Program PWSCF v.5.1.1 starts on 12Oct2015 at 8:21:54 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: ./BeSO4.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 113 42 11 4242 958 143 Max 114 43 12 4245 983 147 Sum 5425 2023 573 203697 46281 6967 bravais-lattice index = 14 lattice parameter (alat) = 8.8601 a.u. unit-cell volume = 469.3624 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 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)= 8.860085 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.541452 celldm(5)= -0.541452 celldm(6)= 0.082904 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.082904 0.996558 0.000000 ) a(3) = ( -0.541452 -0.498279 0.677162 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.083191 0.738376 ) b(2) = ( 0.000000 1.003454 0.738376 ) b(3) = ( 0.000000 0.000000 1.476752 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) O 6.00 15.99940 O( 1.00) Be 4.00 9.01220 Be( 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= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0000000 0.0147675), wk = 0.0027322 k( 3) = ( 0.0000000 0.0000000 0.0295350), wk = 0.0027322 k( 4) = ( 0.0000000 0.0000000 0.0443026), wk = 0.0027322 k( 5) = ( 0.0000000 0.0000000 0.0590701), wk = 0.0027322 k( 6) = ( 0.0000000 0.0000000 0.0738376), wk = 0.0027322 k( 7) = ( 0.0000000 0.0000000 0.0886051), wk = 0.0027322 k( 8) = ( 0.0000000 0.0000000 0.1033727), wk = 0.0027322 k( 9) = ( 0.0000000 0.0000000 0.1181402), wk = 0.0027322 k( 10) = ( 0.0000000 0.0000000 0.1329077), wk = 0.0027322 k( 11) = ( 0.0000000 0.0000000 0.1476752), wk = 0.0027322 k( 12) = ( 0.0000000 0.0000000 0.1624428), wk = 0.0027322 k( 13) = ( 0.0000000 0.0000000 0.1772103), wk = 0.0027322 k( 14) = ( 0.0000000 0.0000000 0.1919778), wk = 0.0027322 k( 15) = ( 0.0000000 0.0000000 0.2067453), wk = 0.0027322 k( 16) = ( 0.0000000 0.0000000 0.2215129), wk = 0.0027322 k( 17) = ( 0.0000000 0.0000000 0.2362804), wk = 0.0027322 k( 18) = ( 0.0000000 0.0000000 0.2510479), wk = 0.0027322 k( 19) = ( 0.0000000 0.0000000 0.2658154), wk = 0.0027322 k( 20) = ( 0.0000000 0.0000000 0.2805830), wk = 0.0027322 k( 21) = ( 0.0000000 0.0000000 0.2953505), wk = 0.0027322 k( 22) = ( 0.0000000 0.0000000 0.3101180), wk = 0.0027322 k( 23) = ( 0.0000000 0.0000000 0.3248855), wk = 0.0027322 k( 24) = ( 0.0000000 0.0000000 0.3396531), wk = 0.0027322 k( 25) = ( 0.0000000 0.0000000 0.3544206), wk = 0.0027322 k( 26) = ( 0.0000000 0.0000000 0.3691881), wk = 0.0027322 k( 27) = ( 0.0000000 0.0000000 0.3839556), wk = 0.0027322 k( 28) = ( 0.0000000 0.0000000 0.3987232), wk = 0.0027322 k( 29) = ( 0.0000000 0.0000000 0.4134907), wk = 0.0027322 k( 30) = ( 0.0000000 0.0000000 0.4282582), wk = 0.0027322 k( 31) = ( 0.0000000 0.0000000 0.4430257), wk = 0.0027322 k( 32) = ( 0.0000000 0.0000000 0.4577933), wk = 0.0027322 k( 33) = ( 0.0000000 0.0000000 0.4725608), wk = 0.0027322 k( 34) = ( 0.0000000 0.0000000 0.4873283), wk = 0.0027322 k( 35) = ( 0.0000000 0.0000000 0.5020958), wk = 0.0027322 k( 36) = ( 0.0000000 0.0000000 0.5168633), wk = 0.0027322 k( 37) = ( 0.0000000 0.0000000 0.5316309), wk = 0.0027322 k( 38) = ( 0.0000000 0.0000000 0.5463984), wk = 0.0027322 k( 39) = ( 0.0000000 0.0000000 0.5611659), wk = 0.0027322 k( 40) = ( 0.0000000 0.0000000 0.5759334), wk = 0.0027322 k( 41) = ( 0.0000000 0.0000000 0.5907010), wk = 0.0027322 k( 42) = ( 0.0000000 0.0000000 0.6054685), wk = 0.0027322 k( 43) = ( 0.0000000 0.0000000 0.6202360), wk = 0.0027322 k( 44) = ( 0.0000000 0.0000000 0.6350035), wk = 0.0027322 k( 45) = ( 0.0000000 0.0000000 0.6497711), wk = 0.0027322 k( 46) = ( 0.0000000 0.0000000 0.6645386), wk = 0.0027322 k( 47) = ( 0.0000000 0.0000000 0.6793061), wk = 0.0027322 k( 48) = ( 0.0000000 0.0000000 0.6940736), wk = 0.0027322 k( 49) = ( 0.0000000 0.0000000 0.7088412), wk = 0.0027322 k( 50) = ( 0.0000000 0.0000000 0.7236087), wk = 0.0027322 k( 51) = ( 0.0000000 0.0000000 0.7383762), wk = 0.0027322 k( 52) = ( 0.0000000 0.0000000 0.7383762), wk = 0.0027322 k( 53) = ( -0.0100820 0.0109555 0.7383762), wk = 0.0027322 k( 54) = ( -0.0201639 0.0219110 0.7383762), wk = 0.0027322 k( 55) = ( -0.0302459 0.0328666 0.7383762), wk = 0.0027322 k( 56) = ( -0.0403279 0.0438221 0.7383762), wk = 0.0027322 k( 57) = ( -0.0504098 0.0547776 0.7383762), wk = 0.0027322 k( 58) = ( -0.0604918 0.0657331 0.7383762), wk = 0.0027322 k( 59) = ( -0.0705738 0.0766886 0.7383762), wk = 0.0027322 k( 60) = ( -0.0806557 0.0876441 0.7383762), wk = 0.0027322 k( 61) = ( -0.0907377 0.0985997 0.7383762), wk = 0.0027322 k( 62) = ( -0.1008197 0.1095552 0.7383762), wk = 0.0027322 k( 63) = ( -0.1109016 0.1205107 0.7383762), wk = 0.0027322 k( 64) = ( -0.1209836 0.1314662 0.7383762), wk = 0.0027322 k( 65) = ( -0.1310656 0.1424217 0.7383762), wk = 0.0027322 k( 66) = ( -0.1411475 0.1533773 0.7383762), wk = 0.0027322 k( 67) = ( -0.1512295 0.1643328 0.7383762), wk = 0.0027322 k( 68) = ( -0.1613114 0.1752883 0.7383762), wk = 0.0027322 k( 69) = ( -0.1713934 0.1862438 0.7383762), wk = 0.0027322 k( 70) = ( -0.1814754 0.1971993 0.7383762), wk = 0.0027322 k( 71) = ( -0.1915573 0.2081549 0.7383762), wk = 0.0027322 k( 72) = ( -0.2016393 0.2191104 0.7383762), wk = 0.0027322 k( 73) = ( -0.2117213 0.2300659 0.7383762), wk = 0.0027322 k( 74) = ( -0.2117213 0.2300659 0.7383762), wk = 0.0027322 k( 75) = ( -0.2185851 0.2375244 0.7282401), wk = 0.0027322 k( 76) = ( -0.2254488 0.2449829 0.7181040), wk = 0.0027322 k( 77) = ( -0.2323126 0.2524414 0.7079679), wk = 0.0027322 k( 78) = ( -0.2391764 0.2598999 0.6978318), wk = 0.0027322 k( 79) = ( -0.2460402 0.2673584 0.6876957), wk = 0.0027322 k( 80) = ( -0.2529039 0.2748169 0.6775596), wk = 0.0027322 k( 81) = ( -0.2597677 0.2822753 0.6674235), wk = 0.0027322 k( 82) = ( -0.2666315 0.2897338 0.6572874), wk = 0.0027322 k( 83) = ( -0.2734953 0.2971923 0.6471513), wk = 0.0027322 k( 84) = ( -0.2803591 0.3046508 0.6370152), wk = 0.0027322 k( 85) = ( -0.2872228 0.3121093 0.6268791), wk = 0.0027322 k( 86) = ( -0.2940866 0.3195678 0.6167430), wk = 0.0027322 k( 87) = ( -0.3009504 0.3270263 0.6066069), wk = 0.0027322 k( 88) = ( -0.3078142 0.3344848 0.5964708), wk = 0.0027322 k( 89) = ( -0.3146780 0.3419433 0.5863347), wk = 0.0027322 k( 90) = ( -0.3215417 0.3494018 0.5761986), wk = 0.0027322 k( 91) = ( -0.3284055 0.3568603 0.5660625), wk = 0.0027322 k( 92) = ( -0.3352693 0.3643188 0.5559264), wk = 0.0027322 k( 93) = ( -0.3421331 0.3717773 0.5457903), wk = 0.0027322 k( 94) = ( -0.3489969 0.3792358 0.5356542), wk = 0.0027322 k( 95) = ( -0.3558606 0.3866942 0.5255181), wk = 0.0027322 k( 96) = ( -0.3558606 0.3866942 0.5255181), wk = 0.0027322 k( 97) = ( -0.3487434 0.3789604 0.5150077), wk = 0.0027322 k( 98) = ( -0.3416262 0.3712265 0.5044973), wk = 0.0027322 k( 99) = ( -0.3345090 0.3634926 0.4939870), wk = 0.0027322 k( 100) = ( -0.3273918 0.3557587 0.4834766), wk = 0.0027322 k( 101) = ( -0.3202746 0.3480248 0.4729662), wk = 0.0027322 k( 102) = ( -0.3131574 0.3402909 0.4624559), wk = 0.0027322 k( 103) = ( -0.3060402 0.3325570 0.4519455), wk = 0.0027322 k( 104) = ( -0.2989229 0.3248232 0.4414352), wk = 0.0027322 k( 105) = ( -0.2918057 0.3170893 0.4309248), wk = 0.0027322 k( 106) = ( -0.2846885 0.3093554 0.4204144), wk = 0.0027322 k( 107) = ( -0.2775713 0.3016215 0.4099041), wk = 0.0027322 k( 108) = ( -0.2704541 0.2938876 0.3993937), wk = 0.0027322 k( 109) = ( -0.2633369 0.2861537 0.3888834), wk = 0.0027322 k( 110) = ( -0.2562197 0.2784199 0.3783730), wk = 0.0027322 k( 111) = ( -0.2491025 0.2706860 0.3678626), wk = 0.0027322 k( 112) = ( -0.2419852 0.2629521 0.3573523), wk = 0.0027322 k( 113) = ( -0.2348680 0.2552182 0.3468419), wk = 0.0027322 k( 114) = ( -0.2277508 0.2474843 0.3363316), wk = 0.0027322 k( 115) = ( -0.2206336 0.2397504 0.3258212), wk = 0.0027322 k( 116) = ( -0.2135164 0.2320165 0.3153108), wk = 0.0027322 k( 117) = ( -0.2063992 0.2242827 0.3048005), wk = 0.0027322 k( 118) = ( -0.1992820 0.2165488 0.2942901), wk = 0.0027322 k( 119) = ( -0.1921647 0.2088149 0.2837797), wk = 0.0027322 k( 120) = ( -0.1850475 0.2010810 0.2732694), wk = 0.0027322 k( 121) = ( -0.1779303 0.1933471 0.2627590), wk = 0.0027322 k( 122) = ( -0.1708131 0.1856132 0.2522487), wk = 0.0027322 k( 123) = ( -0.1636959 0.1778793 0.2417383), wk = 0.0027322 k( 124) = ( -0.1565787 0.1701455 0.2312279), wk = 0.0027322 k( 125) = ( -0.1494615 0.1624116 0.2207176), wk = 0.0027322 k( 126) = ( -0.1423443 0.1546777 0.2102072), wk = 0.0027322 k( 127) = ( -0.1352270 0.1469438 0.1996969), wk = 0.0027322 k( 128) = ( -0.1281098 0.1392099 0.1891865), wk = 0.0027322 k( 129) = ( -0.1209926 0.1314760 0.1786761), wk = 0.0027322 k( 130) = ( -0.1138754 0.1237422 0.1681658), wk = 0.0027322 k( 131) = ( -0.1067582 0.1160083 0.1576554), wk = 0.0027322 k( 132) = ( -0.0996410 0.1082744 0.1471451), wk = 0.0027322 k( 133) = ( -0.0925238 0.1005405 0.1366347), wk = 0.0027322 k( 134) = ( -0.0854065 0.0928066 0.1261243), wk = 0.0027322 k( 135) = ( -0.0782893 0.0850727 0.1156140), wk = 0.0027322 k( 136) = ( -0.0711721 0.0773389 0.1051036), wk = 0.0027322 k( 137) = ( -0.0640549 0.0696050 0.0945932), wk = 0.0027322 k( 138) = ( -0.0569377 0.0618711 0.0840829), wk = 0.0027322 k( 139) = ( -0.0498205 0.0541372 0.0735725), wk = 0.0027322 k( 140) = ( -0.0427033 0.0464033 0.0630622), wk = 0.0027322 k( 141) = ( -0.0355861 0.0386694 0.0525518), wk = 0.0027322 k( 142) = ( -0.0284689 0.0309355 0.0420414), wk = 0.0027322 k( 143) = ( -0.0213516 0.0232017 0.0315311), wk = 0.0027322 k( 144) = ( -0.0142344 0.0154678 0.0210207), wk = 0.0027322 k( 145) = ( -0.0071172 0.0077339 0.0105104), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 148) = ( 0.0108696 0.0100029 0.0000000), wk = 0.0027322 k( 149) = ( 0.0217391 0.0200057 0.0000000), wk = 0.0027322 k( 150) = ( 0.0326087 0.0300086 0.0000000), wk = 0.0027322 k( 151) = ( 0.0434783 0.0400115 0.0000000), wk = 0.0027322 k( 152) = ( 0.0543478 0.0500143 0.0000000), wk = 0.0027322 k( 153) = ( 0.0652174 0.0600172 0.0000000), wk = 0.0027322 k( 154) = ( 0.0760870 0.0700201 0.0000000), wk = 0.0027322 k( 155) = ( 0.0869565 0.0800229 0.0000000), wk = 0.0027322 k( 156) = ( 0.0978261 0.0900258 0.0000000), wk = 0.0027322 k( 157) = ( 0.1086957 0.1000287 0.0000000), wk = 0.0027322 k( 158) = ( 0.1195652 0.1100315 0.0000000), wk = 0.0027322 k( 159) = ( 0.1304348 0.1200344 0.0000000), wk = 0.0027322 k( 160) = ( 0.1413043 0.1300373 0.0000000), wk = 0.0027322 k( 161) = ( 0.1521739 0.1400401 0.0000000), wk = 0.0027322 k( 162) = ( 0.1630435 0.1500430 0.0000000), wk = 0.0027322 k( 163) = ( 0.1739130 0.1600458 0.0000000), wk = 0.0027322 k( 164) = ( 0.1847826 0.1700487 0.0000000), wk = 0.0027322 k( 165) = ( 0.1956522 0.1800516 0.0000000), wk = 0.0027322 k( 166) = ( 0.2065217 0.1900544 0.0000000), wk = 0.0027322 k( 167) = ( 0.2173913 0.2000573 0.0000000), wk = 0.0027322 k( 168) = ( 0.2282609 0.2100602 0.0000000), wk = 0.0027322 k( 169) = ( 0.2391304 0.2200630 0.0000000), wk = 0.0027322 k( 170) = ( 0.2500000 0.2300659 0.0000000), wk = 0.0027322 k( 171) = ( 0.2608696 0.2400688 0.0000000), wk = 0.0027322 k( 172) = ( 0.2717391 0.2500716 0.0000000), wk = 0.0027322 k( 173) = ( 0.2826087 0.2600745 0.0000000), wk = 0.0027322 k( 174) = ( 0.2934783 0.2700774 0.0000000), wk = 0.0027322 k( 175) = ( 0.3043478 0.2800802 0.0000000), wk = 0.0027322 k( 176) = ( 0.3152174 0.2900831 0.0000000), wk = 0.0027322 k( 177) = ( 0.3260870 0.3000860 0.0000000), wk = 0.0027322 k( 178) = ( 0.3369565 0.3100888 0.0000000), wk = 0.0027322 k( 179) = ( 0.3478261 0.3200917 0.0000000), wk = 0.0027322 k( 180) = ( 0.3586956 0.3300946 0.0000000), wk = 0.0027322 k( 181) = ( 0.3695652 0.3400974 0.0000000), wk = 0.0027322 k( 182) = ( 0.3804348 0.3501003 0.0000000), wk = 0.0027322 k( 183) = ( 0.3913044 0.3601032 0.0000000), wk = 0.0027322 k( 184) = ( 0.4021739 0.3701060 0.0000000), wk = 0.0027322 k( 185) = ( 0.4130435 0.3801089 0.0000000), wk = 0.0027322 k( 186) = ( 0.4239130 0.3901117 0.0000000), wk = 0.0027322 k( 187) = ( 0.4347826 0.4001146 0.0000000), wk = 0.0027322 k( 188) = ( 0.4456522 0.4101175 0.0000000), wk = 0.0027322 k( 189) = ( 0.4565217 0.4201203 0.0000000), wk = 0.0027322 k( 190) = ( 0.4673913 0.4301232 0.0000000), wk = 0.0027322 k( 191) = ( 0.4782609 0.4401261 0.0000000), wk = 0.0027322 k( 192) = ( 0.4891304 0.4501289 0.0000000), wk = 0.0027322 k( 193) = ( 0.5000000 0.4601318 0.0000000), wk = 0.0027322 k( 194) = ( 0.5000000 0.4601318 0.0000000), wk = 0.0027322 k( 195) = ( 0.4931362 0.4675903 0.0101361), wk = 0.0027322 k( 196) = ( 0.4862724 0.4750488 0.0202722), wk = 0.0027322 k( 197) = ( 0.4794087 0.4825073 0.0304083), wk = 0.0027322 k( 198) = ( 0.4725449 0.4899658 0.0405444), wk = 0.0027322 k( 199) = ( 0.4656811 0.4974243 0.0506805), wk = 0.0027322 k( 200) = ( 0.4588173 0.5048828 0.0608166), wk = 0.0027322 k( 201) = ( 0.4519535 0.5123412 0.0709527), wk = 0.0027322 k( 202) = ( 0.4450898 0.5197997 0.0810888), wk = 0.0027322 k( 203) = ( 0.4382260 0.5272582 0.0912249), wk = 0.0027322 k( 204) = ( 0.4313622 0.5347167 0.1013610), wk = 0.0027322 k( 205) = ( 0.4244984 0.5421752 0.1114971), wk = 0.0027322 k( 206) = ( 0.4176346 0.5496337 0.1216332), wk = 0.0027322 k( 207) = ( 0.4107709 0.5570922 0.1317693), wk = 0.0027322 k( 208) = ( 0.4039071 0.5645507 0.1419054), wk = 0.0027322 k( 209) = ( 0.3970433 0.5720092 0.1520415), wk = 0.0027322 k( 210) = ( 0.3901795 0.5794677 0.1621776), wk = 0.0027322 k( 211) = ( 0.3833158 0.5869262 0.1723137), wk = 0.0027322 k( 212) = ( 0.3764520 0.5943847 0.1824498), wk = 0.0027322 k( 213) = ( 0.3695882 0.6018432 0.1925859), wk = 0.0027322 k( 214) = ( 0.3627244 0.6093016 0.2027220), wk = 0.0027322 k( 215) = ( 0.3558606 0.6167601 0.2128581), wk = 0.0027322 k( 216) = ( 0.3558606 0.6167601 0.2128581), wk = 0.0027322 k( 217) = ( 0.3431513 0.6126518 0.2184414), wk = 0.0027322 k( 218) = ( 0.3304420 0.6085435 0.2240246), wk = 0.0027322 k( 219) = ( 0.3177327 0.6044352 0.2296078), wk = 0.0027322 k( 220) = ( 0.3050234 0.6003269 0.2351910), wk = 0.0027322 k( 221) = ( 0.2923141 0.5962185 0.2407742), wk = 0.0027322 k( 222) = ( 0.2796048 0.5921102 0.2463574), wk = 0.0027322 k( 223) = ( 0.2668955 0.5880019 0.2519406), wk = 0.0027322 k( 224) = ( 0.2541862 0.5838936 0.2575239), wk = 0.0027322 k( 225) = ( 0.2414769 0.5797853 0.2631071), wk = 0.0027322 k( 226) = ( 0.2287675 0.5756769 0.2686903), wk = 0.0027322 k( 227) = ( 0.2160582 0.5715686 0.2742735), wk = 0.0027322 k( 228) = ( 0.2033489 0.5674603 0.2798567), wk = 0.0027322 k( 229) = ( 0.1906396 0.5633520 0.2854399), wk = 0.0027322 k( 230) = ( 0.1779303 0.5592437 0.2910231), wk = 0.0027322 k( 231) = ( 0.1652210 0.5551354 0.2966063), wk = 0.0027322 k( 232) = ( 0.1525117 0.5510270 0.3021896), wk = 0.0027322 k( 233) = ( 0.1398024 0.5469187 0.3077728), wk = 0.0027322 k( 234) = ( 0.1270931 0.5428104 0.3133560), wk = 0.0027322 k( 235) = ( 0.1143838 0.5387021 0.3189392), wk = 0.0027322 k( 236) = ( 0.1016745 0.5345937 0.3245224), wk = 0.0027322 k( 237) = ( 0.0889652 0.5304854 0.3301056), wk = 0.0027322 k( 238) = ( 0.0762559 0.5263771 0.3356888), wk = 0.0027322 k( 239) = ( 0.0635465 0.5222688 0.3412720), wk = 0.0027322 k( 240) = ( 0.0508372 0.5181605 0.3468553), wk = 0.0027322 k( 241) = ( 0.0381279 0.5140521 0.3524385), wk = 0.0027322 k( 242) = ( 0.0254186 0.5099438 0.3580217), wk = 0.0027322 k( 243) = ( 0.0127093 0.5058355 0.3636049), wk = 0.0027322 k( 244) = ( 0.0000000 0.5017272 0.3691881), wk = 0.0027322 k( 245) = ( 0.0000000 0.5017272 0.3691881), wk = 0.0027322 k( 246) = ( 0.0071429 0.4939654 0.3797363), wk = 0.0027322 k( 247) = ( 0.0142857 0.4862037 0.3902846), wk = 0.0027322 k( 248) = ( 0.0214286 0.4784419 0.4008328), wk = 0.0027322 k( 249) = ( 0.0285714 0.4706802 0.4113810), wk = 0.0027322 k( 250) = ( 0.0357143 0.4629184 0.4219293), wk = 0.0027322 k( 251) = ( 0.0428571 0.4551567 0.4324775), wk = 0.0027322 k( 252) = ( 0.0500000 0.4473949 0.4430257), wk = 0.0027322 k( 253) = ( 0.0571429 0.4396332 0.4535740), wk = 0.0027322 k( 254) = ( 0.0642857 0.4318714 0.4641222), wk = 0.0027322 k( 255) = ( 0.0714286 0.4241097 0.4746704), wk = 0.0027322 k( 256) = ( 0.0785714 0.4163479 0.4852187), wk = 0.0027322 k( 257) = ( 0.0857143 0.4085862 0.4957669), wk = 0.0027322 k( 258) = ( 0.0928571 0.4008244 0.5063151), wk = 0.0027322 k( 259) = ( 0.1000000 0.3930627 0.5168633), wk = 0.0027322 k( 260) = ( 0.1071429 0.3853009 0.5274116), wk = 0.0027322 k( 261) = ( 0.1142857 0.3775392 0.5379598), wk = 0.0027322 k( 262) = ( 0.1214286 0.3697774 0.5485080), wk = 0.0027322 k( 263) = ( 0.1285714 0.3620157 0.5590563), wk = 0.0027322 k( 264) = ( 0.1357143 0.3542539 0.5696045), wk = 0.0027322 k( 265) = ( 0.1428571 0.3464922 0.5801527), wk = 0.0027322 k( 266) = ( 0.1500000 0.3387304 0.5907010), wk = 0.0027322 k( 267) = ( 0.1571429 0.3309687 0.6012492), wk = 0.0027322 k( 268) = ( 0.1642857 0.3232069 0.6117974), wk = 0.0027322 k( 269) = ( 0.1714286 0.3154452 0.6223457), wk = 0.0027322 k( 270) = ( 0.1785714 0.3076834 0.6328939), wk = 0.0027322 k( 271) = ( 0.1857143 0.2999217 0.6434421), wk = 0.0027322 k( 272) = ( 0.1928571 0.2921599 0.6539904), wk = 0.0027322 k( 273) = ( 0.2000000 0.2843982 0.6645386), wk = 0.0027322 k( 274) = ( 0.2071429 0.2766364 0.6750868), wk = 0.0027322 k( 275) = ( 0.2142857 0.2688747 0.6856350), wk = 0.0027322 k( 276) = ( 0.2214286 0.2611129 0.6961833), wk = 0.0027322 k( 277) = ( 0.2285714 0.2533512 0.7067315), wk = 0.0027322 k( 278) = ( 0.2357143 0.2455894 0.7172798), wk = 0.0027322 k( 279) = ( 0.2428571 0.2378277 0.7278280), wk = 0.0027322 k( 280) = ( 0.2500000 0.2300659 0.7383762), wk = 0.0027322 k( 281) = ( 0.2500000 0.2300659 0.7383762), wk = 0.0027322 k( 282) = ( 0.2580645 0.2374874 0.7282904), wk = 0.0027322 k( 283) = ( 0.2661290 0.2449089 0.7182046), wk = 0.0027322 k( 284) = ( 0.2741936 0.2523303 0.7081188), wk = 0.0027322 k( 285) = ( 0.2822581 0.2597518 0.6980330), wk = 0.0027322 k( 286) = ( 0.2903226 0.2671733 0.6879472), wk = 0.0027322 k( 287) = ( 0.2983871 0.2745948 0.6778614), wk = 0.0027322 k( 288) = ( 0.3064516 0.2820163 0.6677756), wk = 0.0027322 k( 289) = ( 0.3145161 0.2894377 0.6576898), wk = 0.0027322 k( 290) = ( 0.3225807 0.2968592 0.6476040), wk = 0.0027322 k( 291) = ( 0.3306452 0.3042807 0.6375182), wk = 0.0027322 k( 292) = ( 0.3387097 0.3117022 0.6274324), wk = 0.0027322 k( 293) = ( 0.3467742 0.3191237 0.6173466), wk = 0.0027322 k( 294) = ( 0.3548387 0.3265452 0.6072608), wk = 0.0027322 k( 295) = ( 0.3629032 0.3339666 0.5971750), wk = 0.0027322 k( 296) = ( 0.3709677 0.3413881 0.5870892), wk = 0.0027322 k( 297) = ( 0.3790323 0.3488096 0.5770034), wk = 0.0027322 k( 298) = ( 0.3870968 0.3562311 0.5669175), wk = 0.0027322 k( 299) = ( 0.3951613 0.3636526 0.5568317), wk = 0.0027322 k( 300) = ( 0.4032258 0.3710740 0.5467459), wk = 0.0027322 k( 301) = ( 0.4112903 0.3784955 0.5366601), wk = 0.0027322 k( 302) = ( 0.4193548 0.3859170 0.5265743), wk = 0.0027322 k( 303) = ( 0.4274193 0.3933385 0.5164885), wk = 0.0027322 k( 304) = ( 0.4354839 0.4007600 0.5064027), wk = 0.0027322 k( 305) = ( 0.4435484 0.4081814 0.4963169), wk = 0.0027322 k( 306) = ( 0.4516129 0.4156029 0.4862311), wk = 0.0027322 k( 307) = ( 0.4596774 0.4230244 0.4761453), wk = 0.0027322 k( 308) = ( 0.4677419 0.4304459 0.4660595), wk = 0.0027322 k( 309) = ( 0.4758064 0.4378674 0.4559737), wk = 0.0027322 k( 310) = ( 0.4838710 0.4452888 0.4458879), wk = 0.0027322 k( 311) = ( 0.4919355 0.4527103 0.4358021), wk = 0.0027322 k( 312) = ( 0.5000000 0.4601318 0.4257163), wk = 0.0027322 k( 313) = ( 0.5000000 0.4601318 0.4257163), wk = 0.0027322 k( 314) = ( 0.5000000 0.4601318 0.4110364), wk = 0.0027322 k( 315) = ( 0.5000000 0.4601318 0.3963566), wk = 0.0027322 k( 316) = ( 0.5000000 0.4601318 0.3816767), wk = 0.0027322 k( 317) = ( 0.5000000 0.4601318 0.3669968), wk = 0.0027322 k( 318) = ( 0.5000000 0.4601318 0.3523169), wk = 0.0027322 k( 319) = ( 0.5000000 0.4601318 0.3376371), wk = 0.0027322 k( 320) = ( 0.5000000 0.4601318 0.3229572), wk = 0.0027322 k( 321) = ( 0.5000000 0.4601318 0.3082773), wk = 0.0027322 k( 322) = ( 0.5000000 0.4601318 0.2935974), wk = 0.0027322 k( 323) = ( 0.5000000 0.4601318 0.2789176), wk = 0.0027322 k( 324) = ( 0.5000000 0.4601318 0.2642377), wk = 0.0027322 k( 325) = ( 0.5000000 0.4601318 0.2495578), wk = 0.0027322 k( 326) = ( 0.5000000 0.4601318 0.2348780), wk = 0.0027322 k( 327) = ( 0.5000000 0.4601318 0.2201981), wk = 0.0027322 k( 328) = ( 0.5000000 0.4601318 0.2055182), wk = 0.0027322 k( 329) = ( 0.5000000 0.4601318 0.1908383), wk = 0.0027322 k( 330) = ( 0.5000000 0.4601318 0.1761585), wk = 0.0027322 k( 331) = ( 0.5000000 0.4601318 0.1614786), wk = 0.0027322 k( 332) = ( 0.5000000 0.4601318 0.1467987), wk = 0.0027322 k( 333) = ( 0.5000000 0.4601318 0.1321189), wk = 0.0027322 k( 334) = ( 0.5000000 0.4601318 0.1174390), wk = 0.0027322 k( 335) = ( 0.5000000 0.4601318 0.1027591), wk = 0.0027322 k( 336) = ( 0.5000000 0.4601318 0.0880792), wk = 0.0027322 k( 337) = ( 0.5000000 0.4601318 0.0733994), wk = 0.0027322 k( 338) = ( 0.5000000 0.4601318 0.0587195), wk = 0.0027322 k( 339) = ( 0.5000000 0.4601318 0.0440396), wk = 0.0027322 k( 340) = ( 0.5000000 0.4601318 0.0293597), wk = 0.0027322 k( 341) = ( 0.5000000 0.4601318 0.0146799), wk = 0.0027322 k( 342) = ( 0.5000000 0.4601318 0.0000000), wk = 0.0027322 k( 343) = ( 0.0000000 0.0000000 0.7383762), wk = 0.0027322 k( 344) = ( 0.0108696 0.0100029 0.7383762), wk = 0.0027322 k( 345) = ( 0.0217391 0.0200057 0.7383762), wk = 0.0027322 k( 346) = ( 0.0326087 0.0300086 0.7383762), wk = 0.0027322 k( 347) = ( 0.0434783 0.0400115 0.7383762), wk = 0.0027322 k( 348) = ( 0.0543478 0.0500143 0.7383762), wk = 0.0027322 k( 349) = ( 0.0652174 0.0600172 0.7383762), wk = 0.0027322 k( 350) = ( 0.0760870 0.0700201 0.7383762), wk = 0.0027322 k( 351) = ( 0.0869565 0.0800229 0.7383762), wk = 0.0027322 k( 352) = ( 0.0978261 0.0900258 0.7383762), wk = 0.0027322 k( 353) = ( 0.1086957 0.1000287 0.7383762), wk = 0.0027322 k( 354) = ( 0.1195652 0.1100315 0.7383762), wk = 0.0027322 k( 355) = ( 0.1304348 0.1200344 0.7383762), wk = 0.0027322 k( 356) = ( 0.1413043 0.1300373 0.7383762), wk = 0.0027322 k( 357) = ( 0.1521739 0.1400401 0.7383762), wk = 0.0027322 k( 358) = ( 0.1630435 0.1500430 0.7383762), wk = 0.0027322 k( 359) = ( 0.1739130 0.1600458 0.7383762), wk = 0.0027322 k( 360) = ( 0.1847826 0.1700487 0.7383762), wk = 0.0027322 k( 361) = ( 0.1956522 0.1800516 0.7383762), wk = 0.0027322 k( 362) = ( 0.2065217 0.1900544 0.7383762), wk = 0.0027322 k( 363) = ( 0.2173913 0.2000573 0.7383762), wk = 0.0027322 k( 364) = ( 0.2282609 0.2100602 0.7383762), wk = 0.0027322 k( 365) = ( 0.2391304 0.2200630 0.7383762), wk = 0.0027322 k( 366) = ( 0.2500000 0.2300659 0.7383762), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027322 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0027322 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0027322 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027322 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0027322 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027322 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0027322 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027322 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0027322 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027322 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0027322 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0027322 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027322 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0027322 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027322 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027322 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027322 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0027322 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027322 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0027322 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0027322 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027322 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0027322 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027322 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0027322 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027322 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0027322 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027322 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0027322 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0027322 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027322 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0027322 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027322 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0027322 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027322 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0027322 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027322 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0027322 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 53) = ( -0.0100820 0.0100820 0.5000000), wk = 0.0027322 k( 54) = ( -0.0201639 0.0201639 0.5000000), wk = 0.0027322 k( 55) = ( -0.0302459 0.0302459 0.5000000), wk = 0.0027322 k( 56) = ( -0.0403279 0.0403279 0.5000000), wk = 0.0027322 k( 57) = ( -0.0504098 0.0504098 0.5000000), wk = 0.0027322 k( 58) = ( -0.0604918 0.0604918 0.5000000), wk = 0.0027322 k( 59) = ( -0.0705738 0.0705738 0.5000000), wk = 0.0027322 k( 60) = ( -0.0806557 0.0806557 0.5000000), wk = 0.0027322 k( 61) = ( -0.0907377 0.0907377 0.5000000), wk = 0.0027322 k( 62) = ( -0.1008197 0.1008197 0.5000000), wk = 0.0027322 k( 63) = ( -0.1109016 0.1109016 0.5000000), wk = 0.0027322 k( 64) = ( -0.1209836 0.1209836 0.5000000), wk = 0.0027322 k( 65) = ( -0.1310656 0.1310656 0.5000000), wk = 0.0027322 k( 66) = ( -0.1411475 0.1411475 0.5000000), wk = 0.0027322 k( 67) = ( -0.1512295 0.1512295 0.5000000), wk = 0.0027322 k( 68) = ( -0.1613114 0.1613114 0.5000000), wk = 0.0027322 k( 69) = ( -0.1713934 0.1713934 0.5000000), wk = 0.0027322 k( 70) = ( -0.1814754 0.1814754 0.5000000), wk = 0.0027322 k( 71) = ( -0.1915573 0.1915573 0.5000000), wk = 0.0027322 k( 72) = ( -0.2016393 0.2016393 0.5000000), wk = 0.0027322 k( 73) = ( -0.2117213 0.2117213 0.5000000), wk = 0.0027322 k( 74) = ( -0.2117213 0.2117213 0.5000000), wk = 0.0027322 k( 75) = ( -0.2185851 