2655 -21.8510 -21.8510 -21.5202 -21.5202 -19.3969 -19.3968 -19.3420 -19.3419 -7.0150 -7.0061 -6.2105 -6.1926 -6.1205 -6.1049 -6.0772 -6.0641 -5.3123 -5.3088 -5.0572 -5.0558 -3.6918 -3.6891 -3.0633 -3.0559 -2.7694 -2.7645 -2.4765 -2.4682 -1.9959 -1.9911 -1.4502 -1.4347 -1.3704 -1.3635 -0.8727 -0.8664 -0.4474 -0.4443 -0.3362 -0.3287 -0.0916 -0.0890 0.0922 0.0967 8.1334 8.1341 10.1716 10.1722 10.5143 10.5166 11.6928 11.7015 11.8876 11.8906 k = 0.2821-0.1571-0.0013 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4124 -22.4124 -22.2667 -22.2667 -21.8416 -21.8416 -21.5164 -21.5163 -19.3976 -19.3975 -19.3403 -19.3403 -7.0129 -7.0038 -6.2091 -6.1899 -6.1284 -6.1094 -6.0873 -6.0723 -5.3192 -5.3153 -5.0765 -5.0752 -3.7061 -3.7037 -3.0453 -3.0383 -2.7698 -2.7651 -2.4378 -2.4299 -1.9711 -1.9657 -1.4582 -1.4435 -1.3710 -1.3652 -0.8614 -0.8550 -0.4581 -0.4548 -0.3466 -0.3389 -0.0854 -0.0825 0.0967 0.1016 8.0511 8.0518 10.1938 10.1944 10.5038 10.5062 11.7284 11.7390 11.8570 11.8622 k = 0.2692-0.1499-0.0012 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4231 -22.4231 -22.2679 -22.2679 -21.8325 -21.8325 -21.5123 -21.5123 -19.3983 -19.3982 -19.3387 -19.3387 -7.0108 -7.0016 -6.2083 -6.1875 -6.1400 -6.1208 -6.0901 -6.0769 -5.3257 -5.3216 -5.0956 -5.0944 -3.7200 -3.7178 -3.0274 -3.0207 -2.7696 -2.7651 -2.3996 -2.3919 -1.9469 -1.9410 -1.4672 -1.4533 -1.3700 -1.3651 -0.8504 -0.8438 -0.4689 -0.4655 -0.3584 -0.3505 -0.0778 -0.0745 0.1012 0.1063 7.9704 7.9711 10.2148 10.2154 10.4941 10.4966 11.7560 11.7712 11.8262 11.8367 k = 0.2564-0.1428-0.0012 ( 9529 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4335 -22.4335 -22.2691 -22.2691 -21.8238 -21.8238 -21.5081 -21.5081 -19.3989 -19.3989 -19.3371 -19.3370 -7.0086 -6.9994 -6.2085 -6.1857 -6.1539 -6.1348 -6.0896 -6.0789 -5.3320 -5.3275 -5.1142 -5.1131 -3.7334 -3.7315 -3.0096 -3.0033 -2.7688 -2.7644 -2.3623 -2.3547 -1.9235 -1.9170 -1.4767 -1.4636 -1.3676 -1.3633 -0.8397 -0.8330 -0.4797 -0.4762 -0.3712 -0.3631 -0.0689 -0.0653 0.1056 0.1109 7.8917 7.8923 10.2331 10.2337 10.4869 10.4896 11.7648 11.7865 11.8062 11.8246 k = 0.2436-0.1357-0.0011 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4436 -22.4436 -22.2703 -22.2703 -21.8155 -21.8155 -21.5038 -21.5038 -19.3996 -19.3995 -19.3354 -19.3354 -7.0064 -6.9973 -6.2104 -6.1862 -6.1673 -6.1480 -6.0881 -6.0792 -5.3381 -5.3333 -5.1323 -5.1313 -3.7463 -3.7445 -2.9922 -2.9862 -2.7673 -2.7631 -2.3262 -2.3187 -1.9011 -1.8938 -1.4865 -1.4740 -1.3643 -1.3601 -0.8293 -0.8226 -0.4906 -0.4870 -0.3848 -0.3765 -0.0591 -0.0552 0.1099 0.1155 7.8150 7.8156 10.2468 10.2476 10.4847 10.4876 11.7472 11.7586 11.8235 11.8334 k = 0.2308-0.1285-0.0010 ( 9532 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4534 -22.4534 -22.2714 -22.2714 -21.8078 -21.8077 -21.4995 -21.4994 -19.4003 -19.4002 -19.3338 -19.3338 -7.0042 -6.9952 -6.2151 -6.1946 -6.1738 -6.1587 -6.0862 -6.0786 -5.3440 -5.3389 -5.1496 -5.1487 -3.7586 -3.7570 -2.9753 -2.9696 -2.7651 -2.7612 -2.2916 -2.2840 -1.8798 -1.8717 -1.4962 -1.4842 -1.3600 -1.3557 -0.8193 -0.8125 -0.5015 -0.4977 -0.3989 -0.3904 -0.0486 -0.0443 0.1140 0.1199 7.7407 7.7413 10.2540 10.2549 10.4897 10.4927 11.7193 11.7266 11.8391 11.8467 k = 0.2179-0.1214-0.0010 ( 9531 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4627 -22.4627 -22.2725 -22.2725 -21.8004 -21.8004 -21.4950 -21.4950 -19.4009 -19.4009 -19.3322 -19.3322 -7.0020 -6.9931 -6.2234 -6.2097 -6.1741 -6.1655 -6.0842 -6.0776 -5.3499 -5.3445 -5.1659 -5.1652 -3.7703 -3.7689 -2.9590 -2.9537 -2.7621 -2.7585 -2.2589 -2.2511 -1.8597 -1.8507 -1.5056 -1.4940 -1.3548 -1.3502 -0.8098 -0.8030 -0.5122 -0.5084 -0.4132 -0.4046 -0.0376 -0.0329 0.1181 0.1242 7.6690 7.6696 10.2538 10.2548 10.5032 10.5063 11.6890 11.6946 11.8495 11.8564 k = 0.2051-0.1142-0.0009 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4717 -22.4717 -22.2736 -22.2736 -21.7936 -21.7936 -21.4906 -21.4906 -19.4016 -19.4015 -19.3306 -19.3306 -6.9998 -6.9912 -6.2350 -6.2264 -6.1735 -6.1682 -6.0822 -6.0762 -5.3558 -5.3502 -5.1810 -5.1805 -3.7814 -3.7802 -2.9434 -2.9385 -2.7582 -2.7550 -2.2283 -2.2203 -1.8407 -1.8308 -1.5146 -1.5032 -1.3488 -1.3438 -0.8008 -0.7939 -0.5227 -0.5189 -0.4274 -0.4189 -0.0263 -0.0212 0.1220 0.1283 7.6002 7.6007 10.2468 10.2479 10.5249 10.5279 11.6584 11.6630 11.8542 11.8608 k = 0.1923-0.1071-0.0009 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4803 -22.4803 -22.2747 -22.2747 -21.7872 -21.7872 -21.4861 -21.4861 -19.4022 -19.4021 -19.3291 -19.3290 -6.9977 -6.9894 -6.2486 -6.2431 -6.1732 -6.1681 -6.0801 -6.0747 -5.3618 -5.3561 -5.1950 -5.1945 -3.7919 -3.7908 -2.9288 -2.9242 -2.7536 -2.7506 -2.2000 -2.1919 -1.8228 -1.8120 -1.5230 -1.5117 -1.3420 -1.3367 -0.7923 -0.7855 -0.5331 -0.5293 -0.4414 -0.4329 -0.0148 -0.0094 0.1257 0.1323 7.5343 7.5348 10.2347 10.2358 10.5533 10.5562 11.6281 11.6321 11.8532 11.8595 k = 0.1795-0.1000-0.0008 ( 9534 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4884 -22.4884 -22.2757 -22.2757 -21.7813 -21.7813 -21.4818 -21.4818 -19.4028 -19.4028 -19.3276 -19.3276 -6.9957 -6.9876 -6.2631 -6.2595 -6.1727 -6.1669 -6.0782 -6.0732 -5.3681 -5.3622 -5.2075 -5.2071 -3.8017 -3.8007 -2.9152 -2.9111 -2.7480 -2.7454 -2.1744 -2.1661 -1.8061 -1.7944 -1.5306 -1.5194 -1.3344 -1.3290 -0.7844 -0.7775 -0.5432 -0.5396 -0.4550 -0.4466 -0.0034 0.0023 0.1293 0.1361 7.4716 7.4721 10.2194 10.2204 10.5868 10.5897 11.5986 11.6023 11.8465 11.8524 k = 0.1667-0.0928-0.0008 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4960 -22.4960 -22.2766 -22.2766 -21.7759 -21.7759 -21.4775 -21.4775 -19.4034 -19.4033 -19.3262 -19.3261 -6.9937 -6.9860 -6.2777 -6.2753 -6.1718 -6.1654 -6.0763 -6.0717 -5.3745 -5.3687 -5.2186 -5.2182 -3.8108 -3.8099 -2.9028 -2.8991 -2.7415 -2.7393 -2.1516 -2.1432 -1.7905 -1.7780 -1.5374 -1.5261 -1.3263 -1.3207 -0.7771 -0.7702 -0.5530 -0.5496 -0.4679 -0.4597 0.0079 0.0139 0.1328 0.1397 7.4124 7.4128 10.2021 10.2031 10.6243 10.6272 11.5703 11.5736 11.8342 11.8396 k = 0.1538-0.0857-0.0007 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5031 -22.5031 -22.2775 -22.2775 -21.7709 -21.7709 -21.4733 -21.4733 -19.4039 -19.4039 -19.3248 -19.3248 -6.9917 -6.9845 -6.2920 -6.2903 -6.1706 -6.1639 -6.0745 -6.0702 -5.3811 -5.3754 -5.2282 -5.2278 -3.8193 -3.8185 -2.8916 -2.8884 -2.7342 -2.7324 -2.1318 -2.1233 -1.7758 -1.7627 -1.5432 -1.5320 -1.3177 -1.3122 -0.7705 -0.7635 -0.5624 -0.5594 -0.4801 -0.4722 0.0188 0.0251 0.1361 0.1431 7.3567 7.3571 10.1839 10.1849 10.6649 10.6677 11.5432 11.5464 11.8165 11.8215 k = 0.1410-0.0785-0.0006 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5097 -22.5097 -22.2783 -22.2783 -21.7664 -21.7664 -21.4694 -21.4694 -19.4045 -19.4044 -19.3235 -19.3235 -6.9899 -6.9831 -6.3058 -6.3045 -6.1693 -6.1626 -6.0728 -6.0688 -5.3879 -5.3823 -5.2364 -5.2360 -3.8270 -3.8263 -2.8818 -2.8789 -2.7262 -2.7248 -2.1148 -2.1065 -1.7620 -1.7484 -1.5480 -1.5368 -1.3088 -1.3034 -0.7644 -0.7575 -0.5715 -0.5688 -0.4913 -0.4839 0.0293 0.0357 0.1392 0.1463 7.3048 7.3052 10.1657 10.1665 10.7079 10.7107 11.5177 11.5208 11.7938 11.7983 k = 0.1282-0.0714-0.0006 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5158 -22.5158 -22.2791 -22.2791 -21.7623 -21.7623 -21.4656 -21.4656 -19.4049 -19.4049 -19.3223 -19.3223 -6.9882 -6.9819 -6.3188 -6.3177 -6.1679 -6.1613 -6.0712 -6.0675 -5.3946 -5.3894 -5.2432 -5.2428 -3.8341 -3.8335 -2.8733 -2.8708 -2.7176 -2.7165 -2.1008 -2.0927 -1.7490 -1.7354 -1.5518 -1.5408 -1.2998 -1.2946 -0.7589 -0.7521 -0.5803 -0.5778 -0.5015 -0.4946 0.0393 0.0458 0.1422 0.1493 7.2569 7.2572 10.1479 10.1487 10.7528 10.7557 11.4939 11.4970 11.7665 11.7704 k = 0.1154-0.0643-0.0005 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5214 -22.5214 -22.2799 -22.2799 -21.7587 -21.7587 -21.4621 -21.4621 -19.4054 -19.4054 -19.3212 -19.3212 -6.9865 -6.9808 -6.3309 -6.3299 -6.1665 -6.1602 -6.0697 -6.0663 -5.4013 -5.3964 -5.2487 -5.2483 -3.8405 -3.8399 -2.8660 -2.8639 -2.7087 -2.7079 -2.0895 -2.0818 -1.7369 -1.7235 -1.5546 -1.5440 -1.2909 -1.2860 -0.7541 -0.7474 -0.5886 -0.5863 -0.5106 -0.5044 0.0486 0.0551 0.1451 0.1521 7.2130 7.2132 10.1309 10.1316 10.7994 10.8023 11.4719 11.4750 11.7351 11.7384 k = 0.1026-0.0571-0.0005 ( 9531 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5264 -22.5264 -22.2805 -22.2805 -21.7554 -21.7554 -21.4588 -21.4588 -19.4058 -19.4058 -19.3202 -19.3202 -6.9850 -6.9799 -6.3420 -6.3410 -6.1651 -6.1593 -6.0683 -6.0652 -5.4077 -5.4032 -5.2532 -5.2528 -3.8462 -3.8457 -2.8598 -2.8580 -2.6998 -2.6992 -2.0807 -2.0735 -1.7257 -1.7128 -1.5565 -1.5463 -1.2822 -1.2777 -0.7498 -0.7433 -0.5964 -0.5942 -0.5186 -0.5131 0.0572 0.0636 0.1479 0.1546 7.1733 7.1735 10.1150 10.1157 10.8472 10.8501 11.4519 11.4552 11.7000 11.7028 k = 0.0897-0.0500-0.0004 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5308 -22.5308 -22.2811 -22.2811 -21.7526 -21.7526 -21.4559 -21.4559 -19.4062 -19.4062 -19.3193 -19.3192 -6.9836 -6.9791 -6.3519 -6.3509 -6.1638 -6.1586 -6.0671 -6.0643 -5.4137 -5.4097 -5.2567 -5.2564 -3.8512 -3.8508 -2.8547 -2.8532 -2.6911 -2.6907 -2.0740 -2.0675 -1.7154 -1.7034 -1.5575 -1.5481 -1.2739 -1.2700 -0.7461 -0.7398 -0.6037 -0.6014 -0.5255 -0.5207 0.0650 0.0711 0.1505 0.1569 7.1379 7.1381 10.1006 10.1012 10.8958 10.8987 11.4339 11.4374 11.6619 11.6641 k = 0.0769-0.0428-0.0003 ( 9534 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5347 -22.5347 -22.2816 -22.2816 -21.7502 -21.7502 -21.4533 -21.4533 -19.4065 -19.4065 -19.3185 -19.3184 -6.9823 -6.9784 -6.3605 -6.3597 -6.1626 -6.1580 -6.0660 -6.0636 -5.4192 -5.4157 -5.2595 -5.2592 -3.8556 -3.8551 -2.8504 -2.8492 -2.6828 -2.6825 -2.0692 -2.0634 -1.7063 -1.6954 -1.5578 -1.5493 -1.2664 -1.2629 -0.7429 -0.7370 -0.6103 -0.6079 -0.5313 -0.5273 0.0720 0.0776 0.1529 0.1588 7.1071 7.1072 10.0877 10.0882 10.9448 10.9479 11.4181 11.4219 11.6214 11.6232 k = 0.0641-0.0357-0.0003 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5379 -22.5379 -22.2821 -22.2821 -21.7482 -21.7482 -21.4510 -21.4510 -19.4068 -19.4068 -19.3178 -19.3178 -6.9812 -6.9779 -6.3679 -6.3672 -6.1615 -6.1575 -6.0650 -6.0630 -5.4239 -5.4210 -5.2616 -5.2613 -3.8592 -3.8589 -2.8470 -2.8460 -2.6753 -2.6751 -2.0658 -2.0609 -1.6982 -1.6888 -1.5576 -1.5502 -1.2596 -1.2566 -0.7401 -0.7348 -0.6161 -0.6136 -0.5361 -0.5328 0.0780 0.0830 0.1552 0.1604 7.0807 7.0809 10.0766 10.0770 10.9938 10.9968 11.4045 11.4087 11.5793 11.5808 k = 0.0513-0.0286-0.0002 ( 9536 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5406 -22.5406 -22.2824 -22.2824 -21.7465 -21.7465 -21.4492 -21.4492 -19.4070 -19.4070 -19.3172 -19.3172 -6.9802 -6.9775 -6.3740 -6.3734 -6.1605 -6.1572 -6.0642 -6.0625 -5.4279 -5.4255 -5.2632 -5.2629 -3.8622 -3.8619 -2.8443 -2.8435 -2.6688 -2.6687 -2.0635 -2.0595 -1.6914 -1.6836 -1.5569 -1.5508 -1.2537 -1.2513 -0.7378 -0.7332 -0.6209 -0.6185 -0.5398 -0.5372 0.0831 0.0873 0.1573 0.1617 7.0591 7.0592 10.0674 10.0677 11.0417 11.0448 11.3932 11.3980 11.5365 11.5381 k = 0.0385-0.0214-0.0002 ( 9536 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5427 -22.5427 -22.2827 -22.2827 -21.7452 -21.7452 -21.4477 -21.4477 -19.4072 -19.4072 -19.3168 -19.3168 -6.9794 -6.9773 -6.3788 -6.3783 -6.1596 -6.1571 -6.0635 -6.0622 -5.4310 -5.4292 -5.2643 -5.2641 -3.8645 -3.8643 -2.8422 -2.8417 -2.6636 -2.6634 -2.0619 -2.0590 -1.6858 -1.6799 -1.5559 -1.5512 -1.2490 -1.2472 -0.7358 -0.7322 -0.6246 -0.6226 -0.5426 -0.5407 0.0872 0.0905 0.1591 0.1625 7.0422 7.0423 10.0601 10.0604 11.0871 11.0902 11.3842 11.3896 11.4946 11.4968 k = 0.0256-0.0143-0.0001 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5442 -22.5442 -22.2829 -22.2829 -21.7443 -21.7443 -21.4466 -21.4466 -19.4073 -19.4073 -19.3164 -19.3164 -6.9786 -6.9773 -6.3822 -6.3818 -6.1588 -6.1572 -6.0629 -6.0621 -5.4332 -5.4320 -5.2650 -5.2649 -3.8661 -3.8660 -2.8408 -2.8404 -2.6596 -2.6595 -2.0609 -2.0589 -1.6815 -1.6775 -1.5549 -1.5517 -1.2454 -1.2442 -0.7342 -0.7317 -0.6271 -0.6257 -0.5445 -0.5433 0.0903 0.0926 0.1606 0.1630 7.0301 7.0301 10.0549 10.0551 11.1275 11.1303 11.3776 11.3836 11.4566 11.4597 k = 0.0128-0.0071-0.0001 ( 9541 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5451 -22.5451 -22.2831 -22.2831 -21.7438 -21.7438 -21.4460 -21.4460 -19.4074 -19.4074 -19.3162 -19.3162 -6.9781 -6.9774 -6.3842 -6.3840 -6.1582 -6.1574 -6.0625 -6.0621 -5.4344 -5.4338 -5.2654 -5.2654 -3.8671 -3.8670 -2.8399 -2.8397 -2.6572 -2.6572 -2.0602 -2.0592 -1.6786 -1.6765 -1.5539 -1.5523 -1.2431 -1.2425 -0.7330 -0.7317 -0.6285 -0.6277 -0.5455 -0.5449 0.0925 0.0936 0.1618 0.1630 7.0228 7.0228 10.0517 10.0518 11.1578 11.1596 11.3742 11.3792 11.4285 11.4316 k = 0.0000 0.0000 0.0000 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2831 -22.2831 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9777 -6.9777 -6.3848 -6.3848 -6.1577 -6.1577 -6.0622 -6.0622 -5.4346 -5.4346 -5.2655 -5.2655 -3.8674 -3.8674 -2.8395 -2.8395 -2.6564 -2.6564 -2.0596 -2.0596 -1.6769 -1.6769 -1.5530 -1.5530 -1.2422 -1.2422 -0.7321 -0.7321 -0.6287 -0.6287 -0.5456 -0.5456 0.0936 0.0936 0.1626 0.1626 7.0204 7.0204 10.0507 10.0507 11.1703 11.1703 11.3752 11.3752 11.4193 11.4193 k = 0.0000 0.0000 0.0000 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2831 -22.2831 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9777 -6.9777 -6.3848 -6.3848 -6.1577 -6.1577 -6.0622 -6.0622 -5.4346 -5.4346 -5.2655 -5.2655 -3.8674 -3.8674 -2.8395 -2.8395 -2.6564 -2.6564 -2.0596 -2.0596 -1.6769 -1.6769 -1.5530 -1.5530 -1.2422 -1.2422 -0.7321 -0.7321 -0.6287 -0.6287 -0.5456 -0.5456 0.0936 0.0936 0.1626 0.1626 7.0204 7.0204 10.0507 10.0507 11.1703 11.1703 11.3752 11.3752 11.4193 11.4193 k = 0.0000 0.0146-0.0002 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5451 -22.5451 -22.2831 -22.2831 -21.7439 -21.7439 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9783 -6.9772 -6.3843 -6.3842 -6.1588 -6.1568 -6.0625 -6.0620 -5.4350 -5.4345 -5.2650 -5.2645 -3.8671 -3.8669 -2.8407 -2.8404 -2.6567 -2.6564 -2.0601 -2.0596 -1.6774 -1.6767 -1.5544 -1.5531 -1.2427 -1.2418 -0.7329 -0.7318 -0.6289 -0.6275 -0.5455 -0.5448 0.0931 0.0935 0.1620 0.1624 7.0227 7.0228 10.0518 10.0519 11.1604 11.1616 11.3679 11.3695 11.4342 11.4372 k = 0.0000 0.0291-0.0004 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5443 -22.5443 -22.2830 -22.2830 -21.7448 -21.7448 -21.4460 -21.4460 -19.4073 -19.4073 -19.3164 -19.3164 -6.9791 -6.9769 -6.3828 -6.3824 -6.1599 -6.1560 -6.0628 -6.0618 -5.4357 -5.4345 -5.2629 -5.2619 -3.8662 -3.8658 -2.8440 -2.8434 -2.6572 -2.6567 -2.0610 -2.0600 -1.6782 -1.6767 -1.5571 -1.5546 -1.2433 -1.2415 -0.7340 -0.7319 -0.6280 -0.6254 -0.5443 -0.5430 0.0920 0.0928 0.1606 0.1613 7.0299 7.0300 10.0550 10.0552 11.1346 11.1366 11.3614 11.3629 11.4675 11.4716 k = 0.0000 0.0437-0.0006 ( 9543 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5428 -22.5428 -22.2828 -22.2828 -21.7464 -21.7464 -21.4463 -21.4463 -19.4072 -19.4072 -19.3168 -19.3168 -6.9800 -6.9767 -6.3802 -6.3797 -6.1612 -6.1554 -6.0633 -6.0617 -5.4365 -5.4348 -5.2593 -5.2578 -3.8645 -3.8639 -2.8493 -2.8484 -2.6581 -2.6573 -2.0625 -2.0610 -1.6792 -1.6769 -1.5613 -1.5575 -1.2441 -1.2414 -0.7355 -0.7325 -0.6261 -0.6224 -0.5421 -0.5403 0.0903 0.0914 0.1584 0.1595 7.0418 7.0420 10.0603 10.0606 11.0983 11.1006 11.3609 11.3621 11.5070 11.5119 k = 0.0000 0.0583-0.0008 ( 9542 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5408 -22.5408 -22.2825 -22.2825 -21.7485 -21.7485 -21.4468 -21.4468 -19.4070 -19.4070 -19.3172 -19.3172 -6.9811 -6.9767 -6.3765 -6.3759 -6.1626 -6.1549 -6.0638 -6.0616 -5.4375 -5.4352 -5.2541 -5.2522 -3.8622 -3.8614 -2.8566 -2.8554 -2.6593 -2.6583 -2.0649 -2.0628 -1.6804 -1.6773 -1.5668 -1.5617 -1.2449 -1.2414 -0.7375 -0.7336 -0.6232 -0.6186 -0.5389 -0.5366 0.0879 0.0894 0.1555 0.1569 7.0585 7.0587 10.0678 10.0682 11.0559 11.0583 11.3653 11.3664 11.5488 11.5543 k = 0.0000 0.0729-0.0010 ( 9542 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5382 -22.5382 -22.2821 -22.2821 -21.7513 -21.7513 -21.4473 -21.4473 -19.4067 -19.4067 -19.3178 -19.3178 -6.9823 -6.9769 -6.3718 -6.3710 -6.1641 -6.1546 -6.0643 -6.0616 -5.4386 -5.4358 -5.2475 -5.2451 -3.8591 -3.8581 -2.8657 -2.8642 -2.6607 -2.6595 -2.0683 -2.0658 -1.6816 -1.6776 -1.5734 -1.5670 -1.2459 -1.2416 -0.7399 -0.7354 -0.6192 -0.6140 -0.5345 -0.5318 0.0849 0.0867 0.1519 0.1537 7.0799 7.0801 10.0773 10.0778 11.0103 11.0127 11.3736 11.3746 11.5908 11.5968 k = 0.0000 0.0874-0.0012 ( 9535 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5351 -22.5351 -22.2817 -22.2817 -21.7546 -21.7546 -21.4479 -21.4479 -19.4064 -19.4064 -19.3185 -19.3184 -6.9836 -6.9772 -6.3661 -6.3652 -6.1657 -6.1545 -6.0650 -6.0616 -5.4397 -5.4364 -5.2394 -5.2366 -3.8554 -3.8541 -2.8765 -2.8747 -2.6625 -2.6610 -2.0732 -2.0702 -1.6828 -1.6779 -1.5809 -1.5733 -1.2469 -1.2418 -0.7428 -0.7377 -0.6143 -0.6088 -0.5291 -0.5260 0.0812 0.0833 0.1478 0.1499 7.1058 7.1061 10.0886 10.0893 10.9632 10.9655 11.3850 11.3859 11.6318 11.6382 k = 0.0000 0.1020-0.0014 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5314 -22.5314 -22.2812 -22.2812 -21.7586 -21.7586 -21.4487 -21.4487 -19.4061 -19.4060 -19.3193 -19.3192 -6.9850 -6.9777 -6.3594 -6.3584 -6.1674 -6.1544 -6.0658 -6.0616 -5.4409 -5.4371 -5.2299 -5.2267 -3.8510 -3.8494 -2.8889 -2.8868 -2.6645 -2.6628 -2.0799 -2.0764 -1.6839 -1.6781 -1.5892 -1.5801 -1.2479 -1.2422 -0.7462 -0.7408 -0.6085 -0.6029 -0.5224 -0.5191 0.0768 0.0791 0.1433 0.1455 7.1363 7.1367 10.1018 10.1025 10.9157 10.9178 11.3990 11.4000 11.6707 11.6776 k = 0.0000 0.1166-0.0016 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5271 -22.5271 -22.2807 -22.2807 -21.7631 -21.7631 -21.4495 -21.4495 -19.4057 -19.4056 -19.3202 -19.3201 -6.9866 -6.9784 -6.3519 -6.3507 -6.1692 -6.1546 -6.0667 -6.0617 -5.4419 -5.4378 -5.2191 -5.2155 -3.8459 -3.8440 -2.9027 -2.9003 -2.6668 -2.6648 -2.0886 -2.0847 -1.6851 -1.6782 -1.5977 -1.5872 -1.2489 -1.2426 -0.7502 -0.7445 -0.6019 -0.5963 -0.5146 -0.5112 0.0716 0.0741 0.1384 0.1408 7.1711 7.1716 10.1165 10.1174 10.8684 10.8703 11.4154 11.4165 11.7068 11.7141 k = 0.0000 0.1312-0.0018 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5223 -22.5223 -22.2800 -22.2800 -21.7683 -21.7683 -21.4504 -21.4504 -19.4052 -19.4052 -19.3212 -19.3212 -6.9882 -6.9792 -6.3435 -6.3421 -6.1710 -6.1548 -6.0677 -6.0618 -5.4429 -5.4383 -5.2069 -5.2031 -3.8401 -3.8379 -2.9178 -2.9150 -2.6694 -2.6672 -2.0998 -2.0954 -1.6868 -1.6789 -1.6057 -1.5939 -1.2499 -1.2431 -0.7549 -0.7489 -0.5945 -0.5893 -0.5057 -0.5023 0.0658 0.0683 0.1333 0.1358 7.2103 7.2108 10.1327 10.1337 10.8217 10.8235 11.4340 11.4353 11.7394 11.7471 k = 0.0000 0.1457-0.0020 ( 9517 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5170 -22.5170 -22.2793 -22.2793 -21.7740 -21.7740 -21.4514 -21.4514 -19.4047 -19.4047 -19.3223 -19.3223 -6.9899 -6.9802 -6.3343 -6.3328 -6.1729 -6.1552 -6.0688 -6.0619 -5.4436 -5.4388 -5.1936 -5.1894 -3.8336 -3.8311 -2.9339 -2.9308 -2.6723 -2.6698 -2.1135 -2.1088 -1.6894 -1.6808 -1.6123 -1.5995 -1.2509 -1.2436 -0.7602 -0.7540 -0.5865 -0.5816 -0.4957 -0.4923 0.0592 0.0617 0.1281 0.1305 7.2536 7.2542 10.1500 10.1511 10.7762 10.7777 11.4547 11.4561 11.7679 11.7760 k = 0.0000 0.1603-0.0022 ( 9514 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5111 -22.5111 -22.2786 -22.2786 -21.7803 -21.7803 -21.4524 -21.4524 -19.4042 -19.4041 -19.3235 -19.3235 -6.9918 -6.9814 -6.3245 -6.3227 -6.1748 -6.1556 -6.0700 -6.0621 -5.4441 -5.4390 -5.1790 -5.1746 -3.8265 -3.8236 -2.9511 -2.9476 -2.6755 -2.6727 -2.1299 -2.1248 -1.6938 -1.6852 -1.6160 -1.6030 -1.2518 -1.2441 -0.7662 -0.7598 -0.5779 -0.5735 -0.4848 -0.4814 0.0519 0.0543 0.1227 0.1251 7.3009 7.3016 10.1682 10.1694 10.7322 10.7335 11.4772 11.4787 11.7919 11.8002 k = 0.0000 0.1749-0.0024 ( 9512 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5047 -22.5047 -22.2778 -22.2778 -21.7872 -21.7872 -21.4535 -21.4535 -19.4036 -19.4036 -19.3248 -19.3248 -6.9937 -6.9827 -6.3142 -6.3119 -6.1767 -6.1562 -6.0714 -6.0623 -5.4443 -5.4390 -5.1634 -5.1588 -3.8187 -3.8154 -2.9690 -2.9652 -2.6789 -2.6759 -2.1490 -2.1436 -1.7007 -1.6929 -1.6161 -1.6037 -1.2526 -1.2445 -0.7729 -0.7664 -0.5689 -0.5648 -0.4730 -0.4696 0.0440 0.0463 0.1173 0.1196 7.3522 7.3529 10.1867 10.1882 10.6900 10.6911 11.5014 11.5031 11.8110 11.8195 k = 0.0000 0.1895-0.0026 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4978 -22.4978 -22.2769 -22.2769 -21.7947 -21.7947 -21.4547 -21.4547 -19.4030 -19.4030 -19.3261 -19.3261 -6.9956 -6.9842 -6.3035 -6.3006 -6.1786 -6.1567 -6.0729 -6.0625 -5.4442 -5.4386 -5.1467 -5.1419 -3.8102 -3.8065 -2.9877 -2.9835 -2.6825 -2.6793 -2.1708 -2.1651 -1.7103 -1.7037 -1.6125 -1.6013 -1.2533 -1.2449 -0.7803 -0.7736 -0.5593 -0.5557 -0.4604 -0.4571 0.0356 0.0378 0.1119 0.1140 7.4071 7.4079 10.2052 10.2068 10.6502 10.6510 11.5271 11.5289 11.8249 11.8335 k = 0.0000 0.2040-0.0028 ( 9517 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4905 -22.4905 -22.2760 -22.2760 -21.8027 -21.8027 -21.4559 -21.4559 -19.4024 -19.4023 -19.3276 -19.3275 -6.9976 -6.9858 -6.2924 -6.2889 -6.1804 -6.1571 -6.0745 -6.0628 -5.4436 -5.4379 -5.1291 -5.1241 -3.8011 -3.7970 -3.0069 -3.0023 -2.6865 -2.6829 -2.1950 -2.1891 -1.7225 -1.7170 -1.6059 -1.5961 -1.2538 -1.2452 -0.7883 -0.7815 -0.5494 -0.5461 -0.4473 -0.4441 0.0268 0.0288 0.1064 0.1084 7.4656 7.4664 10.2228 10.2246 10.6132 10.6138 11.5541 11.5561 11.8336 11.8422 k = 0.0000 0.2186-0.0030 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4826 -22.4826 -22.2750 -22.2750 -21.8112 -21.8112 -21.4571 -21.4571 -19.4017 -19.4016 -19.3291 -19.3290 -6.9997 -6.9875 -6.2813 -6.2770 -6.1820 -6.1573 -6.0763 -6.0630 -5.4425 -5.4367 -5.1105 -5.1054 -3.7914 -3.7868 -3.0265 -3.0215 -2.6907 -2.6868 -2.2216 -2.2155 -1.7369 -1.7321 -1.5971 -1.5884 -1.2543 -1.2454 -0.7970 -0.7901 -0.5392 -0.5361 -0.4338 -0.4305 0.0177 0.0196 0.1009 0.1028 7.5274 7.5283 10.2386 10.2406 10.5798 10.5803 11.5821 11.5843 11.8371 11.8458 k = 0.0000 0.2332-0.0032 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4743 -22.4743 -22.2740 -22.2740 -21.8202 -21.8202 -21.4583 -21.4583 -19.4010 -19.4010 -19.3306 -19.3306 -7.0018 -6.9894 -6.2704 -6.2650 -6.1835 -6.1573 -6.0781 -6.0631 -5.4409 -5.4351 -5.0912 -5.0859 -3.7811 -3.7760 -3.0465 -3.0411 -2.6951 -2.6910 -2.2502 -2.2439 -1.7529 -1.7486 -1.5866 -1.5789 -1.2545 -1.2455 -0.8063 -0.7993 -0.5287 -0.5257 -0.4201 -0.4168 0.0085 0.0103 0.0953 0.0971 7.5925 7.5934 10.2515 10.2537 10.5510 10.5515 11.6109 11.6134 11.8358 11.8446 k = 0.0000 0.2478-0.0034 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4656 -22.4656 -22.2729 -22.2729 -21.8298 -21.8297 -21.4595 -21.4595 -19.4003 -19.4002 -19.3322 -19.3321 -7.0039 -6.9914 -6.2599 -6.2531 -6.1845 -6.1566 -6.0800 -6.0632 -5.4388 -5.4330 -5.0711 -5.0658 -3.7702 -3.7645 -3.0668 -3.0609 -2.6998 -2.6953 -2.2806 -2.2742 -1.7703 -1.7661 -1.5749 -1.5679 -1.2546 -1.2454 -0.8162 -0.8091 -0.5180 -0.5150 -0.4063 -0.4029 -0.0006 0.0012 0.0895 0.0914 7.6605 7.6615 10.2598 10.2621 10.5280 10.5286 11.6399 11.6430 11.8298 11.8389 k = 0.0000 0.2623-0.0036 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4564 -22.4564 -22.2718 -22.2718 -21.8398 -21.8397 -21.4607 -21.4607 -19.3996 -19.3995 -19.3338 -19.3337 -7.0061 -6.9934 -6.2503 -6.2418 -6.1850 -6.1551 -6.0821 -6.0632 -5.4360 -5.4303 -5.0504 -5.0451 -3.7588 -3.7525 -3.0872 -3.0808 -2.7047 -2.6999 -2.3126 -2.3061 -1.7886 -1.7845 -1.5623 -1.5558 -1.2545 -1.2452 -0.8267 -0.8194 -0.5071 -0.5040 -0.3927 -0.3893 -0.0094 -0.0075 0.0837 0.0856 7.7313 7.7324 10.2620 10.2645 10.5121 10.5128 11.6685 11.6726 11.8199 11.8297 k = 0.0000 0.2769-0.0038 ( 9538 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4469 -22.4469 -22.2707 -22.2707 -21.8502 -21.8502 -21.4620 -21.4619 -19.3988 -19.3988 -19.3354 -19.3354 -7.0082 -6.9956 -6.2420 -6.2314 -6.1846 -6.1525 -6.0841 -6.0630 -5.4327 -5.4270 -5.0292 -5.0239 -3.7469 -3.7400 -3.1076 -3.1008 -2.7099 -2.7047 -2.3457 -2.3392 -1.8077 -1.8034 -1.5489 -1.5429 -1.2543 -1.2448 -0.8376 -0.8303 -0.4960 -0.4929 -0.3795 -0.3759 -0.0177 -0.0157 0.0778 0.0797 7.8047 7.8059 10.2575 10.2599 10.5038 10.5045 11.6952 11.7013 11.8069 11.8183 k = 0.0000 0.2915-0.0040 ( 9536 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4370 -22.4370 -22.2695 -22.2695 -21.8611 -21.8611 -21.4631 -21.4631 -19.3981 -19.3980 -19.3371 -19.3370 -7.0103 -6.9978 -6.2354 -6.2227 -6.1828 -6.1483 -6.0862 -6.0625 -5.4287 -5.4231 -5.0077 -5.0024 -3.7345 -3.7270 -3.1279 -3.1207 -2.7153 -2.7097 -2.3798 -2.3732 -1.8273 -1.8229 -1.5350 -1.5294 -1.2538 -1.2442 -0.8491 -0.8416 -0.4848 -0.4816 -0.3669 -0.3632 -0.0253 -0.0232 0.0717 0.0738 7.8805 7.8817 10.2466 10.2488 10.5023 10.5028 11.7162 11.7262 11.7939 11.8085 k = 0.0000 0.3061-0.0042 ( 9535 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4267 -22.4267 -22.2682 -22.2682 -21.8724 -21.8724 -21.4643 -21.4643 -19.3973 -19.3973 -19.3387 -19.3387 -7.0124 -7.0001 -6.2308 -6.2163 -6.1791 -6.1424 -6.0883 -6.0617 -5.4241 -5.4187 -4.9858 -4.9806 -3.7218 -3.7136 -3.1482 -3.1404 -2.7210 -2.7149 -2.4145 -2.4079 -1.8472 -1.8426 -1.5208 -1.5155 -1.2532 -1.2434 -0.8609 -0.8533 -0.4736 -0.4703 -0.3552 -0.3513 -0.0320 -0.0297 0.0656 0.0678 7.9584 7.9596 10.2308 10.2328 10.5054 10.5059 11.7230 11.7356 11.7924 11.8089 k = 0.0000 0.3206-0.0044 ( 9536 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4162 -22.4162 -22.2669 -22.2669 -21.8840 -21.8840 -21.4655 -21.4655 -19.3966 -19.3965 -19.3403 -19.3403 -7.0145 -7.0024 -6.2279 -6.2125 -6.1735 -6.1350 -6.0903 -6.0606 -5.4188 -5.4136 -4.9638 -4.9587 -3.7087 -3.6999 -3.1682 -3.1599 -2.7269 -2.7203 -2.4496 -2.4430 -1.8673 -1.8626 -1.5063 -1.5013 -1.2524 -1.2424 -0.8731 -0.8655 -0.4625 -0.4590 -0.3445 -0.3403 -0.0376 -0.0351 0.0593 0.0618 8.0381 8.0394 10.2119 10.2137 10.5111 10.5116 11.7110 11.7206 11.8112 11.8242 k = 0.0000 0.3352-0.0046 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4055 -22.4055 -22.2656 -22.2656 -21.8960 -21.8960 -21.4666 -21.4666 -19.3959 -19.3958 -19.3419 -19.3419 -7.0165 -7.0047 -6.2265 -6.2109 -6.1667 -6.1266 -6.0920 -6.0589 -5.4130 -5.4080 -4.9418 -4.9368 -3.6953 -3.6858 -3.1879 -3.1790 -2.7331 -2.7259 -2.4846 -2.4781 -1.8873 -1.8826 -1.4918 -1.4870 -1.2513 -1.2412 -0.8857 -0.8779 -0.4514 -0.4478 -0.3350 -0.3306 -0.0419 -0.0392 0.0530 0.0556 8.1194 8.1208 10.1914 10.1929 10.5173 10.5178 11.6872 11.6943 11.8375 11.8476 k = 0.0000 0.3498-0.0048 ( 9536 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3945 -22.3945 -22.2641 -22.2641 -21.9082 -21.9082 -21.4676 -21.4676 -19.3951 -19.3951 -19.3435 -19.3435 -7.0185 -7.0070 -6.2262 -6.2107 -6.1597 -6.1179 -6.0932 -6.0567 -5.4066 -5.4018 -4.9200 -4.9150 -3.6818 -3.6716 -3.2071 -3.1977 -2.7396 -2.7318 -2.5194 -2.5129 -1.9073 -1.9024 -1.4774 -1.4728 -1.2501 -1.2397 -0.8984 -0.8906 -0.4405 -0.4368 -0.3268 -0.3222 -0.0447 -0.0419 0.0466 0.0494 8.2021 8.2035 10.1702 10.1715 10.5225 10.5230 11.6574 11.6631 11.8650 11.8734 k = 0.0000 0.3644-0.0050 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3834 -22.3834 -22.2625 -22.2625 -21.9208 -21.9208 -21.4687 -21.4686 -19.3944 -19.3944 -19.3451 -19.3450 -7.0204 -7.0094 -6.2266 -6.2114 -6.1530 -6.1104 -6.0926 -6.0539 -5.3997 -5.3951 -4.8984 -4.8936 -3.6682 -3.6573 -3.2259 -3.2158 -2.7465 -2.7378 -2.5535 -2.5471 -1.9268 -1.9220 -1.4632 -1.4587 -1.2486 -1.2380 -0.9114 -0.9035 -0.4300 -0.4260 -0.3201 -0.3152 -0.0461 -0.0432 0.0401 0.0432 8.2857 8.2872 10.1492 10.1504 10.5254 10.5260 11.6241 11.6289 11.8921 11.8995 k = 0.0000 0.3789-0.0052 ( 9538 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3723 -22.3723 -22.2608 -22.2608 -21.9335 -21.9335 -21.4696 -21.4696 -19.3937 -19.3937 -19.3466 -19.3465 -7.0221 -7.0117 -6.2274 -6.2127 -6.1471 -6.1066 -6.0881 -6.0505 -5.3924 -5.3881 -4.8773 -4.8727 -3.6546 -3.6430 -3.2440 -3.2333 -2.7538 -2.7441 -2.5866 -2.5803 -1.9459 -1.9411 -1.4492 -1.4448 -1.2468 -1.2361 -0.9245 -0.9166 -0.4198 -0.4157 -0.3147 -0.3095 -0.0461 -0.0430 0.0337 0.0370 8.3700 8.3715 10.1289 10.1298 10.5251 10.5259 11.5887 11.5928 11.9183 11.9249 k = 0.0000 0.3935-0.0054 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3612 -22.3612 -22.2589 -22.2589 -21.9464 -21.9464 -21.4705 -21.4705 -19.3930 -19.3930 -19.3480 -19.3480 -7.0238 -7.0139 -6.2284 -6.2144 -6.1420 -6.1064 -6.0802 -6.0465 -5.3848 -5.3807 -4.8567 -4.8524 -3.6411 -3.6289 -3.2613 -3.2501 -2.7616 -2.7507 -2.6185 -2.6120 -1.9644 -1.9595 -1.4357 -1.4313 -1.2448 -1.2338 -0.9376 -0.9297 -0.4102 -0.4059 -0.3105 -0.3050 -0.0448 -0.0416 0.0274 0.0309 8.4546 8.4561 10.1095 10.1103 10.5209 10.5217 11.5524 11.5560 11.9432 11.9492 k = 0.0000 0.4081-0.0056 ( 9532 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3503 -22.3503 -22.2568 -22.2568 -21.9593 -21.9593 -21.4714 -21.4714 -19.3924 -19.3923 -19.3494 -19.3494 -7.0254 -7.0161 -6.2296 -6.2164 -6.1379 -6.1075 -6.0712 -6.0421 -5.3770 -5.3732 -4.8370 -4.8329 -3.6279 -3.6152 -3.2777 -3.2659 -2.7701 -2.7577 -2.6486 -2.6416 -1.9820 -1.9773 -1.4227 -1.4184 -1.2424 -1.2313 -0.9507 -0.9428 -0.4012 -0.3968 -0.3073 -0.3016 -0.0423 -0.0391 0.0211 0.0248 8.5389 8.5404 10.0913 10.0919 10.5122 10.5130 11.5162 11.5193 11.9666 11.9721 k = 0.0000 0.4227-0.0058 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3397 -22.3397 -22.2543 -22.2543 -21.9723 -21.9723 -21.4722 -21.4722 -19.3918 -19.3917 -19.3507 -19.3507 -7.0268 -7.0182 -6.2308 -6.2184 -6.1346 -6.1090 -6.0623 -6.0374 -5.3691 -5.3655 -4.8182 -4.8143 -3.6151 -3.6019 -3.2930 -3.2808 -2.7796 -2.7654 -2.6766 -2.6687 -1.9987 -1.9941 -1.4103 -1.4060 -1.2398 -1.2285 -0.9637 -0.9558 -0.3931 -0.3885 -0.3048 -0.2988 -0.0391 -0.0357 0.0150 0.0190 8.6225 8.6240 10.0744 10.0749 10.4985 10.4994 11.4811 11.4838 11.9882 11.9932 k = 0.0000 0.4372-0.0060 ( 9523 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3297 -22.3297 -22.2514 -22.2514 -21.9852 -21.9852 -21.4729 -21.4729 -19.3912 -19.3911 -19.3519 -19.3519 -7.0281 -7.0202 -6.2320 -6.2206 -6.1320 -6.1106 -6.0537 -6.0327 -5.3613 -5.3580 -4.8005 -4.7969 -3.6029 -3.5894 -3.3071 -3.2946 -2.7902 -2.7742 -2.7016 -2.6925 -2.0142 -2.0099 -1.3988 -1.3945 -1.2367 -1.2254 -0.9763 -0.9686 -0.3858 -0.3812 -0.3027 -0.2966 -0.0353 -0.0318 0.0091 0.0134 8.7048 8.7063 10.0590 10.0595 10.4798 10.4807 11.4480 11.4504 12.0080 12.0125 k = 0.0000 0.4518-0.0062 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3204 -22.3204 -22.2478 -22.2478 -21.9980 -21.9980 -21.4735 -21.4735 -19.3906 -19.3906 -19.3530 -19.3530 -7.0292 -7.0221 -6.2330 -6.2227 -6.1300 -6.1123 -6.0458 -6.0281 -5.3537 -5.3507 -4.7840 -4.7807 -3.5913 -3.5778 -3.3198 -3.3071 -2.8021 -2.7847 -2.7228 -2.7126 -2.0285 -2.0245 -1.3880 -1.3838 -1.2332 -1.2220 -0.9886 -0.9811 -0.3796 -0.3750 -0.3007 -0.2946 -0.0314 -0.0276 0.0035 0.0083 8.7849 8.7863 10.0453 10.0456 10.4562 10.4572 11.4178 11.4199 12.0259 12.0299 k = 0.0000 0.4664-0.0064 ( 9519 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3122 -22.3122 -22.2436 -22.2436 -22.0104 -22.0104 -21.4741 -21.4741 -19.3901 -19.3901 -19.3540 -19.3540 -7.0302 -7.0239 -6.2339 -6.2247 -6.1284 -6.1139 -6.0385 -6.0238 -5.3465 -5.3438 -4.7690 -4.7661 -3.5806 -3.5674 -3.3309 -3.3184 -2.8150 -2.7973 -2.7394 -2.7289 -2.0415 -2.0377 -1.3783 -1.3742 -1.2294 -1.2184 -1.0004 -0.9931 -0.3746 -0.3701 -0.2985 -0.2926 -0.0277 -0.0234 -0.0015 0.0038 8.8620 8.8633 10.0332 10.0334 10.4285 10.4294 11.3909 11.3927 12.0418 12.0453 k = 0.0000 0.4809-0.0066 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3051 -22.3051 -22.2387 -22.2387 -22.0223 -22.0223 -21.4746 -21.4746 -19.3897 -19.3897 -19.3549 -19.3549 -7.0310 -7.0255 -6.2347 -6.2267 -6.1272 -6.1154 -6.0320 -6.0200 -5.3398 -5.3374 -4.7556 -4.7530 -3.5709 -3.5583 -3.3403 -3.3283 -2.8282 -2.8117 -2.7514 -2.7417 -2.0528 -2.0495 -1.3697 -1.3658 -1.2251 -1.2147 -1.0114 -1.0045 -0.3705 -0.3664 -0.2961 -0.2906 -0.0248 -0.0198 -0.0057 0.0002 8.9348 8.9360 10.0229 10.0230 10.3975 10.3984 11.3677 11.3692 12.0556 12.0587 k = 0.0000 0.4955-0.0068 ( 9508 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2994 -22.2994 -22.2333 -22.2333 -22.0335 -22.0335 -21.4751 -21.4751 -19.3893 -19.3893 -19.3557 -19.3557 -7.0316 -7.0270 -6.2353 -6.2285 -6.1262 -6.1168 -6.0264 -6.0167 -5.3338 -5.3318 -4.7439 -4.7418 -3.5624 -3.5507 -3.3479 -3.3368 -2.8409 -2.8266 -2.7598 -2.7516 -2.0626 -2.0597 -1.3622 -1.3587 -1.2206 -1.2111 -1.0214 -1.0150 -0.3675 -0.3639 -0.2934 -0.2886 -0.0229 -0.0177 -0.0081 -0.0020 9.0019 9.0030 10.0144 10.0145 10.3649 10.3657 11.3484 11.3496 12.0674 12.0699 k = 0.0000 0.5101-0.0070 ( 9503 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2950 -22.2950 -22.2275 -22.2275 -22.0436 -22.0436 -21.4754 -21.4754 -19.3890 -19.3889 -19.3564 -19.3563 -7.0320 -7.0283 -6.2356 -6.2301 -6.1253 -6.1181 -6.0216 -6.0141 -5.3286 -5.3270 -4.7341 -4.7324 -3.5550 -3.5449 -3.3536 -3.3439 -2.8522 -2.8405 -2.7656 -2.7591 -2.0707 -2.0683 -1.3559 -1.3529 -1.2160 -1.2077 -1.0302 -1.0246 -0.3653 -0.3623 -0.2908 -0.2867 -0.0225 -0.0185 -0.0076 -0.0028 9.0615 9.0625 10.0077 10.0078 10.3326 10.3334 11.3329 11.3339 12.0770 12.0791 k = 0.0000 0.5247-0.0072 ( 9496 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2918 -22.2918 -22.2220 -22.2220 -22.0523 -22.0523 -21.4757 -21.4757 -19.3887 -19.3887 -19.3569 -19.3568 -7.0322 -7.0294 -6.2357 -6.2316 -6.1246 -6.1192 -6.0176 -6.0121 -5.3244 -5.3232 -4.7263 -4.7250 -3.5489 -3.5408 -3.3575 -3.3497 -2.8613 -2.8524 -2.7696 -2.7648 -2.0769 -2.0751 -1.3509 -1.3486 -1.2116 -1.2048 -1.0373 -1.0327 -0.3637 -0.3615 -0.2882 -0.2851 -0.0231 -0.0206 -0.0056 -0.0025 9.1115 9.1124 10.0028 10.0029 10.3031 10.3038 11.3211 11.3218 12.0846 12.0862 k = 0.0000 0.5392-0.0074 ( 9497 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2897 -22.2897 -22.2174 -22.2174 -22.0591 -22.0591 -21.4759 -21.4759 -19.3885 -19.3885 -19.3572 -19.3572 -7.0322 -7.0303 -6.2356 -6.2329 -6.1238 -6.1203 -6.0146 -6.0110 -5.3213 -5.3204 -4.7206 -4.7197 -3.5440 -3.5384 -3.3597 -3.3542 -2.8677 -2.8617 -2.7721 -2.7689 -2.0814 -2.0801 -1.3472 -1.3456 -1.2077 -1.2029 -1.0424 -1.0392 -0.3626 -0.3611 -0.2861 -0.2840 -0.0240 -0.0225 -0.0037 -0.0019 9.1497 9.1503 9.9996 9.9997 10.2791 10.2796 11.3128 11.3133 12.0901 12.0911 k = 0.0000 0.5538-0.0076 ( 9502 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2884 -22.2884 -22.2143 -22.2143 -22.0634 -22.0634 -21.4760 -21.4760 -19.3884 -19.3884 -19.3575 -19.3575 -7.0320 -7.0311 -6.2353 -6.2339 -6.1230 -6.1213 -6.0124 -6.0106 -5.3192 -5.3188 -4.7171 -4.7166 -3.5405 -3.5376 -3.3603 -3.3575 -2.8711 -2.8680 -2.7732 -2.7717 -2.0839 -2.0833 -1.3448 -1.3440 -1.2046 -1.2021 -1.0453 -1.0436 -0.3619 -0.3611 -0.2845 -0.2835 -0.0246 -0.0239 -0.0023 -0.0015 9.1738 9.1741 9.9979 9.9979 10.2634 10.2637 11.3080 11.3083 12.0935 12.0940 k = 0.0000 0.5684-0.0078 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2880 -22.2880 -22.2132 -22.2132 -22.0649 -22.0649 -21.4761 -21.4761 -19.3884 -19.3884 -19.3575 -19.3575 -7.0317 -7.0317 -6.2347 -6.2347 -6.1222 -6.1222 -6.0111 -6.0111 -5.3184 -5.3184 -4.7157 -4.7157 -3.5383 -3.5383 -3.3595 -3.3595 -2.8712 -2.8712 -2.7731 -2.7731 -2.0846 -2.0846 -1.3437 -1.3437 -1.2027 -1.2027 -1.0457 -1.0457 -0.3614 -0.3614 -0.2836 -0.2836 -0.0246 -0.0246 -0.0016 -0.0016 9.1821 9.1821 9.9974 9.9974 10.2580 10.2580 11.3065 11.3065 12.0948 12.0948 k = 0.5000 0.2899-0.0101 ( 9498 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2962 -22.2962 -22.2677 -22.2677 -21.8066 -21.8066 -21.6811 -21.6811 -19.3881 -19.3881 -19.3585 -19.3585 -7.0367 -7.0367 -6.2354 -6.2354 -6.1536 -6.1536 -5.9692 -5.9692 -5.2546 -5.2546 -4.7954 -4.7954 -3.6476 -3.6476 -3.2628 -3.2628 -2.7628 -2.7628 -2.3633 -2.3633 -2.2237 -2.2237 -1.7374 -1.7374 -1.1766 -1.1766 -1.0286 -1.0286 -0.4120 -0.4120 -0.2947 -0.2947 -0.0222 -0.0222 0.0225 0.0225 9.1467 9.1467 10.0323 10.0323 10.4079 10.4079 11.2531 11.2531 11.9142 11.9142 k = 0.4875 0.2827-0.0098 ( 9502 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2969 -22.2969 -22.2676 -22.2676 -21.8063 -21.8063 -21.6808 -21.6808 -19.3881 -19.3881 -19.3584 -19.3584 -7.0368 -7.0364 -6.2358 -6.2348 -6.1554 -6.1518 -5.9707 -5.9687 -5.2560 -5.2543 -4.7976 -4.7958 -3.6484 -3.6473 -3.2619 -3.2613 -2.7621 -2.7607 -2.3704 -2.3656 -2.2212 -2.2162 -1.7373 -1.7368 -1.1785 -1.1766 -1.0282 -1.0269 -0.4119 -0.4117 -0.2954 -0.2946 -0.0230 -0.0220 0.0217 0.0231 9.1401 9.1402 10.0326 10.0327 10.4108 10.4112 11.2557 11.2565 11.9131 11.9136 k = 0.4750 0.2754-0.0096 ( 9496 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2991 -22.2991 -22.2672 -22.2672 -21.8053 -21.8053 -21.6798 -21.6798 -19.3882 -19.3882 -19.3582 -19.3582 -7.0367 -7.0359 -6.2359 -6.2339 -6.1570 -6.1498 -5.9731 -5.9690 -5.2582 -5.2548 -4.8021 -4.7985 -3.6498 -3.6477 -3.2586 -3.2576 -2.7584 -2.7556 -2.3847 -2.3765 -2.2098 -2.2012 -1.7367 -1.7355 -1.1823 -1.1786 -1.0255 -1.0230 -0.4114 -0.4109 -0.2966 -0.2949 -0.0244 -0.0224 0.0208 0.0237 9.1207 9.1209 10.0336 10.0337 10.4193 10.4201 11.2641 11.2657 11.9102 11.9112 k = 0.4625 0.2682-0.0093 ( 9499 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3026 -22.3026 -22.2666 -22.2666 -21.8038 -21.8038 -21.6782 -21.6782 -19.3883 -19.3883 -19.3579 -19.3579 -7.0364 -7.0352 -6.2358 -6.2328 -6.1586 -6.1478 -5.9765 -5.9703 -5.2614 -5.2563 -4.8089 -4.8036 -3.6518 -3.6488 -3.2531 -3.2516 -2.7517 -2.7476 -2.4029 -2.3929 -2.1924 -2.1818 -1.7354 -1.7336 -1.1877 -1.1824 -1.0208 -1.0173 -0.4105 -0.4098 -0.2983 -0.2957 -0.0265 -0.0236 0.0200 0.0242 9.0893 9.0896 10.0357 10.0359 10.4322 10.4333 11.2785 11.2810 11.9056 11.9070 k = 0.4500 0.2609-0.0091 ( 9494 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3071 -22.3071 -22.2661 -22.2661 -21.8017 -21.8017 -21.6759 -21.6759 -19.3885 -19.3885 -19.3575 -19.3575 -7.0359 -7.0344 -6.2354 -6.2314 -6.1602 -6.1457 -5.9809 -5.9725 -5.2653 -5.2586 -4.8180 -4.8110 -3.6545 -3.6505 -3.2456 -3.2436 -2.7421 -2.7368 -2.4229 -2.4121 -2.1720 -2.1603 -1.7333 -1.7310 -1.1943 -1.1877 -1.0143 -1.0101 -0.4093 -0.4083 -0.3004 -0.2969 -0.0294 -0.0256 0.0194 0.0249 9.0473 9.0477 10.0393 10.0396 10.4476 10.4491 11.2989 11.3022 11.8992 11.9012 k = 0.4375 0.2537-0.0088 ( 9491 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3126 -22.3126 -22.2656 -22.2656 -21.7992 -21.7992 -21.6730 -21.6729 -19.3888 -19.3887 -19.3569 -19.3569 -7.0352 -7.0333 -6.2349 -6.2299 -6.1617 -6.1434 -5.9862 -5.9756 -5.2700 -5.2618 -4.8291 -4.8205 -3.6577 -3.6528 -3.2361 -3.2338 -2.7295 -2.7231 -2.4434 -2.4324 -2.1501 -2.1379 -1.7305 -1.7276 -1.2019 -1.1941 -1.0064 -1.0016 -0.4081 -0.4068 -0.3027 -0.2984 -0.0333 -0.0288 0.0194 0.0260 8.9961 8.9966 10.0447 