0.2185851 0.4931362), wk = 0.0027322 k( 76) = ( -0.2254488 0.2254488 0.4862724), wk = 0.0027322 k( 77) = ( -0.2323126 0.2323126 0.4794087), wk = 0.0027322 k( 78) = ( -0.2391764 0.2391764 0.4725449), wk = 0.0027322 k( 79) = ( -0.2460402 0.2460402 0.4656811), wk = 0.0027322 k( 80) = ( -0.2529039 0.2529040 0.4588173), wk = 0.0027322 k( 81) = ( -0.2597677 0.2597677 0.4519535), wk = 0.0027322 k( 82) = ( -0.2666315 0.2666315 0.4450898), wk = 0.0027322 k( 83) = ( -0.2734953 0.2734953 0.4382260), wk = 0.0027322 k( 84) = ( -0.2803591 0.2803591 0.4313622), wk = 0.0027322 k( 85) = ( -0.2872228 0.2872228 0.4244984), wk = 0.0027322 k( 86) = ( -0.2940866 0.2940866 0.4176346), wk = 0.0027322 k( 87) = ( -0.3009504 0.3009504 0.4107709), wk = 0.0027322 k( 88) = ( -0.3078142 0.3078142 0.4039071), wk = 0.0027322 k( 89) = ( -0.3146780 0.3146780 0.3970433), wk = 0.0027322 k( 90) = ( -0.3215417 0.3215417 0.3901795), wk = 0.0027322 k( 91) = ( -0.3284055 0.3284055 0.3833157), wk = 0.0027322 k( 92) = ( -0.3352693 0.3352693 0.3764520), wk = 0.0027322 k( 93) = ( -0.3421331 0.3421331 0.3695882), wk = 0.0027322 k( 94) = ( -0.3489969 0.3489969 0.3627244), wk = 0.0027322 k( 95) = ( -0.3558606 0.3558606 0.3558606), wk = 0.0027322 k( 96) = ( -0.3558606 0.3558606 0.3558606), wk = 0.0027322 k( 97) = ( -0.3487434 0.3487434 0.3487434), wk = 0.0027322 k( 98) = ( -0.3416262 0.3416262 0.3416262), wk = 0.0027322 k( 99) = ( -0.3345090 0.3345090 0.3345090), wk = 0.0027322 k( 100) = ( -0.3273918 0.3273918 0.3273918), wk = 0.0027322 k( 101) = ( -0.3202746 0.3202746 0.3202746), wk = 0.0027322 k( 102) = ( -0.3131574 0.3131574 0.3131574), wk = 0.0027322 k( 103) = ( -0.3060402 0.3060402 0.3060402), wk = 0.0027322 k( 104) = ( -0.2989229 0.2989229 0.2989229), wk = 0.0027322 k( 105) = ( -0.2918057 0.2918057 0.2918057), wk = 0.0027322 k( 106) = ( -0.2846885 0.2846885 0.2846885), wk = 0.0027322 k( 107) = ( -0.2775713 0.2775713 0.2775713), wk = 0.0027322 k( 108) = ( -0.2704541 0.2704541 0.2704541), wk = 0.0027322 k( 109) = ( -0.2633369 0.2633369 0.2633369), wk = 0.0027322 k( 110) = ( -0.2562197 0.2562197 0.2562197), wk = 0.0027322 k( 111) = ( -0.2491025 0.2491025 0.2491025), wk = 0.0027322 k( 112) = ( -0.2419852 0.2419852 0.2419852), wk = 0.0027322 k( 113) = ( -0.2348680 0.2348680 0.2348680), wk = 0.0027322 k( 114) = ( -0.2277508 0.2277508 0.2277508), wk = 0.0027322 k( 115) = ( -0.2206336 0.2206336 0.2206336), wk = 0.0027322 k( 116) = ( -0.2135164 0.2135164 0.2135164), wk = 0.0027322 k( 117) = ( -0.2063992 0.2063992 0.2063992), wk = 0.0027322 k( 118) = ( -0.1992820 0.1992820 0.1992820), wk = 0.0027322 k( 119) = ( -0.1921647 0.1921647 0.1921647), wk = 0.0027322 k( 120) = ( -0.1850475 0.1850475 0.1850475), wk = 0.0027322 k( 121) = ( -0.1779303 0.1779303 0.1779303), wk = 0.0027322 k( 122) = ( -0.1708131 0.1708131 0.1708131), wk = 0.0027322 k( 123) = ( -0.1636959 0.1636959 0.1636959), wk = 0.0027322 k( 124) = ( -0.1565787 0.1565787 0.1565787), wk = 0.0027322 k( 125) = ( -0.1494615 0.1494615 0.1494615), wk = 0.0027322 k( 126) = ( -0.1423443 0.1423443 0.1423443), wk = 0.0027322 k( 127) = ( -0.1352270 0.1352270 0.1352270), wk = 0.0027322 k( 128) = ( -0.1281098 0.1281098 0.1281098), wk = 0.0027322 k( 129) = ( -0.1209926 0.1209926 0.1209926), wk = 0.0027322 k( 130) = ( -0.1138754 0.1138754 0.1138754), wk = 0.0027322 k( 131) = ( -0.1067582 0.1067582 0.1067582), wk = 0.0027322 k( 132) = ( -0.0996410 0.0996410 0.0996410), wk = 0.0027322 k( 133) = ( -0.0925238 0.0925238 0.0925238), wk = 0.0027322 k( 134) = ( -0.0854065 0.0854065 0.0854065), wk = 0.0027322 k( 135) = ( -0.0782893 0.0782893 0.0782893), wk = 0.0027322 k( 136) = ( -0.0711721 0.0711721 0.0711721), wk = 0.0027322 k( 137) = ( -0.0640549 0.0640549 0.0640549), wk = 0.0027322 k( 138) = ( -0.0569377 0.0569377 0.0569377), wk = 0.0027322 k( 139) = ( -0.0498205 0.0498205 0.0498205), wk = 0.0027322 k( 140) = ( -0.0427033 0.0427033 0.0427033), wk = 0.0027322 k( 141) = ( -0.0355861 0.0355861 0.0355861), wk = 0.0027322 k( 142) = ( -0.0284689 0.0284689 0.0284689), wk = 0.0027322 k( 143) = ( -0.0213516 0.0213516 0.0213516), wk = 0.0027322 k( 144) = ( -0.0142344 0.0142344 0.0142344), wk = 0.0027322 k( 145) = ( -0.0071172 0.0071172 0.0071172), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 148) = ( 0.0108696 0.0108696 -0.0108696), wk = 0.0027322 k( 149) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0027322 k( 150) = ( 0.0326087 0.0326087 -0.0326087), wk = 0.0027322 k( 151) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0027322 k( 152) = ( 0.0543478 0.0543478 -0.0543478), wk = 0.0027322 k( 153) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0027322 k( 154) = ( 0.0760870 0.0760870 -0.0760870), wk = 0.0027322 k( 155) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0027322 k( 156) = ( 0.0978261 0.0978261 -0.0978261), wk = 0.0027322 k( 157) = ( 0.1086957 0.1086957 -0.1086957), wk = 0.0027322 k( 158) = ( 0.1195652 0.1195652 -0.1195652), wk = 0.0027322 k( 159) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0027322 k( 160) = ( 0.1413043 0.1413043 -0.1413044), wk = 0.0027322 k( 161) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0027322 k( 162) = ( 0.1630435 0.1630435 -0.1630435), wk = 0.0027322 k( 163) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0027322 k( 164) = ( 0.1847826 0.1847826 -0.1847826), wk = 0.0027322 k( 165) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0027322 k( 166) = ( 0.2065217 0.2065217 -0.2065217), wk = 0.0027322 k( 167) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0027322 k( 168) = ( 0.2282609 0.2282609 -0.2282609), wk = 0.0027322 k( 169) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0027322 k( 170) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027322 k( 171) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0027322 k( 172) = ( 0.2717391 0.2717391 -0.2717391), wk = 0.0027322 k( 173) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0027322 k( 174) = ( 0.2934783 0.2934783 -0.2934783), wk = 0.0027322 k( 175) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0027322 k( 176) = ( 0.3152174 0.3152174 -0.3152174), wk = 0.0027322 k( 177) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0027322 k( 178) = ( 0.3369565 0.3369565 -0.3369565), wk = 0.0027322 k( 179) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0027322 k( 180) = ( 0.3586956 0.3586956 -0.3586956), wk = 0.0027322 k( 181) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0027322 k( 182) = ( 0.3804348 0.3804348 -0.3804348), wk = 0.0027322 k( 183) = ( 0.3913044 0.3913044 -0.3913044), wk = 0.0027322 k( 184) = ( 0.4021739 0.4021739 -0.4021739), wk = 0.0027322 k( 185) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0027322 k( 186) = ( 0.4239130 0.4239130 -0.4239130), wk = 0.0027322 k( 187) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0027322 k( 188) = ( 0.4456522 0.4456522 -0.4456522), wk = 0.0027322 k( 189) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0027322 k( 190) = ( 0.4673913 0.4673913 -0.4673913), wk = 0.0027322 k( 191) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0027322 k( 192) = ( 0.4891304 0.4891304 -0.4891304), wk = 0.0027322 k( 193) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027322 k( 194) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027322 k( 195) = ( 0.4931362 0.5068638 -0.4931362), wk = 0.0027322 k( 196) = ( 0.4862724 0.5137276 -0.4862724), wk = 0.0027322 k( 197) = ( 0.4794087 0.5205913 -0.4794087), wk = 0.0027322 k( 198) = ( 0.4725449 0.5274551 -0.4725449), wk = 0.0027322 k( 199) = ( 0.4656811 0.5343189 -0.4656811), wk = 0.0027322 k( 200) = ( 0.4588173 0.5411827 -0.4588173), wk = 0.0027322 k( 201) = ( 0.4519535 0.5480464 -0.4519536), wk = 0.0027322 k( 202) = ( 0.4450898 0.5549102 -0.4450898), wk = 0.0027322 k( 203) = ( 0.4382260 0.5617740 -0.4382260), wk = 0.0027322 k( 204) = ( 0.4313622 0.5686378 -0.4313622), wk = 0.0027322 k( 205) = ( 0.4244984 0.5755016 -0.4244984), wk = 0.0027322 k( 206) = ( 0.4176346 0.5823653 -0.4176346), wk = 0.0027322 k( 207) = ( 0.4107709 0.5892291 -0.4107709), wk = 0.0027322 k( 208) = ( 0.4039071 0.5960929 -0.4039071), wk = 0.0027322 k( 209) = ( 0.3970433 0.6029567 -0.3970433), wk = 0.0027322 k( 210) = ( 0.3901795 0.6098205 -0.3901795), wk = 0.0027322 k( 211) = ( 0.3833158 0.6166842 -0.3833157), wk = 0.0027322 k( 212) = ( 0.3764520 0.6235480 -0.3764520), wk = 0.0027322 k( 213) = ( 0.3695882 0.6304118 -0.3695882), wk = 0.0027322 k( 214) = ( 0.3627244 0.6372756 -0.3627244), wk = 0.0027322 k( 215) = ( 0.3558606 0.6441394 -0.3558606), wk = 0.0027322 k( 216) = ( 0.3558606 0.6441394 -0.3558606), wk = 0.0027322 k( 217) = ( 0.3431513 0.6389915 -0.3431513), wk = 0.0027322 k( 218) = ( 0.3304420 0.6338437 -0.3304420), wk = 0.0027322 k( 219) = ( 0.3177327 0.6286959 -0.3177327), wk = 0.0027322 k( 220) = ( 0.3050234 0.6235480 -0.3050234), wk = 0.0027322 k( 221) = ( 0.2923141 0.6184002 -0.2923141), wk = 0.0027322 k( 222) = ( 0.2796048 0.6132524 -0.2796048), wk = 0.0027322 k( 223) = ( 0.2668955 0.6081045 -0.2668955), wk = 0.0027322 k( 224) = ( 0.2541862 0.6029567 -0.2541862), wk = 0.0027322 k( 225) = ( 0.2414769 0.5978088 -0.2414769), wk = 0.0027322 k( 226) = ( 0.2287675 0.5926610 -0.2287676), wk = 0.0027322 k( 227) = ( 0.2160582 0.5875132 -0.2160582), wk = 0.0027322 k( 228) = ( 0.2033489 0.5823654 -0.2033489), wk = 0.0027322 k( 229) = ( 0.1906396 0.5772175 -0.1906396), wk = 0.0027322 k( 230) = ( 0.1779303 0.5720697 -0.1779303), wk = 0.0027322 k( 231) = ( 0.1652210 0.5669218 -0.1652210), wk = 0.0027322 k( 232) = ( 0.1525117 0.5617740 -0.1525117), wk = 0.0027322 k( 233) = ( 0.1398024 0.5566262 -0.1398024), wk = 0.0027322 k( 234) = ( 0.1270931 0.5514783 -0.1270931), wk = 0.0027322 k( 235) = ( 0.1143838 0.5463305 -0.1143838), wk = 0.0027322 k( 236) = ( 0.1016745 0.5411827 -0.1016745), wk = 0.0027322 k( 237) = ( 0.0889652 0.5360348 -0.0889652), wk = 0.0027322 k( 238) = ( 0.0762559 0.5308870 -0.0762559), wk = 0.0027322 k( 239) = ( 0.0635465 0.5257392 -0.0635465), wk = 0.0027322 k( 240) = ( 0.0508372 0.5205913 -0.0508372), wk = 0.0027322 k( 241) = ( 0.0381279 0.5154435 -0.0381279), wk = 0.0027322 k( 242) = ( 0.0254186 0.5102957 -0.0254186), wk = 0.0027322 k( 243) = ( 0.0127093 0.5051478 -0.0127093), wk = 0.0027322 k( 244) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 245) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 246) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0027322 k( 247) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0027322 k( 248) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0027322 k( 249) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0027322 k( 250) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0027322 k( 251) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0027322 k( 252) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0027322 k( 253) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0027322 k( 254) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0027322 k( 255) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0027322 k( 256) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0027322 k( 257) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0027322 k( 258) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0027322 k( 259) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0027322 k( 260) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0027322 k( 261) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0027322 k( 262) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0027322 k( 263) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0027322 k( 264) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0027322 k( 265) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0027322 k( 266) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0027322 k( 267) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0027322 k( 268) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0027322 k( 269) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0027322 k( 270) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0027322 k( 271) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0027322 k( 272) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0027322 k( 273) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0027322 k( 274) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0027322 k( 275) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0027322 k( 276) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0027322 k( 277) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0027322 k( 278) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0027322 k( 279) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0027322 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 281) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 282) = ( 0.2580645 0.2580645 0.2351058), wk = 0.0027322 k( 283) = ( 0.2661290 0.2661290 0.2202115), wk = 0.0027322 k( 284) = ( 0.2741936 0.2741936 0.2053173), wk = 0.0027322 k( 285) = ( 0.2822581 0.2822581 0.1904231), wk = 0.0027322 k( 286) = ( 0.2903226 0.2903226 0.1755288), wk = 0.0027322 k( 287) = ( 0.2983871 0.2983871 0.1606346), wk = 0.0027322 k( 288) = ( 0.3064516 0.3064516 0.1457404), wk = 0.0027322 k( 289) = ( 0.3145161 0.3145161 0.1308461), wk = 0.0027322 k( 290) = ( 0.3225807 0.3225807 0.1159519), wk = 0.0027322 k( 291) = ( 0.3306452 0.3306452 0.1010576), wk = 0.0027322 k( 292) = ( 0.3387097 0.3387097 0.0861634), wk = 0.0027322 k( 293) = ( 0.3467742 0.3467742 0.0712692), wk = 0.0027322 k( 294) = ( 0.3548387 0.3548387 0.0563749), wk = 0.0027322 k( 295) = ( 0.3629032 0.3629032 0.0414807), wk = 0.0027322 k( 296) = ( 0.3709677 0.3709677 0.0265865), wk = 0.0027322 k( 297) = ( 0.3790323 0.3790323 0.0116922), wk = 0.0027322 k( 298) = ( 0.3870968 0.3870968 -0.0032020), wk = 0.0027322 k( 299) = ( 0.3951613 0.3951613 -0.0180962), wk = 0.0027322 k( 300) = ( 0.4032258 0.4032258 -0.0329905), wk = 0.0027322 k( 301) = ( 0.4112903 0.4112903 -0.0478847), wk = 0.0027322 k( 302) = ( 0.4193548 0.4193548 -0.0627789), wk = 0.0027322 k( 303) = ( 0.4274193 0.4274193 -0.0776732), wk = 0.0027322 k( 304) = ( 0.4354839 0.4354839 -0.0925674), wk = 0.0027322 k( 305) = ( 0.4435484 0.4435484 -0.1074616), wk = 0.0027322 k( 306) = ( 0.4516129 0.4516129 -0.1223559), wk = 0.0027322 k( 307) = ( 0.4596774 0.4596774 -0.1372501), wk = 0.0027322 k( 308) = ( 0.4677419 0.4677419 -0.1521443), wk = 0.0027322 k( 309) = ( 0.4758064 0.4758064 -0.1670386), wk = 0.0027322 k( 310) = ( 0.4838710 0.4838710 -0.1819328), wk = 0.0027322 k( 311) = ( 0.4919355 0.4919355 -0.1968270), wk = 0.0027322 k( 312) = ( 0.5000000 0.5000000 -0.2117213), wk = 0.0027322 k( 313) = ( 0.5000000 0.5000000 -0.2117213), wk = 0.0027322 k( 314) = ( 0.5000000 0.5000000 -0.2216619), wk = 0.0027322 k( 315) = ( 0.5000000 0.5000000 -0.2316026), wk = 0.0027322 k( 316) = ( 0.5000000 0.5000000 -0.2415432), wk = 0.0027322 k( 317) = ( 0.5000000 0.5000000 -0.2514839), wk = 0.0027322 k( 318) = ( 0.5000000 0.5000000 -0.2614245), wk = 0.0027322 k( 319) = ( 0.5000000 0.5000000 -0.2713651), wk = 0.0027322 k( 320) = ( 0.5000000 0.5000000 -0.2813058), wk = 0.0027322 k( 321) = ( 0.5000000 0.5000000 -0.2912464), wk = 0.0027322 k( 322) = ( 0.5000000 0.5000000 -0.3011871), wk = 0.0027322 k( 323) = ( 0.5000000 0.5000000 -0.3111277), wk = 0.0027322 k( 324) = ( 0.5000000 0.5000000 -0.3210684), wk = 0.0027322 k( 325) = ( 0.5000000 0.5000000 -0.3310090), wk = 0.0027322 k( 326) = ( 0.5000000 0.5000000 -0.3409497), wk = 0.0027322 k( 327) = ( 0.5000000 0.5000000 -0.3508903), wk = 0.0027322 k( 328) = ( 0.5000000 0.5000000 -0.3608310), wk = 0.0027322 k( 329) = ( 0.5000000 0.5000000 -0.3707716), wk = 0.0027322 k( 330) = ( 0.5000000 0.5000000 -0.3807122), wk = 0.0027322 k( 331) = ( 0.5000000 0.5000000 -0.3906529), wk = 0.0027322 k( 332) = ( 0.5000000 0.5000000 -0.4005935), wk = 0.0027322 k( 333) = ( 0.5000000 0.5000000 -0.4105342), wk = 0.0027322 k( 334) = ( 0.5000000 0.5000000 -0.4204748), wk = 0.0027322 k( 335) = ( 0.5000000 0.5000000 -0.4304155), wk = 0.0027322 k( 336) = ( 0.5000000 0.5000000 -0.4403561), wk = 0.0027322 k( 337) = ( 0.5000000 0.5000000 -0.4502968), wk = 0.0027322 k( 338) = ( 0.5000000 0.5000000 -0.4602374), wk = 0.0027322 k( 339) = ( 0.5000000 0.5000000 -0.4701781), wk = 0.0027322 k( 340) = ( 0.5000000 0.5000000 -0.4801187), wk = 0.0027322 k( 341) = ( 0.5000000 0.5000000 -0.4900594), wk = 0.0027322 k( 342) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027322 k( 343) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 344) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0027322 k( 345) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0027322 k( 346) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0027322 k( 347) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0027322 k( 348) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0027322 k( 349) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0027322 k( 350) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0027322 k( 351) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0027322 k( 352) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0027322 k( 353) = ( 0.1086957 0.1086957 0.3913044), wk = 0.0027322 k( 354) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0027322 k( 355) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0027322 k( 356) = ( 0.1413043 0.1413043 0.3586957), wk = 0.0027322 k( 357) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0027322 k( 358) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0027322 k( 359) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0027322 k( 360) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0027322 k( 361) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0027322 k( 362) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0027322 k( 363) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0027322 k( 364) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0027322 k( 365) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0027322 k( 366) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 Dense grid: 203697 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 46281 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 250, 42) NL pseudopotentials 0.20 Mb ( 125, 104) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 4244) G-vector shells 0.02 Mb ( 1972) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 250, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.13 Mb ( 104, 2, 42) The potential is recalculated from file : ./BeSO4.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.5 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 49.4 secs Computing kpt #: 4 total cpu time spent up to now is 51.7 secs Computing kpt #: 5 total cpu time spent up to now is 54.2 secs Computing kpt #: 6 total cpu time spent up to now is 56.8 secs Computing kpt #: 7 total cpu time spent up to now is 59.2 secs Computing kpt #: 8 total cpu time spent up to now is 61.7 secs Computing kpt #: 9 total cpu time spent up to now is 64.9 secs Computing kpt #: 10 total cpu time spent up to now is 67.6 secs Computing kpt #: 11 total cpu time spent up to now is 70.1 secs Computing kpt #: 12 total cpu time spent up to now is 72.6 secs Computing kpt #: 13 total cpu time spent up to now is 75.0 secs Computing kpt #: 14 total cpu time spent up to now is 77.6 secs Computing kpt #: 15 total cpu time spent up to now is 80.2 secs Computing kpt #: 16 total cpu time spent up to now is 82.9 secs Computing kpt #: 17 total cpu time spent up to now is 85.4 secs Computing kpt #: 18 total cpu time spent up to now is 88.0 secs Computing kpt #: 19 total cpu time spent up to now is 90.6 secs Computing kpt #: 20 total cpu time spent up to now is 93.2 secs Computing kpt #: 21 total cpu time spent up to now is 95.8 secs Computing kpt #: 22 total cpu time spent up to now is 98.4 secs Computing kpt #: 23 total cpu time spent up to now is 101.0 secs Computing kpt #: 24 total cpu time spent up to now is 103.6 secs Computing kpt #: 25 total cpu time spent up to now is 106.3 secs Computing kpt #: 26 total cpu time spent up to now is 109.0 secs Computing kpt #: 27 total cpu time spent up to now is 111.6 secs Computing kpt #: 28 total cpu time spent up to now is 114.3 secs Computing kpt #: 29 total cpu time spent up to now is 117.0 secs Computing kpt #: 30 total cpu time spent up to now is 119.7 secs Computing kpt #: 31 total cpu time spent up to now is 122.3 secs Computing kpt #: 32 total cpu time spent up to now is 125.3 secs Computing kpt 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spent up to now is 169.4 secs Computing kpt #: 49 total cpu time spent up to now is 171.9 secs Computing kpt #: 50 total cpu time spent up to now is 174.5 secs Computing kpt #: 51 total cpu time spent up to now is 176.9 secs Computing kpt #: 52 total cpu time spent up to now is 179.5 secs Computing kpt #: 53 total cpu time spent up to now is 182.0 secs Computing kpt #: 54 total cpu time spent up to now is 184.4 secs Computing kpt #: 55 total cpu time spent up to now is 187.1 secs Computing kpt #: 56 total cpu time spent up to now is 189.5 secs Computing kpt #: 57 total cpu time spent up to now is 192.0 secs Computing kpt #: 58 total cpu time spent up to now is 194.6 secs Computing kpt #: 59 total cpu time spent up to now is 197.1 secs Computing kpt #: 60 total cpu time spent up to now is 199.7 secs Computing kpt #: 61 total cpu time spent up to now is 202.6 secs Computing kpt #: 62 total cpu time spent up to now is 205.0 secs Computing kpt #: 63 total cpu time spent up to now is 207.5 secs Computing kpt #: 64 total cpu time spent up to now is 210.1 secs Computing kpt #: 65 total cpu time spent up to now is 212.7 secs Computing kpt #: 66 total cpu time spent up to now is 215.1 secs Computing kpt #: 67 total cpu time spent up to now is 217.7 secs Computing kpt #: 68 total cpu time spent up to now is 220.1 secs Computing kpt #: 69 total cpu time spent up to now is 222.7 secs Computing kpt #: 70 total cpu time spent up to now is 225.1 secs Computing kpt #: 71 total cpu time spent up to now is 227.8 secs Computing kpt #: 72 total cpu time spent up to now is 230.3 secs Computing kpt #: 73 total cpu time spent up to now is 232.9 secs Computing kpt #: 74 total cpu time spent up to now is 235.5 secs Computing kpt #: 75 total cpu time spent up to now is 238.1 secs Computing kpt #: 76 total cpu time spent up to now is 240.9 secs Computing kpt #: 77 total cpu time spent up to now is 243.5 secs Computing kpt #: 78 total cpu time spent up to now is 246.2 secs Computing kpt #: 79 total cpu time spent up to now is 248.8 secs Computing kpt #: 80 total cpu time spent up to now is 251.3 secs Computing kpt #: 81 total cpu time spent up to now is 253.9 secs Computing kpt #: 82 total cpu time spent up to now is 256.5 secs Computing kpt #: 83 total cpu time spent up to now is 259.1 secs Computing kpt #: 84 total cpu time spent up to now is 261.7 secs Computing kpt #: 85 total cpu time spent up to now is 264.2 secs Computing kpt #: 86 total cpu time spent up to now is 266.8 secs Computing kpt #: 87 total cpu time spent up to now is 269.5 secs Computing kpt #: 88 total cpu time spent up to now is 272.1 secs Computing kpt #: 89 total cpu time spent up to now is 274.7 secs Computing kpt #: 90 total cpu time spent up to now is 277.4 secs Computing kpt #: 91 total cpu time spent up to now is 279.9 secs Computing kpt #: 92 total cpu time spent up to now is 282.7 secs Computing kpt #: 93 total cpu time spent up to now is 285.4 secs Computing kpt #: 94 total cpu time spent up to now is 288.1 secs Computing kpt #: 95 total cpu time spent up to now is 290.6 secs Computing kpt #: 96 total cpu time spent up to now is 293.2 secs Computing kpt #: 97 total cpu time spent up to now is 295.8 secs Computing kpt #: 98 total cpu time spent up to now is 298.5 secs Computing kpt #: 99 total cpu time spent up to now is 301.2 secs Computing kpt #: 100 total cpu time spent up to now is 303.8 secs Computing kpt #: 101 total cpu time spent up to now is 306.6 secs Computing kpt #: 102 total cpu time spent up to now is 309.2 secs Computing kpt #: 103 total cpu time spent up to now is 311.9 secs Computing kpt #: 104 total cpu time spent up to now is 314.6 secs Computing kpt #: 105 total cpu time spent up to now is 317.3 secs Computing kpt #: 106 total cpu time spent up to now is 320.0 secs Computing kpt #: 107 total cpu time spent up to now is 322.7 secs Computing kpt #: 108 total cpu time spent up to now is 325.4 secs Computing kpt #: 109 total cpu time spent up to now is 328.2 secs Computing kpt #: 110 total cpu time spent up to now is 330.9 secs Computing kpt #: 111 total cpu time spent up to now is 333.7 secs Computing kpt #: 112 total cpu time spent up to now is 336.6 secs Computing kpt #: 113 total cpu time spent up to now is 339.2 secs Computing kpt #: 114 total cpu time spent up to now is 342.0 secs Computing kpt #: 115 total cpu time spent up to now is 344.7 secs Computing kpt #: 116 total cpu time spent up to now is 347.3 secs Computing kpt #: 117 total cpu time spent up to now is 349.9 secs Computing kpt #: 118 total cpu time spent up to now is 352.5 secs Computing kpt #: 119 total cpu time spent up to now is 355.2 secs Computing kpt #: 120 total cpu time spent up to now is 358.0 secs Computing kpt #: 121 total cpu time spent up to now is 360.7 secs Computing kpt #: 122 total cpu time spent up to now is 363.6 secs Computing kpt #: 123 total cpu time spent up to now is 368.0 secs Computing kpt #: 124 total cpu time spent up to now is 371.7 secs Computing kpt #: 125 total cpu time spent up to now is 374.3 secs Computing kpt #: 126 total cpu time spent up to now is 376.9 secs Computing kpt #: 127 total cpu time spent up to now is 379.5 secs Computing kpt #: 128 total cpu time spent up to now is 382.1 secs Computing kpt #: 129 total cpu time spent up to now is 384.7 secs Computing kpt #: 130 total cpu time spent up to now is 387.2 secs Computing kpt #: 131 total cpu time spent up to now is 389.8 secs Computing kpt #: 132 total cpu time spent up to now is 392.4 secs Computing kpt #: 133 total cpu time spent up to now is 394.9 secs Computing kpt #: 134 total cpu time spent up to now is 397.3 secs Computing kpt #: 135 total cpu time spent up to now is 399.7 secs Computing kpt #: 136 total cpu time spent up to now is 402.2 secs Computing kpt #: 137 total cpu time spent up to now is 404.6 secs Computing kpt #: 138 total cpu time spent up to now is 407.0 secs Computing kpt #: 139 total cpu time spent up to now is 409.4 secs Computing kpt #: 140 total cpu time spent up to now is 411.8 secs Computing kpt #: 141 total cpu time spent up to now is 414.2 secs Computing kpt #: 142 total cpu time spent up to now is 416.7 secs Computing kpt #: 143 total cpu time spent up to now is 419.0 secs Computing kpt #: 144 total cpu time spent up to now is 421.2 secs Computing kpt #: 145 total cpu time spent up to now is 423.4 secs Computing kpt #: 146 total cpu time spent up to now is 425.6 secs Computing kpt #: 147 total cpu time spent up to now is 427.6 secs Computing kpt #: 148 total cpu time spent up to now is 429.8 secs Computing kpt #: 149 total cpu time spent up to now is 432.1 secs Computing kpt #: 150 total cpu time spent up to now is 434.4 secs Computing kpt #: 151 total cpu time spent up to now is 436.7 secs Computing kpt #: 152 total cpu time spent up to now is 439.0 secs Computing kpt #: 153 total cpu time spent up to now is 441.5 secs Computing kpt #: 154 total cpu time spent up to now is 443.9 secs Computing kpt #: 155 total cpu time spent up to now is 446.1 secs Computing kpt #: 156 total cpu time spent up to now is 448.3 secs Computing kpt #: 157 total cpu time spent up to now is 450.5 secs Computing kpt #: 158 total cpu time spent up to now is 452.7 secs Computing kpt #: 159 total cpu time spent up to now is 455.0 secs Computing kpt #: 160 total cpu time spent up to now is 457.5 secs Computing kpt #: 161 total cpu time spent up to now is 459.8 secs Computing kpt #: 162 total cpu time spent up to now is 462.2 secs Computing kpt #: 163 total cpu time spent up to now is 464.5 secs Computing kpt #: 164 total cpu time spent up to now is 466.9 secs Computing kpt #: 165 total cpu time spent up to now is 469.3 secs Computing kpt #: 166 total cpu time spent up to now is 471.7 secs Computing kpt #: 167 total cpu time spent up to now is 474.1 secs Computing kpt #: 168 total cpu time spent up to now is 476.5 secs Computing kpt #: 169 total cpu time spent up to now is 478.9 secs Computing kpt #: 170 total cpu time spent up to now is 481.3 secs Computing kpt #: 171 total cpu time spent up to now is 483.8 secs Computing kpt #: 172 total cpu time spent up to now is 486.2 secs Computing kpt #: 173 total cpu time spent up to now is 488.7 secs Computing kpt #: 174 total cpu time spent up to now is 491.3 secs Computing kpt #: 175 total cpu time spent up to now is 493.9 secs Computing kpt #: 176 total cpu time spent up to now is 496.3 secs Computing kpt #: 177 total cpu time spent up to now is 498.9 secs Computing kpt #: 178 total cpu time spent up to now is 501.5 secs Computing kpt #: 179 total cpu time spent up to now is 504.0 secs Computing kpt #: 180 total cpu time spent up to now is 506.5 secs Computing kpt #: 181 total cpu time spent up to now is 509.0 secs Computing kpt #: 182 total cpu time spent up to now is 511.6 secs Computing kpt #: 183 total cpu time spent up to now is 514.1 secs Computing kpt #: 184 total cpu time spent up to now is 516.6 secs Computing kpt #: 185 total cpu time spent up to now is 519.1 secs Computing kpt #: 186 total cpu time spent up to now is 521.6 secs Computing kpt #: 187 total cpu time spent up to now is 524.5 secs Computing kpt #: 188 total cpu time spent up to now is 527.0 secs Computing kpt #: 189 total cpu time spent up to now is 529.4 secs Computing kpt #: 190 total cpu time spent up to now is 531.9 secs Computing kpt #: 191 total cpu time spent up to now is 534.4 secs Computing kpt #: 192 total cpu time spent up to now is 536.8 secs Computing kpt #: 193 total cpu time spent up to now is 539.2 secs Computing kpt #: 194 total cpu time spent up to now is 541.7 secs Computing kpt #: 195 total cpu time spent up to now is 544.1 secs Computing kpt #: 196 total cpu time spent up to now is 546.6 secs Computing kpt #: 197 total cpu time spent up to now is 549.1 secs Computing kpt #: 198 total cpu time spent up to now is 551.6 secs Computing kpt #: 199 total cpu time spent up to now is 554.2 secs Computing kpt #: 200 total cpu time spent up to now is 556.7 secs Computing kpt #: 201 total cpu time spent up to now is 559.2 secs Computing kpt #: 202 total cpu time spent up to now is 561.8 secs Computing kpt #: 203 total cpu time spent up to now is 564.5 secs Computing kpt #: 204 total cpu time spent up to now is 567.1 secs Computing kpt #: 205 total cpu time spent up to now is 569.7 secs Computing kpt #: 206 total cpu time spent up to now is 572.2 secs Computing kpt #: 207 total cpu time spent up to now is 574.7 secs Computing kpt #: 208 total cpu time spent up to now is 577.3 secs Computing kpt #: 209 total cpu time spent up to now is 579.8 secs Computing kpt #: 210 total cpu time spent up to now is 582.4 secs Computing kpt #: 211 total cpu time spent up to now is 584.9 secs Computing kpt #: 212 total cpu time spent up to now is 587.4 secs Computing kpt #: 213 total cpu time spent up to now is 590.0 secs Computing kpt #: 214 total cpu time spent up to now is 592.5 secs Computing kpt #: 215 total cpu time spent up to now is 595.1 secs Computing kpt #: 216 total cpu time spent up to now is 597.8 secs Computing kpt #: 217 total cpu time spent up to now is 600.4 secs Computing kpt #: 218 total cpu time spent up to now is 602.9 secs Computing kpt #: 219 total cpu time spent up to now is 605.7 secs Computing kpt #: 220 total cpu time spent up to now is 608.3 secs Computing kpt #: 221 total cpu time spent up to now is 611.0 secs Computing kpt #: 222 total cpu time spent up to now is 613.7 secs Computing kpt #: 223 total cpu time spent up to now is 616.4 secs Computing kpt #: 224 total cpu time spent up to now is 619.1 secs Computing kpt #: 225 total cpu time spent up to now is 621.8 secs Computing kpt #: 226 total cpu time spent up to now is 624.6 secs Computing kpt #: 227 total cpu time spent up to now is 627.4 secs Computing kpt #: 228 total cpu time spent up to now is 630.2 secs Computing kpt #: 229 total cpu time spent up to now is 633.0 secs Computing kpt #: 230 total cpu time spent up to now is 635.6 secs Computing kpt #: 231 total cpu time spent up to now is 638.3 secs Computing kpt #: 232 total cpu time spent up to now is 641.3 secs Computing kpt #: 233 total cpu time spent up to now is 644.0 secs Computing kpt #: 234 total cpu time spent up to now is 646.8 secs Computing kpt #: 235 total cpu time spent up to now is 649.3 secs Computing kpt #: 236 total cpu time spent up to now is 652.1 secs Computing kpt #: 237 total cpu time spent up to now is 654.9 secs Computing kpt #: 238 total cpu time spent up to now is 657.7 secs Computing kpt #: 239 total cpu time spent up to now is 660.4 secs Computing kpt #: 240 total cpu time spent up to now is 663.2 secs Computing kpt #: 241 total cpu time spent up to now is 668.0 secs Computing kpt #: 242 total cpu time spent up to now is 671.2 secs Computing kpt #: 243 total cpu time spent up to now is 673.8 secs Computing kpt #: 244 total cpu time spent up to now is 676.4 secs Computing kpt #: 245 total cpu time spent up to now is 678.9 secs Computing kpt #: 246 total cpu time spent up to now is 681.4 secs Computing kpt #: 247 total cpu time spent up to now is 684.2 secs Computing kpt #: 248 total cpu time spent up to now is 687.1 secs Computing kpt #: 249 total cpu time spent up to now is 689.8 secs Computing kpt #: 250 total cpu time spent up to now is 692.4 secs Computing kpt #: 251 total cpu time spent up to now is 695.2 secs Computing kpt #: 252 total cpu time spent up to now is 698.0 secs Computing kpt #: 253 total cpu time spent up to now is 700.7 secs Computing kpt #: 254 total cpu time spent up to now is 703.4 secs Computing kpt #: 255 total cpu time spent up to now is 706.2 secs Computing kpt #: 256 total cpu time spent up to now is 709.0 secs Computing kpt #: 257 total cpu time spent up to now is 711.6 secs Computing kpt #: 258 total cpu time spent up to now is 714.4 secs Computing kpt #: 259 total cpu time spent up to now is 717.0 secs Computing kpt #: 260 total cpu time spent up to now is 719.7 secs Computing kpt #: 261 total cpu time spent up to now is 722.5 secs Computing kpt #: 262 total cpu time spent up to now is 725.2 secs Computing kpt #: 263 total cpu time spent up to now is 727.9 secs Computing kpt #: 264 total cpu time spent up to now is 730.6 secs Computing kpt #: 265 total cpu time spent up to now is 733.2 secs Computing kpt #: 266 total cpu time spent up to now is 735.7 secs Computing kpt #: 267 total cpu time spent up to now is 738.4 secs Computing kpt #: 268 total cpu time spent up to now is 740.9 secs Computing kpt #: 269 total cpu time spent up to now is 743.5 secs Computing kpt #: 270 total cpu time spent up to now is 746.1 secs Computing kpt #: 271 total cpu time spent up to now is 748.6 secs Computing kpt #: 272 total cpu time spent up to now is 751.1 secs Computing kpt #: 273 total cpu time spent up to now is 753.6 secs Computing kpt #: 274 total cpu time spent up to now is 756.2 secs Computing kpt #: 275 total cpu time spent up to now is 758.7 secs Computing kpt #: 276 total cpu time spent up to now is 761.3 secs Computing kpt #: 277 total cpu time spent up to now is 763.8 secs Computing kpt #: 278 total cpu time spent up to now is 766.1 secs Computing kpt #: 279 total cpu time spent up to now is 768.6 secs Computing kpt #: 280 total cpu time spent up to now is 771.1 secs Computing kpt #: 281 total cpu time spent up to now is 773.5 secs Computing kpt #: 282 total cpu time spent up to now is 775.8 secs Computing kpt #: 283 total cpu time spent up to now is 778.2 secs Computing kpt #: 284 total cpu time spent up to now is 780.8 secs Computing kpt #: 285 total cpu time spent up to now is 783.2 secs Computing kpt #: 286 total cpu time spent up to now is 785.6 secs Computing kpt #: 287 total cpu time spent up to now is 788.1 secs Computing kpt #: 288 total cpu time spent up to now is 790.6 secs Computing kpt #: 289 total cpu time spent up to now is 793.2 secs Computing kpt #: 290 total cpu time spent up to now is 795.7 secs Computing kpt #: 291 total cpu time spent up to now is 798.2 secs Computing kpt #: 292 total cpu time spent up to now is 800.8 secs Computing kpt #: 293 total cpu time spent up to now is 803.3 secs Computing kpt #: 294 total cpu time spent up to now is 805.9 secs Computing kpt #: 295 total cpu time spent up to now is 808.5 secs Computing kpt #: 296 total cpu time spent up to now is 811.1 secs Computing kpt #: 297 total cpu time spent up to now is 813.8 secs Computing kpt #: 298 total cpu time spent up to now is 816.4 secs Computing kpt #: 299 total cpu time spent up to now is 819.0 secs Computing kpt #: 300 total cpu time spent up to now is 821.6 secs Computing kpt #: 301 total cpu time spent up to now is 824.2 secs Computing kpt #: 302 total cpu time spent up to now is 826.7 secs Computing kpt #: 303 total cpu time spent up to now is 829.4 secs Computing kpt #: 304 total cpu time spent up to now is 832.0 secs Computing kpt #: 305 total cpu time spent up to now is 834.7 secs Computing kpt #: 306 total cpu time spent up to now is 837.3 secs Computing kpt #: 307 total cpu time spent up to now is 839.8 secs Computing kpt #: 308 total cpu time spent up to now is 842.7 secs Computing kpt #: 309 total cpu time spent up to now is 845.4 secs Computing kpt #: 310 total cpu time spent up to now is 848.0 secs Computing kpt #: 311 total cpu time spent up to now is 850.6 secs Computing kpt #: 312 total cpu time spent up to now is 853.1 secs Computing kpt #: 313 total cpu time spent up to now is 855.8 secs Computing kpt #: 314 total cpu time spent up to now is 858.3 secs Computing kpt #: 315 total cpu time spent up to now is 860.8 secs Computing kpt #: 316 total cpu time spent up to now is 863.3 secs Computing kpt #: 317 total cpu time spent up to now is 866.0 secs Computing kpt #: 318 total cpu time spent up to now is 868.4 secs Computing kpt #: 319 total cpu time spent up to now is 870.9 secs Computing kpt #: 320 total cpu time spent up to now is 873.5 secs Computing kpt #: 321 total cpu time spent up to now is 876.0 secs Computing kpt #: 322 total cpu time spent up to now is 878.5 secs Computing kpt #: 323 total cpu time spent up to now is 881.0 secs Computing kpt #: 324 total cpu time spent up to now is 883.5 secs Computing kpt #: 325 total cpu time spent up to now is 886.0 secs Computing kpt #: 326 total cpu time spent up to now is 888.5 secs Computing kpt #: 327 total cpu time spent up to now is 891.0 secs Computing kpt #: 328 total cpu time spent up to now is 893.7 secs Computing kpt #: 329 total cpu time spent up to now is 896.3 secs Computing kpt #: 330 total cpu time spent up to now is 898.8 secs Computing kpt #: 331 total cpu time spent up to now is 901.3 secs Computing kpt #: 332 total cpu time spent up to now is 903.8 secs Computing kpt #: 333 total cpu time spent up to now is 906.4 secs Computing kpt #: 334 total cpu time spent up to now is 908.8 secs Computing kpt #: 335 total cpu time spent up to now is 911.3 secs Computing kpt #: 336 total cpu time spent up to now is 913.8 secs Computing kpt #: 337 total cpu time spent up to now is 916.3 secs Computing kpt #: 338 total cpu time spent up to now is 918.9 secs Computing kpt #: 339 total cpu time spent up to now is 921.4 secs Computing kpt #: 340 total cpu time spent up to now is 923.9 secs Computing kpt #: 341 total cpu time spent up to now is 926.4 secs Computing kpt #: 342 total cpu time spent up to now is 928.8 secs Computing kpt #: 343 total cpu time spent up to now is 931.2 secs Computing kpt #: 344 total cpu time spent up to now is 933.6 secs Computing kpt #: 345 total cpu time spent up to now is 936.1 secs Computing kpt #: 346 total cpu time spent up to now is 938.6 secs Computing kpt #: 347 total cpu time spent up to now is 941.1 secs Computing kpt #: 348 total cpu time spent up to now is 943.6 secs Computing kpt #: 349 total cpu time spent up to now is 946.0 secs Computing kpt #: 350 total cpu time spent up to now is 948.5 secs Computing kpt #: 351 total cpu time spent up to now is 950.9 secs Computing kpt #: 352 total cpu time spent up to now is 953.4 secs Computing kpt #: 353 total cpu time spent up to now is 955.8 secs Computing kpt #: 354 total cpu time spent up to now is 958.3 secs Computing kpt #: 355 total cpu time spent up to now is 960.7 secs Computing kpt #: 356 total cpu time spent up to now is 963.1 secs Computing kpt #: 357 total cpu time spent up to now is 967.2 secs Computing kpt #: 358 total cpu time spent up to now is 970.6 secs Computing kpt #: 359 total cpu time spent up to now is 973.2 secs Computing kpt #: 360 total cpu time spent up to now is 975.6 secs Computing kpt #: 361 total cpu time spent up to now is 978.1 secs Computing kpt #: 362 total cpu time spent up to now is 980.5 secs Computing kpt #: 363 total cpu time spent up to now is 982.9 secs Computing kpt #: 364 total cpu time spent up to now is 985.2 secs Computing kpt #: 365 total cpu time spent up to now is 987.6 secs Computing kpt #: 366 total cpu time spent up to now is 990.0 secs ethr = 2.94E-11, avg # of iterations = 32.2 total cpu time spent up to now is 990.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5803 PWs) bands (ev): -94.7303 -94.7303 -20.8021 -20.8021 -16.5431 -16.5431 -16.4182 -16.4182 -16.4085 -16.4085 -8.3171 -8.3171 -5.0273 -5.0273 -5.0125 -5.0125 -4.4819 -4.4819 -1.1500 -1.1500 -0.6246 -0.6246 0.3030 0.3030 0.3260 0.3260 0.4474 0.4474 0.8056 0.8056 1.7550 1.7550 1.7658 1.7658 8.8464 8.8464 10.1488 10.1488 11.0532 11.0532 11.0929 11.0929 k = 0.0000 0.0000 0.0148 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.8018 -20.8018 -16.5436 -16.5431 -16.4186 -16.4181 -16.4087 -16.4086 -8.3162 -8.3162 -5.0278 -5.0269 -5.0125 -5.0125 -4.4816 -4.4805 -1.1505 -1.1503 -0.6243 -0.6242 0.3014 0.3023 0.3247 0.3248 0.4461 0.4471 0.8066 0.8068 1.7549 1.7551 1.7657 1.7660 8.8486 8.8486 10.1490 10.1507 11.0523 11.0538 11.0928 11.0928 k = 0.0000 0.0000 0.0295 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.8012 -20.8012 -16.5445 -16.5435 -16.4196 -16.4186 -16.4092 -16.4091 -8.3136 -8.3136 -5.0289 -5.0270 -5.0123 -5.0119 -4.4797 -4.4776 -1.1518 -1.1513 -0.6231 -0.6230 0.2969 0.2987 0.3214 0.3216 0.4432 0.4454 0.8096 0.8100 1.7549 1.7552 1.7657 1.7661 8.8552 8.8553 10.1511 10.1545 11.0511 11.0539 11.0922 11.0924 k = 0.0000 0.0000 0.0443 ( 5791 PWs) bands (ev): -94.7303 -94.7303 -20.8001 -20.8001 -16.5460 -16.5444 -16.4211 -16.4197 -16.4100 -16.4096 -8.3093 -8.3093 -5.0314 -5.0285 -5.0108 -5.0099 -4.4762 -4.4732 -1.1538 -1.1531 -0.6212 -0.6210 0.2891 0.2917 0.3166 0.3174 0.4388 0.4421 0.8145 0.8152 1.7548 1.7554 1.7657 1.7663 8.8661 8.8663 10.1552 10.1602 11.0494 11.0535 11.0915 11.0920 k = 0.0000 0.0000 0.0591 ( 5795 PWs) bands (ev): -94.7303 -94.7303 -20.7987 -20.7987 -16.5478 -16.5458 -16.4235 -16.4218 -16.4107 -16.4100 -8.3033 -8.3033 -5.0358 -5.0321 -5.0075 -5.0060 -4.4713 -4.4673 -1.1566 -1.1557 -0.6185 -0.6182 0.2772 0.2804 0.3111 0.3130 0.4329 0.4373 0.8214 0.8222 1.7548 1.7556 1.7657 1.7666 8.8814 8.8815 10.1612 10.1678 11.0472 11.0523 11.0907 11.0919 k = 0.0000 0.0000 0.0738 ( 5799 PWs) bands (ev): -94.7303 -94.7303 -20.7968 -20.7968 -16.5501 -16.5476 -16.4268 -16.4249 -16.4113 -16.4101 -8.2957 -8.2956 -5.0419 -5.0375 -5.0024 -5.0003 -4.4649 -4.4600 -1.1602 -1.1590 -0.6150 -0.6146 0.2613 0.2650 0.3052 0.3083 0.4255 0.4310 0.8299 0.8309 1.7549 1.7557 1.7658 1.7668 8.9008 8.9010 10.1690 10.1773 11.0442 11.0499 11.0903 11.0925 k = 0.0000 0.0000 0.0886 ( 5813 PWs) bands (ev): -94.7303 -94.7303 -20.7945 -20.7945 -16.5528 -16.5499 -16.4311 -16.4290 -16.4117 -16.4100 -8.2863 -8.2863 -5.0494 -5.0445 -4.9957 -4.9930 -4.4572 -4.4515 -1.1645 -1.1631 -0.6107 -0.6102 0.2418 0.2459 0.2987 0.3032 0.4166 0.4235 0.8399 0.8412 1.7549 1.7559 1.7660 1.7672 8.9243 8.9245 10.1785 10.1886 11.0402 11.0463 11.0905 11.0941 k = 0.0000 0.0000 0.1034 ( 5805 PWs) bands (ev): -94.7303 -94.7303 -20.7918 -20.7918 -16.5558 -16.5525 -16.4363 -16.4340 -16.4119 -16.4098 -8.2753 -8.2753 -5.0583 -5.0528 -4.9875 -4.9843 -4.4483 -4.4418 -1.1696 -1.1679 -0.6057 -0.6051 0.2191 0.2234 0.2914 0.2975 0.4063 0.4146 0.8513 0.8528 1.7550 1.7561 1.7663 1.7675 8.9517 8.9520 10.1897 10.2015 11.0351 11.0413 11.0916 11.0969 k = 0.0000 0.0000 0.1181 ( 5801 PWs) bands (ev): -94.7303 -94.7303 -20.7887 -20.7887 -16.5593 -16.5556 -16.4425 -16.4399 -16.4120 -16.4095 -8.2627 -8.2627 -5.0682 -5.0623 -4.9779 -4.9742 -4.4382 -4.4310 -1.1753 -1.1734 -0.5998 -0.5991 0.1936 0.1980 0.2830 0.2908 0.3948 0.4047 0.8639 0.8657 1.7551 1.7563 1.7668 1.7680 8.9828 8.9831 10.2024 10.2159 11.0288 11.0350 11.0939 11.1011 k = 0.0000 0.0000 0.1329 ( 5793 PWs) bands (ev): -94.7303 -94.7303 -20.7852 -20.7852 -16.5631 -16.5590 -16.4494 -16.4466 -16.4120 -16.4092 -8.2486 -8.2485 -5.0790 -5.0728 -4.9671 -4.9627 -4.4272 -4.4192 -1.1818 -1.1797 -0.5932 -0.5925 0.1655 0.1700 0.2732 0.2830 0.3822 0.3939 0.8776 0.8797 1.7553 1.7565 1.7673 1.7685 9.0175 9.0177 10.2165 10.2317 11.0215 11.0276 11.0974 11.1066 k = 0.0000 0.0000 0.1477 ( 5793 PWs) bands (ev): -94.7303 -94.7303 -20.7814 -20.7814 -16.5672 -16.5627 -16.4571 -16.4540 -16.4119 -16.4088 -8.2329 -8.2328 -5.0908 -5.0842 -4.9550 -4.9501 -4.4152 -4.4066 -1.1890 -1.1866 -0.5859 -0.5850 0.1351 0.1396 0.2619 0.2737 0.3688 0.3825 0.8923 0.8947 1.7555 1.7567 1.7680 1.7691 9.0554 9.0556 10.2319 10.2488 11.0131 11.0192 11.1024 11.1136 k = 0.0000 0.0000 0.1624 ( 5789 PWs) bands (ev): -94.7303 -94.7303 -20.7772 -20.7772 -16.5716 -16.5668 -16.4655 -16.4620 -16.4119 -16.4085 -8.2156 -8.2156 -5.1032 -5.0964 -4.9417 -4.9362 -4.4025 -4.3933 -1.1969 -1.1942 -0.5778 -0.5769 0.1027 0.1071 0.2487 0.2626 0.3551 0.3707 0.9080 0.9106 1.7556 1.7569 1.7687 1.7698 9.0963 9.0966 10.2484 10.2670 11.0040 11.0101 11.1088 11.1220 k = 0.0000 0.0000 0.1772 ( 5793 PWs) bands (ev): -94.7303 -94.7303 -20.7727 -20.7727 -16.5764 -16.5712 -16.4746 -16.4707 -16.4118 -16.4082 -8.1970 -8.1969 -5.1164 -5.1092 -4.9272 -4.9213 -4.3891 -4.3793 -1.2054 -1.2024 -0.5691 -0.5681 0.0685 0.0727 0.2335 0.2492 0.3415 0.3588 0.9244 0.9274 1.7558 1.7572 1.7696 1.7705 9.1400 9.1403 10.2658 10.2861 10.9941 11.0003 11.1169 11.1319 k = 0.0000 0.0000 0.1920 ( 5797 PWs) bands (ev): -94.7303 -94.7303 -20.7678 -20.7678 -16.5814 -16.5758 -16.4843 -16.4800 -16.4118 -16.4080 -8.1769 -8.1768 -5.1300 -5.1227 -4.9117 -4.9052 -4.3750 -4.3647 -1.2144 -1.2112 -0.5598 -0.5587 0.0327 0.0367 0.2161 0.2333 0.3284 0.3471 0.9416 0.9450 1.7560 1.7574 1.7706 1.7713 9.1861 9.1864 10.2839 10.3058 10.9838 10.9901 11.1267 11.1436 k = 0.0000 0.0000 0.2067 ( 5797 PWs) bands (ev): -94.7303 -94.7303 -20.7626 -20.7626 -16.5868 -16.5808 -16.4945 -16.4898 -16.4117 -16.4079 -8.1554 -8.1554 -5.1443 -5.1368 -4.8951 -4.8881 -4.3605 -4.3496 -1.2240 -1.2206 -0.5500 -0.5487 -0.0044 -0.0007 0.1963 0.2145 0.3162 0.3358 0.9595 0.9632 1.7562 1.7577 1.7715 1.7722 9.2344 9.2346 10.3026 10.3261 10.9731 10.9795 11.1384 11.1570 k = 0.0000 0.0000 0.2215 ( 5789 PWs) bands (ev): -94.7303 -94.7303 -20.7571 -20.7571 -16.5924 -16.5860 -16.5052 -16.5000 -16.4118 -16.4078 -8.1327 -8.1326 -5.1589 -5.1513 -4.8776 -4.8700 -4.3454 -4.3341 -1.2341 -1.2304 -0.5397 -0.5383 -0.0427 -0.0393 0.1742 0.1928 0.3049 0.3249 0.9781 0.9820 1.7564 1.7581 1.7725 1.7732 9.2845 9.2847 10.3218 10.3467 10.9622 10.9688 11.1520 11.1724 k = 0.0000 0.0000 0.2363 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.7514 -20.7513 -16.5983 -16.5914 -16.5164 -16.5106 -16.4118 -16.4078 -8.1087 -8.1086 -5.1739 -5.1662 -4.8592 -4.8510 -4.3300 -4.3182 -1.2447 -1.2407 -0.5291 -0.5276 -0.0818 -0.0788 0.1499 0.1686 0.2946 0.3144 0.9972 1.0015 1.7567 1.7585 1.7734 1.7743 9.3360 9.3362 10.3412 10.3674 10.9513 10.9580 11.1679 11.1898 k = 0.0000 0.0000 0.2510 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.7453 -20.7453 -16.6045 -16.5971 -16.5279 -16.5215 -16.4120 -16.4078 -8.0836 -8.0835 -5.1893 -5.1815 -4.8400 -4.8312 -4.3143 -4.3020 -1.2556 -1.2513 -0.5182 -0.5166 -0.1216 -0.1191 0.1236 0.1419 0.2850 0.3045 1.0168 1.0214 1.7569 1.7589 1.7743 1.7754 9.3886 9.3888 10.3606 10.3881 10.9405 10.9474 11.1859 11.2093 k = 0.0000 0.0000 0.2658 ( 5779 PWs) bands (ev): -94.7303 -94.7303 -20.7391 -20.7391 -16.6110 -16.6031 -16.5397 -16.5326 -16.4121 -16.4080 -8.0573 -8.0572 -5.2050 -5.1972 -4.8201 -4.8107 -4.2982 -4.2855 -1.2668 -1.2623 -0.5074 -0.5056 -0.1618 -0.1598 0.0953 0.1133 0.2760 0.2950 1.0369 1.0418 1.7572 1.7593 1.7751 1.7765 9.4419 9.4422 10.3800 10.4084 10.9300 10.9371 11.2063 11.2310 k = 0.0000 0.0000 0.2806 ( 5771 PWs) bands (ev): -94.7303 -94.7303 -20.7326 -20.7326 -16.6179 -16.6094 -16.5516 -16.5438 -16.4124 -16.4082 -8.0300 -8.0299 -5.2209 -5.2131 -4.7995 -4.7896 -4.2819 -4.2688 -1.2783 -1.2735 -0.4967 -0.4947 -0.2020 -0.2006 0.0654 0.0829 0.2675 0.2859 1.0574 1.0626 1.7575 1.7598 1.7758 1.7775 9.4955 9.4959 10.3991 10.4283 10.9200 10.9272 11.2291 11.2550 k = 0.0000 0.0000 0.2954 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7259 -20.7259 -16.6252 -16.6161 -16.5635 -16.5550 -16.4127 -16.4085 -8.0017 -8.0017 -5.2371 -5.2293 -4.7783 -4.7679 -4.2654 -4.2519 -1.2900 -1.2849 -0.4867 -0.4844 -0.2419 -0.2412 0.0340 0.0511 0.2595 0.2772 1.0782 1.0837 1.7578 1.7603 1.7764 1.7784 9.5491 9.5497 10.4178 10.4476 10.9106 10.9180 11.2544 11.2812 k = 0.0000 0.0000 0.3101 ( 5779 PWs) bands (ev): -94.7303 -94.7303 -20.7191 -20.7191 -16.6330 -16.6233 -16.5753 -16.5660 -16.4131 -16.4089 -7.9726 -7.9725 -5.2534 -5.2456 -4.7567 -4.7457 -4.2487 -4.2347 -1.3018 -1.2965 -0.4777 -0.4751 -0.2813 -0.2807 0.0015 0.0181 0.2518 0.2689 1.0993 1.1051 1.7582 1.7608 1.7769 1.7792 9.6022 9.6030 10.4361 10.4661 10.9020 10.9096 11.2821 11.3098 k = 0.0000 0.0000 0.3249 ( 5779 PWs) bands (ev): -94.7303 -94.7303 -20.7121 -20.7121 -16.6413 -16.6310 -16.5867 -16.5768 -16.4135 -16.4093 -7.9426 -7.9426 -5.2699 -5.2622 -4.7348 -4.7233 -4.2318 -4.2175 -1.3137 -1.3081 -0.4708 -0.4678 -0.3194 -0.3179 -0.0320 -0.0158 0.2445 0.2610 1.1206 1.1268 1.7585 1.7613 1.7772 1.7799 9.6545 9.6555 10.4537 10.4838 10.8944 10.9021 11.3123 11.3405 k = 0.0000 0.0000 0.3397 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7050 -20.7050 -16.6501 -16.6396 -16.5975 -16.5871 -16.4139 -16.4098 -7.9120 -7.9119 -5.2866 -5.2789 -4.7127 -4.7007 -4.2147 -4.2001 -1.3257 -1.3198 -0.4680 -0.4645 -0.3540 -0.3513 -0.0662 -0.0502 0.2377 0.2536 1.1421 1.1486 1.7589 1.7618 1.7774 1.7803 9.7056 9.7069 10.4706 10.5005 10.8880 10.8958 11.3447 11.3733 k = 0.0000 0.0000 0.3544 ( 5773 PWs) bands (ev): -94.7303 -94.7303 -20.6978 -20.6978 -16.6596 -16.6489 -16.6076 -16.5970 -16.4145 -16.4104 -7.8807 -7.8806 -5.3033 -5.2957 -4.6905 -4.6780 -4.1975 -4.1825 -1.3377 -1.3315 -0.4731 -0.4694 -0.3809 -0.3771 -0.1006 -0.0849 0.2314 0.2467 1.1637 1.1705 1.7592 1.7623 1.7774 1.7805 9.7553 9.7569 10.4867 10.5161 10.8829 10.8907 11.3792 11.4081 k = 0.0000 0.0000 0.3692 ( 5773 PWs) bands (ev): -94.7303 -94.7303 -20.6905 -20.6905 -16.6696 -16.6593 -16.6167 -16.6063 -16.4150 -16.4110 -7.8489 -7.8488 -5.3201 -5.3127 -4.6683 -4.6553 -4.1801 -4.1648 -1.3496 -1.3431 -0.4900 -0.4873 -0.3956 -0.3917 -0.1350 -0.1193 0.2257 0.2404 1.1854 1.1924 1.7595 1.7628 1.7771 1.7805 9.8032 9.8051 10.5019 10.5307 10.8792 10.8870 11.4156 11.4446 k = 0.0000 0.0000 0.3840 ( 5779 PWs) bands (ev): -94.7303 -94.7303 -20.6832 -20.6832 -16.6803 -16.6704 -16.6250 -16.6150 -16.4156 -16.4117 -7.8167 -7.8166 -5.3370 -5.3296 -4.6463 -4.6329 -4.1625 -4.1470 -1.3613 -1.3546 -0.5170 -0.5157 -0.4007 -0.3972 -0.1688 -0.1531 0.2206 0.2347 1.2071 1.2144 1.7597 1.7633 1.7767 1.7802 9.8491 9.8513 10.5162 10.5441 10.8770 10.8848 11.4536 11.4825 k = 0.0000 0.0000 0.3987 ( 5767 PWs) bands (ev): -94.7303 -94.7303 -20.6759 -20.6759 -16.6913 -16.6822 -16.6325 -16.6231 -16.4163 -16.4125 -7.7841 -7.7840 -5.3539 -5.3467 -4.6246 -4.6109 -4.1447 -4.1290 -1.3730 -1.3660 -0.5495 -0.5482 -0.4027 -0.3994 -0.2012 -0.1855 0.2163 0.2298 1.2287 1.2363 1.7598 1.7638 1.7760 1.7797 