10.0451 10.4638 10.4657 11.3253 11.3293 11.8911 11.8935 k = 0.4250 0.2465-0.0086 ( 9492 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3189 -22.3189 -22.2653 -22.2653 -21.7964 -21.7963 -21.6693 -21.6693 -19.3891 -19.3890 -19.3562 -19.3562 -7.0344 -7.0320 -6.2342 -6.2281 -6.1633 -6.1411 -5.9923 -5.9794 -5.2754 -5.2657 -4.8420 -4.8320 -3.6615 -3.6559 -3.2251 -3.2223 -2.7142 -2.7067 -2.4638 -2.4528 -2.1278 -2.1153 -1.7268 -1.7234 -1.2103 -1.2015 -0.9974 -0.9922 -0.4069 -0.4053 -0.3051 -0.2999 -0.0382 -0.0331 0.0200 0.0275 8.9373 8.9378 10.0522 10.0526 10.4792 10.4813 11.3573 11.3621 11.8812 11.8841 k = 0.4125 0.2392-0.0083 ( 9490 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3259 -22.3259 -22.2651 -22.2651 -21.7933 -21.7933 -21.6650 -21.6649 -19.3894 -19.3894 -19.3555 -19.3554 -7.0333 -7.0306 -6.2332 -6.2262 -6.1648 -6.1388 -5.9994 -5.9840 -5.2813 -5.2702 -4.8566 -4.8452 -3.6659 -3.6596 -3.2126 -3.2095 -2.6962 -2.6878 -2.4833 -2.4727 -2.1058 -2.0932 -1.7222 -1.7183 -1.2192 -1.2095 -0.9874 -0.9820 -0.4060 -0.4041 -0.3075 -0.3015 -0.0440 -0.0384 0.0213 0.0295 8.8722 8.8727 10.0617 10.0622 10.4925 10.4948 11.3946 11.4002 11.8695 11.8731 k = 0.4000 0.2320-0.0081 ( 9496 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3335 -22.3335 -22.2650 -22.2650 -21.7901 -21.7900 -21.6599 -21.6599 -19.3898 -19.3898 -19.3545 -19.3545 -7.0321 -7.0290 -6.2322 -6.2241 -6.1665 -6.1364 -6.0073 -5.9893 -5.2876 -5.2753 -4.8726 -4.8600 -3.6709 -3.6641 -3.1991 -3.1956 -2.6761 -2.6667 -2.5014 -2.4914 -2.0845 -2.0720 -1.7166 -1.7122 -1.2285 -1.2181 -0.9768 -0.9713 -0.4057 -0.4034 -0.3098 -0.3030 -0.0505 -0.0446 0.0233 0.0320 8.8021 8.8027 10.0734 10.0739 10.5030 10.5055 11.4364 11.4428 11.8561 11.8603 k = 0.3875 0.2247-0.0078 ( 9498 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3417 -22.3417 -22.2651 -22.2651 -21.7868 -21.7868 -21.6541 -21.6541 -19.3902 -19.3902 -19.3535 -19.3535 -7.0307 -7.0273 -6.2310 -6.2218 -6.1683 -6.1340 -6.0159 -5.9952 -5.2943 -5.2808 -4.8899 -4.8761 -3.6765 -3.6692 -3.1846 -3.1808 -2.6547 -2.6443 -2.5171 -2.5079 -2.0643 -2.0520 -1.7098 -1.7050 -1.2380 -1.2269 -0.9657 -0.9600 -0.4061 -0.4035 -0.3118 -0.3043 -0.0575 -0.0514 0.0258 0.0350 8.7282 8.7288 10.0870 10.0876 10.5102 10.5128 11.4819 11.4891 11.8410 11.8459 k = 0.3750 0.2175-0.0075 ( 9495 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3503 -22.3503 -22.2653 -22.2653 -21.7835 -21.7835 -21.6477 -21.6477 -19.3907 -19.3907 -19.3524 -19.3524 -7.0291 -7.0255 -6.2298 -6.2195 -6.1702 -6.1316 -6.0251 -6.0016 -5.3012 -5.2867 -4.9081 -4.8934 -3.6827 -3.6750 -3.1695 -3.1653 -2.6343 -2.6227 -2.5281 -2.5202 -2.0455 -2.0334 -1.7019 -1.6968 -1.2477 -1.2359 -0.9542 -0.9485 -0.4076 -0.4047 -0.3136 -0.3055 -0.0647 -0.0583 0.0288 0.0383 8.6514 8.6520 10.1026 10.1032 10.5141 10.5168 11.5298 11.5379 11.8243 11.8300 k = 0.3625 0.2102-0.0073 ( 9504 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3592 -22.3592 -22.2656 -22.2656 -21.7804 -21.7804 -21.6406 -21.6406 -19.3913 -19.3912 -19.3512 -19.3512 -7.0275 -7.0235 -6.2285 -6.2172 -6.1724 -6.1295 -6.0348 -6.0083 -5.3081 -5.2928 -4.9272 -4.9116 -3.6894 -3.6815 -3.1538 -3.1492 -2.6196 -2.6068 -2.5298 -2.5234 -2.0284 -2.0164 -1.6929 -1.6874 -1.2573 -1.2449 -0.9424 -0.9367 -0.4100 -0.4069 -0.3152 -0.3067 -0.0716 -0.0650 0.0321 0.0419 8.5725 8.5731 10.1200 10.1207 10.5148 10.5175 11.5790 11.5881 11.8060 11.8129 k = 0.3500 0.2030-0.0070 ( 9506 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3685 -22.3685 -22.2660 -22.2660 -21.7774 -21.7774 -21.6330 -21.6330 -19.3918 -19.3918 -19.3499 -19.3499 -7.0257 -7.0214 -6.2273 -6.2150 -6.1748 -6.1276 -6.0447 -6.0153 -5.3151 -5.2991 -4.9469 -4.9305 -3.6966 -3.6886 -3.1377 -3.1328 -2.6159 -2.6031 -2.5173 -2.5111 -2.0129 -2.0012 -1.6828 -1.6770 -1.2669 -1.2538 -0.9305 -0.9248 -0.4136 -0.4103 -0.3171 -0.3083 -0.0777 -0.0709 0.0357 0.0457 8.4922 8.4928 10.1390 10.1398 10.5126 10.5153 11.6277 11.6383 11.7864 11.7952 k = 0.3375 0.1957-0.0068 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3779 -22.3779 -22.2665 -22.2665 -21.7745 -21.7745 -21.6248 -21.6248 -19.3924 -19.3924 -19.3485 -19.3485 -7.0237 -7.0192 -6.2262 -6.2129 -6.1776 -6.1262 -6.0546 -6.0224 -5.3221 -5.3053 -4.9670 -4.9501 -3.7042 -3.6962 -3.1213 -3.1160 -2.6214 -2.6094 -2.4925 -2.4857 -1.9993 -1.9877 -1.6717 -1.6657 -1.2762 -1.2625 -0.9186 -0.9128 -0.4182 -0.4148 -0.3197 -0.3107 -0.0827 -0.0755 0.0395 0.0498 8.4111 8.4117 10.1595 10.1603 10.5079 10.5106 11.6730 11.6865 11.7660 11.7787 k = 0.3250 0.1885-0.0065 ( 9512 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3875 -22.3875 -22.2671 -22.2671 -21.7718 -21.7718 -21.6162 -21.6162 -19.3931 -19.3930 -19.3471 -19.3471 -7.0217 -7.0170 -6.2253 -6.2112 -6.1804 -6.1258 -6.0639 -6.0294 -5.3288 -5.3116 -4.9874 -4.9700 -3.7122 -3.7043 -3.1047 -3.0991 -2.6310 -2.6200 -2.4608 -2.4533 -1.9874 -1.9760 -1.6600 -1.6538 -1.2852 -1.2709 -0.9066 -0.9009 -0.4237 -0.4202 -0.3235 -0.3143 -0.0860 -0.0784 0.0434 0.0540 8.3296 8.3302 10.1810 10.1819 10.5012 10.5038 11.7051 11.7239 11.7523 11.7725 k = 0.3125 0.1812-0.0063 ( 9514 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3971 -22.3971 -22.2678 -22.2678 -21.7693 -21.7693 -21.6073 -21.6072 -19.3938 -19.3937 -19.3456 -19.3456 -7.0196 -7.0147 -6.2248 -6.2104 -6.1833 -6.1266 -6.0719 -6.0361 -5.3354 -5.3178 -5.0078 -4.9902 -3.7206 -3.7128 -3.0879 -3.0820 -2.6418 -2.6316 -2.4255 -2.4173 -1.9772 -1.9657 -1.6478 -1.6414 -1.2937 -1.2788 -0.8948 -0.8891 -0.4300 -0.4263 -0.3289 -0.3197 -0.0872 -0.0792 0.0475 0.0583 8.2483 8.2489 10.2033 10.2042 10.4932 10.4957 11.7053 11.7133 11.7816 11.7945 k = 0.3000 0.1740-0.0060 ( 9523 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4068 -22.4068 -22.2685 -22.2685 -21.7670 -21.7670 -21.5980 -21.5980 -19.3945 -19.3944 -19.3440 -19.3440 -7.0175 -7.0123 -6.2248 -6.2109 -6.1855 -6.1294 -6.0780 -6.0423 -5.3417 -5.3238 -5.0282 -5.0105 -3.7292 -3.7217 -3.0710 -3.0648 -2.6526 -2.6433 -2.3880 -2.3792 -1.9685 -1.9569 -1.6356 -1.6289 -1.3014 -1.2860 -0.8831 -0.8774 -0.4368 -0.4331 -0.3362 -0.3270 -0.0861 -0.0776 0.0515 0.0627 8.1675 8.1681 10.2257 10.2267 10.4847 10.4871 11.6867 11.6895 11.8190 11.8296 k = 0.2875 0.1667-0.0058 ( 9522 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4164 -22.4164 -22.2692 -22.2692 -21.7648 -21.7648 -21.5885 -21.5885 -19.3952 -19.3951 -19.3424 -19.3424 -7.0152 -7.0100 -6.2256 -6.2134 -6.1866 -6.1341 -6.0817 -6.0480 -5.3477 -5.3297 -5.0485 -5.0307 -3.7380 -3.7308 -3.0540 -3.0477 -2.6630 -2.6544 -2.3493 -2.3399 -1.9610 -1.9491 -1.6236 -1.6167 -1.3083 -1.2924 -0.8717 -0.8659 -0.4442 -0.4403 -0.3455 -0.3363 -0.0827 -0.0737 0.0556 0.0671 8.0876 8.0882 10.2471 10.2482 10.4771 10.4792 11.6628 11.6639 11.8528 11.8632 k = 0.2750 0.1595-0.0055 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4259 -22.4259 -22.2700 -22.2700 -21.7628 -21.7628 -21.5790 -21.5790 -19.3959 -19.3959 -19.3408 -19.3408 -7.0130 -7.0076 -6.2274 -6.2182 -6.1864 -6.1403 -6.0831 -6.0530 -5.3534 -5.3354 -5.0683 -5.0507 -3.7469 -3.7400 -3.0370 -3.0305 -2.6727 -2.6647 -2.3102 -2.3000 -1.9546 -1.9421 -1.6124 -1.6052 -1.3141 -1.2977 -0.8606 -0.8548 -0.4519 -0.4478 -0.3567 -0.3475 -0.0771 -0.0676 0.0597 0.0716 8.0089 8.0095 10.2660 10.2671 10.4721 10.4740 11.6365 11.6377 11.8815 11.8919 k = 0.2625 0.1522-0.0053 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4352 -22.4352 -22.2709 -22.2709 -21.7609 -21.7609 -21.5693 -21.5693 -19.3967 -19.3966 -19.3392 -19.3391 -7.0107 -7.0052 -6.2308 -6.2246 -6.1854 -6.1469 -6.0831 -6.0573 -5.3588 -5.3409 -5.0877 -5.0703 -3.7559 -3.7494 -3.0200 -3.0134 -2.6815 -2.6742 -2.2712 -2.2600 -1.9489 -1.9355 -1.6023 -1.5948 -1.3185 -1.3018 -0.8498 -0.8439 -0.4598 -0.4555 -0.3696 -0.3603 -0.0695 -0.0594 0.0638 0.0760 7.9317 7.9322 10.2802 10.2813 10.4722 10.4737 11.6091 11.6108 11.9045 11.9149 k = 0.2500 0.1450-0.0050 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4444 -22.4444 -22.2717 -22.2717 -21.7592 -21.7592 -21.5598 -21.5597 -19.3974 -19.3974 -19.3375 -19.3375 -7.0084 -7.0029 -6.2362 -6.2321 -6.1838 -6.1528 -6.0821 -6.0608 -5.3639 -5.3462 -5.1065 -5.0895 -3.7648 -3.7587 -3.0031 -2.9965 -2.6894 -2.6827 -2.2331 -2.2207 -1.9434 -1.9288 -1.5937 -1.5858 -1.3214 -1.3045 -0.8394 -0.8334 -0.4679 -0.4634 -0.3840 -0.3745 -0.0604 -0.0496 0.0679 0.0805 7.8562 7.8568 10.2874 10.2885 10.4799 10.4810 11.5812 11.5832 11.9216 11.9318 k = 0.2375 0.1377-0.0048 ( 9534 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4534 -22.4534 -22.2726 -22.2726 -21.7576 -21.7575 -21.5502 -21.5502 -19.3982 -19.3982 -19.3358 -19.3358 -7.0061 -7.0005 -6.2440 -6.2401 -6.1820 -6.1576 -6.0805 -6.0637 -5.3688 -5.3514 -5.1245 -5.1080 -3.7737 -3.7680 -2.9864 -2.9798 -2.6964 -2.6902 -2.1966 -2.1828 -1.9377 -1.9215 -1.5868 -1.5786 -1.3227 -1.3057 -0.8295 -0.8233 -0.4761 -0.4713 -0.3994 -0.3897 -0.0499 -0.0385 0.0718 0.0850 7.7828 7.7833 10.2867 10.2878 10.4962 10.4969 11.5530 11.5552 11.9328 11.9427 k = 0.2250 0.1305-0.0045 ( 9532 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4620 -22.4620 -22.2734 -22.2734 -21.7561 -21.7560 -21.5409 -21.5409 -19.3990 -19.3989 -19.3342 -19.3341 -7.0038 -6.9983 -6.2535 -6.2489 -6.1802 -6.1609 -6.0786 -6.0658 -5.3735 -5.3565 -5.1417 -5.1258 -3.7824 -3.7771 -2.9700 -2.9635 -2.7023 -2.6967 -2.1626 -2.1472 -1.9309 -1.9129 -1.5819 -1.5733 -1.3221 -1.3054 -0.8200 -0.8137 -0.4842 -0.4793 -0.4156 -0.4055 -0.0385 -0.0264 0.0758 0.0894 7.7116 7.7121 10.2790 10.2802 10.5203 10.5208 11.5249 11.5273 11.9384 11.9478 k = 0.2125 0.1232-0.0043 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4704 -22.4704 -22.2743 -22.2743 -21.7547 -21.7546 -21.5317 -21.5317 -19.3997 -19.3997 -19.3325 -19.3325 -7.0016 -6.9961 -6.2638 -6.2587 -6.1784 -6.1628 -6.0766 -6.0674 -5.3780 -5.3616 -5.1579 -5.1428 -3.7909 -3.7860 -2.9541 -2.9476 -2.7071 -2.7020 -2.1320 -2.1151 -1.9221 -1.9023 -1.5788 -1.5700 -1.3199 -1.3035 -0.8110 -0.8045 -0.4923 -0.4871 -0.4321 -0.4217 -0.0265 -0.0136 0.0797 0.0939 7.6428 7.6433 10.2665 10.2677 10.5503 10.5508 11.4970 11.4994 11.9388 11.9476 k = 0.2000 0.1160-0.0040 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4785 -22.4785 -22.2751 -22.2751 -21.7534 -21.7534 -21.5229 -21.5229 -19.4005 -19.4004 -19.3309 -19.3309 -6.9994 -6.9939 -6.2745 -6.2693 -6.1767 -6.1636 -6.0745 -6.0686 -5.3824 -5.3666 -5.1730 -5.1588 -3.7991 -3.7946 -2.9387 -2.9323 -2.7108 -2.7062 -2.1059 -2.0877 -1.9101 -1.8887 -1.5777 -1.5684 -1.3161 -1.3003 -0.8026 -0.7958 -0.5004 -0.4950 -0.4487 -0.4379 -0.0141 -0.0005 0.0835 0.0985 7.5767 7.5772 10.2509 10.2520 10.5847 10.5854 11.4695 11.4720 11.9343 11.9425 k = 0.1875 0.1087-0.0038 ( 9541 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4861 -22.4861 -22.2760 -22.2760 -21.7522 -21.7521 -21.5143 -21.5143 -19.4012 -19.4012 -19.3294 -19.3293 -6.9972 -6.9919 -6.2854 -6.2805 -6.1751 -6.1636 -6.0725 -6.0692 -5.3867 -5.3718 -5.1870 -5.1738 -3.8070 -3.8029 -2.9241 -2.9178 -2.7132 -2.7091 -2.0849 -2.0664 -1.8940 -1.8717 -1.5781 -1.5684 -1.3111 -1.2959 -0.7947 -0.7876 -0.5084 -0.5030 -0.4650 -0.4539 -0.0017 0.0127 0.0874 0.1031 7.5136 7.5140 10.2334 10.2345 10.6225 10.6233 11.4428 11.4453 11.9251 11.9327 k = 0.1750 0.1015-0.0035 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4934 -22.4934 -22.2768 -22.2768 -21.7510 -21.7510 -21.5061 -21.5061 -19.4019 -19.4019 -19.3278 -19.3278 -6.9951 -6.9900 -6.2963 -6.2918 -6.1736 -6.1631 -6.0707 -6.0696 -5.3911 -5.3770 -5.1997 -5.1876 -3.8145 -3.8108 -2.9103 -2.9043 -2.7143 -2.7107 -2.0692 -2.0513 -1.8738 -1.8514 -1.5800 -1.5696 -1.3051 -1.2907 -0.7873 -0.7800 -0.5165 -0.5114 -0.4803 -0.4692 0.0104 0.0257 0.0914 0.1077 7.4534 7.4539 10.2150 10.2161 10.6629 10.6638 11.4168 11.4194 11.9116 11.9186 k = 0.1625 0.0942-0.0033 ( 9541 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5003 -22.5003 -22.2776 -22.2776 -21.7500 -21.7500 -21.4983 -21.4983 -19.4026 -19.4026 -19.3264 -19.3264 -6.9931 -6.9881 -6.3070 -6.3029 -6.1722 -6.1623 -6.0697 -6.0689 -5.3954 -5.3822 -5.2111 -5.2002 -3.8216 -3.8183 -2.8978 -2.8920 -2.7141 -2.7109 -2.0584 -2.0418 -1.8502 -1.8285 -1.5828 -1.5717 -1.2986 -1.2850 -0.7805 -0.7729 -0.5248 -0.5206 -0.4941 -0.4835 0.0221 0.0382 0.0955 0.1125 7.3966 7.3970 10.1963 10.1973 10.7053 10.7063 11.3920 11.3946 11.8940 11.9004 k = 0.1500 0.0870-0.0030 ( 9546 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5068 -22.5068 -22.2783 -22.2783 -21.7491 -21.7490 -21.4909 -21.4909 -19.4032 -19.4032 -19.3250 -19.3250 -6.9912 -6.9864 -6.3174 -6.3138 -6.1708 -6.1613 -6.0695 -6.0673 -5.3999 -5.3876 -5.2212 -5.2115 -3.8283 -3.8253 -2.8864 -2.8810 -2.7125 -2.7097 -2.0516 -2.0366 -1.8249 -1.8039 -1.5862 -1.5741 -1.2917 -1.2789 -0.7743 -0.7664 -0.5338 -0.5313 -0.5054 -0.4963 0.0332 0.0499 0.1000 0.1175 7.3432 7.3436 10.1777 10.1787 10.7495 10.7506 11.3685 11.3710 11.8725 11.8783 k = 0.1375 0.0797-0.0028 ( 9543 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5128 -22.5128 -22.2790 -22.2790 -21.7482 -21.7482 -21.4840 -21.4840 -19.4039 -19.4038 -19.3237 -19.3237 -6.9894 -6.9849 -6.3273 -6.3242 -6.1695 -6.1603 -6.0691 -6.0659 -5.4043 -5.3931 -5.2301 -5.2216 -3.8345 -3.8318 -2.8766 -2.8715 -2.7095 -2.7070 -2.0478 -2.0345 -1.7993 -1.7790 -1.5897 -1.5766 -1.2849 -1.2729 -0.7685 -0.7604 -0.5441 -0.5426 -0.5141 -0.5072 0.0434 0.0603 0.1050 0.1226 7.2934 7.2937 10.1596 10.1605 10.7951 10.7963 11.3464 11.3490 11.8473 11.8525 k = 0.1250 0.0725-0.0025 ( 9538 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5183 -22.5183 -22.2797 -22.2797 -21.7474 -21.7474 -21.4776 -21.4776 -19.4044 -19.4044 -19.3224 -19.3224 -6.9876 -6.9834 -6.3367 -6.3340 -6.1681 -6.1594 -6.0687 -6.0647 -5.4087 -5.3986 -5.2377 -5.2303 -3.8402 -3.8379 -2.8681 -2.8635 -2.7052 -2.7030 -2.0463 -2.0346 -1.7747 -1.7549 -1.5928 -1.5785 -1.2782 -1.2671 -0.7633 -0.7549 -0.5566 -0.5533 -0.5210 -0.5161 0.0526 0.0692 0.1107 0.1279 7.2473 7.2477 10.1423 10.1431 10.8419 10.8431 11.3260 11.3287 11.8184 11.8233 k = 0.1125 0.0652-0.0023 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5234 -22.5234 -22.2803 -22.2803 -21.7467 -21.7467 -21.4717 -21.4717 -19.4050 -19.4050 -19.3213 -19.3213 -6.9860 -6.9821 -6.3455 -6.3430 -6.1668 -6.1586 -6.0681 -6.0636 -5.4131 -5.4040 -5.2442 -5.2379 -3.8454 -3.8433 -2.8612 -2.8569 -2.6998 -2.6979 -2.0464 -2.0362 -1.7521 -1.7326 -1.5950 -1.5795 -1.2720 -1.2617 -0.7585 -0.7499 -0.5692 -0.5641 -0.5265 -0.5231 0.0608 0.0763 0.1172 0.1333 7.2052 7.2055 10.1261 10.1268 10.8894 10.8908 11.3076 11.3104 11.7863 11.7908 k = 0.1000 0.0580-0.0020 ( 9541 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5280 -22.5280 -22.2809 -22.2809 -21.7460 -21.7460 -21.4664 -21.4664 -19.4055 -19.4055 -19.3203 -19.3203 -6.9845 -6.9810 -6.3536 -6.3514 -6.1655 -6.1578 -6.0674 -6.0628 -5.4173 -5.4092 -5.2496 -5.2443 -3.8501 -3.8483 -2.8555 -2.8518 -2.6936 -2.6920 -2.0476 -2.0387 -1.7324 -1.7133 -1.5955 -1.5791 -1.2662 -1.2568 -0.7542 -0.7455 -0.5812 -0.5749 -0.5311 -0.5286 0.0678 0.0818 0.1242 0.1387 7.1671 7.1674 10.1110 10.1117 10.9375 10.9389 11.2914 11.2944 11.7510 11.7552 k = 0.0875 0.0507-0.0018 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5320 -22.5320 -22.2814 -22.2814 -21.7455 -21.7455 -21.4616 -21.4616 -19.4059 -19.4059 -19.3193 -19.3193 -6.9832 -6.9800 -6.3608 -6.3588 -6.1643 -6.1573 -6.0667 -6.0622 -5.4213 -5.4142 -5.2541 -5.2496 -3.8542 -3.8527 -2.8511 -2.8478 -2.6870 -2.6856 -2.0494 -2.0419 -1.7160 -1.6978 -1.5937 -1.5771 -1.2611 -1.2526 -0.7502 -0.7417 -0.5924 -0.5854 -0.5350 -0.5330 0.0738 0.0860 0.1314 0.1439 7.1332 7.1334 10.0974 10.0980 10.9854 10.9870 11.2779 11.2812 11.7129 11.7169 k = 0.0750 0.0435-0.0015 ( 9547 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5355 -22.5355 -22.2818 -22.2818 -21.7450 -21.7450 -21.4575 -21.4575 -19.4063 -19.4063 -19.3185 -19.3185 -6.9819 -6.9792 -6.3672 -6.3654 -6.1631 -6.1569 -6.0660 -6.0617 -5.4250 -5.4188 -5.2577 -5.2540 -3.8578 -3.8565 -2.8477 -2.8449 -2.6803 -2.6790 -2.0517 -2.0453 -1.7033 -1.6868 -1.5892 -1.5735 -1.2565 -1.2491 -0.7466 -0.7384 -0.6023 -0.5951 -0.5381 -0.5366 0.0789 0.0890 0.1384 0.1488 7.1036 7.1038 10.0853 10.0859 11.0323 11.0341 11.2678 11.2715 11.6723 11.6761 k = 0.0625 0.0362-0.0013 ( 9543 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5385 -22.5385 -22.2822 -22.2822 -21.7446 -21.7445 -21.4539 -21.4539 -19.4066 -19.4066 -19.3178 -19.3178 -6.9809 -6.9785 -6.3726 -6.3711 -6.1620 -6.1566 -6.0653 -6.0614 -5.4281 -5.4230 -5.2605 -5.2575 -3.8608 -3.8597 -2.8450 -2.8427 -2.6739 -2.6728 -2.0540 -2.0487 -1.6941 -1.6800 -1.5825 -1.5687 -1.2526 -1.2462 -0.7433 -0.7356 -0.6109 -0.6039 -0.5407 -0.5394 0.0830 0.0912 0.1448 0.1533 7.0783 7.0785 10.0749 10.0754 11.0766 11.0787 11.2625 11.2668 11.6295 11.6332 k = 0.0500 0.0290-0.0010 ( 9542 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5410 -22.5410 -22.2825 -22.2825 -21.7442 -21.7442 -21.4510 -21.4510 -19.4069 -19.4069 -19.3172 -19.3172 -6.9799 -6.9780 -6.3771 -6.3759 -6.1610 -6.1565 -6.0646 -6.0613 -5.4308 -5.4267 -5.2626 -5.2603 -3.8632 -3.8624 -2.8431 -2.8412 -2.6681 -2.6672 -2.0561 -2.0519 -1.6877 -1.6765 -1.5746 -1.5633 -1.2494 -1.2441 -0.7403 -0.7335 -0.6180 -0.6116 -0.5426 -0.5416 0.0864 0.0927 0.1505 0.1570 7.0575 7.0577 10.0663 10.0666 11.1152 11.1177 11.2650 11.2700 11.5849 11.5885 k = 0.0375 0.0217-0.0008 ( 9548 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5429 -22.5429 -22.2828 -22.2828 -21.7439 -21.7439 -21.4487 -21.4487 -19.4071 -19.4071 -19.3168 -19.3168 -6.9791 -6.9777 -6.3806 -6.3796 -6.1600 -6.1566 -6.0639 -6.0613 -5.4328 -5.4297 -5.2641 -5.2625 -3.8651 -3.8645 -2.8416 -2.8403 -2.6633 -2.6626 -2.0579 -2.0548 -1.6834 -1.6752 -1.5669 -1.5584 -1.2467 -1.2427 -0.7376 -0.7321 -0.6234 -0.6181 -0.5441 -0.5433 0.0890 0.0937 0.1551 0.1599 7.0413 7.0414 10.0595 10.0597 11.1439 11.1464 11.2796 11.2849 11.5391 11.5426 k = 0.0250 0.0145-0.0005 ( 9544 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5443 -22.5443 -22.2830 -22.2830 -21.7438 -21.7438 -21.4471 -21.4471 -19.4073 -19.4073 -19.3164 -19.3164 -6.9785 -6.9775 -6.3830 -6.3824 -6.1591 -6.1568 -6.0633 -6.0615 -5.4342 -5.4321 -5.2651 -5.2640 -3.8665 -3.8660 -2.8406 -2.8397 -2.6596 -2.6591 -2.0592 -2.0571 -1.6805 -1.6751 -1.5603 -1.5547 -1.2446 -1.2419 -0.7353 -0.7314 -0.6270 -0.6232 -0.5450 -0.5445 0.0911 0.0941 0.1588 0.1619 7.0297 7.0297 10.0546 10.0548 11.1604 11.1623 11.3081 11.3130 11.4926 11.4962 k = 0.0125 0.0072-0.0003 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5451 -22.5451 -22.2831 -22.2831 -21.7436 -21.7436 -21.4461 -21.4461 -19.4074 -19.4074 -19.3162 -19.3162 -6.9780 -6.9775 -6.3844 -6.3841 -6.1584 -6.1572 -6.0627 -6.0618 -5.4348 -5.4337 -5.2656 -5.2650 -3.8672 -3.8670 -2.8399 -2.8395 -2.6573 -2.6570 -2.0597 -2.0587 -1.6784 -1.6758 -1.5555 -1.5528 -1.2431 -1.2417 -0.7334 -0.7314 -0.6288 -0.6268 -0.5456 -0.5453 0.0926 0.0941 0.1613 0.1628 7.0227 7.0227 10.0517 10.0518 11.1679 11.1689 11.3455 11.3496 11.4475 11.4509 k = 0.0000 0.0000 0.0000 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2831 -22.2831 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9777 -6.9777 -6.3848 -6.3848 -6.1577 -6.1577 -6.0622 -6.0622 -5.4346 -5.4346 -5.2655 -5.2655 -3.8674 -3.8674 -2.8395 -2.8395 -2.6564 -2.6564 -2.0596 -2.0596 -1.6769 -1.6769 -1.5530 -1.5530 -1.2422 -1.2422 -0.7321 -0.7321 -0.6287 -0.6287 -0.5456 -0.5456 0.0936 0.0936 0.1626 0.1626 7.0204 7.0204 10.0507 10.0507 11.1703 11.1703 11.3752 11.3752 11.4193 11.4193 k = 0.0000 0.0000 0.0000 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2831 -22.2831 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9777 -6.9777 -6.3848 -6.3848 -6.1577 -6.1577 -6.0622 -6.0622 -5.4346 -5.4346 -5.2655 -5.2655 -3.8674 -3.8674 -2.8395 -2.8395 -2.6564 -2.6564 -2.0596 -2.0596 -1.6769 -1.6769 -1.5530 -1.5530 -1.2422 -1.2422 -0.7321 -0.7321 -0.6287 -0.6287 -0.5456 -0.5456 0.0936 0.0936 0.1626 0.1626 7.0204 7.0204 10.0507 10.0507 11.1703 11.1703 11.3752 11.3752 11.4193 11.4193 k = 0.0000 0.0000 0.0145 ( 9546 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2832 -22.2832 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9778 -6.9775 -6.3849 -6.3847 -6.1582 -6.1571 -6.0630 -6.0613 -5.4352 -5.4342 -5.2658 -5.2655 -3.8676 -3.8674 -2.8396 -2.8396 -2.6564 -2.6564 -2.0594 -2.0591 -1.6770 -1.6764 -1.5533 -1.5528 -1.2422 -1.2421 -0.7331 -0.7320 -0.6287 -0.6274 -0.5466 -0.5441 0.0908 0.0951 0.1599 0.1644 7.0229 7.0230 10.0490 10.0491 11.1694 11.1703 11.3729 11.3740 11.4188 11.4201 k = 0.0000 0.0000 0.0290 ( 9547 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5452 -22.5452 -22.2834 -22.2834 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9780 -6.9772 -6.3850 -6.3847 -6.1586 -6.1565 -6.0636 -6.0602 -5.4359 -5.4340 -5.2663 -5.2656 -3.8679 -3.8675 -2.8397 -2.8397 -2.6566 -2.6565 -2.0585 -2.0579 -1.6767 -1.6755 -1.5537 -1.5527 -1.2423 -1.2420 -0.7348 -0.7327 -0.6277 -0.6249 -0.5469 -0.5418 0.0867 0.0953 0.1562 0.1651 7.0306 7.0307 10.0437 10.0440 11.1676 11.1694 11.3672 11.3693 11.4190 11.4212 k = 0.0000 0.0000 0.0435 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5448 -22.5448 -22.2838 -22.2838 -21.7436 -21.7436 -21.4458 -21.4458 -19.4073 -19.4073 -19.3162 -19.3162 -6.9780 -6.9769 -6.3851 -6.3847 -6.1588 -6.1557 -6.0640 -6.0589 -5.4368 -5.4339 -5.2669 -5.2659 -3.8684 -3.8679 -2.8400 -2.8399 -2.6568 -2.6566 -2.0569 -2.0560 -1.6761 -1.6742 -1.5542 -1.5527 -1.2423 -1.2419 -0.7373 -0.7345 -0.6258 -0.6211 -0.5465 -0.5386 0.0814 0.0941 0.1516 0.1648 7.0434 7.0436 10.0349 10.0353 11.1645 11.1673 11.3588 11.3616 11.4199 11.4228 k = 0.0000 0.0000 0.0580 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5444 -22.5444 -22.2843 -22.2843 -21.7436 -21.7436 -21.4458 -21.4458 -19.4072 -19.4072 -19.3163 -19.3163 -6.9781 -6.9766 -6.3853 -6.3848 -6.1590 -6.1549 -6.0643 -6.0575 -5.4377 -5.4340 -5.2678 -5.2664 -3.8691 -3.8684 -2.8403 -2.8402 -2.6571 -2.6569 -2.0547 -2.0534 -1.6750 -1.6726 -1.5548 -1.5527 -1.2423 -1.2417 -0.7407 -0.7374 -0.6231 -0.6161 -0.5453 -0.5342 0.0750 0.0915 0.1463 0.1634 7.0613 7.0615 10.0221 10.0226 11.1597 11.1638 11.3486 11.3522 11.4216 11.4249 k = 0.0000 0.0000 0.0725 ( 9535 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5438 -22.5438 -22.2850 -22.2850 -21.7436 -21.7436 -21.4458 -21.4458 -19.4071 -19.4071 -19.3163 -19.3163 -6.9781 -6.9763 -6.3856 -6.3849 -6.1590 -6.1541 -6.0643 -6.0560 -5.4388 -5.4343 -5.2688 -5.2671 -3.8699 -3.8690 -2.8407 -2.8405 -2.6574 -2.6572 -2.0518 -2.0502 -1.6736 -1.6705 -1.5553 -1.5528 -1.2422 -1.2416 -0.7451 -0.7417 -0.6199 -0.6100 -0.5429 -0.5285 0.0674 0.0874 0.1402 0.1610 7.0842 7.0845 10.0050 10.0056 11.1529 11.1583 11.3380 11.3426 11.4240 11.4275 k = 0.0000 0.0000 0.0870 ( 9535 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5431 -22.5431 -22.2858 -22.2858 -21.7435 -21.7435 -21.4458 -21.4458 -19.4070 -19.4069 -19.3164 -19.3164 -6.9780 -6.9759 -6.3858 -6.3850 -6.1590 -6.1532 -6.0641 -6.0545 -5.4400 -5.4347 -5.2699 -5.2680 -3.8708 -3.8698 -2.8412 -2.8410 -2.6578 -2.6575 -2.0483 -2.0465 -1.6717 -1.6681 -1.5559 -1.5529 -1.2421 -1.2414 -0.7506 -0.7473 -0.6161 -0.6029 -0.5391 -0.5211 0.0588 0.0819 0.1333 0.1574 7.1121 7.1124 9.9830 9.9838 11.1438 11.1505 11.3283 11.3340 11.4270 11.4307 k = 0.0000 0.0000 0.1015 ( 9538 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5423 -22.5423 -22.2867 -22.2867 -21.7435 -21.7435 -21.4458 -21.4458 -19.4068 -19.4068 -19.3164 -19.3164 -6.9779 -6.9755 -6.3861 -6.3852 -6.1588 -6.1522 -6.0638 -6.0529 -5.4413 -5.4352 -5.2712 -5.2691 -3.8719 -3.8707 -2.8417 -2.8415 -2.6582 -2.6579 -2.0444 -2.0423 -1.6695 -1.6654 -1.5564 -1.5530 -1.2420 -1.2412 -0.7574 -0.7544 -0.6117 -0.5950 -0.5337 -0.5121 0.0492 0.0750 0.1258 0.1528 7.1448 7.1452 9.9558 9.9567 11.1326 11.1405 11.3208 11.3275 11.4305 11.4344 k = 0.0000 0.0000 0.1160 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5414 -22.5414 -22.2877 -22.2877 -21.7435 -21.7435 -21.4458 -21.4458 -19.4066 -19.4066 -19.3165 -19.3165 -6.9777 -6.9751 -6.3863 -6.3854 -6.1585 -6.1513 -6.0633 -6.0512 -5.4426 -5.4359 -5.2726 -5.2703 -3.8730 -3.8717 -2.8423 -2.8420 -2.6587 -2.6584 -2.0400 -2.0376 -1.6668 -1.6623 -1.5568 -1.5530 -1.2419 -1.2410 -0.7657 -0.7630 -0.6064 -0.5864 -0.5265 -0.5016 0.0386 0.0666 0.1177 0.1471 7.1823 7.1828 9.9228 9.9238 11.1199 11.1288 11.3159 11.3237 11.4344 11.4386 k = 0.0000 0.0000 0.1305 ( 9541 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5404 -22.5404 -22.2888 -22.2888 -21.7435 -21.7435 -21.4458 -21.4458 -19.4064 -19.4064 -19.3166 -19.3166 -6.9775 -6.9747 -6.3866 -6.3856 -6.1581 -6.1503 -6.0625 -6.0495 -5.4440 -5.4367 -5.2741 -5.2717 -3.8743 -3.8729 -2.8429 -2.8427 -2.6593 -2.6589 -2.0352 -2.0327 -1.6638 -1.6588 -1.5571 -1.5527 -1.2418 -1.2408 -0.7756 -0.7733 -0.6002 -0.5772 -0.5174 -0.4895 0.0271 0.0569 0.1089 0.1403 7.2245 7.2250 9.8836 9.8847 11.1069 11.1165 11.3137 11.3223 11.4387 11.4430 k = 0.0000 0.0000 0.1450 ( 9531 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5394 -22.5394 -22.2901 -22.2901 -21.7434 -21.7434 -21.4458 -21.4458 -19.4062 -19.4062 -19.3167 -19.3166 -6.9773 -6.9743 -6.3870 -6.3859 -6.1576 -6.1494 -6.0617 -6.0478 -5.4454 -5.4377 -5.2757 -5.2732 -3.8756 -3.8741 -2.8436 -2.8433 -2.6598 -2.6594 -2.0302 -2.0275 -1.6604 -1.6552 -1.5570 -1.5523 -1.2416 -1.2405 -0.7870 -0.7850 -0.5928 -0.5672 -0.5066 -0.4762 0.0148 0.0460 0.0994 0.1324 7.2712 7.2718 9.8381 9.8392 11.0947 11.1048 11.3139 11.3231 11.4432 11.4477 k = 0.0000 0.0000 0.1594 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5383 -22.5383 -22.2913 -22.2913 -21.7434 -21.7434 -21.4458 -21.4458 -19.4060 -19.4060 -19.3167 -19.3167 -6.9770 -6.9739 -6.3873 -6.3862 -6.1571 -6.1485 -6.0606 -6.0462 -5.4468 -5.4387 -5.2773 -5.2748 -3.8769 -3.8754 -2.8443 -2.8440 -2.6604 -2.6600 -2.0249 -2.0221 -1.6568 -1.6513 -1.5566 -1.5515 -1.2414 -1.2403 -0.7998 -0.7981 -0.5843 -0.5565 -0.4942 -0.4617 0.0018 0.0340 0.0893 0.1236 7.3223 7.3229 9.7860 9.7872 11.0843 11.0948 11.3157 11.3255 11.4478 11.4525 k = 0.0000 0.0000 0.1739 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5371 -22.5371 -22.2927 -22.2927 -21.7434 -21.7434 -21.4458 -21.4458 -19.4058 -19.4058 -19.3168 -19.3168 -6.9767 -6.9735 -6.3876 -6.3864 -6.1564 -6.1476 -6.0594 -6.0446 -5.4482 -5.4398 -5.2790 -5.2765 -3.8783 -3.8767 -2.8451 -2.8448 -2.6610 -2.6606 -2.0196 -2.0166 -1.6529 -1.6473 -1.5556 -1.5502 -1.2411 -1.2400 -0.8140 -0.8125 -0.5745 -0.5449 -0.4806 -0.4462 -0.0119 0.0210 0.0785 0.1138 7.3776 7.3783 9.7275 9.7288 11.0765 11.0873 11.3188 11.3290 11.4525 11.4573 k = 0.0000 0.0000 0.1884 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5359 -22.5359 -22.2940 -22.2940 -21.7434 -21.7434 -21.4458 -21.4458 -19.4055 -19.4055 -19.3169 -19.3169 -6.9764 -6.9732 -6.3879 -6.3867 -6.1557 -6.1468 -6.0581 -6.0431 -5.4495 -5.4410 -5.2807 -5.2782 -3.8797 -3.8781 -2.8458 -2.8455 -2.6616 -2.6612 -2.0142 -2.0112 -1.6490 -1.6433 -1.5541 -1.5484 -1.2409 -1.2397 -0.8293 -0.8278 -0.5636 -0.5324 -0.4661 -0.4300 -0.0261 0.0072 0.0670 0.1030 7.4371 7.4378 9.6628 9.6642 11.0719 11.0828 11.3225 11.3332 11.4572 11.4622 k = 0.0000 0.0000 0.2029 ( 9531 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5347 -22.5347 -22.2954 -22.2954 -21.7433 -21.7433 -21.4458 -21.4458 -19.4053 -19.4053 -19.3170 -19.3170 -6.9760 -6.9728 -6.3882 -6.3871 -6.1549 -6.1460 -6.0566 -6.0417 -5.4507 -5.4422 -5.2824 -5.2800 -3.8811 -3.8795 -2.8465 -2.8462 -2.6622 -2.6618 -2.0089 -2.0059 -1.6451 -1.6395 -1.5518 -1.5459 -1.2406 -1.2394 -0.8455 -0.8440 -0.5515 -0.5190 -0.4507 -0.4133 -0.0407 -0.0072 0.0549 0.0913 7.5004 7.5012 9.5925 9.5939 11.0706 11.0817 11.3264 11.3375 11.4619 11.4668 k = 0.0000 0.0000 0.2174 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5335 -22.5335 -22.2968 -22.2968 -21.7433 -21.7433 -21.4458 -21.4458 -19.4051 -19.4051 -19.3171 -19.3171 -6.9756 -6.9725 -6.3885 -6.3874 -6.1540 -6.1453 -6.0551 -6.0404 -5.4519 -5.4435 -5.2841 -5.2818 -3.8824 -3.8809 -2.8473 -2.8470 -2.6628 -2.6624 -2.0037 -2.0008 -1.6413 -1.6359 -1.5488 -1.5427 -1.2403 -1.2391 -0.8622 -0.8607 -0.5384 -0.5048 -0.4350 -0.3962 -0.0556 -0.0222 0.0421 0.0787 7.5675 7.5683 9.5169 9.5184 11.0726 11.0838 11.3301 11.3416 11.4664 11.4714 k = 0.0000 0.0000 0.2319 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5324 -22.5324 -22.2981 -22.2981 -21.7433 -21.7433 -21.4458 -21.4458 -19.4049 -19.4048 -19.3172 -19.3172 -6.9752 -6.9722 -6.3887 -6.3877 -6.1531 -6.1447 -6.0535 -6.0392 -5.4529 -5.4448 -5.2857 -5.2836 -3.8837 -3.8822 -2.8480 -2.8477 -2.6633 -2.6630 -1.9988 -1.9959 -1.6378 -1.6327 -1.5448 -1.5388 -1.2400 -1.2389 -0.8792 -0.8777 -0.5243 -0.4897 -0.4191 -0.3790 -0.0704 -0.0374 0.0286 0.0654 7.6381 7.6390 9.4369 9.4383 11.0777 11.0890 11.3332 11.3451 11.4708 11.4756 k = 0.0000 0.0000 0.2464 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5312 -22.5312 -22.2994 -22.2994 -21.7432 -21.7432 -21.4458 -21.4458 -19.4046 -19.4046 -19.3173 -19.3173 -6.9748 -6.9720 -6.3890 -6.3880 -6.1522 -6.1442 -6.0518 -6.0383 -5.4538 -5.4461 -5.2873 -5.2853 -3.8849 -3.8835 -2.8487 -2.8484 -2.6639 -2.6635 -1.9942 -1.9914 -1.6347 -1.6300 -1.5400 -1.5341 -1.2397 -1.2386 -0.8963 -0.8947 -0.5095 -0.4740 -0.4034 -0.3621 -0.0850 -0.0526 0.0147 0.0513 7.7120 7.7130 9.3529 9.3543 11.0856 11.0969 11.3355 11.3476 11.4750 11.4796 k = 0.0000 0.0000 0.2609 ( 9509 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5302 -22.5301 -22.3006 -22.3006 -21.7432 -21.7432 -21.4458 -21.4458 -19.4044 -19.4044 -19.3173 -19.3173 -6.9744 -6.9718 -6.3892 -6.3883 -6.1513 -6.1438 -6.0502 -6.0375 -5.4546 -5.4473 -5.2887 -5.2869 -3.8860 -3.8847 -2.8493 -2.8490 -2.6644 -2.6641 -1.9899 -1.9873 -1.6320 -1.6278 -1.5345 -1.5288 -1.2393 -1.2383 -0.9130 -0.9114 -0.4940 -0.4577 -0.3884 -0.3458 -0.0991 -0.0674 0.0002 0.0366 7.7891 7.7901 9.2656 9.2671 11.0957 11.1071 11.3367 11.3490 11.4790 11.4833 k = 0.0000 0.0000 0.2754 ( 9515 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5291 -22.5291 -22.3017 -22.3017 -21.7432 -21.7432 -21.4458 -21.4458 -19.4043 -19.4043 -19.3174 -19.3174 -6.9740 -6.9716 -6.3894 -6.3886 -6.1503 -6.1435 -6.0485 -6.0369 -5.4552 -5.4486 -5.2900 -5.2884 -3.8870 -3.8858 -2.8499 -2.8497 -2.6648 -2.6645 -1.9859 -1.9836 -1.6298 -1.6261 -1.5284 -1.5231 -1.2390 -1.2380 -0.9290 -0.9274 -0.4780 -0.4409 -0.3744 -0.3307 -0.1120 -0.0813 -0.0146 0.0214 7.8689 7.8700 9.1758 9.1773 11.1078 11.1190 11.3366 11.3490 11.4827 11.4867 k = 0.0000 0.0000 0.2899 ( 9514 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5282 -22.5282 -22.3028 -22.3028 -21.7432 -21.7432 -21.4458 -21.4458 -19.4041 -19.4041 -19.3175 -19.3175 -6.9736 -6.9715 -6.3896 -6.3888 -6.1494 -6.1434 -6.0468 -6.0365 -5.4557 -5.4498 -5.2912 -5.2898 -3.8879 -3.8869 -2.8504 -2.8502 -2.6652 -2.6650 -1.9825 -1.9804 -1.6279 -1.6248 -1.5220 -1.5172 -1.2387 -1.2378 -0.9439 -0.9424 -0.4617 -0.4240 -0.3621 -0.3174 -0.1233 -0.0937 -0.0296 0.0058 7.9513 7.9524 9.0841 9.0855 11.1211 11.1321 11.3352 11.3474 11.4862 11.4898 k = 0.0000 0.0000 0.3044 ( 9513 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5274 -22.5274 -22.3037 -22.3037 -21.7431 -21.7431 -21.4458 -21.4458 -19.4040 -19.4039 -19.3175 -19.3175 -6.9733 -6.9714 -6.3897 -6.3891 -6.1485 -6.1433 -6.0452 -6.0364 -5.4560 -5.4509 -5.2922 -5.2910 -3.8887 -3.8878 -2.8509 -2.8507 -2.6656 -2.6654 -1.9795 -1.9777 -1.6265 -1.6238 -1.5157 -1.5115 -1.2383 -1.2376 -0.9574 -0.9561 -0.4452 -0.4071 -0.3521 -0.3069 -0.1322 -0.1038 -0.0446 -0.0101 8.0359 8.0370 8.9911 8.9925 11.1351 11.1457 11.3327 11.3444 11.4894 11.4924 k = 0.0000 0.0000 0.3189 ( 9519 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5268 -22.5268 -22.3044 -22.3044 -21.7431 -21.7431 -21.4458 -21.4458 -19.4038 -19.4038 -19.3176 -19.3176 -6.9729 -6.9714 -6.3898 -6.3893 -6.1476 -6.1434 -6.0436 -6.0364 -5.4562 -5.4520 -5.2931 -5.2921 -3.8893 -3.8886 -2.8512 -2.8511 -2.6659 -2.6657 -1.9769 -1.9755 -1.6253 -1.6232 -1.5097 -1.5062 -1.2380 -1.2374 -0.9692 -0.9680 -0.4289 -0.3909 -0.3449 -0.3001 -0.1378 -0.1108 -0.0592 -0.0260 8.1221 8.1233 8.8976 8.8991 11.1491 11.1589 11.3292 11.3400 11.4922 11.4946 k = 0.0000 0.0000 0.3334 ( 9518 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5262 -22.5262 -22.3050 -22.3050 -21.7431 -21.7431 -21.4458 -21.4458 -19.4037 -19.4037 -19.3176 -19.3176 -6.9726 -6.9715 -6.3898 -6.3895 -6.1468 -6.1436 -6.0422 -6.0367 -5.4561 -5.4529 -5.2937 -5.2930 -3.8898 -3.8892 -2.8515 -2.8514 -2.6661 -2.6660 -1.9749 -1.9738 -1.6244 -1.6229 -1.5045 -1.5018 -1.2378 -1.2372 -0.9787 -0.9778 -0.4130 -0.3766 -0.3403 -0.2978 -0.1397 -0.1141 -0.0727 -0.0417 8.2091 8.2103 8.8048 8.8062 11.1622 11.1706 11.3255 11.3348 11.4945 11.4964 k = 0.0000 0.0000 0.3479 ( 9522 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5258 -22.5258 -22.3055 -22.3055 -21.7431 -21.7431 -21.4458 -21.4458 -19.4037 -19.4037 -19.3176 -19.3176 -6.9723 -6.9715 -6.3899 -6.3896 -6.1460 -6.1439 -6.0409 -6.0371 -5.4560 -5.4538 -5.2941 -5.2936 -3.8901 -3.8897 -2.8517 -2.8517 -2.6662 -2.6661 -1.9734 -1.9727 -1.6237 -1.6227 -1.5004 -1.4985 -1.2375 -1.2372 -0.9857 -0.9851 -0.3980 -0.3673 -0.3356 -0.3003 -0.1376 -0.1151 -0.0833 -0.0567 8.2950 8.2962 8.7147 8.7160 11.1735 11.1798 11.3223 11.3293 11.4963 11.4976 k = 0.0000 0.0000 0.3624 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5256 -22.5256 -22.3058 -22.3058 -21.7431 -21.7431 -21.4458 -21.4458 -19.4036 -19.4036 -19.3177 -19.3177 -6.9721 -6.9717 -6.3899 -6.3897 -6.1454 -6.1443 -6.0397 -6.0378 -5.4556 -5.4545 -5.2943 -5.2941 -3.8902 -3.8900 -2.8518 -2.8518 -2.6663 -2.6663 -1.9724 -1.9720 -1.6233 -1.6228 -1.4976 -1.4966 -1.2373 -1.2372 -0.9900 -0.9897 -0.3845 -0.3666 -0.3273 -0.3071 -0.1322 -0.1179 -0.0868 -0.0703 8.3734 8.3743 8.6340 8.6350 11.1818 11.1852 11.3207 11.3245 11.4975 11.4982 k = 0.0000 0.0000 0.3769 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5255 -22.5255 -22.3059 -22.3059 -21.7431 -21.7431 -21.4458 -21.4458 -19.4036 -19.4036 -19.3177 -19.3177 -6.9718 -6.9718 -6.3898 -6.3898 -6.1448 -6.1448 -6.0386 -6.0386 -5.4552 -5.4552 -5.2943 -5.2943 -3.8902 -3.8902 -2.8519 -2.8519 -2.6663 -2.6663 -1.9720 -1.9720 -1.6229 -1.6229 -1.4963 -1.4963 -1.2372 -1.2372 -0.9914 -0.9914 -0.3734 -0.3734 -0.3168 -0.3168 -0.1247 -0.1247 -0.0812 -0.0812 8.4148 8.4148 8.5927 8.5927 11.1859 11.1859 11.3214 11.3214 11.4982 11.4982 k = 0.5000-0.2785 0.3746 ( 9504 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2780 -22.2780 -22.2322 -22.2322 -21.9875 -21.9875 -21.5515 -21.5515 -19.4071 -19.4071 -19.3416 -19.3416 -7.0342 -7.0342 -6.2404 -6.2404 -6.1414 -6.1414 -5.8795 -5.8795 -5.2298 -5.2298 -4.8350 -4.8350 -3.4465 -3.4465 -3.2285 -3.2285 -2.8946 -2.8946 -2.7109 -2.7109 -2.2750 -2.2750 -1.5062 -1.5062 -1.3639 -1.3639 -1.0684 -1.0684 -0.4152 -0.4152 -0.1703 -0.1703 -0.0454 -0.0454 0.1012 0.1012 9.4820 9.4820 10.2180 10.2180 10.6746 10.6746 10.8739 10.8739 11.0933 11.0933 k = 0.4894-0.2725 0.3666 ( 9499 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2780 -22.2780 -22.2330 -22.2330 -21.9868 -21.9868 -21.5514 -21.5514 -19.4071 -19.4071 -19.3416 -19.3416 -7.0346 -7.0338 -6.2409 -6.2397 -6.1420 -6.1405 -5.8802 -5.8799 -5.2303 -5.2301 -4.8361 -4.8357 -3.4484 -3.4470 -3.2293 -3.2267 -2.8932 -2.8920 -2.7116 -2.7105 -2.2744 -2.2736 -1.5059 -1.5055 -1.3640 -1.3637 -1.0687 -1.0684 -0.4151 -0.4144 -0.1705 -0.1701 -0.0462 -0.0457 0.1004 0.1010 9.4805 9.4807 10.2141 10.2148 10.6649 10.6676 10.8816 10.8890 11.0924 11.0969 k = 0.4787-0.2666 0.3587 ( 9499 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2781 -22.2781 -22.2352 -22.2352 -21.9846 -21.9846 -21.5511 -21.5511 -19.4070 -19.4070 -19.3416 -19.3416 -7.0347 -7.0331 -6.2412 -6.2387 -6.1424 -6.1394 -5.8822 -5.8816 -5.2313 -5.2309 -4.8388 -4.8379 -3.4525 -3.4500 -3.2292 -3.2242 -2.8879 -2.8856 -2.7128 -2.7105 -2.2717 -2.2702 -1.5046 -1.5039 -1.3640 -1.3635 -1.0691 -1.0686 -0.4140 -0.4126 -0.1706 -0.1697 -0.0481 -0.0471 0.0986 0.0998 9.4762 9.4765 10.2034 10.2047 10.6439 10.6476 10.9076 10.9214 11.0944 11.1038 k = 0.4681-0.2607 0.3507 ( 9499 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2783 -22.2783 -22.2387 -22.2387 -21.9812 -21.9812 -21.5507 -21.5507 -19.4068 -19.4068 -19.3416 -19.3415 -7.0347 -7.0324 -6.2412 -6.2376 -6.1425 -6.1380 -5.8854 -5.8844 -5.2330 -5.2323 -4.8431 -4.8418 -3.4588 -3.4552 -3.2280 -3.2209 -2.8789 -2.8756 -2.7144 -2.7110 -2.2670 -2.2649 -1.5025 -1.5013 -1.3640 -1.3632 -1.0698 -1.0691 -0.4120 -0.4099 -0.1707 -0.1693 -0.0510 -0.0496 0.0957 0.0976 9.4688 9.4692 10.1864 10.1884 10.6187 10.6224 10.9435 10.9634 11.0994 11.1148 k = 0.4574-0.2548 0.3427 ( 9494 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2786 -22.2786 -22.2434 -22.2434 -21.9766 -21.9766 -21.5501 -21.5501 -19.4066 -19.4066 -19.3415 -19.3415 -7.0345 -7.0314 -6.2410 -6.2362 -6.1424 -6.1364 -5.8897 -5.8884 -5.2353 -5.2344 -4.8489 -4.8472 -3.4671 -3.4627 -3.2256 -3.2167 -2.8664 -2.8623 -2.7163 -2.7117 -2.2603 -2.2576 -1.4994 -1.4978 -1.3639 -1.3628 -1.0707 -1.0697 -0.4091 -0.4063 -0.1708 -0.1688 -0.0549 -0.0530 0.0920 0.0944 9.4577 9.4582 10.1643 10.1667 10.5933 10.5965 10.9827 11.0096 11.1086 11.1314 k = 0.4468-0.2488 0.3348 ( 9493 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2791 -22.2791 -22.2491 -22.2491 -21.9709 -21.9709 -21.5494 -21.5493 -19.4063 -19.4063 -19.3415 -19.3415 -7.0342 -7.0304 -6.2406 -6.2347 -6.1420 -6.1346 -5.8952 -5.8936 -5.2381 -5.2370 -4.8563 -4.8542 -3.4770 -3.4721 -3.2218 -3.2117 -2.8508 -2.8462 -2.7185 -2.7128 -2.2517 -2.2485 -1.4955 -1.4935 -1.3638 -1.3625 -1.0716 -1.0704 -0.4054 -0.4018 -0.1710 -0.1685 -0.0596 -0.0574 0.0872 0.0902 9.4423 9.4428 10.1385 10.1412 10.5695 10.5722 11.0204 11.0543 11.1252 11.1556 k = 0.4362-0.2429 0.3268 ( 9499 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2799 -22.2799 -22.2554 -22.2554 -21.9644 -21.9644 -21.5484 -21.5484 -19.4060 -19.4060 -19.3415 -19.3415 -7.0337 -7.0291 -6.2400 -6.2329 -6.1414 -6.1326 -5.9019 -5.9000 -5.2414 -5.2401 -4.8651 -4.8627 -3.4885 -3.4833 -3.2168 -3.2057 -2.8325 -2.8276 -2.7209 -2.7139 -2.2413 -2.2376 -1.4910 -1.4885 -1.3636 -1.3620 -1.0725 -1.0711 -0.4008 -0.3966 -0.1714 -0.1683 -0.0650 -0.0624 0.0816 0.0851 9.4216 9.4222 10.1108 10.1137 10.5479 10.5501 11.0534 11.0888 11.1569 11.1894 k = 0.4255-0.2370 0.3188 ( 9501 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2813 -22.2813 -22.2620 -22.2620 -21.9571 -21.9571 -21.5473 -21.5473 -19.4057 -19.4057 -19.3415 -19.3415 -7.0331 -7.0278 -6.2392 -6.2310 -6.1406 -6.1304 -5.9096 -5.9074 -5.2451 -5.2437 -4.8752 -4.8725 -3.5012 -3.4959 -3.2104 -3.1988 -2.8119 -2.8070 -2.7235 -2.7150 -2.2293 -2.2252 -1.4859 -1.4829 -1.3634 -1.3616 -1.0733 -1.0717 -0.3955 -0.3906 -0.1722 -0.1685 -0.0709 -0.0680 0.0752 0.0791 9.3950 9.3954 10.0831 10.0859 10.5284 10.5302 11.0813 11.1116 11.2043 11.2323 k = 0.4149-0.2311 0.3108 ( 9498 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2841 -22.2841 -22.2678 -22.2678 -21.9493 -21.9493 -21.5460 -21.5460 -19.4053 -19.4053 -19.3414 -19.3414 -7.0323 -7.0263 -6.2382 -6.2289 -6.1395 -6.1280 -5.9183 -5.9158 -5.2493 -5.2477 -4.8866 -4.8836 -3.5150 -3.5096 -3.2027 -3.1909 -2.7897 -2.7849 -2.7263 -2.7155 -2.2156 -2.2112 -1.4803 -1.4768 -1.3632 -1.3612 -1.0738 -1.0721 -0.3896 -0.3840 -0.1737 -0.1693 -0.0769 -0.0737 0.0680 0.0723 9.3614 9.3618 10.0570 10.0597 10.5110 10.5124 11.1058 11.1301 11.2593 11.2822 k = 0.4043-0.2251 0.3029 ( 9499 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2893 -22.2893 -22.2718 -22.2718 -21.9410 -21.9410 -21.5446 -21.5446 -19.4049 -19.4048 -19.3413 -19.3413 -7.0314 -7.0248 -6.2370 -6.2266 -6.1383 -6.1255 -5.9280 -5.9252 -5.2538 -5.2521 -4.8992 -4.8960 -3.5295 -3.5242 -3.1939 -3.1820 -2.7679 -2.7615 -2.7289 -2.7138 -2.2005 -2.1959 -1.4745 -1.4704 -1.3631 -1.3608 -1.0739 -1.0722 -0.3830 -0.3768 -0.1761 -0.1710 -0.0828 -0.0793 0.0602 0.0647 9.3204 9.3207 10.0340 10.0364 10.4953 10.4966 11.1289 11.1486 11.3175 11.3365 k = 0.3936-0.2192 0.2949 ( 9501 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2968 -22.2968 -22.2740 -22.2740 -21.9324 -21.9324 -21.5430 -21.5429 -19.4044 -19.4044 -19.3412 -19.3412 -7.0303 -7.0231 -6.2357 -6.2242 -6.1368 -6.1228 -5.9386 -5.9356 -5.2586 -5.2568 -4.9127 -4.9093 -3.5445 -3.5394 -3.1841 -3.1722 -2.7513 -2.7388 -2.7288 -2.7063 -2.1842 -2.1794 -1.4685 -1.4638 -1.3631 -1.3605 -1.0734 -1.0716 -0.3761 -0.3692 -0.1799 -0.1741 -0.0880 -0.0842 0.0518 0.0564 9.2718 9.2721 10.0150 10.0172 10.4813 10.4824 11.1520 11.1683 11.3770 11.3934 k = 0.3830-0.2133 0.2869 ( 9503 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3056 -22.3055 -22.2752 -22.2752 -21.9236 -21.9236 -21.5412 -21.5412 -19.4040 -19.4039 -19.3411 -19.3411 -7.0291 -7.0213 -6.2342 -6.2217 -6.1352 -6.1201 -5.9501 -5.9468 -5.2637 -5.2617 -4.9272 -4.9237 -3.5600 -3.5551 -3.1734 -3.1616 -2.7442 -2.7362 -2.7068 -2.6887 -2.1666 -2.1617 -1.4626 -1.4571 -1.3634 -1.3605 -1.0721 -1.0703 -0.3688 -0.3614 -0.1852 -0.1788 -0.0922 -0.0880 0.0429 0.0476 9.2157 9.2161 10.0004 10.0023 10.4689 10.4699 11.1758 11.1895 11.4368 11.4516 k = 0.3723-0.2074 0.2790 ( 9507 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3150 -22.3150 -22.2760 -22.2760 -21.9146 -21.9146 -21.5392 -21.5392 -19.4035 -19.4035 -19.3409 -19.3409 -7.0278 -7.0195 -6.2325 -6.2191 -6.1335 -6.1173 -5.9623 -5.9587 -5.2689 -5.2669 -4.9425 -4.9389 -3.5757 -3.5709 -3.1618 -3.1503 -2.7435 -2.7383 -2.6786 -2.6642 -2.1481 -2.1431 -1.4568 -1.4506 -1.3639 -1.3607 -1.0699 -1.0680 -0.3614 -0.3535 -0.1923 -0.1855 -0.0950 -0.0905 0.0337 0.0385 9.1528 9.1534 9.9901 9.9919 10.4579 10.4589 11.2006 11.2123 11.4962 11.5103 k = 0.3617-0.2014 0.2710 ( 9511 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3249 -22.3249 -22.2765 -22.2765 -21.9056 -21.9056 -21.5371 -21.5371 -19.4030 -19.4030 -19.3407 -19.3406 -7.0264 -7.0175 -6.2308 -6.2165 -6.1317 -6.1145 -5.9752 -5.9714 -5.2743 -5.2721 -4.9585 -4.9547 -3.5914 -3.5869 -3.1494 -3.1383 -2.7453 -2.7406 -2.6491 -2.6365 -2.1287 -2.1237 -1.4513 -1.4442 -1.3649 -1.3613 -1.0665 -1.0646 -0.3541 -0.3458 -0.2011 -0.1942 -0.0964 -0.0917 0.0244 0.0291 9.0839 9.0847 9.9838 9.9856 10.4484 10.4493 11.2266 11.2368 11.5543 11.5684 k = 0.3511-0.1955 0.2630 ( 9518 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3350 -22.3350 -22.2770 -22.2770 -21.8966 -21.8966 -21.5348 -21.5348 -19.4026 -19.4026 -19.3404 -19.3404 -7.0249 -7.0156 -6.2289 -6.2137 -6.1298 -6.1117 -5.9886 -5.9845 -5.2798 -5.2775 -4.9750 -4.9712 -3.6071 -3.6028 -3.1365 -3.1256 -2.7479 -2.7430 -2.6188 -2.6073 -2.1086 -2.1036 -1.4461 -1.4382 -1.3665 -1.3623 -1.0618 -1.0599 -0.3470 -0.3385 -0.2114 -0.2048 -0.0963 -0.0914 0.0153 0.0196 9.0099 9.0108 9.9811 9.9830 10.4403 10.4413 11.2537 11.2627 11.6096 11.6246 k = 0.3404-0.1896 0.2551 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3452 -22.3452 -22.2774 -22.2774 -21.8877 -21.8877 -21.5323 -21.5323 -19.4022 -19.4022 -19.3400 -19.3400 -7.0233 -7.0135 -6.2270 -6.2110 -6.1280 -6.1090 -6.0024 -5.9982 -5.2853 -5.2830 -4.9919 -4.9881 -3.6227 -3.6186 -3.1230 -3.1125 -2.7506 -2.7456 -2.5879 -2.5771 -2.0879 -2.0830 -1.4414 -1.4326 -1.3687 -1.3639 -1.0557 -1.0536 -0.3406 -0.3320 -0.2230 -0.2168 -0.0949 -0.0901 0.0065 0.0104 8.9318 8.9328 9.9814 9.9834 10.4337 10.4348 11.2820 11.2900 11.6601 11.6766 k = 0.3298-0.1837 0.2471 ( 9522 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3554 -22.3554 -22.2777 -22.2777 -21.8789 -21.8789 -21.5297 -21.5297 -19.4018 -19.4018 -19.3396 -19.3396 -7.0216 -7.0115 -6.2251 -6.2084 -6.1263 -6.1064 -6.0166 -6.0120 -5.2908 -5.2884 -5.0091 -5.0054 -3.6381 -3.6341 -3.1091 -3.0989 -2.7533 -2.7482 -2.5566 -2.5464 -2.0668 -2.0620 -1.4373 -1.4275 -1.3715 -1.3661 -1.0481 -1.0459 -0.3351 -0.3268 -0.2352 -0.2301 -0.0925 -0.0879 -0.0015 0.0018 8.8503 8.8515 9.9843 9.9864 10.4286 10.4299 11.3111 11.3183 11.7022 11.7205 k = 0.3191-0.1777 0.2391 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3657 -22.3657 -22.2780 -22.2780 -21.8702 -21.8702 -21.5270 -21.5270 -19.4015 -19.4015 -19.3392 -19.3392 -7.0199 -7.0094 -6.2232 -6.2057 -6.1248 -6.1042 -6.0307 -6.0260 -5.2963 -5.2939 -5.0265 -5.0229 -3.6531 -3.6494 -3.0948 -3.0850 -2.7559 -2.7506 -2.5250 -2.5153 -2.0455 -2.0408 -1.4339 -1.4231 -1.3749 -1.3687 -1.0389 -1.0366 -0.3310 -0.3235 -0.2476 -0.2442 -0.0892 -0.0851 -0.0085 -0.0060 8.7664 8.7675 9.9892 9.9915 10.4250 10.4264 11.3410 11.3475 11.7316 11.7505 k = 0.3085-0.1718 0.2311 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3758 -22.3758 -22.2783 -22.2783 -21.8617 -21.8617 -21.5241 -21.5240 -19.4012 -19.4012 -19.3386 -19.3386 -7.0181 -7.0073 -6.2213 -6.2032 -6.1238 -6.1025 -6.0445 -6.0397 -5.3018 -5.2994 -5.0439 -5.0404 -3.6678 -3.6642 -3.0803 -3.0709 -2.7582 -2.7529 -2.4934 -2.4840 -2.0241 -2.0194 -1.4315 -1.4197 -1.3784 -1.3715 -1.0283 -1.0258 -0.3289 -0.3228 -0.2597 -0.2583 -0.0852 -0.0819 -0.0142 -0.0123 8.6806 8.6818 9.9957 9.9982 10.4231 10.4246 11.3713 11.3772 11.7468 11.7640 k = 0.2979-0.1659 0.2232 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3859 -22.3859 -22.2786 -22.2786 -21.8534 -21.8534 -21.5210 -21.5210 -19.4010 -19.4010 -19.3380 -19.3380 -7.0162 -7.0052 -6.2196 -6.2010 -6.1236 -6.1020 -6.0573 -6.0527 -5.3072 -5.3048 -5.0613 -5.0579 -3.6821 -3.6787 -3.0656 -3.0565 -2.7602 -2.7550 -2.4619 -2.4528 -2.0027 -1.9980 -1.4303 -1.4179 -1.3814 -1.3741 -1.0164 -1.0136 -0.3302 -0.3248 -0.2735 -0.2694 -0.0806 -0.0785 -0.0188 -0.0162 8.5936 8.5948 10.0034 10.0061 10.4228 10.4245 11.4018 11.4072 11.7505 11.7653 k = 0.2872-0.1600 0.2152 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3958 -22.3958 -22.2789 -22.2789 -21.8454 -21.8454 -21.5178 -21.5178 -19.4008 -19.4008 -19.3374 -19.3374 -7.0143 -7.0032 -6.2180 -6.1990 -6.1248 -6.1039 -6.0677 -6.0643 -5.3125 -5.3101 -5.0784 -5.0752 -3.6960 -3.6926 -3.0508 -3.0421 -2.7620 -2.7568 -2.4305 -2.4218 -1.9814 -1.9768 -1.4308 -1.4184 -1.3830 -1.3760 -1.0032 -1.0002 -0.3365 -0.3291 -0.2873 -0.2785 -0.0760 -0.0744 -0.0219 -0.0174 8.5059 8.5071 10.0120 10.0149 10.4243 10.4261 11.4320 11.4371 11.7467 11.7595 k = 0.2766-0.1540 0.2072 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4056 -22.4056 -22.2792 -22.2792 -21.8376 -21.8376 -21.5146 -21.5145 -19.4007 -19.4007 -19.3366 -19.3366 -7.0124 -7.0011 -6.2168 -6.1975 -6.1281 -6.1096 -6.0743 -6.0733 -5.3179 -5.3154 -5.0953 -5.0922 -3.7093 -3.7061 -3.0360 -3.0276 -2.7633 -2.7582 -2.3996 -2.3911 -1.9605 -1.9558 -1.4333 -1.4218 -1.3827 -1.3766 -0.9890 -0.9858 -0.3471 -0.3364 -0.2998 -0.2866 -0.0724 -0.0688 -0.0231 -0.0161 8.4180 8.4193 10.0211 10.0241 10.4276 10.4296 11.4617 11.4665 11.7384 11.7499 k = 0.2660-0.1481 0.1993 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4152 -22.4152 -22.2794 -22.2794 -21.8302 -21.8302 -21.5112 -21.5112 -19.4007 -19.4006 -19.3358 -19.3358 -7.0105 -6.9991 -6.2160 -6.1967 -6.1340 -6.1190 -6.0799 -6.0762 -5.3231 -5.3207 -5.1117 -5.1087 -3.7221 -3.7191 -3.0212 -3.0133 -2.7642 -2.7592 -2.3692 -2.3609 -1.9400 -1.9352 -1.4379 -1.4277 -1.3806 -1.3756 -0.9739 -0.9705 -0.3605 -0.3472 -0.3110 -0.2948 -0.0686 -0.0624 -0.0223 -0.0126 8.3305 8.3317 10.0305 10.0335 10.4329 10.4350 11.4902 11.4949 11.7275 11.7381 k = 0.2553-0.1422 0.1913 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4245 -22.4245 -22.2797 -22.2797 -21.8230 -21.8230 -21.5077 -21.5077 -19.4007 -19.4007 -19.3349 -19.3349 -7.0086 -6.9972 -6.2160 -6.1972 -6.1418 -6.1299 -6.0832 -6.0762 -5.3284 -5.3260 -5.1276 -5.1247 -3.7344 -3.7315 -3.0066 -2.9990 -2.7646 -2.7598 -2.3395 -2.3314 -1.9200 -1.9150 -1.4444 -1.4353 -1.3775 -1.3729 -0.9582 -0.9546 -0.3754 -0.3607 -0.3216 -0.3040 -0.0644 -0.0554 -0.0195 -0.0072 8.2435 8.2447 10.0397 10.0428 10.4403 10.4425 11.5171 11.5217 11.7152 11.7252 k = 0.2447-0.1363 0.1833 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4337 -22.4337 -22.2799 -22.2799 -21.8161 -21.8161 -21.5041 -21.5041 -19.4008 -19.4008 -19.3340 -19.3340 -7.0066 -6.9953 -6.2171 -6.1995 -6.1501 -6.1406 -6.0843 -6.0752 -5.3336 -5.3313 -5.1428 -5.1401 -3.7462 -3.7433 -2.9922 -2.9851 -2.7645 -2.7599 -2.3107 -2.3027 -1.9006 -1.8954 -1.4524 -1.4439 -1.3736 -1.3689 -0.9421 -0.9383 -0.3912 -0.3759 -0.3326 -0.3144 -0.0595 -0.0480 -0.0148 -0.0003 8.1577 8.1588 10.0486 10.0516 10.4500 10.4522 11.5412 11.5460 11.7027 11.7124 k = 0.2340-0.1303 0.1753 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4425 -22.4425 -22.2802 -22.2802 -21.8096 -21.8096 -21.5005 -21.5005 -19.4009 -19.4009 -19.3330 -19.3330 -7.0047 -6.9934 -6.2198 -6.2046 -6.1573 -6.1496 -6.0841 -6.0738 -5.3389 -5.3366 -5.1573 -5.1547 -3.7573 -3.7546 -2.9782 -2.9714 -2.7638 -2.7594 -2.2828 -2.2750 -1.8820 -1.8763 -1.4613 -1.4532 -1.3691 -1.3639 -0.9257 -0.9217 -0.4074 -0.3918 -0.3444 -0.3262 -0.0538 -0.0402 -0.0085 0.0078 8.0731 8.0743 10.0567 10.0597 10.4622 10.4644 11.5614 11.5663 11.6914 11.7010 k = 0.2234-0.1244 0.1674 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4511 -22.4511 -22.2804 -22.2804 -21.8034 -21.8034 -21.4968 -21.4968 -19.4011 -19.4011 -19.3320 -19.3320 -7.0028 -6.9917 -6.2247 -6.2127 -6.1631 -6.1557 -6.0833 -6.0723 -5.3442 -5.3420 -5.1709 -5.1684 -3.7679 -3.7653 -2.9645 -2.9582 -2.7624 -2.7583 -2.2562 -2.2484 -1.8641 -1.8580 -1.4709 -1.4629 -1.3639 -1.3583 -0.9093 -0.9052 -0.4238 -0.4080 -0.3572 -0.3391 -0.0473 -0.0322 -0.0007 0.0167 7.9903 7.9914 10.0640 10.0669 10.4769 10.4792 11.5754 11.5804 11.6838 11.6929 k = 0.2128-0.1185 0.1594 ( 9522 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4594 -22.4594 -22.2807 -22.2807 -21.7975 -21.7975 -21.4932 -21.4931 -19.4014 -19.4014 -19.3310 -19.3310 -7.0010 -6.9900 -6.2320 -6.2232 -6.1674 -6.1589 -6.0820 -6.0707 -5.3497 -5.3475 -5.1836 -5.1812 -3.7779 -3.7754 -2.9514 -2.9455 -2.7604 -2.7565 -2.2310 -2.2231 -1.8471 -1.8403 -1.4808 -1.4727 -1.3582 -1.3522 -0.8930 -0.8887 -0.4401 -0.4242 -0.3708 -0.3530 -0.0401 -0.0240 0.0081 0.0263 7.9094 7.9104 10.0703 10.0730 10.4944 10.4966 11.5810 11.5855 11.6823 11.6902 k = 0.2021-0.1126 0.1514 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4674 -22.4674 -22.2809 -22.2809 -21.7920 -21.7919 -21.4895 -21.4895 -19.4017 -19.4017 -19.3299 -19.3299 -6.9992 -6.9884 -6.2413 -6.2351 -6.1702 -6.1601 -6.0805 -6.0693 -5.3552 -5.3531 -5.1954 -5.1929 -3.7874 -3.7850 -2.9389 -2.9334 -2.7576 -2.7541 -2.2072 -2.1993 -1.8309 -1.8235 -1.4907 -1.4824 -1.3520 -1.3456 -0.8770 -0.8726 -0.4563 -0.4403 -0.3851 -0.3675 -0.0323 -0.0156 0.0179 0.0364 7.8307 7.8317 10.0753 10.0779 10.5145 10.5167 11.5778 11.5814 11.6871 11.6934 k = 0.1915-0.1066 0.1435 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4750 -22.4750 -22.2811 -22.2811 -21.7867 -21.7867 -21.4858 -21.4858 -19.4020 -19.4020 -19.3288 -19.3288 -6.9974 -6.9869 -6.2519 -6.2477 -6.1715 -6.1602 -6.0789 -6.0679 -5.3609 -5.3588 -5.2060 -5.2036 -3.7962 -3.7939 -2.9270 -2.9220 -2.7541 -2.7509 -2.1850 -2.1771 -1.8157 -1.8074 -1.5004 -1.4918 -1.3454 -1.3387 -0.8615 -0.8569 -0.4721 -0.4561 -0.3997 -0.3825 -0.0240 -0.0071 0.0282 0.0467 7.7545 7.7555 10.0791 10.0815 10.5375 10.5396 11.5678 11.5709 11.6953 11.7000 k = 0.1809-0.1007 0.1355 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4823 -22.4823 -22.2813 -22.2813 -21.7818 -21.7818 -21.4822 -21.4822 -19.4024 -19.4024 -19.3277 -19.3277 -6.9957 -6.9855 -6.2634 -6.2605 -6.1719 -6.1599 -6.0773 -6.0666 -5.3667 -5.3646 -5.2156 -5.2133 -3.8045 -3.8023 -2.9159 -2.9114 -2.7498 -2.7470 -2.1647 -2.1567 -1.8013 -1.7922 -1.5097 -1.5008 -1.3384 -1.3316 -0.8465 -0.8418 -0.4875 -0.4715 -0.4145 -0.3977 -0.0155 0.0014 0.0390 0.0572 7.6811 7.6820 10.0816 10.0839 10.5632 10.5653 11.5539 11.5568 11.7036 11.7072 k = 0.1702-0.0948 0.1275 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4893 -22.4893 -22.2815 -22.2815 -21.7773 -21.7772 -21.4786 -21.4786 -19.4028 -19.4028 -19.3266 -19.3266 -6.9940 -6.9842 -6.2751 -6.2731 -6.1717 -6.1593 -6.0757 -6.0655 -5.3726 -5.3706 -5.2241 -5.2218 -3.8122 -3.8101 -2.9057 -2.9016 -2.7448 -2.7424 -2.1462 -2.1381 -1.7878 -1.7779 -1.5185 -1.5092 -1.3311 -1.3242 -0.8322 -0.8275 -0.5023 -0.4865 -0.4292 -0.4128 -0.0067 0.0099 0.0499 0.0677 7.6105 7.6114 10.0829 10.0850 10.5915 10.5936 11.5381 11.5411 11.7101 11.7129 k = 0.1596-0.0889 0.1196 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4959 -22.4959 -22.2817 -22.2817 -21.7730 -21.7730 -21.4751 -21.4751 -19.4032 -19.4032 -19.3256 -19.3255 -6.9924 -6.9830 -6.2868 -6.2854 -6.1711 -6.1586 -6.0742 -6.0646 -5.3786 -5.3766 -5.2316 -5.2293 -3.8193 -3.8174 -2.8963 -2.8926 -2.7391 -2.7370 -2.1297 -2.1216 -1.7751 -1.7644 -1.5266 -1.5169 -1.3235 -1.3167 -0.8187 -0.8139 -0.5167 -0.5011 -0.4436 -0.4277 0.0023 0.0184 0.0608 0.0781 7.5431 7.5439 10.0832 10.0851 10.6223 10.6244 11.5216 11.5246 11.7137 11.7160 k = 0.1489-0.0829 0.1116 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5021 -22.5021 -22.2819 -22.2819 -21.7691 -21.7691 -21.4718 -21.4718 -19.4036 -19.4036 -19.3245 -19.3245 -6.9909 -6.9819 -6.2983 -6.2973 -6.1702 -6.1579 -6.0728 -6.0637 -5.3846 -5.3826 -5.2380 -5.2358 -3.8259 -3.8241 -2.8879 -2.8846 -2.7327 -2.7310 -2.1152 -2.1071 -1.7633 -1.7519 -1.5338 -1.5238 -1.3158 -1.3092 -0.8061 -0.8013 -0.5304 -0.5152 -0.4575 -0.4423 0.0112 0.0268 0.0716 0.0882 7.4791 7.4799 10.0824 10.0841 10.6556 10.6576 11.5048 11.5079 11.7138 11.7157 k = 0.1383-0.0770 0.1036 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5080 -22.5080 -22.2820 -22.2820 -21.7654 -21.7654 -21.4685 -21.4685 -19.4040 -19.4040 -19.3235 -19.3235 -6.9894 -6.9809 -6.3094 -6.3086 -6.1692 -6.1572 -6.0715 -6.0630 -5.3906 -5.3886 -5.2435 -5.2414 -3.8320 -3.8303 -2.8803 -2.8774 -2.7258 -2.7244 -2.1027 -2.0947 -1.7523 -1.7402 -1.5402 -1.5298 -1.3080 -1.3016 -0.7945 -0.7896 -0.5434 -0.5287 -0.4707 -0.4562 0.0201 0.0350 0.0822 0.0980 7.4186 7.4193 10.0809 10.0824 10.6910 10.6930 11.4884 11.4914 11.7100 11.7116 k = 0.1277-0.0711 0.0956 ( 9529 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5134 -22.5134 -22.2822 -22.2822 -21.7621 -21.7621 -21.4654 -21.4654 -19.4045 -19.4044 -19.3225 -19.3225 -6.9881 -6.9800 -6.3199 -6.3193 -6.1682 -6.1567 -6.0702 -6.0624 -5.3964 -5.3945 -5.2481 -5.2461 -3.8375 -3.8359 -2.8735 -2.8710 -2.7185 -2.7174 -2.0922 -2.0844 -1.7420 -1.7295 -1.5455 -1.5350 -1.3002 -1.2941 -0.7839 -0.7791 -0.5556 -0.5416 -0.4831 -0.4694 0.0288 0.0430 0.0924 0.1073 7.3619 7.3625 10.0787 10.0801 10.7284 10.7304 11.4724 11.4755 11.7021 11.7034 k = 0.1170-0.0652 0.0877 ( 9532 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5184 -22.5184 -22.2823 -22.2823 -21.7591 -21.7591 -21.4625 -21.4625 -19.4049 -19.4048 -19.3216 -19.3216 -6.9868 -6.9793 -6.3298 -6.3293 -6.1671 -6.1562 -6.0691 -6.0620 -5.4021 -5.4001 -5.2520 -5.2501 -3.8425 -3.8411 -2.8675 -2.8654 -2.7109 -2.7101 -2.0836 -2.0761 -1.7325 -1.7198 -1.5499 -1.5392 -1.2926 -1.2869 -0.7743 -0.7696 -0.5671 -0.5539 -0.4944 -0.4817 0.0373 0.0507 0.1021 0.1162 7.3090 7.3096 10.0760 10.0772 10.7676 10.7696 11.4572 11.4603 11.6900 11.6912 k = 0.1064-0.0592 0.0797 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5231 -22.5231 -22.2825 -22.2825 -21.7563 -21.7563 -21.4598 -21.4598 -19.4053 -19.4052 -19.3207 -19.3207 -6.9855 -6.9786 -6.3391 -6.3386 -6.1661 -6.1558 -6.0681 -6.0617 -5.4074 -5.4055 -5.2552 -5.2534 -3.8470 -3.8457 -2.8623 -2.8604 -2.7033 -2.7027 -2.0767 -2.0696 -1.7237 -1.7110 -1.5532 -1.5426 -1.2852 -1.2798 -0.7659 -0.7613 -0.5777 -0.5656 -0.5046 -0.4930 0.0455 0.0580 0.1113 0.1244 7.2602 7.2607 10.0729 10.0740 10.8083 10.8103 11.4428 11.4460 11.6739 11.6749 k = 0.0957-0.0533 0.0717 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5273 -22.5273 -22.2826 -22.2826 -21.7539 -21.7539 -21.4572 -21.4572 -19.4056 -19.4056 -19.3199 -19.3199 -6.9844 -6.9781 -6.3476 -6.3471 -6.1650 -6.1556 -6.0672 -6.0614 -5.4125 -5.4106 -5.2578 -5.2562 -3.8511 -3.8499 -2.8577 -2.8561 -2.6958 -2.6953 -2.0714 -2.0648 -1.7157 -1.7033 -1.5556 -1.5453 -1.2781 -1.2732 -0.7586 -0.7542 -0.5875 -0.5764 -0.5136 -0.5032 0.0533 0.0648 0.1199 0.1320 7.2155 7.2160 10.0696 10.0706 10.8503 10.8523 11.4295 11.4327 11.6540 11.6548 k = 0.0851-0.0474 0.0638 ( 9529 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5310 -22.5310 -22.2827 -22.2827 -21.7517 -21.7517 -21.4549 -21.4549 -19.4060 -19.4060 -19.3191 -19.3191 -6.9833 -6.9776 -6.3552 -6.3548 -6.1640 -6.1555 -6.0663 -6.0612 -5.4171 -5.4153 -5.2599 -5.2584 -3.8546 -3.8536 -2.8538 -2.8524 -2.6886 -2.6882 -2.0675 -2.0614 -1.7083 -1.6965 -1.5571 -1.5472 -1.2714 -1.2670 -0.7523 -0.7482 -0.5963 -0.5865 -0.5214 -0.5123 0.0606 0.0711 0.1279 0.1388 7.1752 7.1756 10.0663 10.0672 10.8932 10.8953 11.4173 11.4207 11.6304 11.6311 k = 0.0745-0.0415 0.0558 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5344 -22.5344 -22.2828 -22.2828 -21.7498 -21.7498 -21.4528 -21.4528 -19.4063 -19.4063 -19.3185 -19.3185 -6.9823 -6.9773 -6.3621 -6.3617 -6.1631 -6.1554 -6.0656 -6.0612 -5.4212 -5.4195 -5.2616 -5.2603 -3.8577 -3.8568 -2.8504 -2.8492 -2.6818 -2.6814 -2.0647 -2.0593 -1.7018 -1.6908 -1.5578 -1.5487 -1.2652 -1.2613 -0.7471 -0.7434 -0.6041 -0.5956 -0.5280 -0.5202 0.0673 0.0767 0.1351 0.1449 7.1394 7.1397 10.0631 10.0639 10.9367 10.9388 11.4062 11.4099 11.6036 11.6042 k = 0.0638-0.0355 0.0478 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5373 -22.5373 -22.2829 -22.2829 -21.7481 -21.7481 -21.4510 -21.4510 -19.4066 -19.4066 -19.3179 -19.3179 -6.9814 -6.9771 -6.3681 -6.3677 -6.1621 -6.1555 -6.0649 -6.0612 -5.4248 -5.4233 -5.2629 -5.2617 -3.8604 -3.8596 -2.8475 -2.8465 -2.6755 -2.6752 -2.0628 -2.0581 -1.6960 -1.6861 -1.5578 -1.5496 -1.2596 -1.2562 -0.7428 -0.7395 -0.6109 -0.6038 -0.5335 -0.5269 0.0734 0.0816 0.1416 0.1501 7.1081 7.1084 10.0601 10.0607 10.9803 10.9825 11.3966 11.4006 11.5740 11.5748 k = 0.0532-0.0296 0.0399 ( 9535 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5398 -22.5398 -22.2829 -22.2829 -21.7467 -21.7467 -21.4494 -21.4494 -19.4068 -19.4068 -19.3174 -19.3174 -6.9806 -6.9769 -6.3732 -6.3729 -6.1613 -6.1557 -6.0643 -6.0612 -5.4279 -5.4266 -5.2639 -5.2629 -3.8626 -3.8619 -2.8451 -2.8443 -2.6700 -2.6697 -2.0617 -2.0577 -1.6909 -1.6824 -1.5574 -1.5503 -1.2547 -1.2518 -0.7395 -0.7366 -0.6167 -0.6109 -0.5378 -0.5325 0.0788 0.0858 0.1473 0.1545 7.0814 7.0817 10.0574 10.0579 11.0234 11.0256 11.3883 11.3927 11.5423 11.5436 k = 0.0426-0.0237 0.0319 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5418 -22.5418 -22.2830 -22.2830 -21.7456 -21.7456 -21.4481 -21.4481 -19.4070 -19.4070 -19.3169 -19.3169 -6.9798 -6.9769 -6.3774 -6.3771 -6.1605 -6.1559 -6.0638 -6.0613 -5.4304 -5.4293 -5.2646 -5.2638 -3.8644 -3.8639 -2.8431 -2.8425 -2.6653 -2.6651 -2.0610 -2.0578 -1.6866 -1.6796 -1.5567 -1.5508 -1.2505 -1.2482 -0.7369 -0.7345 -0.6214 -0.6168 -0.5412 -0.5370 0.0835 0.0891 0.1522 0.1580 7.0595 7.0597 10.0550 10.0555 11.0650 11.0672 11.3814 11.3865 11.5095 11.5115 k = 0.0319-0.0178 0.0239 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5434 -22.5434 -22.2830 -22.2830 -21.7447 -21.7447 -21.4471 -21.4471 -19.4072 -19.4072 -19.3166 -19.3166 -6.9792 -6.9770 -6.3806 -6.3804 -6.1597 -6.1563 -6.0633 -6.0615 -5.4324 -5.4315 -5.2651 -5.2645 -3.8658 -3.8654 -2.8416 -2.8411 -2.6615 -2.6613 -2.0605 -2.0581 -1.6830 -1.6777 -1.5557 -1.5513 -1.2471 -1.2454 -0.7349 -0.7331 -0.6250 -0.6216 -0.5435 -0.5405 0.0873 0.0916 0.1561 0.1606 7.0424 7.0426 10.0532 10.0535 11.1036 11.1059 11.3763 11.3819 11.4772 11.4800 k = 0.0213-0.0118 0.0159 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5445 -22.5445 -22.2831 -22.2831 -21.7441 -21.7441 -21.4464 -21.4464 -19.4073 -19.4073 -19.3164 -19.3164 -6.9786 -6.9771 -6.3830 -6.3828 -6.1590 -6.1567 -6.0629 -6.0617 -5.4337 -5.4331 -5.2654 -5.2650 -3.8667 -3.8664 -2.8405 -2.8402 -2.6587 -2.6586 -2.0603 -2.0586 -1.6802 -1.6766 -1.5548 -1.5517 -1.2446 -1.2434 -0.7335 -0.7323 -0.6274 -0.6252 -0.5450 -0.5430 0.0903 0.0932 0.1592 0.1622 7.0301 7.0302 10.0518 10.0520 11.1369 11.1389 11.3733 11.3791 11.4479 11.4514 k = 0.0106-0.0059 0.0080 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5452 -22.5452 -22.2831 -22.2831 -21.7437 -21.7437 -21.4459 -21.4459 -19.4074 -19.4074 -19.3162 -19.3162 -6.9781 -6.9773 -6.3843 -6.3843 -6.1583 -6.1572 -6.0625 -6.0619 -5.4345 -5.4342 -5.2656 -5.2654 -3.8672 -3.8671 -2.8398 -2.8397 -2.6570 -2.6569 -2.0600 -2.0591 -1.6782 -1.6764 -1.5538 -1.5523 -1.2429 -1.2423 -0.7326 -0.7320 -0.6286 -0.6275 -0.5457 -0.5447 0.0924 0.0938 0.1614 0.1629 7.0228 7.0228 10.0510 10.0511 11.1609 11.1621 11.3729 11.3775 11.4263 11.4294 k = 0.0000 0.0000 0.0000 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2831 -22.2831 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9777 -6.9777 -6.3848 -6.3848 -6.1577 -6.1577 -6.0622 -6.0622 -5.4346 -5.4346 -5.2655 -5.2655 -3.8674 -3.8674 -2.8395 -2.8395 -2.6564 -2.6564 -2.0596 -2.0596 -1.6769 -1.6769 -1.5530 -1.5530 -1.2422 -1.2422 -0.7321 -0.7321 -0.6287 -0.6287 -0.5456 -0.5456 0.0936 0.0936 0.1626 0.1626 7.0204 7.0204 10.0507 10.0507 11.1703 11.1703 11.3752 11.3752 11.4193 11.4193 k = 0.0000 0.0000 0.0000 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2831 -22.2831 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9777 -6.9777 -6.3848 -6.3848 -6.1577 -6.1577 -6.0622 -6.0622 -5.4346 -5.4346 -5.2655 -5.2655 -3.8674 -3.8674 -2.8395 -2.8395 -2.6564 -2.6564 -2.0596 -2.0596 -1.6769 -1.6769 -1.5530 -1.5530 -1.2422 -1.2422 -0.7321 -0.7321 -0.6287 -0.6287 -0.5456 -0.5456 0.0936 0.0936 0.1626 0.1626 7.0204 7.0204 10.0507 10.0507 11.1703 11.1703 11.3752 11.3752 11.4193 11.4193 k = 0.0000 0.0121 0.0079 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5452 -22.5452 -22.2831 -22.2831 -21.7438 -21.7438 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9781 -6.9773 -6.3844 -6.3844 -6.1583 -6.1572 -6.0625 -6.0619 -5.4348 -5.4346 -5.2654 -5.2648 -3.8673 -3.8670 -2.8404 -2.8401 -2.6566 -2.6564 -2.0599 -2.0594 -1.6772 -1.6766 -1.5541 -1.5529 -1.2426 -1.2418 -0.7326 -0.7322 -0.6289 -0.6272 -0.5462 -0.5444 0.0921 0.0942 0.1611 0.1633 7.0227 7.0228 10.0510 10.0512 11.1630 11.1645 11.3674 11.3691 11.4309 11.4339 k = 0.0000 0.0242 0.0157 ( 9543 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5446 -22.5446 -22.2831 -22.2831 -21.7445 -21.7445 -21.4460 -21.4460 -19.4073 -19.4073 -19.3164 -19.3164 -6.9786 -6.9771 -6.3833 -6.3832 -6.1590 -6.1567 -6.0628 -6.0617 -5.4349 -5.4345 -5.2643 -5.2632 -3.8668 -3.8663 -2.8427 -2.8422 -2.6571 -2.6567 -2.0603 -2.0593 -1.6774 -1.6762 -1.5562 -1.5538 -1.2431 -1.2415 -0.7338 -0.7329 -0.6279 -0.6245 -0.5461 -0.5424 0.0898 0.0940 0.1587 0.1630 7.0299 7.0300 10.0521 10.0523 11.1440 11.1466 11.3579 11.3597 11.4571 11.4613 k = 0.0000 0.0363 0.0236 ( 9544 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5435 -22.5435 -22.2830 -22.2830 -21.7455 -21.7455 -21.4462 -21.4462 -19.4072 -19.4072 -19.3166 -19.3166 -6.9792 -6.9769 -6.3815 -6.3812 -6.1598 -6.1564 -6.0631 -6.0615 -5.4352 -5.4346 -5.2624 -5.2608 -3.8659 -3.8651 -2.8465 -2.8457 -2.6579 -2.6572 -2.0609 -2.0594 -1.6775 -1.6757 -1.5593 -1.5556 -1.2438 -1.2413 -0.7357 -0.7343 -0.6258 -0.6205 -0.5453 -0.5396 0.0867 0.0930 0.1554 0.1619 7.0419 7.0421 10.0539 10.0542 11.1158 11.1190 11.3531 11.3547 11.4877 11.4926 k = 0.0000 0.0484 0.0314 ( 9548 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5420 -22.5420 -22.2830 -22.2830 -21.7470 -21.7470 -21.4465 -21.4465 -19.4070 -19.4069 -19.3170 -19.3170 -6.9799 -6.9769 -6.3789 -6.3786 -6.1607 -6.1562 -6.0634 -6.0613 -5.4354 -5.4346 -5.2596 -5.2574 -3.8645 -3.8635 -2.8516 -2.8506 -2.6588 -2.6580 -2.0618 -2.0599 -1.6776 -1.6751 -1.5632 -1.5583 -1.2444 -1.2412 -0.7384 -0.7365 -0.6224 -0.6152 -0.5437 -0.5360 0.0827 0.0911 0.1514 0.1600 7.0586 7.0588 10.0564 10.0568 11.0811 11.0847 11.3530 11.3544 11.5194 11.5248 k = 0.0000 0.0605 0.0393 ( 9551 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5400 -22.5400 -22.2829 -22.2829 -21.7489 -21.7489 -21.4468 -21.4468 -19.4067 -19.4067 -19.3175 -19.3174 -6.9807 -6.9769 -6.3755 -6.3752 -6.1617 -6.1560 -6.0638 -6.0612 -5.4356 -5.4348 -5.2559 -5.2532 -3.8627 -3.8614 -2.8580 -2.8568 -2.6601 -2.6590 -2.0633 -2.0608 -1.6774 -1.6742 -1.5680 -1.5618 -1.2452 -1.2412 -0.7419 -0.7396 -0.6180 -0.6087 -0.5413 -0.5314 0.0781 0.0884 0.1466 0.1572 7.0800 7.0803 10.0595 10.0601 11.0425 11.0462 11.3565 11.3577 11.5506 11.5564 k = 0.0000 0.0726 0.0471 ( 9550 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5377 -22.5377 -22.2828 -22.2828 -21.7512 -21.7512 -21.4473 -21.4473 -19.4064 -19.4064 -19.3180 -19.3180 -6.9815 -6.9771 -6.3714 -6.3711 -6.1627 -6.1560 -6.0641 -6.0611 -5.4359 -5.4349 -5.2513 -5.2481 -3.8605 -3.8589 -2.8657 -2.8642 -2.6615 -2.6602 -2.0654 -2.0625 -1.6771 -1.6732 -1.5734 -1.5660 -1.2459 -1.2413 -0.7464 -0.7436 -0.6125 -0.6011 -0.5379 -0.5258 0.0727 0.0848 0.1410 0.1536 7.1061 7.1064 10.0633 10.0639 11.0014 11.0051 11.3630 11.3641 11.5802 11.5865 k = 0.0000 0.0847 0.0550 ( 9544 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5349 -22.5349 -22.2827 -22.2827 -21.7540 -21.7540 -21.4478 -21.4478 -19.4060 -19.4060 -19.3187 -19.3186 -6.9824 -6.9773 -6.3666 -6.3662 -6.1638 -6.1561 -6.0644 -6.0612 -5.4361 -5.4350 -5.2458 -5.2422 -3.8578 -3.8560 -2.8746 -2.8728 -2.6631 -2.6617 -2.0685 -2.0652 -1.6767 -1.6720 -1.5794 -1.5706 -1.2468 -1.2415 -0.7519 -0.7488 -0.6059 -0.5923 -0.5336 -0.5190 0.0666 0.0805 0.1349 0.1493 7.1367 7.1371 10.0676 10.0683 10.9590 10.9626 11.3717 11.3728 11.6075 11.6141 k = 0.0000 0.0967 0.0628 ( 9535 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5317 -22.5317 -22.2826 -22.2826 -21.7571 -21.7571 -21.4484 -21.4484 -19.4056 -19.4056 -19.3194 -19.3194 -6.9834 -6.9777 -6.3611 -6.3607 -6.1650 -6.1563 -6.0648 -6.0613 -5.4363 -5.4352 -5.2395 -5.2354 -3.8547 -3.8526 -2.8846 -2.8825 -2.6649 -2.6633 -2.0727 -2.0690 -1.6761 -1.6706 -1.5855 -1.5755 -1.2476 -1.2418 -0.7586 -0.7551 -0.5983 -0.5825 -0.5280 -0.5111 0.0598 0.0754 0.1281 0.1442 7.1718 7.1722 10.0723 10.0731 10.9160 10.9195 11.3824 11.3835 11.6319 11.6389 k = 0.0000 0.1088 0.0707 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5281 -22.5281 -22.2825 -22.2825 -21.7607 -21.7607 -21.4490 -21.4490 -19.4052 -19.4052 -19.3202 -19.3202 -6.9845 -6.9782 -6.3549 -6.3546 -6.1662 -6.1566 -6.0652 -6.0615 -5.4364 -5.4352 -5.2322 -5.2277 -3.8511 -3.8487 -2.8955 -2.8933 -2.6669 -2.6650 -2.0783 -2.0743 -1.6757 -1.6694 -1.5915 -1.5802 -1.2485 -1.2422 -0.7665 -0.7626 -0.5898 -0.5719 -0.5213 -0.5021 0.0525 0.0696 0.1208 0.1385 7.2112 7.2117 10.0774 10.0783 10.8730 10.8764 11.3947 11.3959 11.6531 11.6604 k = 0.0000 0.1209 0.0785 ( 9522 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5240 -22.5240 -22.2823 -22.2823 -21.7647 -21.7647 -21.4497 -21.4497 -19.4047 -19.4047 -19.3211 -19.3211 -6.9856 -6.9787 -6.3481 -6.3478 -6.1675 -6.1570 -6.0657 -6.0618 -5.4365 -5.4353 -5.2241 -5.2192 -3.8470 -3.8443 -2.9074 -2.9049 -2.6690 -2.6669 -2.0855 -2.0811 -1.6758 -1.6688 -1.5966 -1.5843 -1.2494 -1.2426 -0.7755 -0.7713 -0.5804 -0.5604 -0.5133 -0.4918 0.0446 0.0630 0.1131 0.1321 7.2548 7.2554 10.0827 10.0837 10.8304 10.8336 11.4085 11.4099 11.6705 11.6781 k = 0.0000 0.1330 0.0864 ( 9514 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5196 -22.5196 -22.2822 -22.2822 -21.7691 -21.7691 -21.4505 -21.4505 -19.4042 -19.4041 -19.3221 -19.3220 -6.9868 -6.9794 -6.3407 -6.3403 -6.1689 -6.1575 -6.0662 -6.0623 -5.4364 -5.4352 -5.2150 -5.2099 -3.8424 -3.8395 -2.9201 -2.9173 -2.6713 -2.6689 -2.0944 -2.0897 -1.6770 -1.6696 -1.6000 -1.5871 -1.2503 -1.2431 -0.7858 -0.7813 -0.5702 -0.5484 -0.5038 -0.4804 0.0362 0.0557 0.1050 0.1253 7.3026 7.3032 10.0882 10.0893 10.7885 10.7916 11.4236 11.4252 11.6841 11.6919 k = 0.0000 0.1451 0.0942 ( 9519 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5148 -22.5148 -22.2820 -22.2820 -21.7739 -21.7739 -21.4513 -21.4513 -19.4036 -19.4036 -19.3231 -19.3231 -6.9881 -6.9802 -6.3328 -6.3322 -6.1704 -6.1582 -6.0668 -6.0629 -5.4362 -5.4351 -5.2051 -5.1997 -3.8374 -3.8341 -2.9335 -2.9304 -2.6736 -2.6710 -2.1051 -2.1001 -1.6798 -1.6726 -1.6009 -1.5881 -1.2512 -1.2436 -0.7972 -0.7925 -0.5591 -0.5359 -0.4931 -0.4679 0.0273 0.0477 0.0968 0.1180 7.3544 7.3550 10.0936 10.0948 10.7477 10.7506 11.4398 11.4416 11.6937 11.7016 k = 0.0000 0.1572 0.1021 ( 9515 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5096 -22.5096 -22.2818 -22.2818 -21.7791 -21.7791 -21.4522 -21.4522 -19.4030 -19.4030 -19.3242 -19.3242 -6.9895 -6.9812 -6.3244 -6.3236 -6.1718 -6.1588 -6.0674 -6.0637 -5.4359 -5.4347 -5.1943 -5.1887 -3.8318 -3.8282 -2.9475 -2.9442 -2.6761 -2.6733 -2.1177 -2.1124 -1.6847 -1.6783 -1.5987 -1.5866 -1.2521 -1.2441 -0.8099 -0.8049 -0.5473 -0.5230 -0.4809 -0.4545 0.0181 0.0391 0.0884 0.1103 7.4099 7.4107 10.0989 10.1002 10.7082 10.7110 11.4568 11.4589 11.6991 11.7072 k = 0.0000 0.1693 0.1099 ( 9517 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5039 -22.5039 -22.2816 -22.2816 -21.7846 -21.7846 -21.4531 -21.4531 -19.4024 -19.4024 -19.3254 -19.3253 -6.9909 -6.9822 -6.3155 -6.3144 -6.1734 -6.1596 -6.0682 -6.0646 -5.4354 -5.4343 -5.1827 -5.1768 -3.8257 -3.8218 -2.9621 -2.9585 -2.6786 -2.6755 -2.1321 -2.1266 -1.6919 -1.6865 -1.5936 -1.5827 -1.2528 -1.2446 -0.8236 -0.8184 -0.5348 -0.5098 -0.4676 -0.4402 0.0085 0.0298 0.0800 0.1022 7.4691 7.4700 10.1038 10.1053 10.6702 10.6728 11.4745 11.4769 11.7006 11.7088 k = 0.0000 0.1814 0.1178 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4980 -22.4980 -22.2814 -22.2814 -21.7906 -21.7906 -21.4540 -21.4540 -19.4018 -19.4018 -19.3266 -19.3265 -6.9923 -6.9833 -6.3063 -6.3047 -6.1749 -6.1603 -6.0690 -6.0657 -5.4347 -5.4336 -5.1702 -5.1642 -3.8191 -3.8148 -2.9772 -2.9733 -2.6812 -2.6779 -2.1484 -2.1427 -1.7012 -1.6966 -1.5862 -1.5765 -1.2535 -1.2450 -0.8383 -0.8330 -0.5216 -0.4962 -0.4532 -0.4252 -0.0014 0.0199 0.0717 0.0940 7.5319 7.5327 10.1083 10.1098 10.6340 10.6365 11.4925 11.4953 11.6984 11.7066 k = 0.0000 0.1935 0.1256 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4916 -22.4916 -22.2812 -22.2812 -21.7970 -21.7970 -21.4550 -21.4550 -19.4012 -19.4012 -19.3278 -19.3278 -6.9939 -6.9845 -6.2968 -6.2947 -6.1764 -6.1611 -6.0700 -6.0669 -5.4339 -5.4328 -5.1569 -5.1508 -3.8119 -3.8074 -2.9927 -2.9885 -2.6839 -2.6803 -2.1664 -2.1605 -1.7123 -1.7083 -1.5771 -1.5686 -1.2542 -1.2454 -0.8540 -0.8485 -0.5078 -0.4823 -0.4380 -0.4096 -0.0114 0.0096 0.0635 0.0856 7.5979 7.5988 10.1119 10.1136 10.5999 10.6023 11.5104 11.5136 11.6929 11.7012 k = 0.0000 0.2056 0.1335 ( 9528 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4849 -22.4849 -22.2810 -22.2810 -21.8037 -21.8037 -21.4560 -21.4560 -19.4006 -19.4005 -19.3291 -19.3290 -6.9955 -6.9859 -6.2871 -6.2843 -6.1777 -6.1617 -6.0711 -6.0683 -5.4329 -5.4317 -5.1428 -5.1367 -3.8042 -3.7993 -3.0085 -3.0040 -2.6866 -2.6827 -2.1860 -2.1799 -1.7250 -1.7211 -1.5668 -1.5592 -1.2547 -1.2457 -0.8705 -0.8648 -0.4935 -0.4680 -0.4221 -0.3936 -0.0216 -0.0011 0.0554 0.0772 7.6670 7.6680 10.1146 10.1163 10.5682 10.5705 11.5275 11.5312 11.6848 11.6933 k = 0.0000 0.2177 0.1413 ( 9524 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4778 -22.4778 -22.2807 -22.2807 -21.8108 -21.8108 -21.4570 -21.4570 -19.3999 -19.3999 -19.3304 -19.3303 -6.9971 -6.9873 -6.2773 -6.2738 -6.1789 -6.1621 -6.0723 -6.0699 -5.4316 -5.4303 -5.1280 -5.1218 -3.7960 -3.7907 -3.0246 -3.0198 -2.6895 -2.6853 -2.2072 -2.2008 -1.7387 -1.7348 -1.5556 -1.5488 -1.2551 -1.2459 -0.8877 -0.8819 -0.4786 -0.4533 -0.4060 -0.3774 -0.0318 -0.0120 0.0476 0.0687 7.7391 7.7402 10.1160 10.1179 10.5391 10.5412 11.5425 11.5469 11.6756 11.6842 k = 0.0000 0.2298 0.1492 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4704 -22.4704 -22.2805 -22.2805 -21.8182 -21.8182 -21.4580 -21.4580 -19.3993 -19.3993 -19.3317 -19.3316 -6.9988 -6.9888 -6.2677 -6.2632 -6.1798 -6.1623 -6.0736 -6.0715 -5.4301 -5.4287 -5.1124 -5.1063 -3.7872 -3.7816 -3.0409 -3.0358 -2.6924 -2.6879 -2.2296 -2.2231 -1.7534 -1.7493 -1.5438 -1.5377 -1.2553 -1.2461 -0.9055 -0.8995 -0.4634 -0.4383 -0.3897 -0.3612 -0.0418 -0.0229 0.0400 0.0604 7.8139 7.8150 10.1160 10.1179 10.5129 10.5150 11.5534 11.5585 11.6675 11.6762 k = 0.0000 0.2419 0.1571 ( 9518 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4627 -22.4627 -22.2802 -22.2802 -21.8260 -21.8260 -21.4590 -21.4590 -19.3988 -19.3987 -19.3330 -19.3329 -7.0005 -6.9904 -6.2584 -6.2529 -6.1802 -6.1619 -6.0751 -6.0733 -5.4284 -5.4269 -5.0962 -5.0901 -3.7779 -3.7719 -3.0574 -3.0519 -2.6953 -2.6905 -2.2533 -2.2467 -1.7688 -1.7645 -1.5318 -1.5263 -1.2554 -1.2461 -0.9238 -0.9176 -0.4479 -0.4230 -0.3735 -0.3452 -0.0514 -0.0337 0.0327 0.0521 7.8912 7.8924 10.1142 10.1162 10.4898 10.4918 11.5572 11.5626 11.6640 11.6725 k = 0.0000 0.2540 0.1649 ( 9524 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4547 -22.4547 -22.2799 -22.2799 -21.8341 -21.8341 -21.4600 -21.4600 -19.3982 -19.3982 -19.3343 -19.3342 -7.0023 -6.9921 -6.2498 -6.2431 -6.1797 -6.1608 -6.0768 -6.0751 -5.4264 -5.4247 -5.0793 -5.0733 -3.7681 -3.7616 -3.0740 -3.0680 -2.6985 -2.6933 -2.2781 -2.2713 -1.7848 -1.7803 -1.5198 -1.5148 -1.2554 -1.2459 -0.9423 -0.9359 -0.4321 -0.4074 -0.3578 -0.3296 -0.0605 -0.0440 0.0257 0.0441 7.9707 7.9720 10.1106 10.1126 10.4702 10.4721 11.5516 11.5566 11.6679 11.6756 k = 0.0000 0.2661 0.1728 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4463 -22.4463 -22.2796 -22.2796 -21.8426 -21.8426 -21.4610 -21.4610 -19.3977 -19.3976 -19.3355 -19.3355 -7.0041 -6.9938 -6.2422 -6.2345 -6.1778 -6.1588 -6.0786 -6.0770 -5.4241 -5.4224 -5.0619 -5.0559 -3.7577 -3.7508 -3.0906 -3.0842 -2.7017 -2.6962 -2.3037 -2.2967 -1.8011 -1.7965 -1.5080 -1.5035 -1.2551 -1.2457 -0.9609 -0.9544 -0.4162 -0.3918 -0.3428 -0.3148 -0.0688 -0.0535 0.0189 0.0363 8.0522 8.0535 10.1049 10.1071 10.4540 10.4559 11.5373 11.5415 11.6781 11.6850 k = 0.0000 0.2782 0.1806 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4377 -22.4377 -22.2793 -22.2793 -21.8513 -21.8513 -21.4620 -21.4620 -19.3972 -19.3971 -19.3368 -19.3368 -7.0059 -6.9956 -6.2360 -6.2274 -6.1742 -6.1554 -6.0805 -6.0789 -5.4216 -5.4197 -5.0439 -5.0381 -3.7468 -3.7395 -3.1072 -3.1004 -2.7051 -2.6992 -2.3300 -2.3230 -1.8178 -1.8130 -1.4966 -1.4925 -1.2548 -1.2453 -0.9794 -0.9727 -0.4004 -0.3762 -0.3288 -0.3010 -0.0759 -0.0619 0.0124 0.0288 8.1354 8.1369 10.0974 10.0996 10.4413 10.4431 11.5170 11.5205 11.6917 11.6982 k = 0.0000 0.2902 0.1885 ( 9531 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4288 -22.4288 -22.2790 -22.2790 -21.8604 -21.8604 -21.4630 -21.4630 -19.3967 -19.3967 -19.3380 -19.3380 -7.0078 -6.9975 -6.2314 -6.2224 -6.1683 -6.1506 -6.0824 -6.0808 -5.4188 -5.4169 -5.0255 -5.0198 -3.7355 -3.7277 -3.1237 -3.1164 -2.7087 -2.7025 -2.3569 -2.3498 -1.8347 -1.8298 -1.4859 -1.4822 -1.2542 -1.2447 -0.9976 -0.9907 -0.3849 -0.3610 -0.3159 -0.2886 -0.0815 -0.0687 0.0062 0.0215 8.2201 8.2216 10.0882 10.0903 10.4320 10.4337 11.4929 11.4959 11.7064 11.7128 k = 0.0000 0.3023 0.1963 ( 9534 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4196 -22.4196 -22.2787 -22.2787 -21.8697 -21.8697 -21.4640 -21.4640 -19.3964 -19.3963 -19.3392 -19.3392 -7.0096 -6.9994 -6.2285 -6.2194 -6.1606 -6.1443 -6.0843 -6.0826 -5.4158 -5.4137 -5.0067 -5.0011 -3.7237 -3.7154 -3.1401 -3.1323 -2.7126 -2.7059 -2.3842 -2.3770 -1.8516 -1.8467 -1.4761 -1.4727 -1.2535 -1.2441 -1.0152 -1.0082 -0.3701 -0.3467 -0.3041 -0.2778 -0.0851 -0.0735 0.0003 0.0146 8.3060 8.3076 10.0776 10.0797 10.4257 10.4274 11.4666 11.4689 11.7208 11.7274 k = 0.0000 0.3144 0.2042 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4102 -22.4102 -22.2784 -22.2784 -21.8793 -21.8793 -21.4649 -21.4649 -19.3960 -19.3960 -19.3403 -19.3403 -7.0114 -7.0013 -6.2272 -6.2179 -6.1516 -6.1368 -6.0860 -6.0841 -5.4125 -5.4104 -4.9876 -4.9821 -3.7114 -3.7027 -3.1564 -3.1480 -2.7168 -2.7096 -2.4118 -2.4046 -1.8685 -1.8636 -1.4674 -1.4643 -1.2527 -1.2433 -1.0321 -1.0250 -0.3563 -0.3343 -0.2931 -0.2686 -0.0864 -0.0759 -0.0052 0.0081 8.3926 8.3943 10.0660 10.0681 10.4223 10.4238 11.4390 11.4406 11.7337 11.7409 k = 0.0000 0.3265 0.2120 ( 9534 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4005 -22.4005 -22.2780 -22.2780 -21.8891 -21.8891 -21.4659 -21.4659 -19.3958 -19.3957 -19.3414 -19.3413 -7.0133 -7.0033 -6.2269 -6.2176 -6.1421 -6.1285 -6.0876 -6.0851 -5.4090 -5.4068 -4.9682 -4.9629 -3.6988 -3.6895 -3.1724 -3.1634 -2.7213 -2.7136 -2.4394 -2.4322 -1.8853 -1.8804 -1.4600 -1.4571 -1.2517 -1.2425 -1.0480 -1.0407 -0.3443 -0.3248 -0.2817 -0.2607 -0.0854 -0.0755 -0.0104 0.0019 8.4797 8.4815 10.0540 10.0559 10.4212 10.4226 11.4104 11.4117 11.7440 11.7521 k = 0.0000 0.3386 0.2199 ( 9532 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3907 -22.3907 -22.2776 -22.2776 -21.8992 -21.8992 -21.4668 -21.4668 -19.3956 -19.3955 -19.3423 -19.3423 -7.0151 -7.0053 -6.2275 -6.2181 -6.1331 -6.1200 -6.0887 -6.0848 -5.4053 -5.4031 -4.9488 -4.9436 -3.6858 -3.6760 -3.1881 -3.1785 -2.7261 -2.7179 -2.4670 -2.4597 -1.9018 -1.8970 -1.4540 -1.4514 -1.2506 -1.2417 -1.0625 -1.0553 -0.3350 -0.3192 -0.2693 -0.2533 -0.0819 -0.0726 -0.0152 -0.0039 8.5668 8.5687 10.0419 10.0438 10.4222 10.4235 11.3812 11.3828 11.7500 11.7593 k = 0.0000 0.3507 0.2277 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3806 -22.3806 -22.2773 -22.2773 -21.9095 -21.9095 -21.4677 -21.4677 -19.3954 -19.3954 -19.3432 -19.3432 -7.0168 -7.0073 -6.2287 -6.2191 -6.1257 -6.1124 -6.0887 -6.0825 -5.4014 -5.3992 -4.9293 -4.9242 -3.6726 -3.6622 -3.2036 -3.1933 -2.7314 -2.7225 -2.4944 -2.4871 -1.9181 -1.9133 -1.4497 -1.4472 -1.2494 -1.2410 -1.0755 -1.0683 -0.3294 -0.3175 -0.2557 -0.2452 -0.0763 -0.0674 -0.0196 -0.0093 8.6536 8.6555 10.0304 10.0322 10.4249 10.4261 11.3519 11.3544 11.7492 11.7597 k = 0.0000 0.3628 0.2356 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3704 -22.3704 -22.2768 -22.2768 -21.9199 -21.9199 -21.4685 -21.4685 -19.3953 -19.3953 -19.3441 -19.3441 -7.0186 -7.0093 -6.2302 -6.2206 -6.1210 -6.1073 -6.0857 -6.0776 -5.3974 -5.3952 -4.9099 -4.9049 -3.6591 -3.6481 -3.2186 -3.2076 -2.7372 -2.7275 -2.5213 -2.5140 -1.9338 -1.9291 -1.4471 -1.4447 -1.2482 -1.2403 -1.0867 -1.0797 -0.3280 -0.3188 -0.2413 -0.2356 -0.0691 -0.0607 -0.0234 -0.0141 8.7394 8.7413 10.0198 10.0215 10.4291 10.4301 11.3228 11.3265 11.7381 11.7491 k = 0.0000 0.3749 0.2434 ( 9525 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3601 -22.3601 -22.2764 -22.2764 -21.9306 -21.9306 -21.4693 -21.4693 -19.3953 -19.3953 -19.3448 -19.3448 -7.0202 -7.0113 -6.2319 -6.2224 -6.1189 -6.1058 -6.0788 -6.0704 -5.3932 -5.3910 -4.8906 -4.8857 -3.6455 -3.6339 -3.2331 -3.2214 -2.7434 -2.7329 -2.5478 -2.5404 -1.9490 -1.9445 -1.4463 -1.4439 -1.2470 -1.2398 -1.0960 -1.0893 -0.3302 -0.3225 -0.2270 -0.2241 -0.0607 -0.0534 -0.0261 -0.0181 8.8237 8.8257 10.0107 10.0123 10.4346 10.4352 11.2943 11.2995 11.7140 11.7242 k = 0.0000 0.3870 0.2513 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3497 -22.3497 -22.2759 -22.2759 -21.9413 -21.9413 -21.4701 -21.4701 -19.3954 -19.3953 -19.3455 -19.3455 -7.0219 -7.0132 -6.2337 -6.2243 -6.1186 -6.1066 -6.0695 -6.0618 -5.3890 -5.3868 -4.8716 -4.8669 -3.6317 -3.6195 -3.2472 -3.2346 -2.7502 -2.7386 -2.5736 -2.5661 -1.9636 -1.9593 -1.4472 -1.4448 -1.2458 -1.2395 -1.1034 -1.0971 -0.3352 -0.3279 -0.2136 -0.2106 -0.0522 -0.0473 -0.0270 -0.0204 8.9059 8.9080 10.0036 10.0051 10.4410 10.4414 11.2666 11.2736 11.6776 11.6865 k = 0.0000 0.3991 0.2591 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3394 -22.3394 -22.2753 -22.2753 -21.9522 -21.9522 -21.4708 -21.4708 -19.3955 -19.3954 -19.3461 -19.3461 -7.0234 -7.0151 -6.2355 -6.2264 -6.1193 -6.1083 -6.0594 -6.0525 -5.3847 -5.3826 -4.8530 -4.8484 -3.6181 -3.6052 -3.2606 -3.2473 -2.7574 -2.7448 -2.5987 -2.5908 -1.9775 -1.9733 -1.4497 -1.4472 -1.2448 -1.2393 -1.1088 -1.1030 -0.3418 -0.3348 -0.2005 -0.1964 -0.0463 -0.0434 -0.0257 -0.0185 8.9852 8.9874 9.9990 10.0004 10.4482 10.4485 11.2399 11.2489 11.6325 11.6405 k = 0.0000 0.4112 0.2670 ( 9522 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3290 -22.3290 -22.2746 -22.2746 -21.9632 -21.9632 -21.4715 -21.4715 -19.3956 -19.3956 -19.3466 -19.3466 -7.0248 -7.0170 -6.2373 -6.2285 -6.1206 -6.1104 -6.0491 -6.0430 -5.3804 -5.3784 -4.8349 -4.8304 -3.6045 -3.5910 -3.2734 -3.2592 -2.7652 -2.7513 -2.6228 -2.6145 -1.9905 -1.9866 -1.4537 -1.4512 -1.2439 -1.2393 -1.1124 -1.1072 -0.3494 -0.3425 -0.1875 -0.1825 -0.0462 -0.0410 -0.0211 -0.0117 9.0609 9.0631 9.9975 9.9988 10.4558 10.4565 11.2142 11.2257 11.5821 11.5903 k = 0.0000 0.4233 0.2748 ( 9514 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3189 -22.3189 -22.2736 -22.2736 -21.9741 -21.9741 -21.4722 -21.4722 -19.3958 -19.3958 -19.3471 -19.3470 -7.0262 -7.0188 -6.2391 -6.2307 -6.1221 -6.1127 -6.0391 -6.0336 -5.3762 -5.3742 -4.8174 -4.8131 -3.5911 -3.5771 -3.2854 -3.2705 -2.7734 -2.7582 -2.6459 -2.6368 -2.0027 -1.9991 -1.4588 -1.4563 -1.2431 -1.2394 -1.1144 -1.1099 -0.3574 -0.3509 -0.1747 -0.1692 -0.0478 -0.0417 -0.0129 -0.0029 9.1320 9.1342 9.9996 10.0008 10.4640 10.4652 11.1894 11.2038 11.5287 11.5383 k = 0.0000 0.4354 0.2827 ( 9509 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3092 -22.3092 -22.2722 -22.2722 -21.9851 -21.9851 -21.4728 -21.4728 -19.3960 -19.3960 -19.3474 -19.3474 -7.0275 -7.0206 -6.2408 -6.2328 -6.1237 -6.1150 -6.0294 -6.0245 -5.3720 -5.3702 -4.8007 -4.7966 -3.5782 -3.5636 -3.2966 -3.2809 -2.7820 -2.7653 -2.6678 -2.6578 -2.0140 -2.0106 -1.4648 -1.4623 -1.2425 -1.2395 -1.1152 -1.1113 -0.3655 -0.3594 -0.1625 -0.1567 -0.0497 -0.0436 -0.0036 0.0063 9.1976 9.1998 10.0060 10.0071 10.4726 10.4745 11.1655 11.1833 11.4741 11.4860 k = 0.0000 0.4475 0.2906 ( 9508 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3003 -22.3003 -22.2701 -22.2701 -21.9960 -21.9960 -21.4733 -21.4733 -19.3963 -19.3962 -19.3478 -19.3477 -7.0286 -7.0222 -6.2424 -6.2349 -6.1253 -6.1172 -6.0202 -6.0160 -5.3680 -5.3663 -4.7848 -4.7809 -3.5657 -3.5507 -3.3068 -3.2905 -2.7908 -2.7726 -2.6883 -2.6772 -2.0243 -2.0212 -1.4714 -1.4690 -1.2420 -1.2396 -1.1149 -1.1116 -0.3735 -0.3678 -0.1508 -0.1451 -0.0515 -0.0458 0.0059 0.0153 9.2568 9.2589 10.0170 10.0182 10.4817 10.4844 11.1421 11.1639 11.4197 11.4346 k = 0.0000 0.4596 0.2984 ( 9509 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2929 -22.2929 -22.2667 -22.2667 -22.0068 -22.0068 -21.4738 -21.4738 -19.3965 -19.3965 -19.3480 -19.3480 -7.0296 -7.0238 -6.2438 -6.2369 -6.1268 -6.1194 -6.0117 -6.0080 -5.3641 -5.3626 -4.7699 -4.7663 -3.5538 -3.5385 -3.3159 -3.2992 -2.7997 -2.7802 -2.7073 -2.6950 -2.0337 -2.0308 -1.4782 -1.4760 -1.2415 -1.2397 -1.1140 -1.1112 -0.3812 -0.3760 -0.1401 -0.1346 -0.0531 -0.0477 0.0150 0.0238 9.3088 9.3108 10.0329 10.0341 10.4912 10.4949 11.1186 11.1450 11.3668 11.3853 k = 0.0000 0.4716 0.3063 ( 9509 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2875 -22.2875 -22.2615 -22.2615 -22.0173 -22.0173 -21.4743 -21.4743 -19.3968 -19.3968 -19.3482 -19.3482 -7.0305 -7.0253 -6.2451 -6.2388 -6.1282 -6.1215 -6.0039 -6.0006 -5.3605 -5.3591 -4.7562 -4.7529 -3.5426 -3.5274 -3.3239 -3.3071 -2.8085 -2.7879 -2.7246 -2.7111 -2.0420 -2.0394 -1.4851 -1.4830 -1.2412 -1.2397 -1.1125 -1.1102 -0.3884 -0.3837 -0.1303 -0.1252 -0.0544 -0.0494 0.0235 0.0316 9.3532 9.3551 10.0535 10.0547 10.5014 10.5061 11.0943 11.1256 11.3170 11.3394 k = 0.0000 0.4837 0.3141 ( 9506 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2841 -22.2841 -22.2546 -22.2546 -22.0276 -22.0276 -21.4747 -21.4747 -19.3970 -19.3970 -19.3484 -19.3484 -7.0313 -7.0266 -6.2462 -6.2406 -6.1294 -6.1235 -5.9968 -5.9940 -5.3572 -5.3560 -4.7437 -4.7407 -3.5324 -3.5174 -3.3307 -3.3140 -2.8167 -2.7957 -2.7398 -2.7255 -2.0493 -2.0470 -1.4917 -1.4898 -1.2409 -1.2397 -1.1108 -1.1088 -0.3950 -0.3908 -0.1216 -0.1171 -0.0553 -0.0507 0.0314 0.0386 9.3900 9.3917 10.0780 10.0793 10.5123 10.5181 11.0682 11.1038 11.2725 11.2984 k = 0.0000 0.4958 0.3220 ( 9505 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2821 -22.2821 -22.2468 -22.2468 -22.0373 -22.0373 -21.4750 -21.4750 -19.3973 -19.3972 -19.3485 -19.3485 -7.0319 -7.0279 -6.2471 -6.2422 -6.1304 -6.1253 -5.9906 -5.9882 -5.3542 -5.3531 -4.7325 -4.7299 -3.5231 -3.5088 -3.3360 -3.3201 -2.8243 -2.8036 -2.7527 -2.7383 -2.0555 -2.0536 -1.4978 -1.4962 -1.2406 -1.2397 -1.1090 -1.1074 -0.4008 -0.3972 -0.1142 -0.1103 -0.0557 -0.0516 0.0384 0.0448 9.4195 9.4210 10.1052 10.1065 10.5242 10.5312 11.0398 11.0777 11.2360 11.2634 k = 0.0000 0.5079 0.3298 ( 9500 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2809 -22.2809 -22.2389 -22.2389 -22.0464 -22.0463 -21.4753 -21.4753 -19.3975 -19.3975 -19.3486 -19.3486 -7.0324 -7.0290 -6.2478 -6.2437 -6.1313 -6.1269 -5.9852 -5.9832 -5.3516 -5.3507 -4.7229 -4.7206 -3.5148 -3.5017 -3.3400 -3.3253 -2.8308 -2.8115 -2.7631 -2.7495 -2.0608 -2.0592 -1.5033 -1.5019 -1.2404 -1.2396 -1.1072 -1.1059 -0.4059 -0.4028 -0.1081 -0.1048 -0.0557 -0.0521 0.0446 0.0500 9.4424 9.4436 10.1333 10.1344 10.5373 10.5454 11.0090 11.0461 11.2091 11.2352 k = 0.0000 0.5200 0.3377 ( 9497 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2802 -22.2802 -22.2315 -22.2315 -22.0545 -22.0545 -21.4756 -21.4756 -19.3977 -19.3977 -19.3487 -19.3487 -7.0327 -7.0300 -6.2484 -6.2450 -6.1319 -6.1284 -5.9807 -5.9791 -5.3494 -5.3486 -4.7148 -4.7129 -3.5077 -3.4963 -3.3426 -3.3298 -2.8361 -2.8192 -2.7711 -2.7590 -2.0650 -2.0637 -1.5079 -1.5068 -1.2402 -1.2396 -1.1056 -1.1046 -0.4100 -0.4076 -0.1032 -0.1007 -0.0553 -0.0522 0.0498 0.0542 9.4596 9.4606 10.1601 10.1610 10.5517 10.5605 10.9773 11.0106 11.1913 11.2134 k = 0.0000 0.5321 0.3455 ( 9497 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2797 -22.2797 -22.2250 -22.2250 -22.0614 -22.0614 -21.4758 -21.4758 -19.3978 -19.3978 -19.3488 -19.3487 -7.0329 -7.0309 -6.2487 -6.2461 -6.1323 -6.1296 -5.9771 -5.9760 -5.3476 -5.3470 -4.7083 -4.7069 -3.5017 -3.4926 -3.3439 -3.3337 -2.8398 -2.8263 -2.7766 -2.7668 -2.0683 -2.0673 -1.5117 -1.5108 -1.2400 -1.2395 -1.1042 -1.1035 -0.4133 -0.4114 -0.0996 -0.0977 -0.0546 -0.0522 0.0540 0.0574 9.4720 9.4727 10.1835 10.1842 10.5669 10.5757 10.9472 10.9746 11.1805 11.1975 k = 0.0000 0.5442 0.3534 ( 9498 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2794 -22.2794 -22.2200 -22.2200 -22.0668 -22.0668 -21.4759 -21.4759 -19.3979 -19.3979 -19.3488 -19.3488 -7.0330 -7.0316 -6.2488 -6.2471 -6.1324 -6.1306 -5.9745 -5.9737 -5.3463 -5.3459 -4.7036 -4.7026 -3.4970 -3.4906 -3.3441 -3.3369 -2.8418 -2.8324 -2.7798 -2.7730 -2.0705 -2.0699 -1.5143 -1.5138 -1.2398 -1.2395 -1.1032 -1.1027 -0.4155 -0.4143 -0.0970 -0.0958 -0.0538 -0.0522 0.0572 0.0595 9.4803 9.4808 10.2016 10.2021 10.5818 10.5893 10.9223 10.9421 11.1749 11.1861 k = 0.0000 0.5563 0.3612 ( 9502 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2792 -22.2792 -22.2167 -22.2167 -22.0702 -22.0702 -21.4760 -21.4760 -19.3980 -19.3980 -19.3488 -19.3488 -7.0328 -7.0321 -6.2487 -6.2478 -6.1323 -6.1314 -5.9729 -5.9725 -5.3454 -5.3452 -4.7006 -4.7001 -3.4934 -3.4901 -3.3433 -3.3396 -2.8421 -2.8372 -2.7810 -2.7775 -2.0718 -2.0715 -1.5159 -1.5156 -1.2397 -1.2395 -1.1025 -1.1022 -0.4167 -0.4161 -0.0955 -0.0949 -0.0531 -0.0523 0.0594 0.0605 9.4851 9.4854 10.2131 10.2134 10.5939 10.5984 10.9070 10.9175 11.1730 11.1786 k = 0.0000 0.5684 0.3691 ( 9504 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2791 -22.2791 -22.2156 -22.2156 -22.0714 -22.0714 -21.4760 -21.4760 -19.3980 -19.3980 -19.3488 -19.3488 -7.0326 -7.0326 -6.2484 -6.2484 -6.1320 -6.1320 -5.9722 -5.9722 -5.3451 -5.3451 -4.6995 -4.6995 -3.4911 -3.4911 -3.3418 -3.3418 -2.8405 -2.8405 -2.7802 -2.7802 -2.0722 -2.0722 -1.5163 -1.5163 -1.2396 -1.2396 -1.1022 -1.1022 -0.4169 -0.4169 -0.0948 -0.0948 -0.0526 -0.0526 0.0605 0.0605 9.4868 9.4868 10.2171 10.2171 10.6002 10.6002 10.9050 10.9050 11.1743 11.1743 k = 0.5000 0.2899 0.3668 ( 9506 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2971 -22.2971 -22.2644 -22.2644 -21.8064 -21.8064 -21.6832 -21.6832 -19.4047 -19.4047 -19.3433 -19.3433 -7.0358 -7.0358 -6.2371 -6.2371 -6.1498 -6.1498 -5.9678 -5.9678 -5.2445 -5.2445 -4.8146 -4.8146 -3.6026 -3.6026 -3.2220 -3.2220 -2.7585 -2.7585 -2.3746 -2.3746 -2.2274 -2.2274 -1.7870 -1.7870 -1.2930 -1.2930 -1.0686 -1.0686 -0.3768 -0.3768 -0.1482 -0.1482 -0.0787 -0.0787 0.0284 0.0284 9.5409 9.5409 10.2591 10.2591 10.6400 10.6400 10.9397 10.9397 11.2482 11.2482 k = 0.4894 0.2838 0.3590 ( 9503 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2974 -22.2974 -22.2645 -22.2645 -21.8062 -21.8062 -21.6830 -21.6830 -19.4047 -19.4047 -19.3433 -19.3433 -7.0360 -7.0355 -6.2377 -6.2363 -6.1506 -6.1490 -5.9690 -5.9675 -5.2458 -5.2437 -4.8162 -4.8142 -3.6034 -3.6024 -3.2222 -3.2213 -2.7577 -2.7560 -2.3792 -2.3763 -2.2257 -2.2224 -1.7868 -1.7865 -1.2933 -1.2928 -1.0693 -1.0689 -0.3772 -0.3768 -0.1517 -0.1494 -0.0779 -0.0747 0.0280 0.0290 9.5415 9.5417 10.2371 10.2401 10.6548 10.6584 10.9384 10.9412 11.2491 11.2528 k = 0.4787 0.2776 0.3512 ( 9505 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.2984 -22.2984 -22.2648 -22.2648 -21.8055 -21.8055 -21.6823 -21.6823 -19.4047 -19.4047 -19.3431 -19.3431 -7.0361 -7.0351 -6.2382 -6.2355 -6.1515 -6.1482 -5.9710 -5.9680 -5.2474 -5.2433 -4.8190 -4.8150 -3.6050 -3.6029 -3.2218 -3.2201 -2.7536 -2.7502 -2.3889 -2.3839 -2.2178 -2.2119 -1.7861 -1.7855 -1.2936 -1.2926 -1.0708 -1.0699 -0.3780 -0.3773 -0.1584 -0.1547 -0.0728 -0.0671 0.0280 0.0300 9.5435 9.5440 10.1834 10.1881 10.6948 10.7003 10.9372 10.9431 11.2558 11.2631 k = 0.4681 0.2714 0.3434 ( 9504 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3001 -22.3001 -22.2653 -22.2653 -21.8044 -21.8044 -21.6811 -21.6811 -19.4048 -19.4048 -19.3429 -19.3429 -7.0361 -7.0346 -6.2386 -6.2345 -6.1524 -6.1474 -5.9740 -5.9693 -5.2494 -5.2434 -4.8229 -4.8169 -3.6072 -3.6041 -3.2207 -3.2183 -2.7463 -2.7414 -2.4020 -2.3957 -2.2052 -2.1974 -1.7847 -1.7838 -1.2941 -1.2926 -1.0731 -1.0718 -0.3792 -0.3781 -0.1670 -0.1626 -0.0650 -0.0576 0.0283 0.0314 9.5468 9.5475 10.1116 10.1170 10.7454 10.7508 10.9359 10.9455 11.2693 11.2799 k = 0.4574 0.2653 0.3356 ( 9508 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3026 -22.3025 -22.2659 -22.2659 -21.8028 -21.8028 -21.6794 -21.6794 -19.4049 -19.4049 -19.3426 -19.3426 -7.0359 -7.0340 -6.2389 -6.2335 -6.1534 -6.1465 -5.9777 -5.9715 -5.2517 -5.2439 -4.8280 -4.8201 -3.6101 -3.6060 -3.2187 -3.2157 -2.7361 -2.7297 -2.4171 -2.4101 -2.1897 -2.1807 -1.7827 -1.7815 -1.2947 -1.2926 -1.0761 -1.0743 -0.3808 -0.3793 -0.1763 -0.1716 -0.0560 -0.0473 0.0289 0.0331 9.5513 9.5523 10.0302 10.0357 10.7964 10.7996 10.9349 10.9493 11.2911 11.3044 k = 0.4468 0.2591 0.3278 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3057 -22.3057 -22.2665 -22.2665 -21.8010 -21.8010 -21.6772 -21.6772 -19.4050 -19.4050 -19.3422 -19.3422 -7.0357 -7.0333 -6.2390 -6.2324 -6.1545 -6.1457 -5.9823 -5.9744 -5.2545 -5.2448 -4.8343 -4.8245 -3.6137 -3.6087 -3.2158 -3.2122 -2.7232 -2.7155 -2.4331 -2.4258 -2.1724 -2.1627 -1.7801 -1.7786 -1.2954 -1.2927 -1.0795 -1.0773 -0.3827 -0.3809 -0.1857 -0.1811 -0.0467 -0.0369 0.0298 0.0351 9.5565 9.5578 9.9438 9.9493 10.8391 10.8409 10.9358 10.9565 11.3224 11.3375 k = 0.4362 0.2529 0.3200 ( 9512 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3095 -22.3095 -22.2672 -22.2672 -21.7988 -21.7988 -21.6745 -21.6745 -19.4051 -19.4051 -19.3418 -19.3418 -7.0354 -7.0325 -6.2390 -6.2312 -6.1557 -6.1447 -5.9876 -5.9779 -5.2576 -5.2462 -4.8418 -4.8301 -3.6180 -3.6121 -3.2117 -3.2077 -2.7079 -2.6989 -2.4494 -2.4421 -2.1543 -2.1440 -1.7767 -1.7749 -1.2963 -1.2930 -1.0832 -1.0806 -0.3851 -0.3829 -0.1948 -0.1904 -0.0377 -0.0269 0.0311 0.0375 9.5618 9.5635 9.8553 9.8608 10.8641 10.8713 10.9436 10.9700 11.3634 11.3793 k = 0.4255 0.2468 0.3122 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3140 -22.3140 -22.2679 -22.2679 -21.7964 -21.7964 -21.6713 -21.6713 -19.4052 -19.4052 -19.3413 -19.3413 -7.0350 -7.0316 -6.2388 -6.2299 -6.1570 -6.1437 -5.9937 -5.9821 -5.2610 -5.2481 -4.8503 -4.8370 -3.6229 -3.6163 -3.2064 -3.2019 -2.6907 -2.6805 -2.4654 -2.4584 -2.1359 -2.1252 -1.7725 -1.7704 -1.2975 -1.2935 -1.0870 -1.0839 -0.3878 -0.3853 -0.2035 -0.1992 -0.0294 -0.0178 0.0327 0.0402 9.5646 9.5667 9.7683 9.7739 10.8737 10.8814 10.9639 10.9902 11.4135 11.4293 k = 0.4149 0.2406 0.3044 ( 9511 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3191 -22.3191 -22.2687 -22.2686 -21.7938 -21.7938 -21.6675 -21.6675 -19.4053 -19.4053 -19.3407 -19.3407 -7.0344 -7.0306 -6.2385 -6.2286 -6.1585 -6.1426 -6.0004 -5.9868 -5.2648 -5.2505 -4.8600 -4.8450 -3.6284 -3.6212 -3.1996 -3.1949 -2.6719 -2.6606 -2.4807 -2.4740 -2.1177 -2.1067 -1.7675 -1.7651 -1.2988 -1.2941 -1.0905 -1.0869 -0.3909 -0.3880 -0.2116 -0.2075 -0.0219 -0.0096 0.0347 0.0431 9.5565 9.5587 9.6927 9.6979 10.8724 10.8778 10.9912 11.0138 11.4706 11.4857 k = 0.4043 0.2344 0.2966 ( 9510 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3248 -22.3248 -22.2693 -22.2693 -21.7911 -21.7911 -21.6633 -21.6633 -19.4054 -19.4054 -19.3402 -19.3402 -7.0337 -7.0295 -6.2380 -6.2271 -6.1602 -6.1415 -6.0077 -5.9919 -5.2690 -5.2533 -4.8708 -4.8542 -3.6346 -3.6268 -3.1915 -3.1866 -2.6524 -2.6400 -2.4946 -2.4885 -2.0999 -2.0888 -1.7616 -1.7590 -1.3005 -1.2950 -1.0935 -1.0895 -0.3943 -0.3912 -0.2190 -0.2152 -0.0154 -0.0026 0.0369 0.0460 9.5146 9.5153 9.6530 9.6560 10.8645 10.8677 11.0194 11.0383 11.5322 11.5465 k = 0.3936 0.2283 0.2888 ( 9514 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3310 -22.3310 -22.2700 -22.2700 -21.7884 -21.7884 -21.6585 -21.6585 -19.4054 -19.4054 -19.3396 -19.3396 -7.0329 -7.0283 -6.2374 -6.2256 -6.1621 -6.1403 -6.0156 -5.9974 -5.2734 -5.2566 -4.8827 -4.8646 -3.6413 -3.6330 -3.1821 -3.1769 -2.6332 -2.6196 -2.5062 -2.5008 -2.0828 -2.0716 -1.7548 -1.7519 -1.3024 -1.2962 -1.0958 -1.0913 -0.3981 -0.3947 -0.2258 -0.2221 -0.0099 0.0031 0.0393 0.0489 9.4364 9.4377 9.6494 9.6505 10.8525 10.8542 11.0472 11.0629 11.5957 11.6095 k = 0.3830 0.2221 0.2810 ( 9512 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3377 -22.3377 -22.2707 -22.2707 -21.7857 -21.7856 -21.6532 -21.6532 -19.4054 -19.4054 -19.3390 -19.3389 -7.0319 -7.0271 -6.2366 -6.2241 -6.1643 -6.1390 -6.0240 -6.0031 -5.2781 -5.2604 -4.8955 -4.8761 -3.6485 -3.6399 -3.1713 -3.1660 -2.6165 -2.6018 -2.5134 -2.5086 -2.0666 -2.0555 -1.7471 -1.7440 -1.3046 -1.2976 -1.0970 -1.0921 -0.4023 -0.3985 -0.2319 -0.2283 -0.0054 0.0077 0.0416 0.0514 9.3455 9.3474 9.6589 9.6593 10.8376 10.8384 11.0747 11.0880 11.6575 11.6713 k = 0.3723 0.2159 0.2732 ( 9512 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3448 -22.3448 -22.2713 -22.2713 -21.7830 -21.7829 -21.6475 -21.6474 -19.4054 -19.4054 -19.3383 -19.3383 -7.0308 -7.0257 -6.2357 -6.2225 -6.1668 -6.1376 -6.0328 -6.0089 -5.2832 -5.2645 -4.9093 -4.8887 -3.6562 -3.6472 -3.1593 -3.1538 -2.6057 -2.5907 -2.5129 -2.5081 -2.0515 -2.0404 -1.7383 -1.7350 -1.3070 -1.2992 -1.0970 -1.0916 -0.4067 -0.4027 -0.2373 -0.2338 -0.0018 0.0111 0.0437 0.0535 9.2509 9.2530 9.6731 9.6739 10.8208 10.8210 11.1022 11.1136 11.7104 11.7248 k = 0.3617 0.2097 0.2654 ( 9517 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3522 -22.3522 -22.2720 -22.2720 -21.7803 -21.7803 -21.6413 -21.6412 -19.4053 -19.4053 -19.3377 -19.3377 -7.0296 -7.0242 -6.2347 -6.2208 -6.1696 -6.1363 -6.0419 -6.0147 -5.2884 -5.2691 -4.9239 -4.9022 -3.6642 -3.6551 -3.1462 -3.1406 -2.6032 -2.5894 -2.5023 -2.4965 -2.0376 -2.0266 -1.7287 -1.7252 -1.3096 -1.3011 -1.0955 -1.0898 -0.4115 -0.4072 -0.2422 -0.2386 0.0009 0.0135 0.0455 0.0551 9.1550 9.1571 9.6902 9.6913 10.8024 10.8027 11.1302 11.1402 11.7418 11.7531 k = 0.3511 0.2036 0.2575 ( 9515 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3599 -22.3599 -22.2726 -22.2726 -21.7778 -21.7778 -21.6346 -21.6346 -19.4052 -19.4052 -19.3371 -19.3371 -7.0283 -7.0226 -6.2336 -6.2191 -6.1728 -6.1349 -6.0511 -6.0204 -5.2939 -5.2740 -4.9393 -4.9167 -3.6725 -3.6634 -3.1322 -3.1264 -2.6075 -2.5953 -2.4832 -2.4761 -2.0249 -2.0141 -1.7182 -1.7145 -1.3124 -1.3031 -1.0925 -1.0865 -0.4166 -0.4120 -0.2465 -0.2428 0.0027 0.0149 0.0469 0.0561 9.0586 9.0608 9.7094 9.7108 10.7831 10.7836 11.1589 11.1677 11.7507 11.7568 k = 0.3404 0.1974 0.2497 ( 9520 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3679 -22.3679 -22.2732 -22.2732 -21.7754 -21.7754 -21.6276 -21.6276 -19.4051 -19.4051 -19.3365 -19.3365 -7.0268 -7.0209 -6.2325 -6.2174 -6.1763 -6.1337 -6.0604 -6.0260 -5.2995 -5.2793 -4.9554 -4.9319 -3.6812 -3.6720 -3.1175 -3.1116 -2.6153 -2.6044 -2.4592 -2.4510 -2.0135 -2.0028 -1.7069 -1.7030 -1.3152 -1.3052 -1.0879 -1.0817 -0.4219 -0.4171 -0.2504 -0.2465 0.0034 0.0151 0.0480 0.0567 8.9624 8.9644 9.7302 9.7318 10.7634 10.7642 11.1883 11.1964 11.7483 11.7514 k = 0.3298 