9.8927 9.8952 10.5296 10.5566 10.8764 10.8841 11.4928 11.5216 k = 0.0000 0.0000 0.4135 ( 5771 PWs) bands (ev): -94.7303 -94.7303 -20.6686 -20.6686 -16.7028 -16.6945 -16.6393 -16.6306 -16.4170 -16.4133 -7.7513 -7.7512 -5.3708 -5.3637 -4.6034 -4.5894 -4.1267 -4.1109 -1.3844 -1.3771 -0.5842 -0.5817 -0.4054 -0.4023 -0.2313 -0.2158 0.2129 0.2258 1.2502 1.2581 1.7597 1.7642 1.7751 1.7790 9.9339 9.9368 10.5420 10.5680 10.8773 10.8849 11.5328 11.5612 k = 0.0000 0.0000 0.4283 ( 5771 PWs) bands (ev): -94.7303 -94.7303 -20.6614 -20.6614 -16.7145 -16.7069 -16.6457 -16.6376 -16.4177 -16.4141 -7.7184 -7.7183 -5.3876 -5.3807 -4.5827 -4.5685 -4.1085 -4.0926 -1.3957 -1.3880 -0.6192 -0.6154 -0.4109 -0.4084 -0.2578 -0.2429 0.2104 0.2227 1.2715 1.2797 1.7593 1.7646 1.7740 1.7781 9.9726 9.9758 10.5537 10.5786 10.8796 10.8870 11.5729 11.6010 k = 0.0000 0.0000 0.4430 ( 5773 PWs) bands (ev): -94.7303 -94.7303 -20.6542 -20.6542 -16.7263 -16.7195 -16.6516 -16.6442 -16.4184 -16.4149 -7.6856 -7.6855 -5.4043 -5.3976 -4.5628 -4.5484 -4.0901 -4.0742 -1.4066 -1.3987 -0.6538 -0.6487 -0.4206 -0.4191 -0.2797 -0.2660 0.2090 0.2207 1.2927 1.3011 1.7585 1.7649 1.7727 1.7772 10.0087 10.0122 10.5647 10.5886 10.8833 10.8904 11.6126 11.6402 k = 0.0000 0.0000 0.4578 ( 5769 PWs) bands (ev): -94.7303 -94.7303 -20.6471 -20.6471 -16.7382 -16.7321 -16.6571 -16.6504 -16.4191 -16.4158 -7.6528 -7.6527 -5.4210 -5.4145 -4.5436 -4.5293 -4.0715 -4.0557 -1.4172 -1.4090 -0.6879 -0.6815 -0.4356 -0.4342 -0.2966 -0.2846 0.2087 0.2197 1.3136 1.3223 1.7571 1.7649 1.7713 1.7763 10.0421 10.0458 10.5753 10.5982 10.8881 10.8949 11.6512 11.6784 k = 0.0000 0.0000 0.4726 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.6402 -20.6402 -16.7499 -16.7444 -16.6623 -16.6562 -16.4199 -16.4167 -7.6204 -7.6203 -5.4374 -5.4312 -4.5254 -4.5111 -4.0527 -4.0371 -1.4274 -1.4190 -0.7213 -0.7137 -0.4555 -0.4523 -0.3093 -0.2994 0.2095 0.2198 1.3342 1.3431 1.7552 1.7643 1.7700 1.7756 10.0730 10.0768 10.5856 10.6076 10.8938 10.9001 11.6880 11.7146 k = 0.0000 0.0000 0.4873 ( 5771 PWs) bands (ev): -94.7303 -94.7303 -20.6335 -20.6335 -16.7615 -16.7566 -16.6673 -16.6617 -16.4206 -16.4175 -7.5883 -7.5882 -5.4537 -5.4477 -4.5082 -4.4941 -4.0338 -4.0185 -1.4372 -1.4285 -0.7541 -0.7453 -0.4779 -0.4727 -0.3194 -0.3116 0.2114 0.2211 1.3544 1.3636 1.7527 1.7626 1.7694 1.7751 10.1012 10.1052 10.5958 10.6170 10.9002 10.9060 11.7223 11.7483 k = 0.0000 0.0000 0.5021 ( 5763 PWs) bands (ev): -94.7303 -94.7303 -20.6269 -20.6269 -16.7728 -16.7684 -16.6719 -16.6668 -16.4213 -16.4184 -7.5568 -7.5567 -5.4697 -5.4639 -4.4921 -4.4783 -4.0148 -3.9999 -1.4464 -1.4375 -0.7864 -0.7765 -0.5008 -0.4939 -0.3285 -0.3223 0.2144 0.2234 1.3743 1.3838 1.7495 1.7598 1.7693 1.7748 10.1268 10.1309 10.6063 10.6267 10.9069 10.9123 11.7535 11.7788 k = 0.0000 0.0000 0.5169 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.6206 -20.6206 -16.7838 -16.7798 -16.6763 -16.6716 -16.4221 -16.4193 -7.5260 -7.5259 -5.4854 -5.4799 -4.4771 -4.4637 -3.9958 -3.9814 -1.4550 -1.4459 -0.8182 -0.8075 -0.5229 -0.5146 -0.3374 -0.3327 0.2184 0.2267 1.3938 1.4035 1.7458 1.7562 1.7695 1.7747 10.1500 10.1540 10.6171 10.6369 10.9139 10.9187 11.7809 11.8055 k = 0.0000 0.0000 0.5316 ( 5781 PWs) bands (ev): -94.7303 -94.7303 -20.6145 -20.6145 -16.7943 -16.7907 -16.6804 -16.6762 -16.4228 -16.4202 -7.4961 -7.4960 -5.5007 -5.4954 -4.4633 -4.4504 -3.9770 -3.9631 -1.4628 -1.4536 -0.8497 -0.8382 -0.5431 -0.5338 -0.3468 -0.3433 0.2232 0.2309 1.4128 1.4227 1.7414 1.7520 1.7698 1.7747 10.1707 10.1747 10.6284 10.6475 10.9208 10.9252 11.8044 11.8281 k = 0.0000 0.0000 0.5464 ( 5781 PWs) bands (ev): -94.7303 -94.7303 -20.6087 -20.6087 -16.8044 -16.8012 -16.6843 -16.6804 -16.4234 -16.4210 -7.4672 -7.4670 -5.5155 -5.5106 -4.4507 -4.4384 -3.9584 -3.9452 -1.4699 -1.4606 -0.8809 -0.8688 -0.5608 -0.5508 -0.3570 -0.3545 0.2288 0.2358 1.4314 1.4415 1.7366 1.7473 1.7702 1.7747 10.1892 10.1930 10.6403 10.6588 10.9276 10.9315 11.8236 11.8464 k = 0.0000 0.0000 0.5612 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.6032 -20.6032 -16.8139 -16.8111 -16.6879 -16.6844 -16.4241 -16.4218 -7.4394 -7.4393 -5.5298 -5.5252 -4.4392 -4.4276 -3.9401 -3.9277 -1.4761 -1.4668 -0.9117 -0.8993 -0.5756 -0.5652 -0.3682 -0.3665 0.2349 0.2412 1.4494 1.4598 1.7312 1.7420 1.7707 1.7748 10.2055 10.2091 10.6528 10.6706 10.9341 10.9376 11.8387 11.8604 k = 0.0000 0.0000 0.5759 ( 5781 PWs) bands (ev): -94.7303 -94.7303 -20.5981 -20.5981 -16.8229 -16.8203 -16.6912 -16.6880 -16.4247 -16.4226 -7.4130 -7.4129 -5.5435 -5.5392 -4.4288 -4.4180 -3.9224 -3.9109 -1.4814 -1.4720 -0.9419 -0.9295 -0.5873 -0.5768 -0.3803 -0.3793 0.2413 0.2471 1.4670 1.4775 1.7253 1.7362 1.7711 1.7748 10.2197 10.2232 10.6657 10.6828 10.9402 10.9433 11.8498 11.8703 k = 0.0000 0.0000 0.5907 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.5933 -20.5933 -16.8312 -16.8290 -16.6942 -16.6914 -16.4252 -16.4233 -7.3881 -7.3880 -5.5565 -5.5525 -4.4196 -4.4096 -3.9055 -3.8948 -1.4855 -1.4763 -0.9715 -0.9592 -0.5959 -0.5854 -0.3935 -0.3926 0.2479 0.2531 1.4840 1.4948 1.7189 1.7299 1.7715 1.7749 10.2322 10.2354 10.6790 10.6952 10.9459 10.9486 11.8573 11.8765 k = 0.0000 0.0000 0.6055 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5889 -20.5889 -16.8389 -16.8369 -16.6969 -16.6944 -16.4257 -16.4240 -7.3649 -7.3648 -5.5686 -5.5650 -4.4114 -4.4023 -3.8894 -3.8797 -1.4887 -1.4797 -1.0001 -0.9881 -0.6014 -0.5912 -0.4077 -0.4065 0.2545 0.2591 1.5005 1.5114 1.7120 1.7232 1.7719 1.7750 10.2429 10.2458 10.6925 10.7078 10.9511 10.9534 11.8616 11.8795 k = 0.0000 0.0000 0.6202 ( 5800 PWs) bands (ev): -94.7303 -94.7303 -20.5849 -20.5849 -16.8458 -16.8441 -16.6994 -16.6972 -16.4262 -16.4247 -7.3436 -7.3434 -5.5798 -5.5765 -4.4042 -4.3960 -3.8744 -3.8657 -1.4907 -1.4820 -1.0274 -1.0160 -0.6040 -0.5941 -0.4226 -0.4209 0.2610 0.2650 1.5165 1.5275 1.7047 1.7159 1.7723 1.7750 10.2520 10.2547 10.7058 10.7200 10.9557 10.9578 11.8634 11.8798 k = 0.0000 0.0000 0.6350 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.5813 -20.5813 -16.8520 -16.8505 -16.7016 -16.6996 -16.4266 -16.4253 -7.3243 -7.3241 -5.5900 -5.5871 -4.3980 -4.3908 -3.8606 -3.8529 -1.4917 -1.4835 -1.0530 -1.0423 -0.6039 -0.5945 -0.4380 -0.4357 0.2671 0.2705 1.5319 1.5430 1.6969 1.7082 1.7726 1.7751 10.2598 10.2622 10.7188 10.7318 10.9598 10.9616 11.8632 11.8780 k = 0.0000 0.0000 0.6498 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5782 -20.5782 -16.8574 -16.8562 -16.7034 -16.7018 -16.4270 -16.4258 -7.3071 -7.3070 -5.5990 -5.5965 -4.3927 -4.3864 -3.8483 -3.8416 -1.4918 -1.4841 -1.0765 -1.0668 -0.6013 -0.5923 -0.4537 -0.4509 0.2727 0.2756 1.5467 1.5579 1.6888 1.7001 1.7730 1.7751 10.2662 10.2683 10.7312 10.7427 10.9633 10.9649 11.8617 11.8746 k = 0.0000 0.0000 0.6645 ( 5798 PWs) bands (ev): -94.7303 -94.7303 -20.5755 -20.5755 -16.8621 -16.8610 -16.7050 -16.7037 -16.4272 -16.4263 -7.2924 -7.2923 -5.6069 -5.6048 -4.3882 -4.3829 -3.8374 -3.8319 -1.4910 -1.4841 -1.0974 -1.0888 -0.5965 -0.5880 -0.4695 -0.4662 0.2777 0.2802 1.5609 1.5721 1.6802 1.6915 1.7733 1.7750 10.2716 10.2733 10.7425 10.7525 10.9663 10.9676 11.8594 11.8704 k = 0.0000 0.0000 0.6793 ( 5796 PWs) bands (ev): -94.7303 -94.7303 -20.5733 -20.5733 -16.8658 -16.8650 -16.7063 -16.7052 -16.4275 -16.4267 -7.2801 -7.2800 -5.6134 -5.6117 -4.3845 -4.3802 -3.8283 -3.8238 -1.4896 -1.4838 -1.1153 -1.1080 -0.5896 -0.5816 -0.4852 -0.4814 0.2820 0.2840 1.5745 1.5857 1.6713 1.6825 1.7736 1.7750 10.2758 10.2772 10.7525 10.7608 10.9688 10.9699 11.8569 11.8659 k = 0.0000 0.0000 0.6941 ( 5798 PWs) bands (ev): -94.7303 -94.7303 -20.5715 -20.5715 -16.8688 -16.8682 -16.7072 -16.7064 -16.4276 -16.4270 -7.2704 -7.2703 -5.6185 -5.6172 -4.3815 -4.3783 -3.8209 -3.8176 -1.4879 -1.4833 -1.1295 -1.1239 -0.5809 -0.5736 -0.5007 -0.4964 0.2855 0.2870 1.5874 1.5983 1.6622 1.6732 1.7738 1.7749 10.2791 10.2801 10.7609 10.7673 10.9707 10.9715 11.8546 11.8615 k = 0.0000 0.0000 0.7088 ( 5798 PWs) bands (ev): -94.7303 -94.7303 -20.5703 -20.5703 -16.8709 -16.8705 -16.7079 -16.7073 -16.4277 -16.4273 -7.2634 -7.2633 -5.6221 -5.6212 -4.3793 -4.3771 -3.8154 -3.8132 -1.4862 -1.4829 -1.1398 -1.1359 -0.5708 -0.5641 -0.5155 -0.5109 0.2881 0.2891 1.5995 1.6095 1.6536 1.6637 1.7741 1.7748 10.2814 10.2821 10.7675 10.7718 10.9722 10.9727 11.8530 11.8577 k = 0.0000 0.0000 0.7236 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5695 -20.5695 -16.8721 -16.8719 -16.7082 -16.7080 -16.4277 -16.4275 -7.2591 -7.2591 -5.6242 -5.6238 -4.3777 -4.3767 -3.8119 -3.8108 -1.4846 -1.4829 -1.1458 -1.1438 -0.5597 -0.5541 -0.5290 -0.5244 0.2898 0.2903 1.6102 1.6175 1.6471 1.6545 1.7743 1.7746 10.2829 10.2832 10.7719 10.7741 10.9731 10.9734 11.8525 11.8548 k = 0.0000 0.0000 0.7384 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8724 -16.8724 -16.7082 -16.7082 -16.4276 -16.4276 -7.2577 -7.2577 -5.6248 -5.6248 -4.3768 -4.3768 -3.8103 -3.8103 -1.4835 -1.4835 -1.1471 -1.1471 -0.5501 -0.5501 -0.5344 -0.5344 0.2905 0.2905 1.6177 1.6177 1.6474 1.6474 1.7745 1.7745 10.2835 10.2835 10.7742 10.7742 10.9735 10.9735 11.8530 11.8530 k = 0.0000 0.0000 0.7384 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8724 -16.8724 -16.7082 -16.7082 -16.4276 -16.4276 -7.2577 -7.2577 -5.6248 -5.6248 -4.3768 -4.3768 -3.8103 -3.8103 -1.4835 -1.4835 -1.1471 -1.1471 -0.5501 -0.5501 -0.5344 -0.5344 0.2905 0.2905 1.6177 1.6177 1.6474 1.6474 1.7745 1.7745 10.2835 10.2835 10.7742 10.7742 10.9735 10.9735 11.8530 11.8530 k =-0.0101 0.0110 0.7384 ( 5798 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8737 -16.8722 -16.7085 -16.7070 -16.4277 -16.4277 -7.2572 -7.2571 -5.6246 -5.6239 -4.3773 -4.3765 -3.8109 -3.8105 -1.4839 -1.4837 -1.1481 -1.1472 -0.5715 -0.5656 -0.5179 -0.5130 0.2902 0.2908 1.6144 1.6175 1.6463 1.6491 1.7742 1.7755 10.2839 10.2843 10.7734 10.7744 10.9728 10.9732 11.8530 11.8536 k =-0.0202 0.0219 0.7384 ( 5796 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8760 -16.8731 -16.7078 -16.7047 -16.4279 -16.4278 -7.2555 -7.2554 -5.6234 -5.6219 -4.3778 -4.3761 -3.8122 -3.8115 -1.4850 -1.4846 -1.1504 -1.1485 -0.5959 -0.5892 -0.4922 -0.4877 0.2899 0.2909 1.6080 1.6134 1.6463 1.6511 1.7747 1.7772 10.2856 10.2863 10.7720 10.7741 10.9712 10.9720 11.8536 11.8548 k =-0.0302 0.0329 0.7384 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8792 -16.8750 -16.7061 -16.7017 -16.4282 -16.4281 -7.2528 -7.2526 -5.6212 -5.6189 -4.3783 -4.3758 -3.8143 -3.8132 -1.4866 -1.4860 -1.1538 -1.1510 -0.6196 -0.6123 -0.4662 -0.4620 0.2894 0.2910 1.5989 1.6056 1.6472 1.6530 1.7758 1.7795 10.2885 10.2895 10.7702 10.7733 10.9687 10.9700 11.8547 11.8566 k =-0.0403 0.0438 0.7384 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5690 -20.5690 -16.8832 -16.8778 -16.7035 -16.6978 -16.4287 -16.4285 -7.2490 -7.2488 -5.6180 -5.6149 -4.3788 -4.3755 -3.8171 -3.8156 -1.4889 -1.4881 -1.1584 -1.1547 -0.6422 -0.6343 -0.4402 -0.4365 0.2889 0.2910 1.5873 1.5947 1.6487 1.6551 1.7774 1.7820 10.2926 10.2939 10.7678 10.7719 10.9654 10.9672 11.8564 11.8588 k =-0.0504 0.0548 0.7384 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5689 -20.5689 -16.8879 -16.8815 -16.7001 -16.6933 -16.4292 -16.4290 -7.2441 -7.2438 -5.6137 -5.6099 -4.3794 -4.3753 -3.8207 -3.8188 -1.4917 -1.4907 -1.1642 -1.1596 -0.6635 -0.6549 -0.4147 -0.4114 0.2884 0.2910 1.5734 1.5813 1.6506 1.6573 1.7791 1.7846 10.2977 10.2993 10.7649 10.7699 10.9616 10.9638 11.8586 11.8616 k =-0.0605 0.0657 0.7384 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5687 -20.5687 -16.8932 -16.8860 -16.6959 -16.6882 -16.4299 -16.4296 -7.2381 -7.2378 -5.6085 -5.6039 -4.3799 -4.3750 -3.8250 -3.8228 -1.4950 -1.4939 -1.1711 -1.1657 -0.6833 -0.6741 -0.3899 -0.3869 0.2877 0.2908 1.5574 1.5655 1.6528 1.6597 1.7809 1.7870 10.3038 10.3058 10.7614 10.7673 10.9574 10.9601 11.8612 11.8647 k =-0.0706 0.0767 0.7384 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.5685 -20.5685 -16.8991 -16.8912 -16.6911 -16.6827 -16.4307 -16.4304 -7.2312 -7.2308 -5.6024 -5.5970 -4.3805 -4.3748 -3.8300 -3.8274 -1.4987 -1.4975 -1.1791 -1.1729 -0.7014 -0.6916 -0.3660 -0.3633 0.2869 0.2904 1.5396 1.5478 1.6554 1.6625 1.7826 1.7893 10.3109 10.3131 10.7574 10.7641 10.9531 10.9562 11.8641 11.8681 k =-0.0807 0.0876 0.7384 ( 5800 PWs) bands (ev): -94.7303 -94.7303 -20.5683 -20.5683 -16.9054 -16.8970 -16.6858 -16.6768 -16.4316 -16.4312 -7.2232 -7.2228 -5.5953 -5.5892 -4.3810 -4.3745 -3.8357 -3.8328 -1.5029 -1.5016 -1.1882 -1.1812 -0.7179 -0.7076 -0.3431 -0.3408 0.2859 0.2900 1.5199 1.5282 1.6582 1.6655 1.7841 1.7913 10.3187 10.3213 10.7528 10.7601 10.9489 10.9525 11.8673 11.8718 k =-0.0907 0.0986 0.7384 ( 5798 PWs) bands (ev): -94.7303 -94.7303 -20.5681 -20.5681 -16.9120 -16.9032 -16.6801 -16.6705 -16.4325 -16.4321 -7.2143 -7.2139 -5.5873 -5.5805 -4.3814 -4.3741 -3.8421 -3.8389 -1.5074 -1.5060 -1.1981 -1.1904 -0.7326 -0.7219 -0.3215 -0.3196 0.2848 0.2893 1.4987 1.5070 1.6613 1.6688 1.7854 1.7931 10.3273 10.3301 10.7475 10.7555 10.9451 10.9492 11.8707 11.8756 k =-0.1008 0.1096 0.7384 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5678 -20.5678 -16.9190 -16.9098 -16.6740 -16.6641 -16.4336 -16.4332 -7.2046 -7.2041 -5.5785 -5.5709 -4.3818 -4.3737 -3.8492 -3.8456 -1.5122 -1.5108 -1.2087 -1.2004 -0.7456 -0.7345 -0.3014 -0.2997 0.2835 0.2883 1.4760 1.4843 1.6648 1.6724 1.7864 1.7945 10.3363 10.3394 10.7416 10.7500 10.9420 10.9466 11.8741 11.8795 k =-0.1109 0.1205 0.7384 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5675 -20.5675 -16.9261 -16.9167 -16.6677 -16.6574 -16.4348 -16.4343 -7.1939 -7.1934 -5.5690 -5.5607 -4.3821 -4.3733 -3.8569 -3.8530 -1.5172 -1.5157 -1.2198 -1.2109 -0.7571 -0.7457 -0.2829 -0.2815 0.2818 0.2870 1.4520 1.4603 1.6685 1.6763 1.7872 1.7957 10.3458 10.3491 10.7350 10.7438 10.9399 10.9450 11.8775 11.8833 k =-0.1210 0.1315 0.7384 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5672 -20.5672 -16.9334 -16.9239 -16.6611 -16.6506 -16.4360 -16.4355 -7.1825 -7.1820 -5.5587 -5.5497 -4.3823 -4.3726 -3.8652 -3.8610 -1.5224 -1.5208 -1.2313 -1.2218 -0.7671 -0.7555 -0.2662 -0.2649 0.2797 0.2852 1.4268 1.4351 1.6724 1.6805 1.7879 1.7967 10.3556 10.3591 10.7278 10.7368 10.9390 10.9445 11.8808 11.8869 k =-0.1311 0.1424 0.7384 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5669 -20.5669 -16.9409 -16.9312 -16.6544 -16.6437 -16.4373 -16.4368 -7.1703 -7.1697 -5.5478 -5.5380 -4.3822 -4.3719 -3.8741 -3.8696 -1.5277 -1.5260 -1.2428 -1.2328 -0.7758 -0.7640 -0.2514 -0.2501 0.2771 0.2829 1.4006 1.4088 1.6767 1.6850 1.7885 1.7975 10.3655 10.3692 10.7199 10.7291 10.9394 10.9454 11.8839 11.8903 k =-0.1411 0.1534 0.7384 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5665 -20.5665 -16.9485 -16.9388 -16.6475 -16.6368 -16.4387 -16.4381 -7.1575 -7.1568 -5.5363 -5.5258 -4.3820 -4.3709 -3.8835 -3.8787 -1.5330 -1.5311 -1.2541 -1.2437 -0.7833 -0.7715 -0.2387 -0.2372 0.2738 0.2799 1.3735 1.3817 1.6812 1.6898 1.7891 1.7984 10.3754 10.3793 10.7116 10.7208 10.9414 10.9477 11.8867 11.8934 k =-0.1512 0.1643 0.7384 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5662 -20.5661 -16.9561 -16.9464 -16.6405 -16.6298 -16.4401 -16.4395 -7.1440 -7.1433 -5.5242 -5.5131 -4.3816 -4.3698 -3.8935 -3.8884 -1.5382 -1.5361 -1.2650 -1.2542 -0.7899 -0.7781 -0.2280 -0.2262 0.2697 0.2759 1.3456 1.3538 1.6860 1.6947 1.7898 1.7992 10.3853 10.3893 10.7027 10.7120 10.9450 10.9515 11.8890 11.8959 k =-0.1613 0.1753 0.7384 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5658 -20.5658 -16.9638 -16.9541 -16.6335 -16.6228 -16.4416 -16.4410 -7.1299 -7.1292 -5.5118 -5.5000 -4.3808 -4.3683 -3.9039 -3.8985 -1.5432 -1.5409 -1.2754 -1.2641 -0.7956 -0.7839 -0.2194 -0.2172 0.2646 0.2710 1.3172 1.3253 1.6911 1.7000 1.7906 1.8002 10.3951 10.3991 10.6936 10.7028 10.9501 10.9568 11.8908 11.8980 k =-0.1714 0.1862 0.7384 ( 5776 PWs) bands (ev): -94.7303 -94.7303 -20.5654 -20.5654 -16.9715 -16.9619 -16.6265 -16.6158 -16.4431 -16.4425 -7.1154 -7.1147 -5.4989 -5.4865 -4.3798 -4.3666 -3.9147 -3.9091 -1.5480 -1.5453 -1.2849 -1.2733 -0.8007 -0.7890 -0.2129 -0.2103 0.2583 0.2648 1.2883 1.2963 1.6964 1.7055 1.7916 1.8013 10.4047 10.4088 10.6843 10.6935 10.9567 10.9634 11.8919 11.8994 k =-0.1815 0.1972 0.7384 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5650 -20.5650 -16.9791 -16.9697 -16.6194 -16.6088 -16.4447 -16.4440 -7.1005 -7.0997 -5.4858 -5.4728 -4.3783 -4.3646 -3.9259 -3.9201 -1.5524 -1.5494 -1.2936 -1.2815 -0.8052 -0.7937 -0.2085 -0.2054 0.2506 0.2571 1.2591 1.2671 1.7020 1.7112 1.7930 1.8028 10.4141 10.4182 10.6751 10.6841 10.9646 10.9712 11.8924 11.9000 k =-0.1916 0.2082 0.7384 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5646 -20.5645 -16.9868 -16.9775 -16.6124 -16.6019 -16.4463 -16.4456 -7.0852 -7.0844 -5.4724 -5.4589 -4.3765 -4.3622 -3.9375 -3.9314 -1.5563 -1.5529 -1.3012 -1.2887 -0.8093 -0.7981 -0.2062 -0.2026 0.2413 0.2478 1.2299 1.2378 1.7079 1.7171 1.7947 1.8045 10.4232 10.4274 10.6660 10.6750 10.9736 10.9802 11.8920 11.8998 k =-0.2016 0.2191 0.7384 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5642 -20.5641 -16.9943 -16.9852 -16.6054 -16.5950 -16.4479 -16.4472 -7.0696 -7.0688 -5.4589 -5.4449 -4.3743 -4.3594 -3.9493 -3.9431 -1.5595 -1.5558 -1.3076 -1.2948 -0.8132 -0.8021 -0.2060 -0.2019 0.2302 0.2367 1.2007 1.2086 1.7141 1.7233 1.7969 1.8066 10.4322 10.4363 10.6573 10.6662 10.9836 10.9899 11.8908 11.8988 k =-0.2117 0.2301 0.7384 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5637 -20.5637 -17.0018 -16.9929 -16.5985 -16.5882 -16.4495 -16.4488 -7.0539 -7.0530 -5.4454 -5.4309 -4.3716 -4.3562 -3.9613 -3.9549 -1.5620 -1.5580 -1.3127 -1.2996 -0.8168 -0.8060 -0.2078 -0.2032 0.2172 0.2235 1.1718 1.1796 1.7206 1.7298 1.7996 1.8092 10.4410 10.4451 10.6491 10.6579 10.9944 11.0004 11.8886 11.8968 k =-0.2117 0.2301 0.7384 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5637 -20.5637 -17.0018 -16.9929 -16.5985 -16.5882 -16.4495 -16.4488 -7.0539 -7.0530 -5.4454 -5.4309 -4.3716 -4.3562 -3.9613 -3.9549 -1.5620 -1.5580 -1.3127 -1.2996 -0.8168 -0.8060 -0.2078 -0.2032 0.2172 0.2235 1.1718 1.1796 1.7206 1.7298 1.7996 1.8092 10.4410 10.4451 10.6491 10.6579 10.9944 11.0004 11.8886 11.8968 k =-0.2186 0.2375 0.7282 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5635 -20.5635 -17.0071 -16.9983 -16.5922 -16.5821 -16.4518 -16.4512 -7.0438 -7.0429 -5.4341 -5.4194 -4.3782 -4.3625 -3.9615 -3.9544 -1.5617 -1.5563 -1.3222 -1.3083 -0.8251 -0.8143 -0.1989 -0.1939 0.2076 0.2140 1.1493 1.1570 1.7289 1.7379 1.7988 1.8084 10.4462 10.4506 10.6415 10.6500 11.0104 11.0156 11.8796 11.8871 k =-0.2254 0.2450 0.7181 ( 5758 PWs) bands (ev): -94.7303 -94.7303 -20.5634 -20.5634 -17.0120 -17.0033 -16.5860 -16.5759 -16.4541 -16.4535 -7.0348 -7.0339 -5.4220 -5.4072 -4.3852 -4.3692 -3.9624 -3.9544 -1.5619 -1.5554 -1.3288 -1.3142 -0.8324 -0.8216 -0.1907 -0.1854 0.1967 0.2031 1.1275 1.1351 1.7370 1.7457 1.7978 1.8074 10.4510 10.4557 10.6335 10.6417 11.0265 11.0308 11.8710 11.8778 k =-0.2323 0.2524 0.7080 ( 5756 PWs) bands (ev): -94.7303 -94.7303 -20.5635 -20.5634 -17.0166 -17.0081 -16.5797 -16.5698 -16.4563 -16.4558 -7.0269 -7.0259 -5.4093 -5.3942 -4.3925 -4.3763 -3.9638 -3.9551 -1.5630 -1.5554 -1.3321 -1.3170 -0.8386 -0.8279 -0.1835 -0.1779 0.1846 0.1911 1.1065 1.1140 1.7448 1.7532 1.7968 1.8063 10.4550 10.4600 10.6254 10.6334 11.0425 11.0460 11.8628 11.8691 k =-0.2392 0.2599 0.6978 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5636 -20.5636 -17.0208 -17.0125 -16.5735 -16.5637 -16.4586 -16.4580 -7.0199 -7.0189 -5.3959 -5.3807 -4.4000 -4.3836 -3.9658 -3.9564 -1.5650 -1.5566 -1.3320 -1.3168 -0.8438 -0.8331 -0.1773 -0.1715 0.1715 0.1781 1.0863 1.0937 1.7523 1.7602 1.7956 1.8050 10.4581 10.4635 10.6176 10.6252 11.0583 11.0609 11.8552 11.8612 k =-0.2460 0.2674 0.6877 ( 5760 PWs) bands (ev): -94.7303 -94.7303 -20.5639 -20.5638 -17.0248 -17.0166 -16.5674 -16.5577 -16.4607 -16.4602 -7.0140 -7.0129 -5.3821 -5.3667 -4.4076 -4.3910 -3.9685 -3.9584 -1.5680 -1.5591 -1.3284 -1.3135 -0.8479 -0.8374 -0.1725 -0.1665 0.1577 0.1645 1.0672 1.0743 1.7593 1.7667 1.7945 1.8038 10.4601 10.4658 10.6103 10.6177 11.0737 11.0754 11.8482 11.8542 k =-0.2529 0.2748 0.6776 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5642 -20.5641 -17.0285 -17.0204 -16.5614 -16.5519 -16.4629 -16.4623 -7.0089 -7.0078 -5.3678 -5.3523 -4.4152 -4.3985 -3.9717 -3.9610 -1.5718 -1.5628 -1.3217 -1.3073 -0.8509 -0.8408 -0.1693 -0.1631 0.1436 0.1505 1.0490 1.0560 1.7659 1.7725 1.7936 1.8026 10.4607 10.4667 10.6039 10.6110 11.0885 11.0893 11.8419 11.8482 k =-0.2598 0.2823 0.6674 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5645 -20.5645 -17.0318 -17.0240 -16.5557 -16.5463 -16.4649 -16.4643 -7.0046 -7.0035 -5.3534 -5.3378 -4.4226 -4.4058 -3.9756 -3.9643 -1.5765 -1.5675 -1.3120 -1.2984 -0.8530 -0.8432 -0.1681 -0.1618 0.1296 0.1366 1.0319 1.0388 1.7717 1.7770 1.7934 1.8016 10.4599 10.4660 10.5987 10.6055 11.1023 11.1029 11.8365 11.8433 k =-0.2666 0.2897 0.6573 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5650 -20.5649 -17.0349 -17.0272 -16.5502 -16.5410 -16.4667 -16.4661 -7.0010 -6.9999 -5.3389 -5.3232 -4.4297 -4.4130 -3.9801 -3.9682 -1.5817 -1.5728 -1.2998 -1.2872 -0.8540 -0.8447 -0.1691 -0.1629 0.1161 0.1232 1.0160 1.0227 1.7764 1.7795 1.7946 1.8013 10.4576 10.4638 10.5950 10.6013 11.1146 11.1160 11.8321 11.8395 k =-0.2735 0.2972 0.6472 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5654 -20.5654 -17.0377 -17.0302 -16.5451 -16.5360 -16.4684 -16.4676 -6.9982 -6.9970 -5.3245 -5.3087 -4.4363 -4.4197 -3.9852 -3.9727 -1.5873 -1.5786 -1.2854 -1.2739 -0.8541 -0.8454 -0.1727 -0.1668 0.1037 0.1108 1.0013 1.0078 1.7790 1.7806 1.7973 1.8021 10.4539 10.4600 10.5927 10.5985 11.1259 11.1282 11.8288 11.8370 k =-0.2804 0.3047 0.6370 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5659 -20.5658 -17.0403 -17.0329 -16.5405 -16.5315 -16.4698 -16.4689 -6.9959 -6.9947 -5.3104 -5.2946 -4.4423 -4.4260 -3.9908 -3.9779 -1.5931 -1.5847 -1.2693 -1.2590 -0.8533 -0.8453 -0.1792 -0.1737 0.0927 0.0998 0.9878 0.9942 1.7783 1.7816 1.8008 1.8045 10.4491 10.4550 10.5916 10.5969 11.1359 11.1392 11.8266 11.8358 k =-0.2872 0.3121 0.6269 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5664 -20.5663 -17.0425 -17.0353 -16.5363 -16.5275 -16.4710 -16.4698 -6.9941 -6.9929 -5.2968 -5.2810 -4.4475 -4.4315 -3.9971 -3.9837 -1.5988 -1.5907 -1.2518 -1.2428 -0.8516 -0.8443 -0.1888 -0.1837 0.0836 0.0905 0.9756 0.9819 1.7765 1.7814 1.8047 1.8081 10.4433 10.4492 10.5915 10.5963 11.1446 11.1488 11.8257 11.8358 k =-0.2941 0.3196 0.6167 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5668 -20.5668 -17.0446 -17.0374 -16.5328 -16.5241 -16.4717 -16.4703 -6.9927 -6.9915 -5.2840 -5.2682 -4.4517 -4.4361 -4.0039 -3.9900 -1.6044 -1.5966 -1.2333 -1.2256 -0.8491 -0.8426 -0.2013 -0.1970 0.0764 0.0830 0.9647 0.9710 1.7743 1.7801 1.8088 1.8120 10.4371 10.4428 10.5922 10.5965 11.1519 11.1570 11.8260 11.8370 k =-0.3010 0.3270 0.6066 ( 5781 PWs) bands (ev): -94.7303 -94.7303 -20.5673 -20.5672 -17.0463 -17.0393 -16.5300 -16.5215 -16.4720 -16.4704 -6.9917 -6.9905 -5.2720 -5.2564 -4.4547 -4.4396 -4.0112 -3.9970 -1.6098 -1.6022 -1.2142 -1.2078 -0.8456 -0.8401 -0.2166 -0.2130 0.0710 0.0774 0.9552 0.9614 1.7719 1.7782 1.8130 1.8159 10.4307 10.4363 10.5934 10.5973 11.1577 11.1637 11.8275 11.8395 k =-0.3078 0.3345 0.5965 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.5677 -20.5677 -17.0478 -17.0409 -16.5280 -16.5196 -16.4718 -16.4699 -6.9909 -6.9897 -5.2613 -5.2458 -4.4563 -4.4419 -4.0191 -4.0045 -1.6147 -1.6074 -1.1949 -1.1899 -0.8413 -0.8367 -0.2345 -0.2314 0.0673 0.0735 0.9471 0.9532 1.7692 1.7759 1.8171 1.8196 10.4245 10.4299 10.5949 10.5983 11.1620 11.1688 11.8301 11.8430 k =-0.3147 0.3419 0.5863 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5681 -20.5681 -17.0491 -17.0423 -16.5268 -16.5186 -16.4711 -16.4689 -6.9904 -6.9892 -5.2519 -5.2365 -4.4563 -4.4427 -4.0275 -4.0125 -1.6193 -1.6121 -1.1758 -1.1721 -0.8360 -0.8326 -0.2545 -0.2515 0.0651 0.0711 0.9403 0.9465 1.7665 1.7734 1.8210 1.8232 10.4187 10.4240 10.5964 10.5994 11.1649 11.1723 11.8339 11.8476 k =-0.3215 0.3494 0.5762 ( 5776 PWs) bands (ev): -94.7303 -94.7303 -20.5684 -20.5684 -17.0502 -17.0434 -16.5263 -16.5183 -16.4699 -16.4675 -6.9901 -6.9889 -5.2440 -5.2289 -4.4545 -4.4420 -4.0363 -4.0210 -1.6233 -1.6164 -1.1575 -1.1547 -0.8298 -0.8275 -0.2761 -0.2728 0.0640 0.0698 0.9350 0.9411 1.7636 1.7707 1.8247 1.8265 10.4135 10.4187 10.5978 10.6005 11.1662 11.1743 11.8387 11.8532 k =-0.3284 0.3569 0.5661 ( 5776 PWs) bands (ev): -94.7303 -94.7303 -20.5687 -20.5687 -17.0510 -17.0443 -16.5264 -16.5186 -16.4684 -16.4658 -6.9898 -6.9886 -5.2379 -5.2230 -4.4509 -4.4394 -4.0456 -4.0300 -1.6268 -1.6201 -1.1407 -1.1382 -0.8225 -0.8213 -0.2987 -0.2946 0.0638 0.0694 0.9310 0.9372 1.7607 1.7679 1.8282 1.8296 10.4090 10.4141 10.5991 10.6015 11.1661 11.1747 11.8443 11.8594 k =-0.3353 0.3643 0.5559 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5690 -20.5689 -17.0516 -17.0450 -16.5272 -16.5195 -16.4666 -16.4639 -6.9896 -6.9884 -5.2337 -5.2189 -4.4453 -4.4350 -4.0554 -4.0394 -1.6297 -1.6233 -1.1259 -1.1228 -0.8146 -0.8135 -0.3219 -0.3166 0.0643 0.0698 0.9285 0.9347 1.7578 1.7651 1.8314 1.8325 10.4055 10.4105 10.6002 10.6023 11.1647 11.1737 11.8505 11.8663 k =-0.3421 0.3718 0.5458 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -17.0519 -17.0454 -16.5284 -16.5209 -16.4647 -16.4619 -6.9895 -6.9883 -5.2314 -5.2167 -4.4377 -4.4288 -4.0654 -4.0493 -1.6321 -1.6259 -1.1134 -1.1092 -0.8060 -0.8040 -0.3448 -0.3383 0.0653 0.0707 0.9273 0.9337 1.7549 1.7622 1.8342 1.8352 10.4030 10.4079 10.6009 10.6028 11.1619 11.1713 11.8573 11.8736 k =-0.3490 0.3792 0.5357 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -17.0520 -17.0455 -16.5301 -16.5226 -16.4627 -16.4599 -6.9894 -6.9882 -5.2310 -5.2165 -4.4281 -4.4206 -4.0759 -4.0594 -1.6339 -1.6278 -1.1034 -1.0982 -0.7963 -0.7932 -0.3671 -0.3592 0.0669 0.0721 0.9275 0.9340 1.7519 1.7594 1.8367 1.8378 10.4015 10.4063 10.6014 10.6031 11.1580 11.1677 11.8644 11.8811 k =-0.3559 0.3867 0.5255 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5692 -17.0520 -17.0454 -16.5320 -16.5245 -16.4607 -16.4579 -6.9892 -6.9881 -5.2326 -5.2181 -4.4166 -4.4105 -4.0865 -4.0699 -1.6350 -1.6292 -1.0962 -1.0899 -0.7855 -0.7814 -0.3882 -0.3787 0.0689 0.0739 0.9291 0.9356 1.7491 1.7566 1.8388 1.8402 10.4011 10.4058 10.6016 10.6032 11.1530 11.1628 11.8717 11.8887 k =-0.3559 0.3867 0.5255 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5692 -17.0520 -17.0454 -16.5320 -16.5245 -16.4607 -16.4579 -6.9892 -6.9881 -5.2326 -5.2181 -4.4166 -4.4105 -4.0865 -4.0699 -1.6350 -1.6292 -1.0962 -1.0899 -0.7855 -0.7814 -0.3882 -0.3787 0.0689 0.0739 0.9291 0.9356 1.7491 1.7566 1.8388 1.8402 10.4011 10.4058 10.6016 10.6032 11.1530 11.1628 11.8717 11.8887 k =-0.3487 0.3790 0.5150 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5714 -20.5714 -17.0442 -17.0374 -16.5351 -16.5274 -16.4591 -16.4562 -7.0148 -7.0137 -5.2271 -5.2123 -4.4366 -4.4303 -4.0817 -4.0648 -1.6442 -1.6383 -1.0981 -1.0921 -0.7623 -0.7584 -0.3704 -0.3607 0.1002 0.1053 0.9457 0.9525 1.7345 1.7421 1.8322 1.8336 10.3810 10.3864 10.5940 10.5957 11.1544 11.1650 11.8859 11.9036 k =-0.3416 0.3712 0.5045 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5738 -20.5738 -17.0360 -17.0290 -16.5381 -16.5301 -16.4575 -16.4545 -7.0418 -7.0406 -5.2211 -5.2062 -4.4569 -4.4504 -4.0774 -4.0602 -1.6510 -1.6449 -1.0985 -1.0928 -0.7384 -0.7345 -0.3530 -0.3432 0.1285 0.1336 0.9631 0.9701 1.7199 1.7275 1.8256 1.8270 10.3615 10.3675 10.5861 10.5879 11.1549 11.1662 11.8984 11.9169 k =-0.3345 0.3635 0.4940 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5764 -20.5764 -17.0273 -17.0201 -16.5409 -16.5327 -16.4559 -16.4527 -7.0700 -7.0688 -5.2147 -5.1996 -4.4776 -4.4709 -4.0736 -4.0562 -1.6553 -1.6491 -1.0973 -1.0918 -0.7138 -0.7100 -0.3361 -0.3261 0.1537 0.1589 0.9813 0.9885 1.7055 1.7131 1.8191 1.8205 10.3425 10.3493 10.5779 10.5799 11.1546 11.1667 11.9089 11.9282 k =-0.3274 0.3558 0.4835 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5793 -20.5793 -17.0183 -17.0108 -16.5434 -16.5350 -16.4542 -16.4509 -7.0995 -7.0983 -5.2081 -5.1928 -4.4986 -4.4917 -4.0705 -4.0529 -1.6572 -1.6508 -1.0944 -1.0892 -0.6887 -0.6848 -0.3198 -0.3095 0.1756 0.1809 1.0002 1.0074 1.6915 1.6990 1.8127 1.8141 10.3241 10.3317 10.5692 10.5714 11.1533 11.1662 11.9173 11.9372 k =-0.3203 0.3480 0.4730 ( 5776 PWs) bands (ev): -94.7303 -94.7303 -20.5824 -20.5824 -17.0087 -17.0010 -16.5458 -16.5371 -16.4526 -16.4492 -7.1300 -7.1288 -5.2012 -5.1858 -4.5197 -4.5126 -4.0681 -4.0504 -1.6568 -1.6503 -1.0898 -1.0848 -0.6632 -0.6592 -0.3040 -0.2935 0.1943 0.1997 1.0195 1.0268 1.6779 1.6853 1.8064 1.8078 10.3065 10.3147 10.5601 10.5625 11.1511 11.1648 11.9231 11.9438 k =-0.3132 0.3403 0.4625 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5858 -20.5858 -16.9988 -16.9909 -16.5478 -16.5390 -16.4509 -16.4473 -7.1616 -7.1604 -5.1941 -5.1787 -4.5410 -4.5338 -4.0664 -4.0485 -1.6541 -1.6475 -1.0833 -1.0785 -0.6372 -0.6331 -0.2887 -0.2779 0.2097 0.2153 1.0391 1.0464 1.6650 1.6722 1.8004 1.8018 10.2895 10.2985 10.5505 10.5532 11.1479 11.1624 11.9261 11.9475 k =-0.3060 0.3326 0.4519 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5895 -20.5894 -16.9884 -16.9803 -16.5497 -16.5406 -16.4492 -16.4455 -7.1942 -7.1930 -5.1870 -5.1715 -4.5624 -4.5549 -4.0654 -4.0475 -1.6493 -1.6426 -1.0749 -1.0703 -0.6110 -0.6067 -0.2740 -0.2629 0.2220 0.2277 1.0587 1.0660 1.6530 1.6599 1.7946 1.7959 10.2732 10.2830 10.5403 10.5434 11.1438 11.1592 11.9262 11.9483 k =-0.2989 0.3248 0.4414 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5934 -20.5934 -16.9775 -16.9693 -16.5512 -16.5420 -16.4475 -16.4437 -7.2275 -7.2263 -5.1798 -5.1643 -4.5837 -4.5762 -4.0652 -4.0472 -1.6425 -1.6357 -1.0646 -1.0601 -0.5847 -0.5801 -0.2599 -0.2484 0.2313 0.2372 1.0780 1.0851 1.6421 1.6486 1.7891 1.7904 10.2575 10.2680 10.5297 10.5331 11.1387 11.1549 11.9230 11.9458 k =-0.2918 0.3171 0.4309 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5976 -20.5975 -16.9662 -16.9578 -16.5525 -16.5431 -16.4458 -16.4419 -7.2617 -7.2605 -5.1727 -5.1571 -4.6051 -4.5973 -4.0658 -4.0478 -1.6339 -1.6270 -1.0521 -1.0478 -0.5584 -0.5534 -0.2464 -0.2345 0.2378 0.2440 1.0967 1.1036 1.6324 1.6384 1.7839 1.7852 10.2423 10.2536 10.5185 10.5222 11.1326 11.1497 11.9165 11.9401 k =-0.2847 0.3094 0.4204 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.6020 -20.6020 -16.9545 -16.9460 -16.5534 -16.5440 -16.4441 -16.4401 -7.2965 -7.2953 -5.1656 -5.1501 -4.6263 -4.6184 -4.0672 -4.0491 -1.6236 -1.6166 -1.0375 -1.0333 -0.5323 -0.5269 -0.2335 -0.2211 0.2417 0.2482 1.1144 1.1209 1.6242 1.6297 1.7790 1.7803 10.2276 10.2395 10.5070 10.5109 11.1255 11.1435 11.9066 11.9308 k =-0.2776 0.3016 0.4099 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.6067 -20.6067 -16.9424 -16.9337 -16.5541 -16.5445 -16.4424 -16.4384 -7.3318 -7.3307 -5.1587 -5.1432 -4.6473 -4.6393 -4.0694 -4.0514 -1.6117 -1.6047 -1.0206 -1.0166 -0.5066 -0.5008 -0.2211 -0.2082 0.2435 0.2503 1.1307 1.1367 1.6176 1.6225 1.7746 1.7759 10.2131 10.2256 10.4951 10.4993 11.1174 11.1364 11.8932 11.9181 k =-0.2705 0.2939 0.3994 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.6117 -20.6116 -16.9299 -16.9210 -16.5545 -16.5448 -16.4408 -16.4366 -7.3677 -7.3666 -5.1520 -5.1365 -4.6681 -4.6600 -4.0725 -4.0545 -1.5986 -1.5915 -1.0015 -0.9976 -0.4815 -0.4752 -0.2092 -0.1957 0.2434 0.2505 1.1452 1.1507 1.6129 1.6171 1.7706 1.7718 10.1985 10.2115 10.4831 10.4873 11.1083 11.1282 11.8764 11.9020 k =-0.2633 0.2862 0.3889 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.6169 -20.6168 -16.9169 -16.9080 -16.5546 -16.5447 -16.4391 -16.4349 -7.4039 -7.4028 -5.1454 -5.1301 -4.6887 -4.6805 -4.0764 -4.0585 -1.5843 -1.5772 -0.9801 -0.9763 -0.4573 -0.4506 -0.1976 -0.1835 0.2419 0.2492 1.1575 1.1624 1.6101 1.6135 1.7672 1.7683 10.1835 10.1968 10.4712 10.4752 11.0982 11.1191 11.8563 11.8825 k =-0.2562 0.2784 0.3784 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.6223 -20.6223 -16.9036 -16.8945 -16.5544 -16.5444 -16.4375 -16.4332 -7.4404 -7.4393 -5.1391 -5.1238 -4.7089 -4.7006 -4.0812 -4.0633 -1.5691 -1.5620 -0.9564 -0.9526 -0.4345 -0.4273 -0.1860 -0.1713 0.2392 0.2467 1.1675 1.1716 1.6093 1.6120 1.7642 1.7653 10.1678 10.1812 10.4596 10.4633 11.0872 11.1089 11.8330 11.8598 k =-0.2491 0.2707 0.3679 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.6280 -20.6279 -16.8900 -16.8808 -16.5538 -16.5438 -16.4359 -16.4316 -7.4771 -7.4761 -5.1330 -5.1178 -4.7287 -4.7204 -4.0868 -4.0691 -1.5531 -1.5460 -0.9303 -0.9266 -0.4135 -0.4058 -0.1742 -0.1590 0.2358 0.2435 1.1749 1.1782 1.6104 1.6125 1.7618 1.7628 10.1508 10.1641 10.4487 10.4519 11.0752 11.0979 11.8067 11.8341 k =-0.2420 0.2630 0.3574 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.6338 -20.6338 -16.8760 -16.8667 -16.5530 -16.5429 -16.4344 -16.4300 -7.5139 -7.5129 -5.1272 -5.1121 -4.7481 -4.7397 -4.0933 -4.0757 -1.5365 -1.5295 -0.9019 -0.8982 -0.3948 -0.3867 -0.1616 -0.1461 0.2321 0.2400 1.1795 1.1821 1.6132 1.6149 1.7600 1.7608 10.1321 10.1449 10.4388 10.4413 11.0624 11.0858 11.7779 11.8058 k =-0.2349 0.2552 0.3468 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.6399 -20.6399 -16.8617 -16.8523 -16.5520 -16.5418 -16.4329 -16.4284 -7.5507 -7.5498 -5.1215 -5.1067 -4.7671 -4.7586 -4.1006 -4.0831 -1.5195 -1.5126 -0.8712 -0.8676 -0.3789 -0.3706 -0.1479 -0.1323 0.2283 0.2363 1.1814 1.1833 1.6175 1.6191 1.7588 1.7595 10.1111 10.1232 10.4299 10.4321 11.0487 11.0729 11.7467 11.7751 k =-0.2278 0.2475 0.3363 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6461 -20.6461 -16.8472 -16.8377 -16.5506 -16.5403 -16.4315 -16.4270 -7.5875 -7.5866 -5.1162 -5.1014 -4.7855 -4.7770 -4.1087 -4.0914 -1.5022 -1.4954 -0.8384 -0.8348 -0.3662 -0.3581 -0.1325 -0.1172 0.2249 0.2329 1.1807 1.1821 1.6228 1.6249 1.7582 1.7588 10.0874 10.0985 10.4220 10.4250 11.0342 11.0592 11.7136 11.7425 k =-0.2206 0.2398 0.3258 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6525 -20.6525 -16.8324 -16.8229 -16.5489 -16.5387 -16.4301 -16.4255 -7.6241 -7.6233 -5.1110 -5.0965 -4.8033 -4.7948 -4.1177 -4.1006 -1.4848 -1.4780 -0.8035 -0.7999 -0.3572 -0.3494 -0.1152 -0.1004 0.2220 0.2300 1.1775 1.1787 1.6292 1.6316 1.7583 1.7587 10.0604 10.0704 10.4153 10.4201 11.0192 11.0448 11.6791 11.7083 k =-0.2135 0.2320 0.3153 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6591 -20.6590 -16.8175 -16.8078 -16.5470 -16.5367 -16.4288 -16.4241 -7.6605 -7.6597 -5.1061 -5.0917 -4.8206 -4.8121 -4.1275 -4.1105 -1.4673 -1.4607 -0.7668 -0.7631 -0.3518 -0.3446 -0.0959 -0.0818 0.2198 0.2276 1.1720 1.1734 1.6362 1.6390 1.7589 1.7593 10.0301 10.0388 10.4101 10.4171 11.0036 11.0297 11.6435 11.6730 k =-0.2064 0.2243 0.3048 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6657 -20.6657 -16.8024 -16.7927 -16.5448 -16.5345 -16.4275 -16.4228 -7.6966 -7.6959 -5.1014 -5.0872 -4.8373 -4.8287 -4.1380 -4.1213 -1.4498 -1.4434 -0.7284 -0.7247 -0.3499 -0.3434 -0.0746 -0.0615 0.2184 0.2261 1.1646 1.1663 1.6437 1.6467 1.7601 1.7606 9.9963 10.0037 10.4064 10.4159 10.9877 11.0142 11.6075 11.6370 k =-0.1993 0.2165 0.2943 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.6724 -20.6724 -16.7872 -16.7774 -16.5424 -16.5320 -16.4262 -16.4216 -7.7323 -7.7316 -5.0969 -5.0830 -4.8532 -4.8447 -4.1493 -4.1328 -1.4325 -1.4262 -0.6886 -0.6849 -0.3512 -0.3454 -0.0518 -0.0397 0.2180 0.2254 1.1555 1.1575 1.6512 1.6543 1.7617 1.7625 9.9589 9.9651 10.4039 10.4161 10.9717 10.9984 11.5713 11.6009 k =-0.1922 0.2088 0.2838 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.6793 -20.6792 -16.7719 -16.7622 -16.5397 -16.5293 -16.4251 -16.4204 -7.7676 -7.7669 -5.0926 -5.0789 -4.8685 -4.8600 -4.1612 -4.1450 -1.4153 -1.4092 -0.6478 -0.6441 -0.3549 -0.3497 -0.0276 -0.0167 0.2184 0.2255 1.1450 1.1473 1.6586 1.6618 1.7637 1.7649 9.9183 9.9233 10.4025 10.4174 10.9559 10.9827 11.5354 11.5648 k =-0.1850 0.2011 0.2733 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6861 -20.6861 -16.7567 -16.7469 -16.5367 -16.5264 -16.4240 -16.4193 -7.8023 -7.8017 -5.0884 -5.0749 -4.8831 -4.8746 -4.1739 -4.1579 -1.3984 -1.3925 -0.6066 -0.6028 -0.3602 -0.3557 -0.0026 0.0073 0.2198 0.2264 1.1333 1.1359 1.6659 1.6690 1.7662 1.7677 9.8744 9.8785 10.4015 10.4192 10.9405 10.9673 11.5003 11.5293 k =-0.1779 0.1933 0.2628 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6930 -20.6930 -16.7416 -16.7318 -16.5335 -16.5232 -16.4229 -16.4183 -7.8365 -7.8359 -5.0844 -5.0712 -4.8969 -4.8885 -4.1872 -4.1714 -1.3818 -1.3761 -0.5660 -0.5621 -0.3659 -0.3620 0.0231 0.0320 0.2220 0.2281 1.1207 1.1234 1.6727 1.6757 1.7688 1.7707 9.8278 9.8311 10.4007 10.4211 10.9260 10.9528 11.4661 11.4946 k =-0.1708 0.1856 0.2522 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.6999 -20.6998 -16.7266 -16.7168 -16.5300 -16.5197 -16.4220 -16.4173 -7.8699 -7.8694 -5.0805 -5.0676 -4.9099 -4.9016 -4.2010 -4.1856 -1.3655 -1.3600 -0.5277 -0.5238 -0.3698 -0.3665 0.0492 0.0570 0.2249 0.2304 1.1072 1.1101 1.6793 1.6821 1.7716 1.7738 9.7787 9.7813 10.3995 10.4224 10.9129 10.9395 11.4332 11.4609 k =-0.1637 0.1779 0.2417 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.7067 -20.7067 -16.7118 -16.7021 -16.5262 -16.5160 -16.4210 -16.4164 -7.9026 -7.9022 -5.0768 -5.0641 -4.9222 -4.9140 -4.2154 -4.2003 -1.3496 -1.3442 -0.4958 -0.4922 -0.3676 -0.3653 0.0753 0.0821 0.2286 0.2334 1.0930 1.0960 1.6854 1.6880 1.7743 1.7768 9.7275 9.7295 10.3973 10.4226 10.9015 10.9279 11.4017 11.4285 k =-0.1566 0.1701 0.2312 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.7135 -20.7135 -16.6974 -16.6876 -16.5222 -16.5121 -16.4202 -16.4156 -7.9346 -7.9341 -5.0732 -5.0608 -4.9336 -4.9256 -4.2302 -4.2154 -1.3340 -1.3289 -0.4762 -0.4733 -0.3531 -0.3519 0.1014 0.1072 0.2329 0.2368 1.0782 1.0812 1.6912 1.6935 1.7768 1.7797 9.6747 9.6762 10.3938 10.4210 10.8924 10.9186 11.3718 11.3975 k =-0.1495 0.1624 0.2207 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.7202 -20.7202 -16.6833 -16.6736 -16.5178 -16.5078 -16.4194 -16.4149 -7.9656 -7.9652 -5.0697 -5.0576 -4.9443 -4.9364 -4.2454 -4.2310 -1.3189 -1.3140 -0.4712 -0.4691 -0.3248 -0.3236 0.1273 0.1319 0.2377 0.2407 1.0629 1.0660 1.6966 1.6988 1.7791 1.7822 9.6205 9.6218 10.3885 10.4173 10.8860 10.9119 11.3435 11.3680 k =-0.1423 0.1547 0.2102 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.7268 -20.7267 -16.6697 -16.6601 -16.5132 -16.5034 -16.4187 -16.4142 -7.9957 -7.9953 -5.0663 -5.0545 -4.9541 -4.9464 -4.2609 -4.2468 -1.3043 -1.2996 -0.4759 -0.4741 -0.2877 -0.2857 0.1527 0.1561 0.2432 0.2450 1.0473 1.0504 1.7018 1.7038 1.7810 1.7843 9.5656 9.5666 10.3813 10.4110 10.8826 10.9081 11.3169 11.3401 k =-0.1352 0.1469 0.1997 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.7332 -20.7332 -16.6566 -16.6472 -16.5082 -16.4986 -16.4180 -16.4137 -8.0248 -8.0245 -5.0630 -5.0515 -4.9632 -4.9557 -4.2767 -4.2630 -1.2901 -1.2856 -0.4851 -0.4835 -0.2462 -0.2437 0.1774 0.1796 0.2490 0.2500 1.0314 1.0344 1.7068 1.7085 1.7825 1.7859 9.5102 9.5111 10.3719 10.4020 10.8825 10.9073 11.2919 11.3137 k =-0.1281 0.1392 0.1892 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.7395 -20.7395 -16.6441 -16.6349 -16.5029 -16.4936 -16.4174 -16.4132 -8.0528 -8.0525 -5.0598 -5.0486 -4.9714 -4.9641 -4.2926 -4.2793 -1.2765 -1.2722 -0.4964 -0.4949 -0.2029 -0.2000 0.2002 0.2030 0.2540 0.2570 1.0153 1.0183 1.7115 1.7131 1.7835 1.7870 9.4548 9.4556 10.3604 10.3904 10.8855 10.9095 11.2685 11.2888 k =-0.1210 0.1315 0.1787 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.7456 -20.7456 -16.6322 -16.6233 -16.4973 -16.4884 -16.4169 -16.4127 -8.0797 -8.0794 -5.0567 -5.0458 -4.9788 -4.9718 -4.3085 -4.2957 -1.2634 -1.2594 -0.5085 -0.5070 -0.1591 -0.1558 0.2201 0.2264 0.2588 0.2659 0.9991 1.0021 1.7160 1.7174 1.7840 1.7875 9.3998 9.4006 10.3471 10.3765 10.8915 10.9145 11.2466 11.2655 k =-0.1139 0.1237 0.1682 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.7515 -20.7515 -16.6212 -16.6126 -16.4913 -16.4828 -16.4164 -16.4124 -8.1054 -8.1052 -5.0538 -5.0431 -4.9854 -4.9787 -4.3245 -4.3120 -1.2510 -1.2472 -0.5207 -0.5194 -0.1154 -0.1119 0.2366 0.2492 0.2639 0.2774 0.9829 0.9858 1.7204 1.7216 1.7840 1.7875 9.3457 9.3464 10.3323 10.3606 10.9001 10.9218 11.2263 11.2436 k =-0.1068 0.1160 0.1577 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.7572 -20.7572 -16.6109 -16.6027 -16.4851 -16.4771 -16.4159 -16.4121 -8.1299 -8.1297 -5.0509 -5.0406 -4.9913 -4.9849 -4.3402 -4.3283 -1.2391 -1.2356 -0.5327 -0.5315 -0.0725 -0.0687 0.2493 0.2681 0.2720 0.2917 0.9668 0.9695 1.7246 1.7257 1.7835 1.7870 9.2928 9.2935 10.3163 10.3432 10.9108 10.9313 11.2074 11.2233 k =-0.0996 0.1083 0.1471 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.7626 -20.7626 -16.6014 -16.5937 -16.4787 -16.4712 -16.4155 -16.4118 -8.1530 -8.1529 -5.0481 -5.0381 -4.9963 -4.9904 -4.3557 -4.3443 -1.2279 -1.2246 -0.5443 -0.5432 -0.0305 -0.0266 0.2590 0.2735 0.2925 0.3082 0.9508 0.9534 1.7286 1.7296 1.7826 1.7860 9.2415 9.2421 10.2996 10.3247 10.9232 10.9423 11.1899 11.2043 k =-0.0925 0.1005 0.1366 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.7677 -20.7677 -16.5927 -16.5856 -16.4721 -16.4651 -16.4152 -16.4116 -8.1748 -8.1747 -5.0455 -5.0359 -5.0007 -4.9951 -4.3709 -4.3600 -1.2174 -1.2143 -0.5554 -0.5543 0.0101 0.0142 0.2668 0.2785 0.3124 0.3253 0.9350 0.9375 1.7324 1.7333 1.7813 1.7846 9.1921 9.1926 10.2824 10.3058 10.9368 10.9545 11.1738 11.1868 k =-0.0854 0.0928 0.1261 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.7726 -20.7725 -16.5849 -16.5783 -16.4654 -16.4591 -16.4148 -16.4115 -8.1953 -8.1951 -5.0430 -5.0338 -5.0043 -4.9992 -4.3855 -4.3752 -1.2076 -1.2048 -0.5657 -0.5647 0.0491 0.0534 0.2736 0.2833 0.3313 0.3422 0.9196 0.9220 1.7360 1.7368 1.7797 1.7828 9.1449 9.1454 10.2653 10.2868 10.9511 10.9674 11.1591 11.1707 k =-0.0783 0.0851 0.1156 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.7771 -20.7771 -16.5779 -16.5718 -16.4588 -16.4530 -16.4145 -16.4114 -8.2142 -8.2141 -5.0407 -5.0318 -5.0073 -5.0027 -4.3996 -4.3899 -1.1986 -1.1960 -0.5753 -0.5743 0.0863 0.0907 0.2797 0.2880 0.3489 0.3584 0.9046 0.9068 1.7394 1.7400 1.7779 1.7808 9.1004 9.1008 10.2485 10.2681 10.9657 10.9806 11.1457 11.1559 k =-0.0712 0.0773 0.1051 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.7813 -20.7813 -16.5716 -16.5662 -16.4523 -16.4472 -16.4141 -16.4114 -8.2317 -8.2316 -5.0385 -5.0301 -5.0096 -5.0056 -4.4129 -4.4039 -1.1903 -1.1879 -0.5840 -0.5832 0.1215 0.1260 0.2854 0.2924 0.3652 0.3737 0.8901 0.8921 1.7426 1.7431 1.7759 1.7786 9.0586 9.0591 10.2323 10.2500 10.9801 10.9938 11.1336 11.1425 k =-0.0641 0.0696 0.0946 ( 5791 PWs) bands (ev): -94.7303 -94.7303 -20.7851 -20.7851 -16.5661 -16.5612 -16.4461 -16.4415 -16.4138 -16.4113 -8.2476 -8.2476 -5.0365 -5.0287 -5.0113 -5.0079 -4.4254 -4.4171 -1.1827 -1.1806 -0.5919 -0.5911 0.1543 0.1589 0.2907 0.2967 0.3801 0.3877 0.8762 0.8781 1.7455 1.7458 1.7738 1.7764 9.0201 9.0204 10.2171 10.2328 10.9941 11.0065 11.1229 11.1305 k =-0.0569 0.0619 0.0841 ( 5791 PWs) bands (ev): -94.7303 -94.7303 -20.7886 -20.7886 -16.5613 -16.5570 -16.4403 -16.4363 -16.4134 -16.4113 -8.2620 -8.2620 -5.0348 -5.0276 -5.0125 -5.0097 -4.4369 -4.4294 -1.1760 -1.1740 -0.5989 -0.5982 0.1847 0.1893 0.2956 0.3007 0.3937 0.4005 0.8631 0.8648 1.7481 1.7483 1.7719 1.7741 8.9848 8.9852 10.2030 10.2168 11.0072 11.0183 11.1136 11.1200 k =-0.0498 0.0541 0.0736 ( 5795 PWs) bands (ev): -94.7303 -94.7303 -20.7917 -20.7917 -16.5571 -16.5534 -16.4350 -16.4315 -16.4130 -16.4112 -8.2748 -8.2747 -5.0332 -5.0268 -5.0131 -5.0110 -4.4474 -4.4406 -1.1700 -1.1683 -0.6051 -0.6045 0.2122 0.2168 0.3002 0.3045 0.4058 0.4118 0.8509 0.8524 1.7503 1.7504 1.7700 1.7720 8.9532 8.9535 10.1902 10.2022 11.0191 11.0290 11.1059 11.1110 k =-0.0427 0.0464 0.0631 ( 5803 PWs) bands (ev): -94.7303 -94.7303 -20.7944 -20.7944 -16.5535 -16.5503 -16.4304 -16.4273 -16.4124 -16.4110 -8.2859 -8.2859 -5.0319 -5.0263 -5.0134 -5.0118 -4.4566 -4.4507 -1.1648 -1.1633 -0.6104 -0.6098 0.2367 0.2411 0.3045 0.3080 0.4163 0.4217 0.8398 0.8411 1.7521 1.7522 1.7684 1.7701 8.9254 8.9257 10.1789 10.1891 11.0294 11.0381 11.0998 11.1037 k =-0.0356 0.0387 0.0526 ( 5805 PWs) bands (ev): -94.7303 -94.7303 -20.7967 -20.7967 -16.5505 -16.5479 -16.4265 -16.4239 -16.4118 -16.4108 -8.2954 -8.2953 -5.0308 -5.0261 -5.0133 -5.0123 -4.4645 -4.4596 -1.1604 -1.1592 -0.6148 -0.6144 0.2578 0.2619 0.3087 0.3114 0.4254 0.4300 0.8299 0.8310 1.7533 1.7536 1.7672 1.7685 8.9016 8.9018 10.1693 10.1777 11.0378 11.0453 11.0955 11.0982 k =-0.0285 0.0309 0.0420 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.7986 -20.7986 -16.5480 -16.5459 -16.4234 -16.4213 -16.4110 -16.4104 -8.3032 -8.3031 -5.0298 -5.0261 -5.0131 -5.0126 -4.4711 -4.4670 -1.1567 -1.1558 -0.6184 -0.6180 0.2751 0.2787 0.3128 0.3147 0.4328 0.4367 0.8215 0.8223 1.7542 1.7546 1.7663 1.7674 8.8819 8.8820 10.1614 10.1681 11.0441 11.0502 11.0930 11.0947 k =-0.0214 0.0232 0.0315 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.8001 -20.8001 -16.5460 -16.5445 -16.4211 -16.4195 -16.4101 -16.4098 -8.3092 -8.3092 -5.0290 -5.0262 -5.0129 -5.0126 -4.4761 -4.4731 -1.1539 -1.1532 -0.6212 -0.6209 0.2881 0.2910 0.3172 0.3182 0.4388 0.4418 0.8146 0.8153 1.7546 1.7550 1.7659 1.7666 8.8664 8.8665 10.1553 10.1603 11.0483 11.0529 11.0922 11.0930 k =-0.0142 0.0155 0.0210 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.8012 -20.8012 -16.5446 -16.5435 -16.4196 -16.4185 -16.4092 -16.4092 -8.3136 -8.3136 -5.0283 -5.0265 -5.0127 -5.0126 -4.4796 -4.4776 -1.1518 -1.1514 -0.6231 -0.6229 0.2967 0.2986 0.3215 0.3218 0.4432 0.4453 0.8096 0.8100 1.7548 1.7552 1.7657 1.7662 8.8553 8.8554 10.1512 10.1545 11.0508 11.0538 11.0923 11.0926 k =-0.0071 0.0077 0.0105 ( 5793 PWs) bands (ev): -94.7303 -94.7303 -20.8018 -20.8018 -16.5436 -16.5431 -16.4187 -16.4181 -16.4087 -16.4087 -8.3162 -8.3162 -5.0278 -5.0268 -5.0125 -5.0125 -4.4816 -4.4805 -1.1505 -1.1503 -0.6243 -0.6242 0.3013 0.3023 0.3247 0.3248 0.4461 0.4471 0.8066 0.8068 1.7549 1.7551 1.7657 1.7660 8.8486 8.8487 10.1490 10.1507 11.0523 11.0538 11.0928 11.0928 k = 0.0000 0.0000 0.0000 ( 5803 PWs) bands (ev): -94.7303 -94.7303 -20.8021 -20.8021 -16.5431 -16.5431 -16.4182 -16.4182 -16.4085 -16.4085 -8.3171 -8.3171 -5.0273 -5.0273 -5.0125 -5.0125 -4.4819 -4.4819 -1.1500 -1.1500 -0.6246 -0.6246 0.3030 0.3030 0.3260 0.3260 0.4474 0.4474 0.8056 0.8056 1.7550 1.7550 1.7658 1.7658 8.8464 8.8464 10.1488 10.1488 11.0532 11.0532 11.0929 11.0929 k = 0.0000 0.0000 0.0000 ( 5803 PWs) bands (ev): -94.7303 -94.7303 -20.8021 -20.8021 -16.5431 -16.5431 -16.4182 -16.4182 -16.4085 -16.4085 -8.3171 -8.3171 -5.0273 -5.0273 -5.0125 -5.0125 -4.4819 -4.4819 -1.1500 -1.1500 -0.6246 -0.6246 0.3030 0.3030 0.3260 0.3260 0.4474 0.4474 0.8056 0.8056 1.7550 1.7550 1.7658 1.7658 8.8464 8.8464 10.1488 10.1488 11.0532 11.0532 11.0929 11.0929 k = 0.0109 0.0100 0.0000 ( 5795 PWs) bands (ev): -94.7303 -94.7303 -20.8018 -20.8018 -16.5438 -16.5438 -16.4183 -16.4183 -16.4085 -16.4085 -8.3157 -8.3157 -5.0265 -5.0265 -5.0117 -5.0117 -4.4823 -4.4823 -1.1497 -1.1497 -0.6253 -0.6253 0.3020 0.3020 0.3249 0.3249 0.4453 0.4453 0.8060 0.8060 1.7551 1.7551 1.7659 1.7659 8.8490 8.8490 10.1503 10.1503 11.0527 11.0527 11.0924 11.0924 k = 0.0217 0.0200 0.0000 ( 5767 PWs) bands (ev): -94.7303 -94.7303 -20.8010 -20.8010 -16.5458 -16.5458 -16.4185 -16.4185 -16.4088 -16.4088 -8.3115 -8.3115 -5.0241 -5.0241 -5.0093 -5.0093 -4.4836 -4.4836 -1.1488 -1.1488 -0.6273 -0.6273 0.2988 0.2988 0.3218 0.3218 0.4390 0.4390 0.8071 0.8071 1.7553 1.7553 1.7662 1.7662 8.8568 8.8568 10.1548 10.1548 11.0512 11.0512 11.0909 11.0909 k = 0.0326 0.0300 0.0000 ( 5779 PWs) bands (ev): -94.7303 -94.7303 -20.7997 -20.7997 -16.5492 -16.5492 -16.4189 -16.4189 -16.4092 -16.4092 -8.3046 -8.3046 -5.0202 -5.0202 -5.0054 -5.0054 -4.4857 -4.4857 -1.1472 -1.1472 -0.6307 -0.6307 0.2935 0.2935 0.3165 0.3165 0.4287 0.4287 0.8089 0.8089 1.7557 1.7557 1.7667 1.7667 8.8698 8.8698 10.1623 10.1623 11.0488 11.0488 11.0884 11.0884 k = 0.0435 0.0400 0.0000 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.7979 -20.7979 -16.5539 -16.5539 -16.4194 -16.4194 -16.4097 -16.4097 -8.2950 -8.2950 -5.0148 -5.0148 -4.9999 -4.9999 -4.4888 -4.4888 -1.1450 -1.1450 -0.6354 -0.6354 0.2862 0.2862 0.3091 0.3091 0.4145 0.4145 0.8112 0.8112 1.7563 1.7563 1.7674 1.7674 8.8878 8.8878 10.1727 10.1727 11.0454 11.0454 11.0849 11.0849 k = 0.0543 0.0500 0.0000 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.7956 -20.7956 -16.5600 -16.5600 -16.4201 -16.4201 -16.4104 -16.4104 -8.2827 -8.2827 -5.0078 -5.0078 -4.9929 -4.9929 -4.4927 -4.4927 -1.1422 -1.1422 -0.6414 -0.6414 0.2767 0.2767 0.2997 0.2997 0.3967 0.3967 0.8139 0.8139 1.7571 1.7571 1.7683 1.7683 8.9109 8.9109 10.1860 10.1860 11.0412 11.0412 11.0804 11.0804 k = 0.0652 0.0600 0.0000 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.7929 -20.7929 -16.5673 -16.5673 -16.4210 -16.4210 -16.4112 -16.4112 -8.2678 -8.2678 -4.9992 -4.9992 -4.9844 -4.9844 -4.4974 -4.4974 -1.1388 -1.1388 -0.6487 -0.6487 0.2651 0.2651 0.2882 0.2882 0.3753 0.3753 0.8170 0.8170 1.7581 1.7581 1.7694 1.7694 8.9388 8.9388 10.2022 10.2022 11.0360 11.0360 11.0750 11.0750 k = 0.0761 0.0700 0.0000 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.7896 -20.7896 -16.5759 -16.5759 -16.4220 -16.4220 -16.4122 -16.4122 -8.2502 -8.2502 -4.9892 -4.9892 -4.9743 -4.9743 -4.5031 -4.5031 -1.1347 -1.1347 -0.6572 -0.6572 0.2514 0.2514 0.2746 0.2746 0.3508 0.3508 0.8201 0.8201 1.7593 1.7593 1.7707 1.7707 8.9715 8.9715 10.2212 10.2212 11.0300 11.0300 11.0687 11.0687 k = 0.0870 0.0800 0.0000 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7858 -20.7858 -16.5856 -16.5856 -16.4231 -16.4231 -16.4133 -16.4133 -8.2300 -8.2300 -4.9777 -4.9777 -4.9628 -4.9628 -4.5097 -4.5097 -1.1300 -1.1300 -0.6669 -0.6669 0.2357 0.2357 0.2590 0.2590 0.3233 0.3233 0.8234 0.8234 1.7608 1.7608 1.7723 1.7723 9.0088 9.0088 10.2430 10.2430 11.0232 11.0232 11.0616 11.0616 k = 0.0978 0.0900 0.0000 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7816 -20.7816 -16.5966 -16.5966 -16.4243 -16.4243 -16.4145 -16.4145 -8.2073 -8.2073 -4.9648 -4.9648 -4.9498 -4.9498 -4.5172 -4.5172 -1.1247 -1.1247 -0.6777 -0.6777 0.2178 0.2178 0.2414 0.2414 0.2931 0.2931 0.8266 0.8266 1.7625 1.7625 1.7742 1.7742 9.0505 9.0505 10.2674 10.2674 11.0156 11.0156 11.0537 11.0537 k = 0.1087 0.1000 0.0000 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.7770 -20.7770 -16.6086 -16.6086 -16.4257 -16.4257 -16.4158 -16.4158 -8.1822 -8.1822 -4.9505 -4.9505 -4.9354 -4.9354 -4.5256 -4.5256 -1.1188 -1.1188 -0.6896 -0.6896 0.1978 0.1978 0.2219 0.2219 0.2605 0.2605 0.8297 0.8297 1.7645 1.7645 1.7763 1.7763 9.0964 9.0964 10.2945 10.2945 11.0074 11.0074 11.0451 11.0451 k = 0.1196 0.1100 0.0000 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.7719 -20.7719 -16.6217 -16.6217 -16.4272 -16.4272 -16.4173 -16.4173 -8.1546 -8.1546 -4.9348 -4.9348 -4.9197 -4.9197 -4.5349 -4.5349 -1.1122 -1.1122 -0.7025 -0.7025 0.1755 0.1755 0.2004 0.2004 0.2259 0.2259 0.8327 0.8327 1.7669 1.7669 1.7788 1.7788 9.1463 9.1463 10.3240 10.3240 10.9985 10.9985 11.0358 11.0358 k = 0.1304 0.1200 0.0000 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.7664 -20.7664 -16.6358 -16.6358 -16.4288 -16.4288 -16.4189 -16.4189 -8.1248 -8.1248 -4.9177 -4.9177 -4.9026 -4.9026 -4.5452 -4.5452 -1.1051 -1.1051 -0.7163 -0.7163 0.1507 0.1507 0.1771 0.1771 0.1898 0.1898 0.8354 0.8354 1.7695 1.7695 1.7815 1.7815 9.2000 9.2000 10.3560 10.3560 10.9890 10.9890 11.0259 11.0259 k = 0.1413 0.1300 0.0000 ( 5791 PWs) bands (ev): -94.7303 -94.7303 -20.7605 -20.7605 -16.6507 -16.6507 -16.4305 -16.4305 -16.4206 -16.4206 -8.0927 -8.0927 -4.8994 -4.8994 -4.8842 -4.8842 -4.5565 -4.5565 -1.0974 -1.0974 -0.7310 -0.7310 0.1225 0.1225 0.1520 0.1520 0.1534 0.1534 0.8378 0.8378 1.7724 1.7724 1.7845 1.7845 9.2572 9.2572 10.3903 10.3903 10.9790 10.9790 11.0154 11.0154 k = 0.1522 0.1400 0.0000 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.7543 -20.7543 -16.6666 -16.6666 -16.4323 -16.4323 -16.4224 -16.4224 -8.0585 -8.0585 -4.8799 -4.8799 -4.8646 -4.8646 -4.5688 -4.5688 -1.0891 -1.0891 -0.7464 -0.7464 0.0897 0.0897 0.1183 0.1183 0.1253 0.1253 0.8400 0.8400 1.7757 1.7757 1.7879 1.7879 9.3177 9.3177 10.4267 10.4267 10.9686 10.9686 11.0045 11.0045 k = 0.1630 0.1500 0.0000 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7477 -20.7477 -16.6832 -16.6832 -16.4342 -16.4342 -16.4242 -16.4242 -8.0222 -8.0222 -4.8592 -4.8592 -4.8438 -4.8438 -4.5820 -4.5820 -1.0802 -1.0802 -0.7626 -0.7626 0.0517 0.0517 0.0852 0.0852 0.0968 0.0968 0.8418 0.8418 1.7793 1.7793 1.7915 1.7915 9.3812 