0.1912 0.2419 ( 9526 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3760 -22.3760 -22.2738 -22.2738 -21.7731 -21.7731 -21.6203 -21.6203 -19.4049 -19.4049 -19.3360 -19.3360 -7.0252 -7.0191 -6.2314 -6.2157 -6.1803 -6.1326 -6.0695 -6.0313 -5.3053 -5.2848 -4.9721 -4.9479 -3.6900 -3.6809 -3.1022 -3.0961 -2.6246 -2.6147 -2.4324 -2.4235 -2.0033 -1.9928 -1.6951 -1.6910 -1.3179 -1.3073 -1.0816 -1.0752 -0.4275 -0.4225 -0.2539 -0.2497 0.0031 0.0141 0.0490 0.0571 8.8665 8.8685 9.7524 9.7542 10.7437 10.7446 11.2186 11.2261 11.7407 11.7422 k = 0.3191 0.1851 0.2341 ( 9527 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3843 -22.3843 -22.2744 -22.2744 -21.7709 -21.7709 -21.6127 -21.6127 -19.4047 -19.4046 -19.3354 -19.3354 -7.0234 -7.0173 -6.2304 -6.2142 -6.1846 -6.1320 -6.0780 -6.0361 -5.3112 -5.2906 -4.9892 -4.9645 -3.6990 -3.6900 -3.0865 -3.0803 -2.6343 -2.6252 -2.4039 -2.3944 -1.9944 -1.9839 -1.6828 -1.6785 -1.3205 -1.3092 -1.0736 -1.0670 -0.4333 -0.4281 -0.2572 -0.2527 0.0014 0.0117 0.0502 0.0574 8.7713 8.7732 9.7758 9.7778 10.7241 10.7252 11.2497 11.2568 11.7297 11.7311 k = 0.3085 0.1789 0.2263 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.3926 -22.3926 -22.2749 -22.2749 -21.7689 -21.7688 -21.6049 -21.6049 -19.4044 -19.4044 -19.3349 -19.3348 -7.0216 -7.0153 -6.2296 -6.2130 -6.1890 -6.1322 -6.0856 -6.0406 -5.3172 -5.2966 -5.0067 -4.9816 -3.7082 -3.6993 -3.0706 -3.0643 -2.6438 -2.6355 -2.3744 -2.3644 -1.9864 -1.9760 -1.6704 -1.6657 -1.3229 -1.3109 -1.0640 -1.0573 -0.4394 -0.4340 -0.2604 -0.2556 -0.0015 0.0079 0.0516 0.0579 8.6769 8.6787 9.8002 9.8024 10.7051 10.7063 11.2816 11.2885 11.7164 11.7183 k = 0.2979 0.1727 0.2185 ( 9536 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4010 -22.4010 -22.2755 -22.2755 -21.7669 -21.7669 -21.5969 -21.5969 -19.4041 -19.4041 -19.3343 -19.3343 -7.0197 -7.0133 -6.2292 -6.2126 -6.1932 -6.1335 -6.0916 -6.0446 -5.3231 -5.3026 -5.0245 -4.9991 -3.7174 -3.7087 -3.0548 -3.0483 -2.6531 -2.6453 -2.3443 -2.3338 -1.9795 -1.9689 -1.6580 -1.6530 -1.3249 -1.3123 -1.0529 -1.0461 -0.4456 -0.4400 -0.2637 -0.2586 -0.0056 0.0030 0.0533 0.0588 8.5835 8.5852 9.8255 9.8277 10.6869 10.6882 11.3141 11.3210 11.7013 11.7038 k = 0.2872 0.1666 0.2107 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4094 -22.4094 -22.2760 -22.2760 -21.7651 -21.7651 -21.5887 -21.5887 -19.4038 -19.4038 -19.3338 -19.3338 -7.0177 -7.0113 -6.2294 -6.2139 -6.1960 -6.1362 -6.0957 -6.0481 -5.3291 -5.3088 -5.0423 -5.0169 -3.7266 -3.7182 -3.0390 -3.0325 -2.6618 -2.6546 -2.3138 -2.3028 -1.9733 -1.9624 -1.6458 -1.6404 -1.3264 -1.3134 -1.0403 -1.0335 -0.4521 -0.4461 -0.2674 -0.2619 -0.0107 -0.0028 0.0552 0.0602 8.4913 8.4929 9.8513 9.8537 10.6697 10.6712 11.3470 11.3540 11.6846 11.6878 k = 0.2766 0.1604 0.2029 ( 9523 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4177 -22.4177 -22.2766 -22.2766 -21.7634 -21.7634 -21.5805 -21.5805 -19.4036 -19.4035 -19.3333 -19.3332 -7.0156 -7.0092 -6.2303 -6.2177 -6.1969 -6.1403 -6.0977 -6.0510 -5.3350 -5.3151 -5.0601 -5.0347 -3.7359 -3.7277 -3.0235 -3.0169 -2.6700 -2.6632 -2.2831 -2.2716 -1.9677 -1.9564 -1.6341 -1.6283 -1.3275 -1.3139 -1.0263 -1.0195 -0.4586 -0.4524 -0.2717 -0.2658 -0.0164 -0.0091 0.0574 0.0621 8.4004 8.4020 9.8775 9.8800 10.6539 10.6555 11.3803 11.3875 11.6666 11.6703 k = 0.2660 0.1542 0.1951 ( 9521 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4260 -22.4260 -22.2771 -22.2771 -21.7618 -21.7618 -21.5723 -21.5723 -19.4033 -19.4032 -19.3327 -19.3327 -7.0134 -7.0071 -6.2323 -6.2235 -6.1961 -6.1450 -6.0980 -6.0535 -5.3408 -5.3213 -5.0778 -5.0526 -3.7451 -3.7372 -3.0084 -3.0017 -2.6774 -2.6711 -2.2527 -2.2405 -1.9625 -1.9506 -1.6231 -1.6168 -1.3280 -1.3140 -1.0112 -1.0044 -0.4653 -0.4588 -0.2771 -0.2707 -0.0222 -0.0153 0.0598 0.0643 8.3110 8.3125 9.9039 9.9064 10.6398 10.6415 11.4136 11.4211 11.6473 11.6516 k = 0.2553 0.1481 0.1873 ( 9531 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4341 -22.4341 -22.2776 -22.2776 -21.7602 -21.7602 -21.5640 -21.5640 -19.4030 -19.4030 -19.3322 -19.3322 -7.0112 -7.0050 -6.2356 -6.2305 -6.1944 -6.1497 -6.0972 -6.0556 -5.3465 -5.3275 -5.0952 -5.0703 -3.7542 -3.7466 -2.9937 -2.9870 -2.6842 -2.6783 -2.2228 -2.2098 -1.9575 -1.9446 -1.6130 -1.6061 -1.3278 -1.3134 -0.9951 -0.9883 -0.4721 -0.4653 -0.2837 -0.2769 -0.0275 -0.0210 0.0624 0.0669 8.2233 8.2247 9.9300 9.9326 10.6277 10.6295 11.4465 11.4545 11.6269 11.6320 k = 0.2447 0.1419 0.1795 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4422 -22.4421 -22.2780 -22.2780 -21.7588 -21.7588 -21.5559 -21.5559 -19.4028 -19.4027 -19.3316 -19.3316 -7.0090 -7.0028 -6.2407 -6.2377 -6.1923 -6.1538 -6.0956 -6.0572 -5.3520 -5.3337 -5.1122 -5.0878 -3.7631 -3.7559 -2.9796 -2.9728 -2.6903 -2.6848 -2.1937 -2.1797 -1.9523 -1.9383 -1.6039 -1.5965 -1.3270 -1.3123 -0.9781 -0.9714 -0.4789 -0.4717 -0.2920 -0.2847 -0.0319 -0.0256 0.0651 0.0697 8.1374 8.1387 9.9554 9.9581 10.6181 10.6200 11.4785 11.4875 11.6057 11.6119 k = 0.2340 0.1357 0.1717 ( 9535 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4500 -22.4500 -22.2785 -22.2785 -21.7575 -21.7575 -21.5478 -21.5478 -19.4026 -19.4025 -19.3310 -19.3310 -7.0067 -7.0007 -6.2479 -6.2446 -6.1900 -6.1571 -6.0936 -6.0585 -5.3574 -5.3398 -5.1286 -5.1049 -3.7719 -3.7650 -2.9660 -2.9593 -2.6957 -2.6905 -2.1660 -2.1509 -1.9464 -1.9311 -1.5960 -1.5881 -1.3254 -1.3105 -0.9606 -0.9539 -0.4858 -0.4782 -0.3021 -0.2944 -0.0349 -0.0288 0.0679 0.0727 8.0534 8.0547 9.9799 9.9825 10.6114 10.6134 11.5083 11.5194 11.5840 11.5923 k = 0.2234 0.1295 0.1639 ( 9533 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4577 -22.4577 -22.2789 -22.2789 -21.7562 -21.7562 -21.5398 -21.5398 -19.4024 -19.4024 -19.3303 -19.3303 -7.0045 -6.9987 -6.2563 -6.2519 -6.1876 -6.1594 -6.0914 -6.0595 -5.3626 -5.3457 -5.1444 -5.1216 -3.7804 -3.7739 -2.9530 -2.9463 -2.7003 -2.6955 -2.1401 -2.1239 -1.9394 -1.9227 -1.5893 -1.5810 -1.3230 -1.3081 -0.9427 -0.9360 -0.4927 -0.4846 -0.3143 -0.3062 -0.0361 -0.0301 0.0708 0.0759 7.9715 7.9727 10.0027 10.0054 10.6082 10.6102 11.5309 11.5469 11.5647 11.5783 k = 0.2128 0.1234 0.1561 ( 9529 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4652 -22.4652 -22.2793 -22.2793 -21.7550 -21.7550 -21.5320 -21.5320 -19.4023 -19.4023 -19.3297 -19.3297 -7.0023 -6.9967 -6.2650 -6.2600 -6.1851 -6.1609 -6.0889 -6.0602 -5.3676 -5.3516 -5.1595 -5.1376 -3.7887 -3.7825 -2.9407 -2.9341 -2.7041 -2.6997 -2.1168 -2.0995 -1.9305 -1.9124 -1.5841 -1.5752 -1.3199 -1.3050 -0.9246 -0.9180 -0.4996 -0.4910 -0.3285 -0.3199 -0.0354 -0.0293 0.0738 0.0793 7.8920 7.8931 10.0236 10.0262 10.6088 10.6110 11.5293 11.5357 11.5819 11.5868 k = 0.2021 0.1172 0.1483 ( 9523 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4724 -22.4724 -22.2797 -22.2797 -21.7539 -21.7538 -21.5244 -21.5244 -19.4023 -19.4023 -19.3289 -19.3289 -7.0001 -6.9947 -6.2740 -6.2687 -6.1826 -6.1617 -6.0864 -6.0607 -5.3724 -5.3573 -5.1737 -5.1529 -3.7966 -3.7909 -2.9291 -2.9226 -2.7071 -2.7030 -2.0965 -2.0785 -1.9191 -1.8999 -1.5802 -1.5709 -1.3162 -1.3013 -0.9065 -0.9000 -0.5065 -0.4972 -0.3446 -0.3355 -0.0327 -0.0264 0.0769 0.0827 7.8148 7.8159 10.0419 10.0444 10.6139 10.6161 11.5107 11.5131 11.6075 11.6110 k = 0.1915 0.1110 0.1405 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4794 -22.4794 -22.2801 -22.2801 -21.7528 -21.7528 -21.5170 -21.5170 -19.4023 -19.4023 -19.3282 -19.3282 -6.9980 -6.9928 -6.2831 -6.2778 -6.1801 -6.1621 -6.0839 -6.0611 -5.3770 -5.3630 -5.1870 -5.1674 -3.8043 -3.7988 -2.9181 -2.9118 -2.7093 -2.7055 -2.0798 -2.0617 -1.9046 -1.8848 -1.5776 -1.5680 -1.3118 -1.2972 -0.8888 -0.8823 -0.5133 -0.5032 -0.3624 -0.3526 -0.0281 -0.0216 0.0800 0.0862 7.7403 7.7413 10.0573 10.0596 10.6238 10.6260 11.4883 11.4902 11.6316 11.6358 k = 0.1809 0.1049 0.1327 ( 9531 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4861 -22.4861 -22.2805 -22.2805 -21.7518 -21.7518 -21.5099 -21.5099 -19.4024 -19.4024 -19.3274 -19.3274 -6.9959 -6.9910 -6.2921 -6.2871 -6.1777 -6.1621 -6.0815 -6.0614 -5.3815 -5.3686 -5.1993 -5.1809 -3.8115 -3.8064 -2.9079 -2.9017 -2.7107 -2.7071 -2.0666 -2.0491 -1.8869 -1.8672 -1.5764 -1.5663 -1.3069 -1.2926 -0.8715 -0.8651 -0.5201 -0.5090 -0.3815 -0.3710 -0.0217 -0.0149 0.0832 0.0899 7.6685 7.6694 10.0695 10.0717 10.6387 10.6408 11.4652 11.4672 11.6536 11.6582 k = 0.1702 0.0987 0.1249 ( 9530 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4926 -22.4926 -22.2808 -22.2808 -21.7509 -21.7508 -21.5031 -21.5031 -19.4026 -19.4026 -19.3265 -19.3265 -6.9939 -6.9893 -6.3010 -6.2965 -6.1755 -6.1619 -6.0791 -6.0615 -5.3859 -5.3741 -5.2104 -5.1935 -3.8183 -3.8136 -2.8984 -2.8925 -2.7111 -2.7079 -2.0568 -2.0404 -1.8667 -1.8475 -1.5764 -1.5658 -1.3016 -1.2877 -0.8549 -0.8485 -0.5268 -0.5146 -0.4015 -0.3902 -0.0138 -0.0066 0.0864 0.0936 7.5996 7.6005 10.0785 10.0805 10.6586 10.6608 11.4421 11.4444 11.6726 11.6775 k = 0.1596 0.0925 0.1171 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.4987 -22.4987 -22.2811 -22.2811 -21.7500 -21.7500 -21.4965 -21.4965 -19.4028 -19.4028 -19.3257 -19.3257 -6.9920 -6.9877 -6.3097 -6.3059 -6.1733 -6.1615 -6.0768 -6.0616 -5.3902 -5.3796 -5.2204 -5.2050 -3.8247 -3.8203 -2.8897 -2.8840 -2.7107 -2.7077 -2.0500 -2.0348 -1.8449 -1.8263 -1.5774 -1.5663 -1.2961 -1.2827 -0.8391 -0.8328 -0.5334 -0.5200 -0.4221 -0.4098 -0.0048 0.0029 0.0897 0.0975 7.5338 7.5346 10.0845 10.0863 10.6833 10.6855 11.4195 11.4219 11.6882 11.6931 k = 0.1489 0.0864 0.1093 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5045 -22.5045 -22.2814 -22.2814 -21.7492 -21.7491 -21.4903 -21.4903 -19.4031 -19.4031 -19.3248 -19.3248 -6.9903 -6.9862 -6.3182 -6.3150 -6.1713 -6.1610 -6.0747 -6.0617 -5.3945 -5.3850 -5.2292 -5.2153 -3.8307 -3.8266 -2.8818 -2.8763 -2.7094 -2.7066 -2.0455 -2.0318 -1.8222 -1.8043 -1.5792 -1.5674 -1.2904 -1.2776 -0.8243 -0.8180 -0.5401 -0.5250 -0.4429 -0.4292 0.0052 0.0135 0.0931 0.1015 7.4713 7.4720 10.0877 10.0893 10.7125 10.7148 11.3975 11.4000 11.6997 11.7047 k = 0.1383 0.0802 0.1015 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5099 -22.5099 -22.2816 -22.2816 -21.7484 -21.7484 -21.4844 -21.4844 -19.4035 -19.4035 -19.3239 -19.3239 -6.9886 -6.9848 -6.3265 -6.3238 -6.1695 -6.1605 -6.0727 -6.0617 -5.3987 -5.3904 -5.2369 -5.2245 -3.8362 -3.8324 -2.8747 -2.8696 -2.7071 -2.7046 -2.0430 -2.0306 -1.7997 -1.7822 -1.5817 -1.5691 -1.2848 -1.2725 -0.8106 -0.8043 -0.5468 -0.5297 -0.4635 -0.4481 0.0157 0.0246 0.0967 0.1057 7.4122 7.4129 10.0885 10.0899 10.7457 10.7481 11.3763 11.3789 11.7069 11.7118 k = 0.1277 0.0740 0.0937 ( 9542 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5150 -22.5150 -22.2818 -22.2818 -21.7477 -21.7477 -21.4789 -21.4789 -19.4038 -19.4038 -19.3229 -19.3229 -6.9871 -6.9836 -6.3343 -6.3321 -6.1678 -6.1600 -6.0709 -6.0617 -5.4028 -5.3957 -5.2434 -5.2325 -3.8412 -3.8378 -2.8684 -2.8636 -2.7040 -2.7018 -2.0419 -2.0308 -1.7780 -1.7607 -1.5844 -1.5709 -1.2792 -1.2676 -0.7980 -0.7918 -0.5537 -0.5342 -0.4835 -0.4660 0.0264 0.0359 0.1005 0.1101 7.3567 7.3573 10.0875 10.0887 10.7824 10.7848 11.3562 11.3589 11.7094 11.7142 k = 0.1170 0.0679 0.0858 ( 9537 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5198 -22.5198 -22.2821 -22.2821 -21.7470 -21.7470 -21.4738 -21.4738 -19.4042 -19.4042 -19.3220 -19.3220 -6.9856 -6.9824 -6.3418 -6.3401 -6.1662 -6.1595 -6.0693 -6.0618 -5.4070 -5.4008 -5.2489 -5.2394 -3.8458 -3.8426 -2.8629 -2.8585 -2.7002 -2.6982 -2.0420 -2.0320 -1.7576 -1.7404 -1.5870 -1.5725 -1.2740 -1.2630 -0.7866 -0.7805 -0.5610 -0.5387 -0.5023 -0.4823 0.0370 0.0471 0.1047 0.1149 7.3049 7.3054 10.0850 10.0861 10.8220 10.8245 11.3374 11.3401 11.7070 11.7116 k = 0.1064 0.0617 0.0780 ( 9542 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5241 -22.5241 -22.2822 -22.2822 -21.7464 -21.7464 -21.4690 -21.4690 -19.4047 -19.4047 -19.3212 -19.3212 -6.9843 -6.9814 -6.3489 -6.3474 -6.1648 -6.1590 -6.0679 -6.0618 -5.4110 -5.4058 -5.2533 -5.2452 -3.8499 -3.8470 -2.8581 -2.8541 -2.6957 -2.6939 -2.0430 -2.0341 -1.7392 -1.7219 -1.5892 -1.5736 -1.2690 -1.2587 -0.7765 -0.7705 -0.5688 -0.5439 -0.5191 -0.4967 0.0471 0.0575 0.1094 0.1199 7.2570 7.2575 10.0815 10.0825 10.8640 10.8664 11.3200 11.3228 11.6996 11.7040 k = 0.0957 0.0555 0.0702 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5281 -22.5281 -22.2824 -22.2824 -21.7459 -21.7459 -21.4647 -21.4647 -19.4051 -19.4051 -19.3203 -19.3203 -6.9832 -6.9805 -6.3554 -6.3542 -6.1636 -6.1586 -6.0667 -6.0618 -5.4149 -5.4106 -5.2569 -5.2500 -3.8535 -3.8509 -2.8541 -2.8505 -2.6907 -2.6891 -2.0447 -2.0367 -1.7232 -1.7058 -1.5902 -1.5739 -1.2644 -1.2549 -0.7676 -0.7617 -0.5772 -0.5517 -0.5315 -0.5088 0.0564 0.0668 0.1148 0.1254 7.2131 7.2136 10.0774 10.0783 10.9077 10.9102 11.3043 11.3072 11.6871 11.6914 k = 0.0851 0.0494 0.0624 ( 9538 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5317 -22.5317 -22.2826 -22.2826 -21.7454 -21.7454 -21.4608 -21.4608 -19.4055 -19.4055 -19.3195 -19.3195 -6.9821 -6.9798 -6.3614 -6.3604 -6.1625 -6.1582 -6.0657 -6.0619 -5.4187 -5.4151 -5.2597 -5.2539 -3.8566 -3.8544 -2.8507 -2.8475 -2.6854 -2.6840 -2.0468 -2.0397 -1.7099 -1.6929 -1.5896 -1.5730 -1.2602 -1.2515 -0.7599 -0.7542 -0.5861 -0.5635 -0.5382 -0.5186 0.0646 0.0746 0.1211 0.1312 7.1734 7.1739 10.0730 10.0738 10.9524 10.9549 11.2907 11.2938 11.6697 11.6738 k = 0.0745 0.0432 0.0546 ( 9538 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5349 -22.5349 -22.2827 -22.2827 -21.7450 -21.7450 -21.4573 -21.4573 -19.4059 -19.4059 -19.3188 -19.3188 -6.9812 -6.9791 -6.3669 -6.3659 -6.1615 -6.1579 -6.0648 -6.0619 -5.4222 -5.4193 -5.2618 -5.2570 -3.8594 -3.8574 -2.8479 -2.8452 -2.6800 -2.6788 -2.0491 -2.0430 -1.6996 -1.6835 -1.5870 -1.5708 -1.2564 -1.2486 -0.7534 -0.7479 -0.5951 -0.5765 -0.5417 -0.5261 0.0717 0.0807 0.1280 0.1372 7.1381 7.1385 10.0685 10.0692 10.9974 10.9999 11.2797 11.2830 11.6475 11.6516 k = 0.0638 0.0370 0.0468 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5377 -22.5377 -22.2828 -22.2828 -21.7446 -21.7446 -21.4543 -21.4543 -19.4063 -19.4063 -19.3181 -19.3181 -6.9803 -6.9786 -6.3716 -6.3707 -6.1607 -6.1577 -6.0641 -6.0619 -5.4254 -5.4230 -5.2634 -5.2595 -3.8617 -3.8600 -2.8457 -2.8433 -2.6747 -2.6736 -2.0516 -2.0463 -1.6920 -1.6776 -1.5824 -1.5676 -1.2531 -1.2462 -0.7479 -0.7428 -0.6038 -0.5888 -0.5438 -0.5319 0.0776 0.0853 0.1353 0.1432 7.1072 7.1075 10.0643 10.0649 11.0415 11.0441 11.2719 11.2756 11.6210 11.6249 k = 0.0532 0.0308 0.0390 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5400 -22.5400 -22.2829 -22.2829 -21.7443 -21.7443 -21.4517 -21.4517 -19.4066 -19.4066 -19.3176 -19.3176 -6.9796 -6.9782 -6.3757 -6.3748 -6.1599 -6.1575 -6.0635 -6.0620 -5.4282 -5.4263 -5.2645 -5.2613 -3.8636 -3.8622 -2.8438 -2.8419 -2.6697 -2.6688 -2.0540 -2.0496 -1.6867 -1.6746 -1.5764 -1.5637 -1.2502 -1.2444 -0.7433 -0.7387 -0.6117 -0.5999 -0.5452 -0.5362 0.0823 0.0887 0.1423 0.1488 7.0809 7.0811 10.0604 10.0609 11.0828 11.0854 11.2691 11.2732 11.5905 11.5943 k = 0.0426 0.0247 0.0312 ( 9540 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5420 -22.5420 -22.2830 -22.2830 -21.7441 -21.7441 -21.4496 -21.4496 -19.4069 -19.4069 -19.3171 -19.3171 -6.9790 -6.9779 -6.3790 -6.3783 -6.1593 -6.1574 -6.0631 -6.0620 -5.4306 -5.4291 -5.2652 -5.2627 -3.8651 -3.8640 -2.8424 -2.8408 -2.6653 -2.6646 -2.0561 -2.0526 -1.6832 -1.6736 -1.5700 -1.5597 -1.2478 -1.2430 -0.7396 -0.7357 -0.6184 -0.6093 -0.5460 -0.5394 0.0861 0.0911 0.1488 0.1538 7.0592 7.0594 10.0570 10.0574 11.1184 11.1210 11.2737 11.2782 11.5565 11.5603 k = 0.0319 0.0185 0.0234 ( 9541 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5435 -22.5435 -22.2830 -22.2830 -21.7439 -21.7439 -21.4479 -21.4479 -19.4071 -19.4071 -19.3167 -19.3167 -6.9786 -6.9777 -6.3816 -6.3810 -6.1588 -6.1573 -6.0628 -6.0620 -5.4325 -5.4314 -5.2656 -5.2638 -3.8662 -3.8654 -2.8412 -2.8401 -2.6616 -2.6611 -2.0579 -2.0552 -1.6809 -1.6738 -1.5639 -1.5562 -1.2458 -1.2421 -0.7367 -0.7336 -0.6236 -0.6169 -0.5464 -0.5417 0.0890 0.0927 0.1542 0.1579 7.0422 7.0424 10.0543 10.0546 11.1447 11.1470 11.2891 11.2938 11.5197 11.5234 k = 0.0213 0.0123 0.0156 ( 9541 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5446 -22.5446 -22.2831 -22.2831 -21.7437 -21.7437 -21.4467 -21.4467 -19.4073 -19.4073 -19.3164 -19.3164 -6.9782 -6.9776 -6.3834 -6.3830 -6.1583 -6.1574 -6.0625 -6.0621 -5.4338 -5.4331 -5.2658 -5.2646 -3.8670 -3.8664 -2.8404 -2.8396 -2.6588 -2.6584 -2.0591 -2.0573 -1.6793 -1.6746 -1.5588 -1.5537 -1.2442 -1.2417 -0.7345 -0.7324 -0.6271 -0.6227 -0.5464 -0.5435 0.0912 0.0936 0.1584 0.1609 7.0301 7.0302 10.0523 10.0525 11.1604 11.1620 11.3159 11.3204 11.4810 11.4847 k = 0.0106 0.0062 0.0078 ( 9544 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5452 -22.5452 -22.2831 -22.2831 -21.7436 -21.7436 -21.4460 -21.4460 -19.4074 -19.4074 -19.3162 -19.3162 -6.9779 -6.9776 -6.3845 -6.3843 -6.1580 -6.1575 -6.0623 -6.0621 -5.4345 -5.4341 -5.2658 -5.2652 -3.8673 -3.8671 -2.8398 -2.8395 -2.6570 -2.6569 -2.0597 -2.0588 -1.6780 -1.6757 -1.5551 -1.5526 -1.2430 -1.2417 -0.7330 -0.7319 -0.6288 -0.6267 -0.5462 -0.5447 0.0927 0.0939 0.1613 0.1625 7.0228 7.0228 10.0511 10.0512 11.1679 11.1687 11.3496 11.3535 11.4425 11.4460 k = 0.0000 0.0000 0.0000 ( 9539 PWs) bands (ev): -95.3862 -95.3862 -95.3315 -95.3315 -22.5454 -22.5454 -22.2831 -22.2831 -21.7436 -21.7436 -21.4458 -21.4458 -19.4074 -19.4074 -19.3162 -19.3162 -6.9777 -6.9777 -6.3848 -6.3848 -6.1577 -6.1577 -6.0622 -6.0622 -5.4346 -5.4346 -5.2655 -5.2655 -3.8674 -3.8674 -2.8395 -2.8395 -2.6564 -2.6564 -2.0596 -2.0596 -1.6769 -1.6769 -1.5530 -1.5530 -1.2422 -1.2422 -0.7321 -0.7321 -0.6287 -0.6287 -0.5456 -0.5456 0.0936 0.0936 0.1626 0.1626 7.0204 7.0204 10.0507 10.0507 11.1703 11.1703 11.3752 11.3752 11.4193 11.4193 Writing output data file RbBe2F5.save init_run : 3.23s CPU 10.08s WALL ( 1 calls) electrons : 1072.71s CPU 1085.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 2.06s WALL ( 1 calls) Called by electrons: c_bands : 1072.69s CPU 1085.57s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.05s WALL ( 1 calls) v_xc : 0.15s CPU 0.65s WALL ( 1 calls) newd : 0.59s CPU 0.91s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.15s WALL ( 292 calls) cegterg : 1006.59s CPU 1015.51s WALL ( 584 calls) Called by sum_band: Called by *egterg: h_psi : 558.56s CPU 567.48s WALL ( 9214 calls) s_psi : 31.87s CPU 33.43s WALL ( 9214 calls) g_psi : 1.49s CPU 1.47s WALL ( 8338 calls) cdiaghg : 271.96s CPU 270.52s WALL ( 8630 calls) cegterg:over : 91.34s CPU 89.82s WALL ( 8338 calls) cegterg:upda : 31.65s CPU 34.11s WALL ( 8338 calls) cegterg:last : 27.32s CPU 27.98s WALL ( 1718 calls) Called by h_psi: h_psi:vloc : 481.46s CPU 487.56s WALL ( 9214 calls) h_psi:vnl : 76.20s CPU 78.40s WALL ( 9214 calls) add_vuspsi : 24.48s CPU 28.01s WALL ( 9214 calls) General routines calbec : 51.68s CPU 50.32s WALL ( 9214 calls) fft : 0.36s CPU 1.32s WALL ( 19 calls) ffts : 0.00s CPU 0.32s WALL ( 4 calls) fftw : 430.41s CPU 435.10s WALL ( 1226188 calls) interpolate : 0.06s CPU 0.38s WALL ( 4 calls) davcio : 0.03s CPU 2.50s WALL ( 584 calls) Parallel routines fft_scatter : 261.03s CPU 256.56s WALL ( 1226211 calls) PWSCF : 19m19.34s CPU 22m 5.87s WALL This run was terminated on: 18:44: 2 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=