9.3812 10.4652 10.4652 10.9577 10.9577 10.9932 10.9932 k = 0.1739 0.1600 0.0000 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7408 -20.7408 -16.7005 -16.7005 -16.4362 -16.4362 -16.4262 -16.4262 -7.9839 -7.9839 -4.8374 -4.8374 -4.8219 -4.8219 -4.5962 -4.5962 -1.0709 -1.0709 -0.7793 -0.7793 0.0101 0.0101 0.0529 0.0529 0.0668 0.0668 0.8433 0.8433 1.7832 1.7832 1.7955 1.7955 9.4474 9.4474 10.5056 10.5056 10.9466 10.9466 10.9815 10.9815 k = 0.1848 0.1700 0.0000 ( 5779 PWs) bands (ev): -94.7303 -94.7303 -20.7336 -20.7336 -16.7184 -16.7184 -16.4382 -16.4382 -16.4282 -16.4282 -7.9438 -7.9438 -4.8146 -4.8146 -4.7989 -4.7989 -4.6115 -4.6115 -1.0610 -1.0610 -0.7965 -0.7965 -0.0338 -0.0338 0.0203 0.0203 0.0354 0.0354 0.8443 0.8443 1.7875 1.7875 1.7997 1.7997 9.5161 9.5161 10.5477 10.5477 10.9352 10.9352 10.9695 10.9695 k = 0.1957 0.1801 0.0000 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7261 -20.7261 -16.7368 -16.7368 -16.4403 -16.4403 -16.4303 -16.4303 -7.9020 -7.9020 -4.7908 -4.7908 -4.7749 -4.7749 -4.6277 -4.6277 -1.0507 -1.0507 -0.8142 -0.8142 -0.0791 -0.0791 -0.0130 -0.0130 0.0026 0.0026 0.8450 0.8450 1.7920 1.7920 1.8043 1.8043 9.5869 9.5869 10.5914 10.5914 10.9236 10.9236 10.9573 10.9573 k = 0.2065 0.1901 0.0000 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7184 -20.7184 -16.7557 -16.7557 -16.4424 -16.4424 -16.4324 -16.4324 -7.8585 -7.8585 -4.7663 -4.7663 -4.7501 -4.7501 -4.6448 -4.6448 -1.0400 -1.0400 -0.8321 -0.8321 -0.1252 -0.1252 -0.0472 -0.0472 -0.0314 -0.0314 0.8453 0.8453 1.7968 1.7968 1.8091 1.8091 9.6595 9.6595 10.6365 10.6365 10.9119 10.9119 10.9449 10.9449 k = 0.2174 0.2001 0.0000 ( 5771 PWs) bands (ev): -94.7303 -94.7303 -20.7105 -20.7105 -16.7749 -16.7749 -16.4446 -16.4446 -16.4346 -16.4346 -7.8136 -7.8136 -4.7412 -4.7412 -4.7244 -4.7244 -4.6628 -4.6628 -1.0290 -1.0290 -0.8502 -0.8502 -0.1719 -0.1719 -0.0824 -0.0824 -0.0665 -0.0665 0.8451 0.8451 1.8019 1.8019 1.8141 1.8141 9.7337 9.7337 10.6828 10.6828 10.9002 10.9002 10.9324 10.9324 k = 0.2283 0.2101 0.0000 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.7024 -20.7024 -16.7944 -16.7944 -16.4468 -16.4468 -16.4368 -16.4368 -7.7672 -7.7672 -4.7167 -4.7167 -4.6980 -4.6980 -4.6805 -4.6805 -1.0177 -1.0177 -0.8683 -0.8683 -0.2189 -0.2189 -0.1184 -0.1184 -0.1025 -0.1025 0.8445 0.8445 1.8073 1.8073 1.8194 1.8194 9.8090 9.8090 10.7299 10.7299 10.8889 10.8889 10.9199 10.9199 k = 0.2391 0.2201 0.0000 ( 5767 PWs) bands (ev): -94.7303 -94.7303 -20.6942 -20.6942 -16.8141 -16.8141 -16.4490 -16.4490 -16.4390 -16.4390 -7.7196 -7.7196 -4.7088 -4.7088 -4.6820 -4.6820 -4.6709 -4.6709 -1.0064 -1.0064 -0.8861 -0.8861 -0.2659 -0.2659 -0.1552 -0.1552 -0.1393 -0.1393 0.8434 0.8434 1.8129 1.8129 1.8249 1.8249 9.8852 9.8852 10.7770 10.7770 10.8783 10.8783 10.9074 10.9074 k = 0.2500 0.2301 0.0000 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.6858 -20.6858 -16.8338 -16.8338 -16.4512 -16.4512 -16.4412 -16.4412 -7.6709 -7.6709 -4.7272 -4.7272 -4.6576 -4.6576 -4.6433 -4.6433 -0.9954 -0.9954 -0.9035 -0.9035 -0.3127 -0.3127 -0.1925 -0.1925 -0.1768 -0.1768 0.8419 0.8419 1.8186 1.8186 1.8306 1.8306 9.9618 9.9618 10.8209 10.8209 10.8718 10.8718 10.8950 10.8950 k = 0.2609 0.2401 0.0000 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.6775 -20.6775 -16.8536 -16.8536 -16.4535 -16.4535 -16.4434 -16.4434 -7.6213 -7.6213 -4.7491 -4.7491 -4.6304 -4.6304 -4.6153 -4.6153 -0.9854 -0.9854 -0.9194 -0.9194 -0.3590 -0.3590 -0.2304 -0.2304 -0.2148 -0.2148 0.8400 0.8400 1.8245 1.8245 1.8364 1.8364 10.0385 10.0385 10.8405 10.8405 10.8823 10.8823 10.8905 10.8905 k = 0.2717 0.2501 0.0000 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.6690 -20.6690 -16.8733 -16.8733 -16.4557 -16.4557 -16.4456 -16.4456 -7.5708 -7.5708 -4.7724 -4.7724 -4.6024 -4.6024 -4.5870 -4.5870 -0.9787 -0.9787 -0.9318 -0.9318 -0.4046 -0.4046 -0.2685 -0.2685 -0.2532 -0.2532 0.8376 0.8376 1.8306 1.8306 1.8423 1.8423 10.1149 10.1149 10.8346 10.8346 10.8705 10.8705 10.9346 10.9346 k = 0.2826 0.2601 0.0000 ( 5763 PWs) bands (ev): -94.7303 -94.7303 -20.6607 -20.6607 -16.8927 -16.8927 -16.4579 -16.4579 -16.4478 -16.4478 -7.5197 -7.5197 -4.7968 -4.7968 -4.5742 -4.5742 -4.5584 -4.5584 -0.9800 -0.9800 -0.9359 -0.9359 -0.4493 -0.4493 -0.3068 -0.3068 -0.2916 -0.2916 0.8349 0.8349 1.8367 1.8367 1.8483 1.8483 10.1907 10.1907 10.8247 10.8247 10.8586 10.8586 10.9832 10.9832 k = 0.2935 0.2701 0.0000 ( 5747 PWs) bands (ev): -94.7303 -94.7303 -20.6523 -20.6523 -16.9120 -16.9120 -16.4600 -16.4600 -16.4499 -16.4499 -7.4682 -7.4682 -4.8220 -4.8220 -4.5458 -4.5458 -4.5298 -4.5298 -0.9902 -0.9902 -0.9308 -0.9308 -0.4928 -0.4928 -0.3451 -0.3451 -0.3301 -0.3301 0.8317 0.8317 1.8429 1.8429 1.8543 1.8543 10.2654 10.2654 10.8141 10.8141 10.8469 10.8469 11.0325 11.0325 k = 0.3043 0.2801 0.0000 ( 5747 PWs) bands (ev): -94.7303 -94.7303 -20.6441 -20.6441 -16.9308 -16.9308 -16.4621 -16.4621 -16.4520 -16.4520 -7.4164 -7.4164 -4.8482 -4.8482 -4.5175 -4.5175 -4.5013 -4.5013 -1.0042 -1.0042 -0.9218 -0.9218 -0.5349 -0.5349 -0.3831 -0.3831 -0.3683 -0.3683 0.8282 0.8282 1.8490 1.8490 1.8603 1.8603 10.3385 10.3385 10.8036 10.8036 10.8356 10.8356 11.0817 11.0817 k = 0.3152 0.2901 0.0000 ( 5739 PWs) bands (ev): -94.7303 -94.7303 -20.6360 -20.6360 -16.9492 -16.9492 -16.4642 -16.4642 -16.4541 -16.4541 -7.3645 -7.3645 -4.8750 -4.8750 -4.4894 -4.4894 -4.4730 -4.4730 -1.0192 -1.0192 -0.9117 -0.9117 -0.5752 -0.5752 -0.4208 -0.4208 -0.4061 -0.4061 0.8244 0.8244 1.8551 1.8551 1.8662 1.8662 10.4098 10.4098 10.7932 10.7932 10.8246 10.8246 11.1303 11.1303 k = 0.3261 0.3001 0.0000 ( 5747 PWs) bands (ev): -94.7303 -94.7303 -20.6280 -20.6280 -16.9671 -16.9671 -16.4662 -16.4662 -16.4561 -16.4561 -7.3127 -7.3127 -4.9026 -4.9026 -4.4616 -4.4616 -4.4450 -4.4450 -1.0342 -1.0342 -0.9019 -0.9019 -0.6133 -0.6133 -0.4578 -0.4578 -0.4433 -0.4433 0.8204 0.8204 1.8612 1.8612 1.8721 1.8721 10.4787 10.4787 10.7831 10.7831 10.8141 10.8141 11.1780 11.1780 k = 0.3370 0.3101 0.0000 ( 5739 PWs) bands (ev): -94.7303 -94.7303 -20.6203 -20.6203 -16.9844 -16.9844 -16.4681 -16.4681 -16.4580 -16.4580 -7.2614 -7.2614 -4.9306 -4.9306 -4.4343 -4.4343 -4.4176 -4.4176 -1.0487 -1.0487 -0.8930 -0.8930 -0.6488 -0.6488 -0.4941 -0.4941 -0.4797 -0.4797 0.8160 0.8160 1.8671 1.8671 1.8779 1.8779 10.5449 10.5449 10.7735 10.7735 10.8039 10.8039 11.2245 11.2245 k = 0.3478 0.3201 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.6129 -20.6129 -17.0010 -17.0010 -16.4699 -16.4699 -16.4598 -16.4598 -7.2107 -7.2107 -4.9591 -4.9591 -4.4077 -4.4077 -4.3908 -4.3908 -1.0626 -1.0626 -0.8860 -0.8860 -0.6808 -0.6808 -0.5293 -0.5293 -0.5151 -0.5151 0.8116 0.8116 1.8729 1.8729 1.8835 1.8835 10.6079 10.6079 10.7642 10.7642 10.7943 10.7943 11.2695 11.2695 k = 0.3587 0.3301 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.6058 -20.6058 -17.0168 -17.0168 -16.4717 -16.4717 -16.4616 -16.4616 -7.1609 -7.1609 -4.9877 -4.9877 -4.3820 -4.3820 -4.3648 -4.3648 -1.0757 -1.0757 -0.8819 -0.8819 -0.7084 -0.7084 -0.5633 -0.5633 -0.5492 -0.5492 0.8070 0.8070 1.8784 1.8784 1.8889 1.8889 10.6674 10.6674 10.7554 10.7554 10.7852 10.7852 11.3128 11.3128 k = 0.3696 0.3401 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5990 -20.5990 -17.0317 -17.0317 -16.4733 -16.4733 -16.4633 -16.4633 -7.1123 -7.1123 -5.0163 -5.0163 -4.3572 -4.3572 -4.3399 -4.3399 -1.0878 -1.0878 -0.8822 -0.8822 -0.7300 -0.7300 -0.5959 -0.5959 -0.5819 -0.5819 0.8023 0.8023 1.8837 1.8837 1.8940 1.8940 10.7230 10.7230 10.7472 10.7472 10.7766 10.7766 11.3540 11.3540 k = 0.3804 0.3501 0.0000 ( 5754 PWs) bands (ev): -94.7303 -94.7303 -20.5925 -20.5925 -17.0458 -17.0458 -16.4749 -16.4749 -16.4648 -16.4648 -7.0652 -7.0652 -5.0447 -5.0447 -4.3336 -4.3336 -4.3161 -4.3161 -1.0991 -1.0991 -0.8880 -0.8880 -0.7446 -0.7446 -0.6269 -0.6269 -0.6130 -0.6130 0.7977 0.7977 1.8888 1.8888 1.8989 1.8989 10.7393 10.7393 10.7672 10.7672 10.7763 10.7763 11.3929 11.3929 k = 0.3913 0.3601 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5865 -20.5865 -17.0588 -17.0588 -16.4763 -16.4763 -16.4663 -16.4663 -7.0200 -7.0200 -5.0725 -5.0725 -4.3113 -4.3113 -4.2937 -4.2937 -1.1092 -1.1092 -0.8992 -0.8992 -0.7522 -0.7522 -0.6560 -0.6560 -0.6422 -0.6422 0.7931 0.7931 1.8935 1.8935 1.9035 1.9035 10.7322 10.7322 10.7608 10.7608 10.8225 10.8225 11.4294 11.4294 k = 0.4022 0.3701 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5810 -20.5810 -17.0709 -17.0709 -16.4777 -16.4777 -16.4676 -16.4676 -6.9771 -6.9771 -5.0994 -5.0994 -4.2906 -4.2906 -4.2727 -4.2727 -1.1183 -1.1183 -0.9144 -0.9144 -0.7543 -0.7543 -0.6831 -0.6831 -0.6693 -0.6693 0.7887 0.7887 1.8979 1.8979 1.9078 1.9078 10.7257 10.7257 10.7541 10.7541 10.8653 10.8653 11.4631 11.4631 k = 0.4130 0.3801 0.0000 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5759 -20.5759 -17.0818 -17.0818 -16.4789 -16.4789 -16.4688 -16.4688 -6.9370 -6.9370 -5.1252 -5.1252 -4.2715 -4.2715 -4.2535 -4.2535 -1.1263 -1.1263 -0.9315 -0.9315 -0.7529 -0.7529 -0.7079 -0.7079 -0.6942 -0.6942 0.7846 0.7846 1.9019 1.9019 1.9117 1.9117 10.7197 10.7197 10.7479 10.7479 10.9035 10.9035 11.4938 11.4938 k = 0.4239 0.3901 0.0000 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5714 -20.5714 -17.0916 -17.0916 -16.4800 -16.4800 -16.4699 -16.4699 -6.8999 -6.8999 -5.1494 -5.1494 -4.2542 -4.2542 -4.2360 -4.2360 -1.1332 -1.1332 -0.9488 -0.9488 -0.7499 -0.7499 -0.7301 -0.7301 -0.7166 -0.7166 0.7807 0.7807 1.9055 1.9055 1.9152 1.9152 10.7144 10.7144 10.7424 10.7424 10.9372 10.9372 11.5214 11.5214 k = 0.4348 0.4001 0.0000 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5674 -20.5674 -17.1001 -17.1001 -16.4809 -16.4809 -16.4708 -16.4708 -6.8665 -6.8665 -5.1716 -5.1716 -4.2389 -4.2389 -4.2206 -4.2206 -1.1389 -1.1389 -0.9652 -0.9652 -0.7517 -0.7517 -0.7443 -0.7443 -0.7364 -0.7364 0.7772 0.7772 1.9087 1.9087 1.9182 1.9182 10.7098 10.7098 10.7377 10.7377 10.9662 10.9662 11.5457 11.5457 k = 0.4457 0.4101 0.0000 ( 5766 PWs) bands (ev): -94.7303 -94.7303 -20.5640 -20.5640 -17.1074 -17.1074 -16.4817 -16.4817 -16.4716 -16.4716 -6.8371 -6.8371 -5.1913 -5.1913 -4.2256 -4.2256 -4.2073 -4.2073 -1.1435 -1.1435 -0.9800 -0.9800 -0.7678 -0.7678 -0.7537 -0.7537 -0.7409 -0.7409 0.7741 0.7741 1.9114 1.9114 1.9209 1.9209 10.7058 10.7058 10.7336 10.7336 10.9905 10.9905 11.5665 11.5665 k = 0.4565 0.4201 0.0000 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5611 -20.5611 -17.1135 -17.1135 -16.4824 -16.4824 -16.4723 -16.4723 -6.8123 -6.8123 -5.2082 -5.2082 -4.2147 -4.2147 -4.1962 -4.1962 -1.1472 -1.1472 -0.9927 -0.9927 -0.7818 -0.7818 -0.7679 -0.7679 -0.7374 -0.7374 0.7715 0.7715 1.9137 1.9137 1.9231 1.9231 10.7026 10.7026 10.7302 10.7302 11.0104 11.0104 11.5838 11.5838 k = 0.4674 0.4301 0.0000 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5589 -20.5589 -17.1182 -17.1182 -16.4829 -16.4829 -16.4728 -16.4728 -6.7925 -6.7925 -5.2219 -5.2219 -4.2060 -4.2060 -4.1874 -4.1874 -1.1499 -1.1499 -1.0029 -1.0029 -0.7930 -0.7930 -0.7790 -0.7790 -0.7343 -0.7343 0.7694 0.7694 1.9155 1.9155 1.9248 1.9248 10.7001 10.7001 10.7276 10.7276 11.0257 11.0257 11.5973 11.5973 k = 0.4783 0.4401 0.0000 ( 5758 PWs) bands (ev): -94.7303 -94.7303 -20.5573 -20.5573 -17.1216 -17.1216 -16.4833 -16.4833 -16.4731 -16.4731 -6.7780 -6.7780 -5.2319 -5.2319 -4.1997 -4.1997 -4.1811 -4.1811 -1.1517 -1.1517 -1.0104 -1.0104 -0.8010 -0.8010 -0.7871 -0.7871 -0.7319 -0.7319 0.7679 0.7679 1.9168 1.9168 1.9260 1.9260 10.6982 10.6982 10.7257 10.7257 11.0366 11.0366 11.6070 11.6070 k = 0.4891 0.4501 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5563 -20.5563 -17.1236 -17.1236 -16.4835 -16.4835 -16.4734 -16.4734 -6.7692 -6.7692 -5.2380 -5.2380 -4.1960 -4.1960 -4.1773 -4.1773 -1.1528 -1.1528 -1.0150 -1.0150 -0.8058 -0.8058 -0.7919 -0.7919 -0.7305 -0.7305 0.7670 0.7670 1.9175 1.9175 1.9268 1.9268 10.6971 10.6971 10.7246 10.7246 11.0431 11.0431 11.6129 11.6129 k = 0.5000 0.4601 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5560 -20.5560 -17.1243 -17.1243 -16.4836 -16.4836 -16.4734 -16.4734 -6.7663 -6.7663 -5.2401 -5.2401 -4.1947 -4.1947 -4.1761 -4.1761 -1.1531 -1.1531 -1.0165 -1.0165 -0.8074 -0.8074 -0.7935 -0.7935 -0.7300 -0.7300 0.7667 0.7667 1.9178 1.9178 1.9270 1.9270 10.6968 10.6968 10.7242 10.7242 11.0453 11.0453 11.6148 11.6148 k = 0.5000 0.4601 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5560 -20.5560 -17.1243 -17.1243 -16.4836 -16.4836 -16.4734 -16.4734 -6.7663 -6.7663 -5.2401 -5.2401 -4.1947 -4.1947 -4.1761 -4.1761 -1.1531 -1.1531 -1.0165 -1.0165 -0.8074 -0.8074 -0.7935 -0.7935 -0.7300 -0.7300 0.7667 0.7667 1.9178 1.9178 1.9270 1.9270 10.6968 10.6968 10.7242 10.7242 11.0453 11.0453 11.6148 11.6148 k = 0.4931 0.4676 0.0101 ( 5748 PWs) bands (ev): -94.7303 -94.7303 -20.5560 -20.5560 -17.1243 -17.1240 -16.4838 -16.4834 -16.4735 -16.4735 -6.7667 -6.7666 -5.2408 -5.2397 -4.1953 -4.1943 -4.1763 -4.1760 -1.1572 -1.1560 -1.0207 -1.0170 -0.8125 -0.8085 -0.7930 -0.7913 -0.7217 -0.7200 0.7669 0.7672 1.9173 1.9177 1.9266 1.9268 10.6956 10.6964 10.7231 10.7236 11.0458 11.0462 11.6153 11.6161 k = 0.4863 0.4750 0.0203 ( 5758 PWs) bands (ev): -94.7303 -94.7303 -20.5561 -20.5561 -17.1240 -17.1233 -16.4842 -16.4834 -16.4737 -16.4736 -6.7678 -6.7677 -5.2418 -5.2397 -4.1962 -4.1944 -4.1766 -4.1758 -1.1682 -1.1663 -1.0273 -1.0211 -0.8262 -0.8220 -0.7817 -0.7768 -0.7005 -0.6979 0.7679 0.7686 1.9161 1.9169 1.9255 1.9260 10.6930 10.6945 10.7206 10.7215 11.0477 11.0484 11.6174 11.6191 k = 0.4794 0.4825 0.0304 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5561 -20.5561 -17.1233 -17.1223 -16.4848 -16.4835 -16.4739 -16.4738 -6.7698 -6.7696 -5.2430 -5.2399 -4.1977 -4.1954 -4.1767 -4.1750 -1.1859 -1.1838 -1.0330 -1.0258 -0.8436 -0.8395 -0.7626 -0.7556 -0.6723 -0.6692 0.7697 0.7707 1.9142 1.9155 1.9239 1.9246 10.6888 10.6910 10.7167 10.7181 11.0508 11.0519 11.6212 11.6238 k = 0.4725 0.4900 0.0405 ( 5754 PWs) bands (ev): -94.7303 -94.7303 -20.5562 -20.5562 -17.1223 -17.1210 -16.4856 -16.4838 -16.4742 -16.4740 -6.7725 -6.7722 -5.2445 -5.2403 -4.2003 -4.1978 -4.1761 -4.1732 -1.2094 -1.2073 -1.0361 -1.0291 -0.8616 -0.8574 -0.7400 -0.7320 -0.6393 -0.6358 0.7722 0.7736 1.9116 1.9133 1.9217 1.9227 10.6830 10.6858 10.7118 10.7134 11.0551 11.0566 11.6266 11.6301 k = 0.4657 0.4974 0.0507 ( 5748 PWs) bands (ev): -94.7303 -94.7303 -20.5563 -20.5563 -17.1210 -17.1193 -16.4867 -16.4844 -16.4744 -16.4740 -6.7760 -6.7757 -5.2461 -5.2410 -4.2044 -4.2019 -4.1744 -4.1701 -1.2372 -1.2352 -1.0365 -1.0301 -0.8791 -0.8748 -0.7164 -0.7078 -0.6025 -0.5986 0.7756 0.7773 1.9081 1.9104 1.9191 1.9202 10.6755 10.6786 10.7062 10.7079 11.0604 11.0622 11.6337 11.6381 k = 0.4588 0.5049 0.0608 ( 5748 PWs) bands (ev): -94.7303 -94.7303 -20.5565 -20.5564 -17.1193 -17.1173 -16.4881 -16.4853 -16.4745 -16.4739 -6.7805 -6.7800 -5.2478 -5.2417 -4.2100 -4.2073 -4.1717 -4.1661 -1.2679 -1.2656 -1.0350 -1.0290 -0.8956 -0.8911 -0.6928 -0.6840 -0.5626 -0.5583 0.7797 0.7818 1.9038 1.9067 1.9161 1.9173 10.6663 10.6694 10.7003 10.7018 11.0665 11.0686 11.6423 11.6475 k = 0.4520 0.5123 0.0710 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5566 -20.5566 -17.1173 -17.1150 -16.4898 -16.4866 -16.4744 -16.4737 -6.7858 -6.7854 -5.2495 -5.2425 -4.2169 -4.2141 -4.1682 -4.1613 -1.3000 -1.2973 -1.0325 -1.0265 -0.9107 -0.9058 -0.6696 -0.6607 -0.5202 -0.5157 0.7845 0.7870 1.8987 1.9021 1.9128 1.9141 10.6553 10.6583 10.6942 10.6953 11.0732 11.0757 11.6523 11.6584 k = 0.4451 0.5198 0.0811 ( 5750 PWs) bands (ev): -94.7303 -94.7303 -20.5569 -20.5569 -17.1150 -17.1123 -16.4918 -16.4882 -16.4742 -16.4733 -6.7922 -6.7917 -5.2511 -5.2433 -4.2252 -4.2222 -4.1638 -4.1558 -1.3326 -1.3295 -1.0299 -1.0232 -0.9238 -0.9181 -0.6469 -0.6380 -0.4763 -0.4715 0.7901 0.7929 1.8926 1.8966 1.9091 1.9105 10.6426 10.6454 10.6880 10.6887 11.0804 11.0832 11.6637 11.6707 k = 0.4382 0.5273 0.0912 ( 5744 PWs) bands (ev): -94.7303 -94.7303 -20.5572 -20.5572 -17.1123 -17.1093 -16.4941 -16.4902 -16.4738 -16.4727 -6.7996 -6.7990 -5.2525 -5.2439 -4.2346 -4.2314 -4.1588 -4.1497 -1.3649 -1.3615 -1.0283 -1.0204 -0.9340 -0.9272 -0.6247 -0.6158 -0.4312 -0.4263 0.7965 0.7996 1.8858 1.8901 1.9052 1.9066 10.6285 10.6310 10.6817 10.6821 11.0877 11.0909 11.6764 11.6843 k = 0.4314 0.5347 0.1014 ( 5742 PWs) bands (ev): -94.7303 -94.7303 -20.5576 -20.5575 -17.1092 -17.1059 -16.4967 -16.4924 -16.4732 -16.4720 -6.8082 -6.8075 -5.2537 -5.2443 -4.2451 -4.2416 -4.1533 -4.1433 -1.3965 -1.3928 -1.0287 -1.0195 -0.9400 -0.9320 -0.6029 -0.5940 -0.3855 -0.3804 0.8035 0.8069 1.8780 1.8828 1.9010 1.9023 10.6130 10.6152 10.6753 10.6754 11.0952 11.0988 11.6903 11.6989 k = 0.4245 0.5422 0.1115 ( 5748 PWs) bands (ev): -94.7303 -94.7303 -20.5580 -20.5580 -17.1059 -17.1022 -16.4995 -16.4949 -16.4725 -16.4711 -6.8179 -6.8172 -5.2545 -5.2445 -4.2566 -4.2529 -4.1475 -4.1365 -1.4271 -1.4231 -1.0319 -1.0218 -0.9405 -0.9320 -0.5815 -0.5727 -0.3395 -0.3344 0.8113 0.8150 1.8695 1.8747 1.8964 1.8978 10.5964 10.5983 10.6686 10.6690 11.1026 11.1067 11.7052 11.7146 k = 0.4176 0.5496 0.1216 ( 5748 PWs) bands (ev): -94.7303 -94.7303 -20.5585 -20.5585 -17.1021 -17.0982 -16.5025 -16.4975 -16.4717 -16.4702 -6.8289 -6.8281 -5.2549 -5.2442 -4.2691 -4.2652 -4.1413 -4.1295 -1.4564 -1.4521 -1.0375 -1.0274 -0.9356 -0.9274 -0.5606 -0.5517 -0.2937 -0.2885 0.8198 0.8238 1.8602 1.8657 1.8916 1.8930 10.5789 10.5804 10.6620 10.6626 11.1099 11.1144 11.7209 11.7312 k = 0.4108 0.5571 0.1318 ( 5756 PWs) bands (ev): -94.7303 -94.7303 -20.5592 -20.5591 -17.0980 -17.0938 -16.5056 -16.5004 -16.4708 -16.4691 -6.8411 -6.8403 -5.2548 -5.2435 -4.2825 -4.2784 -4.1349 -4.1224 -1.4841 -1.4796 -1.0448 -1.0351 -0.9265 -0.9189 -0.5400 -0.5310 -0.2483 -0.2431 0.8290 0.8333 1.8501 1.8560 1.8865 1.8879 10.5605 10.5618 10.6553 10.6562 11.1168 11.1218 11.7374 11.7485 k = 0.4039 0.5646 0.1419 ( 5760 PWs) bands (ev): -94.7303 -94.7303 -20.5599 -20.5599 -17.0936 -17.0890 -16.5089 -16.5033 -16.4698 -16.4679 -6.8548 -6.8539 -5.2541 -5.2423 -4.2968 -4.2924 -4.1285 -4.1152 -1.5101 -1.5054 -1.0529 -1.0439 -0.9143 -0.9074 -0.5197 -0.5108 -0.2035 -0.1983 0.8389 0.8435 1.8394 1.8456 1.8811 1.8825 10.5414 10.5427 10.6487 10.6498 11.1234 11.1289 11.7544 11.7663 k = 0.3970 0.5720 0.1520 ( 5760 PWs) bands (ev): -94.7303 -94.7303 -20.5608 -20.5608 -17.0888 -17.0839 -16.5122 -16.5063 -16.4687 -16.4667 -6.8697 -6.8688 -5.2529 -5.2405 -4.3119 -4.3073 -4.1219 -4.1080 -1.5342 -1.5293 -1.0612 -1.0527 -0.8999 -0.8937 -0.4998 -0.4908 -0.1597 -0.1546 0.8495 0.8544 1.8280 1.8344 1.8756 1.8769 10.5218 10.5233 10.6422 10.6433 11.1295 11.1355 11.7718 11.7844 k = 0.3902 0.5795 0.1622 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5618 -20.5618 -17.0836 -17.0784 -16.5156 -16.5094 -16.4675 -16.4654 -6.8861 -6.8852 -5.2510 -5.2382 -4.3278 -4.3229 -4.1155 -4.1010 -1.5564 -1.5514 -1.0692 -1.0612 -0.8838 -0.8782 -0.4803 -0.4712 -0.1172 -0.1120 0.8609 0.8661 1.8159 1.8226 1.8698 1.8711 10.5017 10.5036 10.6356 10.6368 11.1350 11.1417 11.7893 11.8027 k = 0.3833 0.5869 0.1723 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5629 -20.5629 -17.0780 -17.0726 -16.5190 -16.5125 -16.4663 -16.4640 -6.9040 -6.9029 -5.2486 -5.2353 -4.3444 -4.3392 -4.1092 -4.0942 -1.5765 -1.5713 -1.0766 -1.0690 -0.8663 -0.8611 -0.4611 -0.4520 -0.0761 -0.0709 0.8729 0.8784 1.8033 1.8103 1.8638 1.8652 10.4815 10.4838 10.6290 10.6303 11.1400 11.1472 11.8068 11.8209 k = 0.3765 0.5944 0.1824 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5642 -20.5642 -17.0721 -17.0664 -16.5223 -16.5156 -16.4649 -16.4626 -6.9232 -6.9221 -5.2454 -5.2318 -4.3616 -4.3562 -4.1030 -4.0876 -1.5945 -1.5891 -1.0831 -1.0759 -0.8476 -0.8428 -0.4423 -0.4331 -0.0367 -0.0316 0.8858 0.8916 1.7903 1.7974 1.8577 1.8591 10.4612 10.4640 10.6223 10.6237 11.1443 11.1522 11.8241 11.8389 k = 0.3696 0.6018 0.1926 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5657 -20.5657 -17.0658 -17.0598 -16.5256 -16.5187 -16.4636 -16.4611 -6.9438 -6.9427 -5.2417 -5.2278 -4.3794 -4.3738 -4.0972 -4.0813 -1.6103 -1.6048 -1.0886 -1.0818 -0.8278 -0.8233 -0.4239 -0.4146 0.0008 0.0059 0.8994 0.9055 1.7768 1.7841 1.8514 1.8528 10.4409 10.4444 10.6156 10.6170 11.1479 11.1564 11.8408 11.8564 k = 0.3627 0.6093 0.2027 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5674 -20.5674 -17.0591 -17.0528 -16.5289 -16.5216 -16.4622 -16.4595 -6.9659 -6.9647 -5.2374 -5.2232 -4.3978 -4.3919 -4.0917 -4.0754 -1.6238 -1.6181 -1.0930 -1.0865 -0.8070 -0.8028 -0.4058 -0.3965 0.0360 0.0411 0.9139 0.9201 1.7630 1.7705 1.8451 1.8465 10.4209 10.4249 10.6087 10.6102 11.1509 11.1600 11.8567 11.8730 k = 0.3559 0.6168 0.2129 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5692 -17.0520 -17.0454 -16.5320 -16.5245 -16.4607 -16.4579 -6.9892 -6.9881 -5.2326 -5.2181 -4.4166 -4.4105 -4.0865 -4.0699 -1.6350 -1.6292 -1.0962 -1.0899 -0.7855 -0.7814 -0.3882 -0.3787 0.0689 0.0739 0.9291 0.9356 1.7491 1.7566 1.8388 1.8402 10.4011 10.4058 10.6016 10.6032 11.1530 11.1628 11.8717 11.8887 k = 0.3559 0.6168 0.2129 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5692 -17.0520 -17.0454 -16.5320 -16.5245 -16.4607 -16.4579 -6.9892 -6.9881 -5.2326 -5.2181 -4.4166 -4.4105 -4.0865 -4.0699 -1.6350 -1.6292 -1.0962 -1.0899 -0.7855 -0.7814 -0.3882 -0.3787 0.0689 0.0739 0.9291 0.9356 1.7491 1.7566 1.8388 1.8402 10.4011 10.4058 10.6016 10.6032 11.1530 11.1628 11.8717 11.8887 k = 0.3432 0.6127 0.2184 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5705 -20.5705 -17.0476 -17.0410 -16.5336 -16.5260 -16.4599 -16.4570 -7.0039 -7.0027 -5.2287 -5.2141 -4.4275 -4.4213 -4.0845 -4.0677 -1.6398 -1.6339 -1.0970 -1.0909 -0.7728 -0.7689 -0.3792 -0.3696 0.0864 0.0915 0.9382 0.9449 1.7413 1.7489 1.8351 1.8365 10.3906 10.3957 10.5970 10.5990 11.1540 11.1642 11.8782 11.8956 k = 0.3304 0.6085 0.2240 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5720 -20.5720 -17.0428 -17.0360 -16.5350 -16.5273 -16.4590 -16.4560 -7.0212 -7.0201 -5.2229 -5.2082 -4.4391 -4.4327 -4.0839 -4.0669 -1.6430 -1.6370 -1.0968 -1.0909 -0.7590 -0.7552 -0.3713 -0.3615 0.1040 0.1092 0.9485 0.9552 1.7337 1.7413 1.8312 1.8327 10.3806 10.3861 10.5912 10.5942 11.1550 11.1657 11.8817 11.8995 k = 0.3177 0.6044 0.2296 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5739 -20.5738 -17.0374 -17.0305 -16.5361 -16.5283 -16.4581 -16.4550 -7.0410 -7.0398 -5.2152 -5.2004 -4.4513 -4.4446 -4.0845 -4.0675 -1.6447 -1.6388 -1.0956 -1.0898 -0.7442 -0.7403 -0.3646 -0.3546 0.1216 0.1269 0.9597 0.9666 1.7263 1.7339 1.8270 1.8288 10.3712 10.3770 10.5847 10.5886 11.1563 11.1675 11.8825 11.9006 k = 0.3050 0.6003 0.2352 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5759 -20.5759 -17.0316 -17.0246 -16.5370 -16.5291 -16.4571 -16.4540 -7.0629 -7.0616 -5.2058 -5.1911 -4.4639 -4.4569 -4.0864 -4.0692 -1.6452 -1.6393 -1.0935 -1.0879 -0.7283 -0.7245 -0.3592 -0.3488 0.1389 0.1443 0.9721 0.9790 1.7191 1.7267 1.8226 1.8246 10.3623 10.3684 10.5774 10.5823 11.1579 11.1698 11.8804 11.8989 k = 0.2923 0.5962 0.2408 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5782 -20.5782 -17.0254 -17.0184 -16.5377 -16.5296 -16.4562 -16.4529 -7.0865 -7.0853 -5.1951 -5.1804 -4.4767 -4.4694 -4.0895 -4.0722 -1.6446 -1.6386 -1.0907 -1.0851 -0.7115 -0.7077 -0.3550 -0.3442 0.1558 0.1614 0.9853 0.9923 1.7123 1.7199 1.8181 1.8204 10.3537 10.3602 10.5696 10.5753 11.1600 11.1725 11.8757 11.8945 k = 0.2796 0.5921 0.2464 ( 5796 PWs) bands (ev): -94.7303 -94.7303 -20.5807 -20.5806 -17.0190 -17.0120 -16.5381 -16.5300 -16.4552 -16.4519 -7.1117 -7.1104 -5.1832 -5.1685 -4.4895 -4.4818 -4.0937 -4.0763 -1.6429 -1.6370 -1.0871 -1.0817 -0.6938 -0.6900 -0.3520 -0.3407 0.1720 0.1779 0.9995 1.0065 1.7059 1.7135 1.8134 1.8161 10.3454 10.3521 10.5615 10.5680 11.1626 11.1757 11.8684 11.8876 k = 0.2669 0.5880 0.2519 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.5833 -20.5832 -17.0124 -17.0053 -16.5382 -16.5300 -16.4542 -16.4508 -7.1380 -7.1367 -5.1704 -5.1559 -4.5022 -4.4940 -4.0990 -4.0815 -1.6402 -1.6344 -1.0830 -1.0776 -0.6756 -0.6716 -0.3500 -0.3382 0.1874 0.1936 1.0143 1.0214 1.7001 1.7076 1.8087 1.8118 10.3373 10.3441 10.5534 10.5605 11.1659 11.1796 11.8588 11.8782 k = 0.2542 0.5839 0.2575 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5860 -20.5860 -17.0056 -16.9986 -16.5380 -16.5298 -16.4533 -16.4498 -7.1652 -7.1639 -5.1570 -5.1426 -4.5144 -4.5058 -4.1053 -4.0877 -1.6367 -1.6310 -1.0783 -1.0730 -0.6569 -0.6527 -0.3489 -0.3364 0.2017 0.2082 1.0299 1.0369 1.6948 1.7023 1.8041 1.8075 10.3291 10.3360 10.5455 10.5530 11.1698 11.1841 11.8469 11.8667 k = 0.2415 0.5798 0.2631 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5889 -20.5888 -16.9988 -16.9918 -16.5375 -16.5294 -16.4524 -16.4488 -7.1929 -7.1916 -5.1431 -5.1290 -4.5261 -4.5170 -4.1124 -4.0949 -1.6326 -1.6269 -1.0731 -1.0679 -0.6382 -0.6337 -0.3482 -0.3350 0.2148 0.2216 1.0458 1.0529 1.6902 1.6975 1.7995 1.8033 10.3207 10.3276 10.5381 10.5459 11.1744 11.1892 11.8330 11.8531 k = 0.2288 0.5757 0.2687 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5918 -20.5917 -16.9919 -16.9850 -16.5368 -16.5287 -16.4515 -16.4478 -7.2209 -7.2196 -5.1292 -5.1153 -4.5369 -4.5274 -4.1205 -4.1030 -1.6278 -1.6223 -1.0675 -1.0624 -0.6198 -0.6149 -0.3477 -0.3337 0.2264 0.2335 1.0621 1.0691 1.6862 1.6935 1.7951 1.7993 10.3120 10.3187 10.5316 10.5393 11.1796 11.1950 11.8174 11.8377 k = 0.2161 0.5716 0.2743 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5947 -20.5947 -16.9852 -16.9783 -16.5358 -16.5277 -16.4507 -16.4469 -7.2489 -7.2476 -5.1154 -5.1018 -4.5467 -4.5367 -4.1294 -4.1119 -1.6225 -1.6172 -1.0616 -1.0564 -0.6023 -0.5970 -0.3466 -0.3318 0.2363 0.2437 1.0786 1.0855 1.6828 1.6901 1.7909 1.7956 10.3028 10.3092 10.5260 10.5337 11.1855 11.2014 11.8002 11.8207 k = 0.2033 0.5675 0.2799 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5977 -20.5976 -16.9785 -16.9718 -16.5346 -16.5265 -16.4499 -16.4460 -7.2766 -7.2753 -5.1020 -5.0888 -4.5552 -4.5448 -4.1390 -4.1216 -1.6169 -1.6117 -1.0552 -1.0501 -0.5864 -0.5805 -0.3444 -0.3288 0.2445 0.2521 1.0951 1.1018 1.6801 1.6872 1.7871 1.7922 10.2930 10.2990 10.5217 10.5290 11.1920 11.2083 11.7818 11.8024 k = 0.1906 0.5634 0.2854 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.6006 -20.6006 -16.9720 -16.9656 -16.5330 -16.5252 -16.4492 -16.4453 -7.3038 -7.3026 -5.0893 -5.0765 -4.5622 -4.5514 -4.1493 -4.1319 -1.6110 -1.6060 -1.0485 -1.0435 -0.5728 -0.5665 -0.3400 -0.3238 0.2507 0.2586 1.1114 1.1180 1.6779 1.6850 1.7838 1.7893 10.2826 10.2882 10.5187 10.5256 11.1992 11.2158 11.7622 11.7829 k = 0.1779 0.5592 0.2910 ( 5777 PWs) bands (ev): -94.7303 -94.7303 -20.6035 -20.6035 -16.9658 -16.9596 -16.5313 -16.5236 -16.4485 -16.4446 -7.3303 -7.3291 -5.0773 -5.0651 -4.5676 -4.5564 -4.1602 -4.1430 -1.6049 -1.6001 -1.0415 -1.0365 -0.5621 -0.5555 -0.3329 -0.3163 0.2548 0.2630 1.1274 1.1338 1.6761 1.6831 1.7812 1.7870 10.2717 10.2767 10.5169 10.5233 11.2068 11.2238 11.7419 11.7627 k = 0.1652 0.5551 0.2966 ( 5787 PWs) bands (ev): -94.7303 -94.7303 -20.6063 -20.6063 -16.9598 -16.9539 -16.5294 -16.5219 -16.4479 -16.4440 -7.3558 -7.3547 -5.0664 -5.0548 -4.5712 -4.5596 -4.1716 -4.1546 -1.5988 -1.5942 -1.0342 -1.0293 -0.5548 -0.5482 -0.3223 -0.3057 0.2569 0.2653 1.1430 1.1491 1.6747 1.6816 1.7792 1.7853 10.2602 10.2648 10.5164 10.5223 11.2150 11.2323 11.7210 11.7418 k = 0.1525 0.5510 0.3022 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.6090 -20.6090 -16.9542 -16.9485 -16.5273 -16.5201 -16.4474 -16.4434 -7.3802 -7.3791 -5.0567 -5.0458 -4.5730 -4.5611 -4.1834 -4.1667 -1.5926 -1.5883 -1.0267 -1.0219 -0.5510 -0.5448 -0.3082 -0.2919 0.2568 0.2654 1.1579 1.1638 1.6734 1.6802 1.7780 1.7843 10.2485 10.2526 10.5170 10.5223 11.2237 11.2411 11.6998 11.7205 k = 0.1398 0.5469 0.3078 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.6116 -20.6115 -16.9489 -16.9435 -16.5251 -16.5181 -16.4469 -16.4430 -7.4033 -7.4023 -5.0482 -5.0380 -4.5729 -4.5608 -4.1956 -4.1792 -1.5866 -1.5826 -1.0190 -1.0143 -0.5506 -0.5449 -0.2908 -0.2751 0.2546 0.2633 1.1721 1.1777 1.6723 1.6789 1.7778 1.7841 10.2366 10.2403 10.5186 10.5233 11.2329 11.2504 11.6785 11.6990 k = 0.1271 0.5428 0.3134 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6140 -20.6140 -16.9440 -16.9390 -16.5228 -16.5162 -16.4465 -16.4427 -7.4249 -7.4239 -5.0409 -5.0316 -4.5709 -4.5587 -4.2081 -4.1920 -1.5808 -1.5771 -1.0111 -1.0066 -0.5530 -0.5478 -0.2708 -0.2559 0.2504 0.2592 1.1855 1.1907 1.6712 1.6774 1.7784 1.7846 10.2249 10.2281 10.5209 10.5251 11.2424 11.2599 11.6573 11.6776 k = 0.1144 0.5387 0.3189 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.6163 -20.6162 -16.9395 -16.9349 -16.5204 -16.5142 -16.4462 -16.4425 -7.4449 -7.4440 -5.0349 -5.0264 -4.5672 -4.5550 -4.2206 -4.2050 -1.5753 -1.5719 -1.0032 -0.9989 -0.5575 -0.5529 -0.2489 -0.2348 0.2444 0.2531 1.1980 1.2027 1.6700 1.6759 1.7798 1.7857 10.2135 10.2164 10.5238 10.5275 11.2522 11.2696 11.6366 11.6564 k = 0.1017 0.5346 0.3245 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6183 -20.6183 -16.9354 -16.9312 -16.5180 -16.5123 -16.4459 -16.4424 -7.4631 -7.4623 -5.0300 -5.0225 -4.5620 -4.5500 -4.2330 -4.2181 -1.5701 -1.5670 -0.9954 -0.9913 -0.5636 -0.5595 -0.2258 -0.2127 0.2366 0.2453 1.2094 1.2137 1.6688 1.6742 1.7819 1.7874 10.2027 10.2053 10.5270 10.5302 11.2623 11.2794 11.6165 11.6358 k = 0.0890 0.5305 0.3301 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.6202 -20.6202 -16.9317 -16.9280 -16.5157 -16.5105 -16.4457 -16.4424 -7.4794 -7.4787 -5.0261 -5.0195 -4.5556 -4.5440 -4.2451 -4.2310 -1.5653 -1.5626 -0.9877 -0.9839 -0.5705 -0.5669 -0.2023 -0.1901 0.2274 0.2359 1.2197 1.2236 1.6676 1.6724 1.7845 1.7895 10.1927 10.1949 10.5304 10.5331 11.2726 11.2891 11.5973 11.6159 k = 0.0763 0.5264 0.3357 ( 5785 PWs) bands (ev): -94.7303 -94.7303 -20.6219 -20.6219 -16.9284 -16.9252 -16.5135 -16.5089 -16.4455 -16.4425 -7.4938 -7.4932 -5.0232 -5.0175 -4.5483 -4.5373 -4.2567 -4.2436 -1.5611 -1.5587 -0.9805 -0.9770 -0.5777 -0.5746 -0.1790 -0.1679 0.2172 0.2254 1.2288 1.2322 1.6663 1.6705 1.7874 1.7917 10.1836 10.1856 10.5337 10.5361 11.2828 11.2986 11.5795 11.5969 k = 0.0635 0.5223 0.3413 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.6233 -20.6233 -16.9256 -16.9229 -16.5115 -16.5075 -16.4453 -16.4427 -7.5061 -7.5056 -5.0209 -5.0162 -4.5405 -4.5304 -4.2673 -4.2555 -1.5573 -1.5553 -0.9737 -0.9707 -0.5847 -0.5821 -0.1567 -0.1467 0.2065 0.2141 1.2367 1.2396 1.6652 1.6687 1.7903 1.7940 10.1757 10.1773 10.5369 10.5388 11.2929 11.3074 11.5633 11.5793 k = 0.0508 0.5182 0.3469 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.6245 -20.6245 -16.9233 -16.9211 -16.5096 -16.5064 -16.4451 -16.4429 -7.5162 -7.5158 -5.0192 -5.0155 -4.5327 -4.5238 -4.2767 -4.2665 -1.5542 -1.5526 -0.9677 -0.9651 -0.5912 -0.5890 -0.1360 -0.1273 0.1960 0.2028 1.2433 1.2456 1.6642 1.6671 1.7931 1.7961 10.1691 10.1704 10.5397 10.5413 11.3025 11.3154 11.5493 11.5634 k = 0.0381 0.5141 0.3524 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.6254 -20.6254 -16.9214 -16.9198 -16.5080 -16.5055 -16.4449 -16.4432 -7.5242 -7.5239 -5.0180 -5.0152 -4.5254 -4.5182 -4.2843 -4.2762 -1.5516 -1.5504 -0.9626 -0.9607 -0.5965 -0.5949 -0.1179 -0.1109 0.1864 0.1920 1.2486 1.2503 1.6634 1.6656 1.7956 1.7978 10.1638 10.1648 10.5421 10.5433 11.3113 11.3219 11.5380 11.5495 k = 0.0254 0.5099 0.3580 ( 5791 PWs) bands (ev): -94.7303 -94.7303 -20.6261 -20.6261 -16.9200 -16.9189 -16.5067 -16.5050 -16.4446 -16.4435 -7.5299 -7.5297 -5.0171 -5.0152 -4.5192 -4.5141 -4.2898 -4.2840 -1.5497 -1.5489 -0.9588 -0.9574 -0.6005 -0.5994 -0.1033 -0.0983 0.1787 0.1829 1.2524 1.2536 1.6629 1.6644 1.7975 1.7991 10.1600 10.1607 10.5439 10.5447 11.3189 11.3265 11.5300 11.5382 k = 0.0127 0.5058 0.3636 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.6265 -20.6265 -16.9190 -16.9185 -16.5058 -16.5049 -16.4444 -16.4438 -7.5333 -7.5332 -5.0164 -5.0154 -4.5147 -4.5120 -4.2926 -4.2896 -1.5485 -1.5481 -0.9562 -0.9555 -0.6029 -0.6024 -0.0934 -0.0908 0.1741 0.1763 1.2549 1.2555 1.6627 1.6635 1.7989 1.7997 10.1578 10.1582 10.5451 10.5455 11.3246 11.3286 11.5259 11.5302 k = 0.0000 0.5017 0.3692 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.6266 -20.6266 -16.9185 -16.9185 -16.5052 -16.5052 -16.4441 -16.4441 -7.5344 -7.5344 -5.0158 -5.0158 -4.5122 -4.5122 -4.2925 -4.2925 -1.5480 -1.5480 -0.9551 -0.9551 -0.6036 -0.6036 -0.0891 -0.0891 0.1732 0.1732 1.2559 1.2559 1.6629 1.6629 1.7996 1.7996 10.1572 10.1572 10.5457 10.5457 11.3280 11.3280 11.5260 11.5260 k = 0.0000 0.5017 0.3692 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.6266 -20.6266 -16.9185 -16.9185 -16.5052 -16.5052 -16.4441 -16.4441 -7.5344 -7.5344 -5.0158 -5.0158 -4.5122 -4.5122 -4.2925 -4.2925 -1.5480 -1.5480 -0.9551 -0.9551 -0.6036 -0.6036 -0.0891 -0.0891 0.1732 0.1732 1.2559 1.2559 1.6629 1.6629 1.7996 1.7996 10.1572 10.1572 10.5457 10.5457 11.3280 11.3280 11.5260 11.5260 k = 0.0071 0.4940 0.3797 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.6265 -20.6265 -16.9186 -16.9183 -16.5065 -16.5049 -16.4448 -16.4431 -7.5339 -7.5338 -5.0180 -5.0162 -4.5132 -4.5106 -4.2927 -4.2909 -1.5481 -1.5479 -0.9562 -0.9554 -0.6036 -0.6029 -0.0891 -0.0882 0.1732 0.1738 1.2552 1.2559 1.6627 1.6637 1.7992 1.7998 10.1572 10.1578 10.5450 10.5467 11.3240 11.3282 11.5252 11.5295 k = 0.0143 0.4862 0.3903 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.6262 -20.6262 -16.9186 -16.9178 -16.5088 -16.5057 -16.4451 -16.4418 -7.5323 -7.5321 -5.0228 -5.0192 -4.5136 -4.5085 -4.2914 -4.2877 -1.5483 -1.5478 -0.9587 -0.9571 -0.6030 -0.6017 -0.0884 -0.0865 0.1739 0.1750 1.2537 1.2552 1.6631 1.6651 1.7985 1.7998 10.1578 10.1589 10.5446 10.5480 11.3166 11.3247 11.5272 11.5355 k = 0.0214 0.4784 0.4008 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.6256 -20.6256 -16.9185 -16.9173 -16.5120 -16.5075 -16.4450 -16.4404 -7.5296 -7.5294 -5.0300 -5.0248 -4.5134 -4.5060 -4.2885 -4.2832 -1.5485 -1.5477 -0.9624 -0.9601 -0.6020 -0.6000 -0.0868 -0.0840 0.1752 0.1769 1.2517 1.2539 1.6640 1.6670 1.7977 1.7995 10.1589 10.1606 10.5446 10.5497 11.3065 11.3178 11.5317 11.5433 k = 0.0286 0.4707 0.4114 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.6248 -20.6248 -16.9182 -16.9166 -16.5159 -16.5104 -16.4447 -16.4389 -7.5258 -7.5255 -5.0396 -5.0328 -4.5127 -4.5032 -4.2843 -4.2773 -1.5486 -1.5476 -0.9672 -0.9642 -0.6006 -0.5980 -0.0844 -0.0808 0.1771 0.1793 1.2490 1.2519 1.6654 1.6694 1.7966 1.7991 10.1606 10.1628 10.5449 10.5517 11.2943 11.3081 11.5381 11.5523 k = 0.0357 0.4629 0.4219 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.6238 -20.6238 -16.9178 -16.9158 -16.5206 -16.5141 -16.4441 -16.4373 -7.5210 -7.5207 -5.0512 -5.0431 -4.5114 -4.5002 -4.2786 -4.2703 -1.5488 -1.5474 -0.9728 -0.9692 -0.5990 -0.5960 -0.0814 -0.0770 0.1796 0.1824 1.2458 1.2493 1.6672 1.6720 1.7953 1.7985 10.1627 10.1654 10.5455 10.5540 11.2805 11.2963 11.5458 11.5621 k = 0.0429 0.4552 0.4325 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.6226 -20.6226 -16.9172 -16.9148 -16.5259 -16.5187 -16.4433 -16.4358 -7.5152 -7.5148 -5.0648 -5.0554 -4.5098 -4.4971 -4.2717 -4.2621 -1.5488 -1.5472 -0.9791 -0.9750 -0.5975 -0.5940 -0.0779 -0.0726 0.1828 0.1862 1.2423 1.2463 1.6692 1.6749 1.7939 1.7978 10.1653 10.1685 10.5464 10.5566 11.2657 11.2829 11.5544 11.5721 k = 0.0500 0.4474 0.4430 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.6213 -20.6212 -16.9165 -16.9137 -16.5318 -16.5240 -16.4424 -16.4343 -7.5084 -7.5079 -5.0802 -5.0697 -4.5078 -4.4939 -4.2636 -4.2530 -1.5487 -1.5467 -0.9858 -0.9813 -0.5961 -0.5923 -0.0739 -0.0679 0.1867 0.1906 1.2384 1.2430 1.6714 1.6779 1.7926 1.7972 10.1683 10.1720 10.5477 10.5596 11.2502 11.2685 11.5632 11.5821 k = 0.0571 0.4396 0.4536 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.6197 -20.6197 -16.9157 -16.9125 -16.5381 -16.5300 -16.4415 -16.4330 -7.5007 -7.5001 -5.0970 -5.0855 -4.5055 -4.4908 -4.2546 -4.2430 -1.5483 -1.5461 -0.9928 -0.9879 -0.5951 -0.5910 -0.0697 -0.0629 0.1912 0.1956 1.2344 1.2395 1.6736 1.6807 1.7913 1.7967 10.1717 10.1758 10.5494 10.5628 11.2344 11.2536 11.5720 11.5918 k = 0.0643 0.4319 0.4641 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.6179 -20.6179 -16.9147 -16.9112 -16.5449 -16.5364 -16.4407 -16.4317 -7.4921 -7.4914 -5.1151 -5.1029 -4.5030 -4.4877 -4.2447 -4.2324 -1.5477 -1.5451 -0.9999 -0.9946 -0.5945 -0.5902 -0.0655 -0.0581 0.1964 0.2013 1.2304 1.2359 1.6755 1.6832 1.7902 1.7964 10.1753 10.1798 10.5513 10.5664 11.2186 11.2386 11.5806 11.6010 k = 0.0714 0.4241 0.4747 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.6160 -20.6160 -16.9136 -16.9097 -16.5521 -16.5434 -16.4398 -16.4306 -7.4826 -7.4819 -5.1344 -5.1214 -4.5005 -4.4848 -4.2341 -4.2212 -1.5467 -1.5437 -1.0070 -1.0014 -0.5944 -0.5899 -0.0616 -0.0536 0.2023 0.2077 1.2266 1.2325 1.6769 1.6853 1.7894 1.7965 10.1792 10.1840 10.5536 10.5702 11.2030 11.2236 11.5886 11.6096 k = 0.0786 0.4163 0.4852 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.6140 -20.6140 -16.9124 -16.9081 -16.5596 -16.5507 -16.4390 -16.4296 -7.4723 -7.4716 -5.1546 -5.1411 -4.4978 -4.4820 -4.2230 -4.2097 -1.5452 -1.5419 -1.0139 -1.0080 -0.5948 -0.5901 -0.0582 -0.0497 0.2088 0.2146 1.2231 1.2294 1.6778 1.6865 1.7890 1.7969 10.1831 10.1882 10.5561 10.5743 11.1879 11.2091 11.5960 11.6174 k = 0.0857 0.4086 0.4958 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.6118 -20.6118 -16.9111 -16.9064 -16.5675 -16.5584 -16.4384 -16.4287 -7.4614 -7.4605 -5.1756 -5.1615 -4.4952 -4.4794 -4.2115 -4.1978 -1.5432 -1.5395 -1.0207 -1.0145 -0.5956 -0.5908 -0.0556 -0.0467 0.2160 0.2221 1.2202 1.2267 1.6779 1.6870 1.7891 1.7978 10.1872 10.1925 10.5589 10.5786 11.1735 11.1952 11.6026 11.6242 k = 0.0929 0.4008 0.5063 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.6095 -20.6095 -16.9097 -16.9046 -16.5755 -16.5664 -16.4377 -16.4280 -7.4497 -7.4489 -5.1971 -5.1826 -4.4925 -4.4769 -4.1998 -4.1859 -1.5406 -1.5365 -1.0272 -1.0207 -0.5968 -0.5918 -0.0540 -0.0449 0.2237 0.2302 1.2179 1.2248 1.6771 1.6864 1.7899 1.7992 10.1912 10.1967 10.5620 10.5831 11.1599 11.1821 11.6083 11.6300 k = 0.1000 0.3931 0.5169 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.6071 -20.6071 -16.9082 -16.9027 -16.5838 -16.5747 -16.4372 -16.4273 -7.4375 -7.4366 -5.2190 -5.2042 -4.4899 -4.4746 -4.1881 -4.1739 -1.5373 -1.5327 -1.0336 -1.0268 -0.5981 -0.5929 -0.0537 -0.0444 0.2320 0.2387 1.2166 1.2237 1.6753 1.6847 1.7911 1.8010 10.1951 10.2008 10.5652 10.5877 11.1474 11.1701 11.6130 11.6348 k = 0.1071 0.3853 0.5274 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.6046 -20.6046 -16.9066 -16.9007 -16.5923 -16.5831 -16.4368 -16.4268 -7.4248 -7.4239 -5.2413 -5.2262 -4.4874 -4.4725 -4.1763 -4.1620 -1.5332 -1.5282 -1.0398 -1.0326 -0.5995 -0.5942 -0.0549 -0.0455 0.2407 0.2475 1.2163 1.2237 1.6725 1.6820 1.7929 1.8033 10.1989 10.2047 10.5687 10.5925 11.1359 11.1591 11.6167 11.6385 k = 0.1143 0.3775 0.5380 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.6021 -20.6021 -16.9049 -16.8987 -16.6008 -16.5916 -16.4364 -16.4264 -7.4117 -7.4108 -5.2636 -5.2483 -4.4849 -4.4705 -4.1648 -4.1503 -1.5283 -1.5227 -1.0459 -1.0383 -0.6008 -0.5953 -0.0578 -0.0483 0.2496 0.2565 1.2172 1.2249 1.6687 1.6782 1.7951 1.8059 10.2026 10.2084 10.5722 10.5973 11.1257 11.1495 11.6193 11.6410 k = 0.1214 0.3698 0.5485 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5995 -20.5995 -16.9031 -16.8965 -16.6094 -16.6003 -16.4362 -16.4261 -7.3983 -7.3974 -5.2860 -5.2704 -4.4826 -4.4687 -4.1534 -4.1389 -1.5224 -1.5164 -1.0519 -1.0440 -0.6019 -0.5961 -0.0624 -0.0531 0.2587 0.2655 1.2195 1.2274 1.6639 1.6735 1.7975 1.8086 10.2060 10.2119 10.5757 10.6021 11.1168 11.1412 11.6209 11.6423 k = 0.1286 0.3620 0.5591 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.5970 -20.5969 -16.9012 -16.8943 -16.6180 -16.6089 -16.4360 -16.4258 -7.3847 -7.3837 -5.3082 -5.2924 -4.4804 -4.4670 -4.1424 -4.1278 -1.5156 -1.5091 -1.0580 -1.0497 -0.6024 -0.5964 -0.0690 -0.0597 0.2677 0.2745 1.2232 1.2314 1.6583 1.6679 1.8001 1.8114 10.2092 10.2150 10.5792 10.6067 11.1092 11.1342 11.6214 11.6425 k = 0.1357 0.3543 0.5696 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5944 -20.5944 -16.8993 -16.8920 -16.6266 -16.6176 -16.4358 -16.4257 -7.3710 -7.3700 -5.3301 -5.3142 -4.4783 -4.4655 -4.1319 -4.1172 -1.5078 -1.5008 -1.0643 -1.0556 -0.6022 -0.5960 -0.0774 -0.0683 0.2767 0.2833 1.2285 1.2369 1.6519 1.6615 1.8027 1.8142 10.2121 10.2179 10.5827 10.6113 11.1031 11.1288 11.6208 11.6416 k = 0.1429 0.3465 0.5802 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5918 -20.5918 -16.8973 -16.8897 -16.6350 -16.6262 -16.4357 -16.4256 -7.3573 -7.3562 -5.3515 -5.3355 -4.4763 -4.4642 -4.1218 -4.1071 -1.4990 -1.4915 -1.0708 -1.0618 -0.6012 -0.5947 -0.0878 -0.0789 0.2853 0.2918 1.2353 1.2439 1.6448 1.6543 1.8051 1.8168 10.2147 10.2205 10.5860 10.6156 11.0984 11.1247 11.6193 11.6396 k = 0.1500 0.3387 0.5907 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5893 -20.5893 -16.8952 -16.8874 -16.6433 -16.6346 -16.4357 -16.4255 -7.3436 -7.3426 -5.3725 -5.3564 -4.4744 -4.4630 -4.1122 -4.0975 -1.4892 -1.4811 -1.0777 -1.0684 -0.5991 -0.5923 -0.1000 -0.0915 0.2936 0.2999 1.2437 1.2526 1.6369 1.6465 1.8074 1.8192 10.2171 10.2227 10.5891 10.6196 11.0951 11.1221 11.6169 11.6367 k = 0.1571 0.3310 0.6012 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5869 -20.5869 -16.8932 -16.8850 -16.6514 -16.6429 -16.4357 -16.4255 -7.3302 -7.3292 -5.3927 -5.3765 -4.4727 -4.4619 -4.1032 -4.0885 -1.4785 -1.4699 -1.0851 -1.0754 -0.5958 -0.5888 -0.1141 -0.1058 0.3015 0.3075 1.2536 1.2627 1.6284 1.6380 1.8094 1.8213 10.2191 10.2247 10.5920 10.6233 11.0930 11.1207 11.6137 11.6328 k = 0.1643 0.3232 0.6118 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5845 -20.5845 -16.8911 -16.8827 -16.6592 -16.6509 -16.4358 -16.4256 -7.3172 -7.3161 -5.4121 -5.3959 -4.4711 -4.4611 -4.0948 -4.0802 -1.4669 -1.4576 -1.0930 -1.0831 -0.5912 -0.5838 -0.1300 -0.1220 0.3089 0.3146 1.2648 1.2742 1.6192 1.6290 1.8112 1.8230 10.2210 10.2264 10.5946 10.6267 11.0923 11.1206 11.6098 11.6281 k = 0.1714 0.3154 0.6223 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5823 -20.5823 -16.8890 -16.8804 -16.6667 -16.6587 -16.4358 -16.4256 -7.3046 -7.3035 -5.4306 -5.4143 -4.4696 -4.4603 -4.0871 -4.0725 -1.4544 -1.4446 -1.1015 -1.0914 -0.5851 -0.5774 -0.1474 -0.1397 0.3157 0.3212 1.2774 1.2870 1.6095 1.6193 1.8126 1.8244 10.2225 10.2279 10.5970 10.6297 11.0926 11.1215 11.6054 11.6228 k = 0.1786 0.3077 0.6329 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5802 -20.5802 -16.8869 -16.8781 -16.6737 -16.6661 -16.4359 -16.4257 -7.2925 -7.2915 -5.4480 -5.4316 -4.4683 -4.4597 -4.0800 -4.0654 -1.4412 -1.4307 -1.1106 -1.1005 -0.5775 -0.5694 -0.1663 -0.1590 0.3220 0.3271 1.2912 1.3010 1.5992 1.6091 1.8136 1.8255 10.2239 10.2292 10.5991 10.6323 11.0938 11.1233 11.6006 11.6171 k = 0.1857 0.2999 0.6434 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5782 -20.5782 -16.8849 -16.8759 -16.6803 -16.6731 -16.4360 -16.4258 -7.2812 -7.2802 -5.4642 -5.4478 -4.4670 -4.4592 -4.0736 -4.0590 -1.4274 -1.4163 -1.1204 -1.1103 -0.5683 -0.5599 -0.1864 -0.1795 0.3277 0.3325 1.3059 1.3160 1.5883 1.5983 1.8144 1.8263 10.2251 10.2302 10.6009 10.6345 11.0958 11.1258 11.5956 11.6109 k = 0.1929 0.2922 0.6540 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5764 -20.5764 -16.8829 -16.8738 -16.6864 -16.6797 -16.4361 -16.4259 -7.2707 -7.2697 -5.4791 -5.4626 -4.4659 -4.4588 -4.0679 -4.0533 -1.4131 -1.4013 -1.1307 -1.1207 -0.5576 -0.5487 -0.2075 -0.2010 0.3328 0.3373 1.3215 1.3318 1.5768 1.5870 1.8149 1.8268 10.2261 10.2311 10.6024 10.6364 11.0984 11.1289 11.5905 11.6046 k = 0.2000 0.2844 0.6645 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5747 -20.5747 -16.8811 -16.8718 -16.6919 -16.6858 -16.4362 -16.4260 -7.2611 -7.2601 -5.4926 -5.4760 -4.4649 -4.4585 -4.0628 -4.0483 -1.3984 -1.3860 -1.1416 -1.1318 -0.5454 -0.5360 -0.2294 -0.2234 0.3373 0.3414 1.3377 1.3482 1.5648 1.5750 1.8151 1.8270 10.2269 10.2319 10.6038 10.6380 11.1013 11.1323 11.5856 11.5984 k = 0.2071 0.2766 0.6751 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5733 -20.5733 -16.8794 -16.8700 -16.6967 -16.6913 -16.4363 -16.4261 -7.2525 -7.2516 -5.5045 -5.4879 -4.4640 -4.4583 -4.0585 -4.0440 -1.3838 -1.3706 -1.1528 -1.1433 -0.5318 -0.5218 -0.2517 -0.2463 0.3412 0.3451 1.3544 1.3651 1.5522 1.5625 1.8152 1.8270 10.2276 10.2325 10.6048 10.6392 11.1044 11.1357 11.5810 11.5923 k = 0.2143 0.2689 0.6856 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5720 -20.5720 -16.8778 -16.8684 -16.7008 -16.6961 -16.4364 -16.4262 -7.2451 -7.2441 -5.5147 -5.4981 -4.4632 -4.4582 -4.0548 -4.0403 -1.3694 -1.3553 -1.1642 -1.1551 -0.5170 -0.5063 -0.2741 -0.2695 0.3445 0.3481 1.3712 1.3821 1.5392 1.5495 1.8151 1.8269 10.2282 10.2330 10.6057 10.6402 11.1075 11.1391 11.5769 11.5866 k = 0.2214 0.2611 0.6962 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5710 -20.5710 -16.8765 -16.8670 -16.7042 -16.7003 -16.4365 -16.4263 -7.2389 -7.2380 -5.5232 -5.5066 -4.4625 -4.4582 -4.0518 -4.0374 -1.3557 -1.3407 -1.1754 -1.1669 -0.5015 -0.4897 -0.2962 -0.2924 0.3472 0.3505 1.3881 1.3991 1.5258 1.5360 1.8149 1.8268 10.2286 10.2334 10.6064 10.6410 11.1103 11.1422 11.5735 11.5815 k = 0.2286 0.2534 0.7067 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5702 -20.5702 -16.8754 -16.8659 -16.7068 -16.7037 -16.4366 -16.4264 -7.2339 -7.2330 -5.5300 -5.5133 -4.4619 -4.4582 -4.0495 -4.0350 -1.3432 -1.3273 -1.1858 -1.1780 -0.4858 -0.4726 -0.3172 -0.3146 0.3492 0.3525 1.4046 1.4157 1.5122 1.5222 1.8148 1.8266 10.2290 10.2337 10.6069 10.6416 11.1126 11.1447 11.5708 11.5771 k = 0.2357 0.2456 0.7173 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5696 -20.5696 -16.8746 -16.8651 -16.7085 -16.7064 -16.4367 -16.4264 -7.2304 -7.2295 -5.5348 -5.5181 -4.4615 -4.4582 -4.0478 -4.0334 -1.3329 -1.3159 -1.1946 -1.1877 -0.4710 -0.4560 -0.3362 -0.3344 0.3507 0.3538 1.4202 1.4313 1.4990 1.5084 1.8146 1.8264 10.2292 10.2339 10.6073 10.6420 11.1145 11.1467 11.5691 11.5736 k = 0.2429 0.2378 0.7278 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8741 -16.8646 -16.7093 -16.7082 -16.4367 -16.4265 -7.2282 -7.2274 -5.5377 -5.5210 -4.4612 -4.4583 -4.0468 -4.0324 -1.3259 -1.3081 -1.2007 -1.1945 -0.4595 -0.4423 -0.3516 -0.3488 0.3516 0.3546 1.4334 1.4442 1.4880 1.4959 1.8145 1.8263 10.2293 10.2340 10.6075 10.6422 11.1156 11.1479 11.5683 11.5712 k = 0.2500 0.2301 0.7384 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8739 -16.8645 -16.7095 -16.7089 -16.4367 -16.4265 -7.2275 -7.2266 -5.5387 -5.5220 -4.4611 -4.4583 -4.0465 -4.0321 -1.3234 -1.3052 -1.2029 -1.1970 -0.4549 -0.4364 -0.3582 -0.3542 0.3519 0.3549 1.4396 1.4498 1.4836 1.4894 1.8145 1.8263 10.2294 10.2340 10.6075 10.6423 11.1160 11.1483 11.5682 11.5703 k = 0.2500 0.2301 0.7384 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8739 -16.8645 -16.7095 -16.7089 -16.4367 -16.4265 -7.2275 -7.2266 -5.5387 -5.5220 -4.4611 -4.4583 -4.0465 -4.0321 -1.3234 -1.3052 -1.2029 -1.1970 -0.4549 -0.4364 -0.3582 -0.3542 0.3519 0.3549 1.4396 1.4498 1.4836 1.4894 1.8145 1.8263 10.2294 10.2340 10.6075 10.6423 11.1160 11.1483 11.5682 11.5703 k = 0.2581 0.2375 0.7283 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5691 -16.8740 -16.8646 -16.7094 -16.7085 -16.4367 -16.4265 -7.2279 -7.2270 -5.5385 -5.5219 -4.4609 -4.4581 -4.0460 -4.0317 -1.3250 -1.3070 -1.2017 -1.1956 -0.4576 -0.4398 -0.3553 -0.3519 0.3516 0.3545 1.4370 1.4476 1.4860 1.4931 1.8144 1.8262 10.2295 10.2341 10.6078 10.6425 11.1155 11.1478 11.5688 11.5713 k = 0.2661 0.2449 0.7182 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8743 -16.8649 -16.7091 -16.7075 -16.4366 -16.4265 -7.2290 -7.2281 -5.5379 -5.5214 -4.4604 -4.4574 -4.0447 -4.0304 -1.3299 -1.3126 -1.1977 -1.1914 -0.4657 -0.4496 -0.3471 -0.3451 0.3506 0.3535 1.4309 1.4418 1.4932 1.5016 1.8143 1.8261 10.2300 10.2346 10.6085 10.6432 11.1142 11.1465 11.5707 11.5740 k = 0.2742 0.2523 0.7081 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.5695 -20.5695 -16.8749 -16.8655 -16.7084 -16.7061 -16.4365 -16.4264 -7.2305 -7.2297 -5.5370 -5.5206 -4.4595 -4.4563 -4.0425 -4.0283 -1.3379 -1.3214 -1.1913 -1.1847 -0.4785 -0.4643 -0.3359 -0.3345 0.3489 0.3519 1.4236 1.4344 1.5034 1.5125 1.8141 1.8259 10.2309 10.2355 10.6096 10.6442 11.1121 11.1443 11.5741 11.5783 k = 0.2823 0.2598 0.6980 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.5698 -20.5698 -16.8758 -16.8665 -16.7073 -16.7042 -16.4364 -16.4264 -7.2325 -7.2316 -5.5357 -5.5195 -4.4583 -4.4548 -4.0394 -4.0254 -1.3484 -1.3328 -1.1828 -1.1759 -0.4949 -0.4822 -0.3234 -0.3213 0.3467 0.3497 1.4161 1.4267 1.5151 1.5244 1.8139 1.8257 10.2324 10.2370 10.6112 10.6457 11.1092 11.1412 11.5789 11.5839 k = 0.2903 0.2672 0.6879 ( 5777 PWs) bands (ev): -94.7303 -94.7303 -20.5701 -20.5701 -16.8771 -16.8678 -16.7057 -16.7019 -16.4363 -16.4264 -7.2346 -7.2337 -5.5341 -5.5182 -4.4566 -4.4529 -4.0356 -4.0218 -1.3608 -1.3461 -1.1728 -1.1658 -0.5139 -0.5025 -0.3100 -0.3072 0.3439 0.3469 1.4088 1.4191 1.5276 1.5370 1.8137 1.8254 10.2345 10.2391 10.6131 10.6476 11.1055 11.1374 11.5851 11.5908 k = 0.2984 0.2746 0.6779 ( 5779 PWs) bands (ev): -94.7303 -94.7303 -20.5704 -20.5704 -16.8788 -16.8695 -16.7038 -16.6991 -16.4362 -16.4265 -7.2367 -7.2359 -5.5323 -5.5166 -4.4547 -4.4506 -4.0310 -4.0175 -1.3746 -1.3607 -1.1620 -1.1549 -0.5350 -0.5245 -0.2964 -0.2930 0.3407 0.3437 1.4020 1.4120 1.5406 1.5499 1.8133 1.8250 10.2374 10.2419 10.6155 10.6499 11.1012 11.1329 11.5925 11.5988 k = 0.3065 0.2820 0.6678 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.5707 -20.5707 -16.8809 -16.8716 -16.7014 -16.6960 -16.4360 -16.4265 -7.2387 -7.2378 -5.5302 -5.5148 -4.4523 -4.4479 -4.0258 -4.0125 -1.3892 -1.3760 -1.1507 -1.1437 -0.5575 -0.5479 -0.2829 -0.2791 0.3370 0.3400 1.3957 1.4054 1.5536 1.5628 1.8129 1.8246 10.2409 10.2455 10.6183 10.6525 11.0961 11.1276 11.6012 11.6080 k = 0.3145 0.2894 0.6577 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5710 -20.5710 -16.8834 -16.8741 -16.6987 -16.6926 -16.4359 -16.4266 -7.2403 -7.2395 -5.5279 -5.5128 -4.4497 -4.4449 -4.0200 -4.0071 -1.4043 -1.3918 -1.1393 -1.1325 -0.5812 -0.5724 -0.2699 -0.2658 0.3329 0.3359 1.3900 1.3993 1.5666 1.5756 1.8125 1.8240 10.2453 10.2499 10.6214 10.6554 11.0903 11.1216 11.6110 11.6182 k = 0.3226 0.2969 0.6476 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.5713 -20.5713 -16.8863 -16.8769 -16.6956 -16.6889 -16.4358 -16.4268 -7.2415 -7.2407 -5.5255 -5.5107 -4.4468 -4.4416 -4.0137 -4.0011 -1.4195 -1.4076 -1.1281 -1.1217 -0.6056 -0.5975 -0.2576 -0.2533 0.3285 0.3316 1.3848 1.3938 1.5792 1.5880 1.8119 1.8234 10.2504 10.2550 10.6248 10.6586 11.0838 11.1149 11.6220 11.6295 k = 0.3306 0.3043 0.6375 ( 5781 PWs) bands (ev): -94.7303 -94.7303 -20.5716 -20.5715 -16.8895 -16.8801 -16.6923 -16.6849 -16.4358 -16.4270 -7.2420 -7.2413 -5.5229 -5.5085 -4.4437 -4.4381 -4.0070 -3.9948 -1.4347 -1.4233 -1.1176 -1.1116 -0.6303 -0.6229 -0.2462 -0.2419 0.3239 0.3270 1.3801 1.3887 1.5914 1.6000 1.8113 1.8227 10.2564 10.2609 10.6286 10.6621 11.0766 11.1074 11.6340 11.6417 k = 0.3387 0.3117 0.6274 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5718 -20.5717 -16.8931 -16.8837 -16.6887 -16.6807 -16.4358 -16.4273 -7.2418 -7.2411 -5.5203 -5.5063 -4.4404 -4.4343 -4.0000 -3.9882 -1.4497 -1.4387 -1.1081 -1.1026 -0.6550 -0.6482 -0.2358 -0.2315 0.3190 0.3223 1.3758 1.3841 1.6031 1.6114 1.8106 1.8218 10.2631 10.2676 10.6326 10.6659 11.0687 11.0992 11.6470 11.6548 k = 0.3468 0.3191 0.6173 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5719 -20.5719 -16.8970 -16.8876 -16.6848 -16.6764 -16.4358 -16.4277 -7.2408 -7.2401 -5.5176 -5.5040 -4.4368 -4.4303 -3.9929 -3.9815 -1.4641 -1.4536 -1.0999 -1.0951 -0.6791 -0.6730 -0.2265 -0.2222 0.3141 0.3176 1.3719 1.3798 1.6141 1.6221 1.8097 1.8208 10.2705 10.2750 10.6369 10.6698 11.0601 11.0902 11.6609 11.6688 k = 0.3548 0.3265 0.6073 ( 5781 PWs) bands (ev): -94.7303 -94.7303 -20.5719 -20.5719 -16.9013 -16.8918 -16.6808 -16.6719 -16.4360 -16.4282 -7.2387 -7.2380 -5.5150 -5.5017 -4.4331 -4.4262 -3.9856 -3.9747 -1.4779 -1.4678 -1.0935 -1.0895 -0.7023 -0.6968 -0.2183 -0.2142 0.3091 0.3128 1.3681 1.3758 1.6244 1.6322 1.8088 1.8196 10.2786 10.2831 10.6413 10.6739 11.0510 11.0807 11.6757 11.6836 k = 0.3629 0.3340 0.5972 ( 5781 PWs) bands (ev): -94.7303 -94.7303 -20.5719 -20.5719 -16.9058 -16.8963 -16.6766 -16.6674 -16.4361 -16.4287 -7.2356 -7.2350 -5.5124 -5.4994 -4.4293 -4.4219 -3.9785 -3.9680 -1.4909 -1.4812 -1.0894 -1.0863 -0.7241 -0.7190 -0.2113 -0.2073 0.3042 0.3081 1.3644 1.3718 1.6339 1.6414 1.8076 1.8183 10.2873 10.2918 10.6460 10.6780 11.0413 11.0705 11.6912 11.6990 k = 0.3710 0.3414 0.5871 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5718 -20.5718 -16.9106 -16.9010 -16.6723 -16.6627 -16.4364 -16.4294 -7.2314 -7.2308 -5.5098 -5.4971 -4.4255 -4.4176 -3.9715 -3.9614 -1.5031 -1.4937 -1.0883 -1.0858 -0.7439 -0.7390 -0.2055 -0.2017 0.2993 0.3035 1.3605 1.3678 1.6427 1.6499 1.8063 1.8168 10.2965 10.3009 10.6507 10.6822 11.0313 11.0599 11.7072 11.7151 k = 0.3790 0.3488 0.5770 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.5716 -20.5716 -16.9156 -16.9060 -16.6679 -16.6581 -16.4368 -16.4301 -7.2261 -7.2254 -5.5072 -5.4948 -4.4215 -4.4131 -3.9647 -3.9551 -1.5142 -1.5052 -1.0907 -1.0882 -0.7614 -0.7561 -0.2007 -0.1971 0.2946 0.2991 1.3564 1.3635 1.6507 1.6577 1.8049 1.8152 10.3061 10.3105 10.6554 10.6862 11.0211 11.0490 11.7238 11.7316 k = 0.3871 0.3562 0.5669 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5714 -20.5714 -16.9209 -16.9112 -16.6634 -16.6533 -16.4372 -16.4310 -7.2195 -7.2189 -5.5047 -5.4925 -4.4175 -4.4086 -3.9584 -3.9492 -1.5242 -1.5156 -1.0971 -1.0937 -0.7761 -0.7700 -0.1971 -0.1937 0.2900 0.2948 1.3518 1.3588 1.6579 1.6648 1.8033 1.8134 10.3161 10.3205 10.6600 10.6899 11.0110 11.0380 11.7406 11.7484 k = 0.3952 0.3637 0.5568 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5710 -20.5710 -16.9263 -16.9167 -16.6589 -16.6486 -16.4377 -16.4319 -7.2119 -7.2112 -5.5023 -5.4902 -4.4136 -4.4042 -3.9526 -3.9438 -1.5331 -1.5248 -1.1072 -1.1025 -0.7878 -0.7808 -0.1944 -0.1912 0.2856 0.2907 1.3465 1.3536 1.6644 1.6713 1.8017 1.8116 10.3262 10.3306 10.6643 10.6932 11.0011 11.0272 11.7575 11.7653 k = 0.4032 0.3711 0.5467 ( 5776 PWs) bands (ev): -94.7303 -94.7303 -20.5706 -20.5706 -16.9319 -16.9223 -16.6543 -16.6439 -16.4383 -16.4330 -7.2031 -7.2024 -5.4998 -5.4878 -4.4096 -4.3997 -3.9473 -3.9390 -1.5408 -1.5328 -1.1207 -1.1148 -0.7965 -0.7885 -0.1927 -0.1896 0.2813 0.2868 1.3404 1.3475 1.6703 1.6772 1.8000 1.8098 10.3366 10.3409 10.6683 10.6959 10.9919 11.0167 11.7743 11.7821 k = 0.4113 0.3785 0.5367 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.5701 -20.5701 -16.9377 -16.9280 -16.6497 -16.6392 -16.4390 -16.4341 -7.1932 -7.1925 -5.4974 -5.4853 -4.4057 -4.3953 -3.9428 -3.9349 -1.5472 -1.5396 -1.1370 -1.1299 -0.8026 -0.7937 -0.1918 -0.1888 0.2772 0.2830 1.3333 1.3405 1.6755 1.6826 1.7984 1.8081 10.3469 10.3512 10.6717 10.6978 10.9835 11.0070 11.7908 11.7985 k = 0.4194 0.3859 0.5266 ( 5777 PWs) bands (ev): -94.7303 -94.7303 -20.5696 -20.5696 -16.9436 -16.9339 -16.6451 -16.6344 -16.4398 -16.4353 -7.1823 -7.1817 -5.4948 -5.4827 -4.4019 -4.3909 -3.9392 -3.9315 -1.5523 -1.5452 -1.1554 -1.1473 -0.8065 -0.7969 -0.1916 -0.1887 0.2732 0.2792 1.3250 1.3323 1.6803 1.6876 1.7969 1.8066 10.3572 10.3615 10.6744 10.6988 10.9765 10.9982 11.8068 11.8145 k = 0.4274 0.3933 0.5165 ( 5775 PWs) bands (ev): -94.7303 -94.7303 -20.5690 -20.5690 -16.9496 -16.9399 -16.6405 -16.6298 -16.4406 -16.4366 -7.1706 -7.1699 -5.4921 -5.4800 -4.3982 -4.3867 -3.9364 -3.9291 -1.5563 -1.5495 -1.1753 -1.1663 -0.8088 -0.7985 -0.1920 -0.1892 0.2693 0.2755 1.3154 1.3228 1.6846 1.6922 1.7956 1.8053 10.3674 10.3716 10.6762 10.6986 10.9709 10.9908 11.8219 11.8296 k = 0.4355 0.4008 0.5064 ( 5777 PWs) bands (ev): -94.7303 -94.7303 -20.5683 -20.5683 -16.9556 -16.9460 -16.6358 -16.6251 -16.4415 -16.4379 -7.1581 -7.1574 -5.4892 -5.4769 -4.3946 -4.3826 -3.9346 -3.9276 -1.5591 -1.5527 -1.1958 -1.1862 -0.8099 -0.7993 -0.1930 -0.1901 0.2653 0.2717 1.3044 1.3120 1.6887 1.6966 1.7946 1.8043 10.3772 10.3814 10.6770 10.6972 10.9672 10.9849 11.8360 11.8437 k = 0.4435 0.4082 0.4963 ( 5783 PWs) bands (ev): -94.7303 -94.7303 -20.5677 -20.5677 -16.9617 -16.9521 -16.6311 -16.6204 -16.4424 -16.4393 -7.1450 -7.1443 -5.4859 -5.4735 -4.3911 -4.3786 -3.9338 -3.9270 -1.5608 -1.5549 -1.2164 -1.2062 -0.8104 -0.7995 -0.1944 -0.1914 0.2612 0.2677 1.2919 1.2996 1.6925 1.7008 1.7939 1.8036 10.3868 10.3910 10.6766 10.6946 10.9652 10.9808 11.8489 11.8566 k = 0.4516 0.4156 0.4862 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.5670 -20.5670 -16.9677 -16.9582 -16.6265 -16.6158 -16.4434 -16.4407 -7.1315 -7.1307 -5.4823 -5.4696 -4.3877 -4.3748 -3.9341 -3.9276 -1.5616 -1.5562 -1.2364 -1.2256 -0.8106 -0.7995 -0.1960 -0.1929 0.2568 0.2634 1.2780 1.2858 1.6963 1.7049 1.7936 1.8033 10.3960 10.4002 10.6751 10.6909 10.9652 10.9786 11.8603 11.8680 k = 0.4597 0.4230 0.4761 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5663 -20.5663 -16.9738 -16.9643 -16.6218 -16.6111 -16.4444 -16.4421 -7.1177 -7.1170 -5.4781 -5.4652 -4.3845 -4.3711 -3.9356 -3.9292 -1.5617 -1.5567 -1.2552 -1.2440 -0.8107 -0.7996 -0.1979 -0.1946 0.2520 0.2587 1.2628 1.2706 1.7000 1.7089 1.7936 1.8034 10.4048 10.4090 10.6725 10.6862 10.9669 10.9783 11.8700 11.8778 k = 0.4677 0.4304 0.4661 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5657 -20.5657 -16.9797 -16.9703 -16.6172 -16.6065 -16.4454 -16.4436 -7.1040 -7.1032 -5.4734 -5.4601 -4.3815 -4.3677 -3.9383 -3.9320 -1.5614 -1.5569 -1.2723 -1.2607 -0.8111 -0.7999 -0.1998 -0.1964 0.2467 0.2534 1.2463 1.2542 1.7039 1.7129 1.7941 1.8039 10.4131 10.4172 10.6690 10.6809 10.9701 10.9798 11.8779 11.8858 k = 0.4758 0.4379 0.4560 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5651 -20.5650 -16.9855 -16.9762 -16.6125 -16.6019 -16.4464 -16.4450 -7.0905 -7.0897 -5.4678 -5.4543 -4.3787 -4.3644 -3.9422 -3.9360 -1.5609 -1.5568 -1.2871 -1.2750 -0.8118 -0.8007 -0.2019 -0.1982 0.2408 0.2473 1.2287 1.2366 1.7078 1.7169 1.7950 1.8048 10.4208 10.4250 10.6647 10.6752 10.9748 10.9830 11.8838 11.8917 k = 0.4839 0.4453 0.4459 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5645 -20.5645 -16.9912 -16.9820 -16.6078 -16.5974 -16.4474 -16.4463 -7.0775 -7.0766 -5.4614 -5.4475 -4.3761 -4.3614 -3.9473 -3.9411 -1.5607 -1.5568 -1.2991 -1.2866 -0.8130 -0.8019 -0.2039 -0.1999 0.2339 0.2404 1.2102 1.2181 1.7119 1.7211 1.7962 1.8059 10.4281 10.4322 10.6597 10.6693 10.9805 10.9876 11.8876 11.8956 k = 0.4919 0.4527 0.4358 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5641 -20.5641 -16.9966 -16.9876 -16.6031 -16.5928 -16.4484 -16.4476 -7.0652 -7.0643 -5.4540 -5.4398 -4.3737 -4.3587 -3.9537 -3.9474 -1.5610 -1.5571 -1.3078 -1.2949 -0.8146 -0.8037 -0.2059 -0.2016 0.2261 0.2325 1.1912 1.1990 1.7161 1.7254 1.7977 1.8074 10.4348 10.4389 10.6545 10.6635 10.9871 10.9935 11.8893 11.8974 k = 0.5000 0.4601 0.4257 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5637 -20.5637 -17.0018 -16.9929 -16.5985 -16.5882 -16.4495 -16.4488 -7.0539 -7.0530 -5.4454 -5.4309 -4.3716 -4.3562 -3.9613 -3.9549 -1.5620 -1.5580 -1.3127 -1.2996 -0.8168 -0.8060 -0.2078 -0.2032 0.2172 0.2235 1.1718 1.1796 1.7206 1.7298 1.7996 1.8092 10.4410 10.4451 10.6491 10.6579 10.9944 11.0004 11.8886 11.8968 k = 0.5000 0.4601 0.4257 ( 5770 PWs) bands (ev): -94.7303 -94.7303 -20.5637 -20.5637 -17.0018 -16.9929 -16.5985 -16.5882 -16.4495 -16.4488 -7.0539 -7.0530 -5.4454 -5.4309 -4.3716 -4.3562 -3.9613 -3.9549 -1.5620 -1.5580 -1.3127 -1.2996 -0.8168 -0.8060 -0.2078 -0.2032 0.2172 0.2235 1.1718 1.1796 1.7206 1.7298 1.7996 1.8092 10.4410 10.4451 10.6491 10.6579 10.9944 11.0004 11.8886 11.8968 k = 0.5000 0.4601 0.4110 ( 5764 PWs) bands (ev): -94.7303 -94.7303 -20.5633 -20.5633 -17.0092 -17.0004 -16.5917 -16.5816 -16.4511 -16.4504 -7.0382 -7.0373 -5.4321 -5.4172 -4.3684 -4.3526 -3.9733 -3.9668 -1.5636 -1.5592 -1.3165 -1.3031 -0.8202 -0.8097 -0.2116 -0.2064 0.2022 0.2084 1.1436 1.1514 1.7273 1.7364 1.8026 1.8121 10.4495 10.4536 10.6416 10.6503 11.0054 11.0111 11.8855 11.8939 k = 0.5000 0.4601 0.3964 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5629 -20.5629 -17.0164 -17.0078 -16.5850 -16.5752 -16.4527 -16.4520 -7.0225 -7.0216 -5.4189 -5.4037 -4.3647 -4.3486 -3.9855 -3.9788 -1.5642 -1.5595 -1.3190 -1.3053 -0.8236 -0.8134 -0.2173 -0.2115 0.1851 0.1910 1.1161 1.1237 1.7343 1.7433 1.8062 1.8154 10.4580 10.4620 10.6349 10.6434 11.0167 11.0219 11.8814 11.8899 k = 0.5000 0.4601 0.3817 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5625 -20.5624 -17.0234 -17.0152 -16.5784 -16.5688 -16.4543 -16.4536 -7.0068 -7.0058 -5.4059 -5.3904 -4.3605 -4.3440 -3.9976 -3.9909 -1.5637 -1.5587 -1.3202 -1.3061 -0.8269 -0.8170 -0.2248 -0.2186 0.1656 0.1713 1.0892 1.0967 1.7416 1.7505 1.8101 1.8191 10.4664 10.4705 10.6289 10.6374 11.0280 11.0328 11.8762 11.8849 k = 0.5000 0.4601 0.3670 ( 5766 PWs) bands (ev): -94.7303 -94.7303 -20.5621 -20.5620 -17.0304 -17.0223 -16.5720 -16.5626 -16.4559 -16.4552 -6.9911 -6.9902 -5.3932 -5.3775 -4.3557 -4.3390 -4.0098 -4.0030 -1.5620 -1.5568 -1.3200 -1.3056 -0.8302 -0.8206 -0.2342 -0.2275 0.1438 0.1492 1.0632 1.0706 1.7493 1.7580 1.8146 1.8233 10.4749 10.4790 10.6239 10.6323 11.0391 11.0434 11.8700 11.8789 k = 0.5000 0.4601 0.3523 ( 5774 PWs) bands (ev): -94.7303 -94.7303 -20.5616 -20.5616 -17.0371 -17.0294 -16.5656 -16.5565 -16.4575 -16.4567 -6.9757 -6.9747 -5.3808 -5.3649 -4.3504 -4.3335 -4.0218 -4.0150 -1.5591 -1.5535 -1.3184 -1.3038 -0.8335 -0.8243 -0.2454 -0.2382 0.1196 0.1247 1.0381 1.0454 1.7573 1.7658 1.8193 1.8277 10.4835 10.4876 10.6198 10.6282 11.0497 11.0535 11.8628 11.8717 k = 0.5000 0.4601 0.3376 ( 5776 PWs) bands (ev): -94.7303 -94.7303 -20.5612 -20.5612 -17.0438 -17.0363 -16.5595 -16.5505 -16.4590 -16.4583 -6.9604 -6.9595 -5.3689 -5.3528 -4.3445 -4.3275 -4.0338 -4.0270 -1.5547 -1.5490 -1.3155 -1.3007 -0.8369 -0.8280 -0.2584 -0.2507 0.0930 0.0979 1.0140 1.0211 1.7656 1.7739 1.8245 1.8325 10.4923 10.4963 10.6168 10.6250 11.0598 11.0631 11.8546 11.8636 k = 0.5000 0.4601 0.3230 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5608 -20.5608 -17.0502 -17.0430 -16.5534 -16.5448 -16.4605 -16.4597 -6.9455 -6.9445 -5.3573 -5.3413 -4.3381 -4.3211 -4.0456 -4.0388 -1.5489 -1.5430 -1.3112 -1.2962 -0.8403 -0.8317 -0.2731 -0.2650 0.0641 0.0687 0.9911 0.9980 1.7742 1.7822 1.8299 1.8376 10.5012 10.5053 10.6148 10.6229 11.0691 11.0718 11.8453 11.8544 k = 0.5000 0.4601 0.3083 ( 5776 PWs) bands (ev): -94.7303 -94.7303 -20.5605 -20.5604 -17.0564 -17.0495 -16.5476 -16.5392 -16.4619 -16.4612 -6.9308 -6.9299 -5.3463 -5.3303 -4.3311 -4.3142 -4.0571 -4.0503 -1.5415 -1.5355 -1.3056 -1.2904 -0.8436 -0.8354 -0.2894 -0.2809 0.0330 0.0373 0.9693 0.9760 1.7831 1.7908 1.8355 1.8429 10.5104 10.5145 10.6139 10.6219 11.0774 11.0796 11.8351 11.8443 k = 0.5000 0.4601 0.2936 ( 5780 PWs) bands (ev): -94.7303 -94.7303 -20.5601 -20.5600 -17.0625 -17.0558 -16.5419 -16.5338 -16.4633 -16.4626 -6.9166 -6.9157 -5.3358 -5.3200 -4.3237 -4.3069 -4.0683 -4.0616 -1.5326 -1.5264 -1.2987 -1.2833 -0.8470 -0.8391 -0.3074 -0.2985 -0.0001 0.0038 0.9487 0.9552 1.7921 1.7995 1.8413 1.8483 10.5198 10.5240 10.6140 10.6220 11.0847 11.0864 11.8240 11.8332 k = 0.5000 0.4601 0.2789 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5597 -20.5597 -17.0683 -17.0619 -16.5364 -16.5286 -16.4647 -16.4640 -6.9028 -6.9019 -5.3258 -5.3103 -4.3158 -4.2992 -4.0792 -4.0726 -1.5221 -1.5158 -1.2905 -1.2749 -0.8504 -0.8428 -0.3269 -0.3177 -0.0352 -0.0316 0.9293 0.9356 1.8013 1.8084 1.8472 1.8539 10.5296 10.5338 10.6153 10.6231 11.0908 11.0920 11.8121 11.8213 k = 0.5000 0.4601 0.2642 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5594 -20.5593 -17.0739 -17.0678 -16.5311 -16.5236 -16.4660 -16.4653 -6.8895 -6.8886 -5.3165 -5.3012 -4.3075 -4.2912 -4.0897 -4.0833 -1.5100 -1.5036 -1.2810 -1.2653 -0.8537 -0.8464 -0.3480 -0.3385 -0.0720 -0.0687 0.9112 0.9172 1.8106 1.8174 1.8532 1.8596 10.5396 10.5440 10.6176 10.6252 11.0957 11.0965 11.7996 11.8087 k = 0.5000 0.4601 0.2496 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5590 -20.5590 -17.0792 -17.0735 -16.5260 -16.5189 -16.4672 -16.4665 -6.8768 -6.8759 -5.3077 -5.2929 -4.2989 -4.2829 -4.0998 -4.0935 -1.4963 -1.4898 -1.2703 -1.2544 -0.8569 -0.8499 -0.3704 -0.3608 -0.1103 -0.1074 0.8942 0.9000 1.8200 1.8265 1.8593 1.8653 10.5500 10.5544 10.6208 10.6283 11.0993 11.0997 11.7864 11.7955 k = 0.5000 0.4601 0.2349 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5587 -20.5587 -17.0843 -17.0789 -16.5212 -16.5143 -16.4684 -16.4677 -6.8646 -6.8637 -5.2996 -5.2852 -4.2900 -4.2745 -4.1094 -4.1033 -1.4809 -1.4744 -1.2584 -1.2424 -0.8599 -0.8533 -0.3943 -0.3844 -0.1499 -0.1474 0.8784 0.8840 1.8293 1.8354 1.8653 1.8709 10.5606 10.5650 10.6250 10.6323 11.1015 11.1017 11.7727 11.7817 k = 0.5000 0.4601 0.2202 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5584 -20.5584 -17.0891 -17.0840 -16.5166 -16.5101 -16.4695 -16.4688 -6.8530 -6.8522 -5.2921 -5.2783 -4.2810 -4.2660 -4.1185 -4.1126 -1.4639 -1.4573 -1.2453 -1.2292 -0.8628 -0.8564 -0.4194 -0.4094 -0.1907 -0.1884 0.8639 0.8691 1.8384 1.8443 1.8712 1.8765 10.5715 10.5760 10.6301 10.6371 11.1022 11.1027 11.7587 11.7675 k = 0.5000 0.4601 0.2055 ( 5756 PWs) bands (ev): -94.7303 -94.7303 -20.5581 -20.5581 -17.0936 -17.0889 -16.5122 -16.5061 -16.4705 -16.4698 -6.8421 -6.8413 -5.2852 -5.2720 -4.2718 -4.2575 -4.1271 -4.1214 -1.4453 -1.4388 -1.2311 -1.2149 -0.8654 -0.8593 -0.4458 -0.4356 -0.2323 -0.2304 0.8504 0.8553 1.8474 1.8530 1.8770 1.8820 10.5827 10.5871 10.6360 10.6427 11.1017 11.1025 11.7445 11.7531 k = 0.5000 0.4601 0.1908 ( 5768 PWs) bands (ev): -94.7303 -94.7303 -20.5578 -20.5578 -17.0979 -17.0935 -16.5082 -16.5023 -16.4715 -16.4707 -6.8319 -6.8311 -5.2789 -5.2663 -4.2627 -4.2490 -4.1351 -4.1297 -1.4253 -1.4187 -1.2158 -1.1996 -0.8677 -0.8618 -0.4732 -0.4630 -0.2745 -0.2729 0.8381 0.8427 1.8561 1.8614 1.8826 1.8873 10.5939 10.5984 10.6426 10.6489 11.1000 11.1011 11.7302 11.7386 k = 0.5000 0.4601 0.1762 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5576 -20.5575 -17.1019 -17.0978 -16.5044 -16.4989 -16.4723 -16.4716 -6.8223 -6.8216 -5.2731 -5.2614 -4.2538 -4.2408 -4.1425 -4.1374 -1.4038 -1.3973 -1.1996 -1.1833 -0.8696 -0.8638 -0.5016 -0.4913 -0.3171 -0.3157 0.8269 0.8312 1.8645 1.8695 1.8880 1.8924 10.6053 10.6098 10.6497 10.6557 11.0972 11.0986 11.7161 11.7241 k = 0.5000 0.4601 0.1615 ( 5772 PWs) bands (ev): -94.7303 -94.7303 -20.5573 -20.5573 -17.1055 -17.1018 -16.5009 -16.4957 -16.4731 -16.4723 -6.8135 -6.8128 -5.2679 -5.2570 -4.2451 -4.2328 -4.1493 -4.1445 -1.3810 -1.3746 -1.1825 -1.1663 -0.8709 -0.8653 -0.5308 -0.5206 -0.3598 -0.3585 0.8167 0.8207 1.8725 1.8771 1.8932 1.8973 10.6166 10.6211 10.6573 10.6629 11.0935 11.0950 11.7022 11.7099 k = 0.5000 0.4601 0.1468 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.5571 -20.5571 -17.1089 -17.1055 -16.4977 -16.4929 -16.4737 -16.4730 -6.8054 -6.8047 -5.2633 -5.2532 -4.2367 -4.2253 -4.1555 -4.1510 -1.3571 -1.3507 -1.1648 -1.1486 -0.8715 -0.8661 -0.5608 -0.5507 -0.4025 -0.4011 0.8076 0.8112 1.8800 1.8843 1.8982 1.9019 10.6278 10.6323 10.6653 10.6704 11.0889 11.0906 11.6887 11.6960 k = 0.5000 0.4601 0.1321 ( 5766 PWs) bands (ev): -94.7303 -94.7303 -20.5569 -20.5569 -17.1119 -17.1088 -16.4948 -16.4904 -16.4742 -16.4735 -6.7980 -6.7974 -5.2591 -5.2499 -4.2288 -4.2182 -4.1610 -4.1568 -1.3321 -1.3260 -1.1465 -1.1304 -0.8713 -0.8660 -0.5913 -0.5813 -0.4447 -0.4432 0.7994 0.8027 1.8869 1.8909 1.9028 1.9062 10.6387 10.6431 10.6734 10.6780 11.0837 11.0855 11.6759 11.6827 k = 0.5000 0.4601 0.1174 ( 5758 PWs) bands (ev): -94.7303 -94.7303 -20.5567 -20.5567 -17.1147 -17.1119 -16.4922 -16.4883 -16.4745 -16.4739 -6.7914 -6.7909 -5.2554 -5.2471 -4.2214 -4.2118 -4.1657 -4.1620 -1.3065 -1.3005 -1.1278 -1.1121 -0.8699 -0.8648 -0.6221 -0.6123 -0.4863 -0.4844 0.7922 0.7951 1.8932 1.8968 1.9072 1.9103 10.6492 10.6535 10.6815 10.6856 11.0780 11.0798 11.6639 11.6702 k = 0.5000 0.4601 0.1028 ( 5764 PWs) bands (ev): -94.7303 -94.7303 -20.5565 -20.5565 -17.1171 -17.1146 -16.4901 -16.4866 -16.4747 -16.4741 -6.7856 -6.7851 -5.2522 -5.2449 -4.2148 -4.2062 -4.1698 -4.1664 -1.2805 -1.2748 -1.1092 -1.0939 -0.8672 -0.8622 -0.6529 -0.6435 -0.5268 -0.5245 0.7860 0.7885 1.8989 1.9021 1.9113 1.9139 10.6591 10.6631 10.6895 10.6931 11.0721 11.0738 11.6528 11.6585 k = 0.5000 0.4601 0.0881 ( 5764 PWs) bands (ev): -94.7303 -94.7303 -20.5564 -20.5564 -17.1191 -17.1170 -16.4882 -16.4853 -16.4747 -16.4742 -6.7805 -6.7801 -5.2494 -5.2430 -4.2090 -4.2015 -4.1730 -4.1700 -1.2546 -1.2493 -1.0908 -1.0762 -0.8627 -0.8580 -0.6833 -0.6743 -0.5659 -0.5632 0.7806 0.7828 1.9038 1.9065 1.9150 1.9172 10.6681 10.6719 10.6972 10.7003 11.0661 11.0678 11.6429 11.6479 k = 0.5000 0.4601 0.0734 ( 5758 PWs) bands (ev): -94.7303 -94.7303 -20.5563 -20.5563 -17.1208 -17.1191 -16.4868 -16.4844 -16.4745 -16.4742 -6.7762 -6.7758 -5.2470 -5.2416 -4.2043 -4.1979 -4.1752 -4.1728 -1.2294 -1.2246 -1.0732 -1.0597 -0.8561 -0.8517 -0.7126 -0.7043 -0.6033 -0.6003 0.7762 0.7780 1.9080 1.9102 1.9184 1.9201 10.6762 10.6796 10.7044 10.7069 11.0605 11.0620 11.6343 11.6386 k = 0.5000 0.4601 0.0587 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5562 -20.5562 -17.1222 -17.1208 -16.4857 -16.4838 -16.4743 -16.4741 -6.7726 -6.7724 -5.2449 -5.2406 -4.2006 -4.1955 -4.1764 -4.1747 -1.2058 -1.2016 -1.0569 -1.0447 -0.8472 -0.8431 -0.7401 -0.7327 -0.6385 -0.6353 0.7726 0.7740 1.9114 1.9132 1.9213 1.9226 10.6831 10.6860 10.7108 10.7128 11.0553 11.0567 11.6271 11.6306 k = 0.5000 0.4601 0.0440 ( 5766 PWs) bands (ev): -94.7303 -94.7303 -20.5561 -20.5561 -17.1233 -17.1222 -16.4848 -16.4835 -16.4739 -16.4739 -6.7699 -6.7697 -5.2432 -5.2400 -4.1980 -4.1944 -4.1768 -4.1757 -1.1850 -1.1817 -1.0422 -1.0321 -0.8359 -0.8321 -0.7641 -0.7583 -0.6709 -0.6677 0.7698 0.7709 1.9141 1.9154 1.9236 1.9246 10.6887 10.6909 10.7162 10.7178 11.0510 11.0521 11.6215 11.6241 k = 0.5000 0.4601 0.0294 ( 5762 PWs) bands (ev): -94.7303 -94.7303 -20.5561 -20.5561 -17.1240 -17.1233 -16.4842 -16.4834 -16.4737 -16.4737 -6.7679 -6.7678 -5.2419 -5.2397 -4.1963 -4.1941 -4.1766 -4.1760 -1.1684 -1.1660 -1.0300 -1.0226 -0.8231 -0.8192 -0.7828 -0.7793 -0.6994 -0.6966 0.7679 0.7687 1.9160 1.9168 1.9254 1.9260 10.6929 10.6944 10.7204 10.7214 11.0478 11.0485 11.6175 11.6193 k = 0.5000 0.4601 0.0147 ( 5750 PWs) bands (ev): -94.7303 -94.7303 -20.5560 -20.5560 -17.1243 -17.1240 -16.4838 -16.4834 -16.4735 -16.4735 -6.7667 -6.7666 -5.2408 -5.2397 -4.1953 -4.1943 -4.1763 -4.1760 -1.1574 -1.1561 -1.0211 -1.0171 -0.8121 -0.8080 -0.7926 -0.7925 -0.7214 -0.7195 0.7669 0.7672 1.9173 1.9177 1.9265 1.9268 10.6956 10.6964 10.7231 10.7236 11.0458 11.0462 11.6153 11.6162 k = 0.5000 0.4601 0.0000 ( 5746 PWs) bands (ev): -94.7303 -94.7303 -20.5560 -20.5560 -17.1243 -17.1243 -16.4836 -16.4836 -16.4734 -16.4734 -6.7663 -6.7663 -5.2401 -5.2401 -4.1947 -4.1947 -4.1761 -4.1761 -1.1531 -1.1531 -1.0165 -1.0165 -0.8074 -0.8074 -0.7935 -0.7935 -0.7300 -0.7300 0.7667 0.7667 1.9178 1.9178 1.9270 1.9270 10.6968 10.6968 10.7242 10.7242 11.0453 11.0453 11.6148 11.6148 k = 0.0000 0.0000 0.7384 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8724 -16.8724 -16.7082 -16.7082 -16.4276 -16.4276 -7.2577 -7.2577 -5.6248 -5.6248 -4.3768 -4.3768 -3.8103 -3.8103 -1.4835 -1.4835 -1.1471 -1.1471 -0.5501 -0.5501 -0.5344 -0.5344 0.2905 0.2905 1.6177 1.6177 1.6474 1.6474 1.7745 1.7745 10.2835 10.2835 10.7742 10.7742 10.9735 10.9735 11.8530 11.8530 k = 0.0109 0.0100 0.7384 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8727 -16.8721 -16.7083 -16.7082 -16.4280 -16.4273 -7.2576 -7.2575 -5.6249 -5.6239 -4.3773 -4.3771 -3.8118 -3.8110 -1.4832 -1.4821 -1.1477 -1.1471 -0.5502 -0.5492 -0.5337 -0.5332 0.2907 0.2908 1.6171 1.6172 1.6455 1.6470 1.7740 1.7760 10.2831 10.2834 10.7700 10.7758 10.9720 10.9776 11.8511 11.8513 k = 0.0217 0.0200 0.7384 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8730 -16.8717 -16.7083 -16.7082 -16.4284 -16.4270 -7.2572 -7.2571 -5.6242 -5.6222 -4.3786 -4.3782 -3.8155 -3.8138 -1.4811 -1.4788 -1.1490 -1.1478 -0.5496 -0.5474 -0.5313 -0.5302 0.2913 0.2915 1.6153 1.6155 1.6415 1.6443 1.7745 1.7784 10.2822 10.2828 10.7637 10.7749 10.9731 10.9839 11.8456 11.8461 k = 0.0326 0.0300 0.7384 ( 5792 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8732 -16.8714 -16.7083 -16.7082 -16.4288 -16.4268 -7.2565 -7.2564 -5.6227 -5.6197 -4.3806 -4.3800 -3.8212 -3.8187 -1.4773 -1.4739 -1.1508 -1.1490 -0.5482 -0.5449 -0.5270 -0.5255 0.2923 0.2926 1.6122 1.6127 1.6356 1.6394 1.7760 1.7815 10.2809 10.2818 10.7556 10.7714 10.9769 10.9921 11.8369 11.8375 k = 0.0435 0.0400 0.7384 ( 5796 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8735 -16.8709 -16.7084 -16.7082 -16.4293 -16.4266 -7.2556 -7.2554 -5.6204 -5.6165 -4.3833 -4.3825 -3.8289 -3.8256 -1.4719 -1.4675 -1.1532 -1.1509 -0.5460 -0.5416 -0.5211 -0.5192 0.2937 0.2942 1.6079 1.6088 1.6282 1.6326 1.7782 1.7851 10.2791 10.2803 10.7463 10.7659 10.9828 11.0017 11.8251 11.8259 k = 0.0543 0.0500 0.7384 ( 5798 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5693 -16.8736 -16.8705 -16.7084 -16.7083 -16.4298 -16.4264 -7.2545 -7.2542 -5.6175 -5.6126 -4.3867 -4.3857 -3.8385 -3.8344 -1.4651 -1.4595 -1.1560 -1.1532 -0.5431 -0.5376 -0.5137 -0.5114 0.2956 0.2961 1.6023 1.6039 1.6197 1.6241 1.7809 1.7889 10.2769 10.2785 10.7361 10.7588 10.9904 11.0122 11.8108 11.8119 k = 0.0652 0.0600 0.7384 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5693 -20.5692 -16.8738 -16.8701 -16.7085 -16.7083 -16.4303 -16.4262 -7.2531 -7.2527 -5.6139 -5.6080 -4.3907 -4.3895 -3.8497 -3.8447 -1.4570 -1.4503 -1.1592 -1.1559 -0.5395 -0.5329 -0.5049 -0.5023 0.2978 0.2985 1.5951 1.5979 1.6106 1.6142 1.7840 1.7928 10.2744 10.2762 10.7253 10.7504 10.9993 11.0234 11.7946 11.7957 k = 0.0761 0.0700 0.7384 ( 5786 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8739 -16.8696 -16.7086 -16.7083 -16.4308 -16.4261 -7.2515 -7.2511 -5.6097 -5.6029 -4.3952 -4.3938 -3.8623 -3.8565 -1.4478 -1.4401 -1.1627 -1.1590 -0.5352 -0.5275 -0.4950 -0.4921 0.3004 0.3013 1.5864 1.5910 1.6014 1.6034 1.7871 1.7967 10.2715 10.2736 10.7143 10.7413 11.0090 11.0348 11.7767 11.7780 k = 0.0870 0.0800 0.7384 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8740 -16.8691 -16.7086 -16.7084 -16.4313 -16.4261 -7.2498 -7.2493 -5.6049 -5.5972 -4.4001 -4.3986 -3.8762 -3.8696 -1.4378 -1.4291 -1.1664 -1.1623 -0.5304 -0.5215 -0.4841 -0.4810 0.3034 0.3044 1.5761 1.5831 1.5920 1.5923 1.7903 1.8003 10.2684 10.2708 10.7032 10.7318 11.0192 11.0464 11.7579 11.7593 k = 0.0978 0.0900 0.7384 ( 5782 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8740 -16.8687 -16.7087 -16.7084 -16.4319 -16.4260 -7.2479 -7.2474 -5.5997 -5.5911 -4.4054 -4.4037 -3.8909 -3.8836 -1.4272 -1.4174 -1.1702 -1.1657 -0.5249 -0.5150 -0.4726 -0.4693 0.3068 0.3079 1.5646 1.5739 1.5806 1.5832 1.7934 1.8038 10.2650 10.2677 10.6923 10.7221 11.0296 11.0578 11.7385 11.7400 k = 0.1087 0.1000 0.7384 ( 5778 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8741 -16.8682 -16.7088 -16.7084 -16.4324 -16.4260 -7.2459 -7.2454 -5.5941 -5.5846 -4.4109 -4.4091 -3.9064 -3.8982 -1.4162 -1.4054 -1.1740 -1.1692 -0.5190 -0.5081 -0.4607 -0.4572 0.3105 0.3118 1.5523 1.5628 1.5701 1.5740 1.7963 1.8071 10.2615 10.2644 10.6818 10.7125 11.0399 11.0689 11.7189 11.7205 k = 0.1196 0.1100 0.7384 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8741 -16.8677 -16.7089 -16.7085 -16.4329 -16.4260 -7.2439 -7.2433 -5.5883 -5.5779 -4.4166 -4.4146 -3.9222 -3.9133 -1.4050 -1.3933 -1.1777 -1.1727 -0.5127 -0.5008 -0.4486 -0.4449 0.3144 0.3158 1.5396 1.5505 1.5603 1.5648 1.7991 1.8101 10.2579 10.2610 10.6716 10.7031 11.0500 11.0797 11.6995 11.7012 k = 0.1304 0.1200 0.7384 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8741 -16.8673 -16.7089 -16.7085 -16.4334 -16.4260 -7.2418 -7.2412 -5.5823 -5.5710 -4.4223 -4.4202 -3.9381 -3.9285 -1.3940 -1.3813 -1.1814 -1.1762 -0.5062 -0.4933 -0.4365 -0.4327 0.3185 0.3201 1.5268 1.5377 1.5508 1.5555 1.8016 1.8128 10.2542 10.2576 10.6620 10.6941 11.0596 11.0899 11.6808 11.6825 k = 0.1413 0.1300 0.7384 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5692 -16.8741 -16.8669 -16.7090 -16.7086 -16.4339 -16.4261 -7.2397 -7.2391 -5.5763 -5.5642 -4.4280 -4.4257 -3.9539 -3.9435 -1.3832 -1.3696 -1.1848 -1.1795 -0.4994 -0.4856 -0.4247 -0.4209 0.3228 0.3246 1.5141 1.5250 1.5414 1.5462 1.8039 1.8153 10.2506 10.2542 10.6530 10.6857 11.0688 11.0995 11.6628 11.6646 k = 0.1522 0.1400 0.7384 ( 5798 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5691 -16.8741 -16.8664 -16.7091 -16.7086 -16.4344 -16.4261 -7.2377 -7.2370 -5.5703 -5.5574 -4.4335 -4.4311 -3.9692 -3.9581 -1.3729 -1.3585 -1.1881 -1.1826 -0.4927 -0.4780 -0.4134 -0.4095 0.3271 0.3291 1.5018 1.5126 1.5322 1.5372 1.8060 1.8174 10.2471 10.2509 10.6447 10.6778 11.0773 11.1083 11.6460 11.6478 k = 0.1630 0.1500 0.7384 ( 5806 PWs) bands (ev): -94.7303 -94.7303 -20.5692 -20.5691 -16.8741 -16.8661 -16.7092 -16.7087 -16.4349 -16.4262 -7.2358 -7.2351 -5.5646 -5.5510 -4.4387 -4.4362 -3.9837 -3.9721 -1.3632 -1.3481 -1.1911 -1.1854 -0.4860 -0.4706 -0.4027 -0.3988 0.3314 0.3335 1.4901 1.5008 1.5233 1.5284 1.8078 1.8194 10.2438 10.2477 10.6371 10.6706 11.0851 11.1165 11.6304 11.6323 k = 0.1739 0.1600 0.7384 ( 5790 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8740 -16.8657 -16.7092 -16.7087 -16.4353 -16.4262 -7.2340 -7.2333 -5.5591 -5.5448 -4.4435 -4.4410 -3.9973 -3.9850 -1.3544 -1.3385 -1.1938 -1.1880 -0.4796 -0.4635 -0.3929 -0.3889 0.3355 0.3378 1.4792 1.4899 1.5150 1.5202 1.8094 1.8210 10.2407 10.2448 10.6303 10.6641 11.0922 11.1237 11.6163 11.6183 k = 0.1848 0.1700 0.7384 ( 5794 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8740 -16.8654 -16.7093 -16.7088 -16.4356 -16.4263 -7.2324 -7.2316 -5.5541 -5.5392 -4.4479 -4.4453 -4.0096 -3.9968 -1.3465 -1.3300 -1.1962 -1.1903 -0.4737 -0.4569 -0.3841 -0.3801 0.3394 0.3419 1.4693 1.4799 1.5073 1.5126 1.8108 1.8224 10.2378 10.2421 10.6244 10.6584 11.0984 11.1301 11.6039 11.6059 k = 0.1957 0.1801 0.7384 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8740 -16.8651 -16.7093 -16.7088 -16.4360 -16.4263 -7.2310 -7.2302 -5.5496 -5.5342 -4.4518 -4.4491 -4.0204 -4.0071 -1.3396 -1.3226 -1.1982 -1.1923 -0.4683 -0.4510 -0.3764 -0.3724 0.3430 0.3456 1.4606 1.4711 1.5004 1.5059 1.8119 1.8236 10.2354 10.2397 10.6193 10.6536 11.1037 11.1356 11.5932 11.5952 k = 0.2065 0.1901 0.7384 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8740 -16.8649 -16.7094 -16.7088 -16.4362 -16.4264 -7.2298 -7.2289 -5.5458 -5.5300 -4.4551 -4.4523 -4.0295 -4.0159 -1.3339 -1.3165 -1.1999 -1.1940 -0.4637 -0.4459 -0.3699 -0.3660 0.3460 0.3488 1.4533 1.4636 1.4946 1.5002 1.8128 1.8246 10.2333 10.2377 10.6151 10.6495 11.1081 11.1402 11.5843 11.5863 k = 0.2174 0.2001 0.7384 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8739 -16.8647 -16.7094 -16.7089 -16.4364 -16.4264 -7.2288 -7.2279 -5.5428 -5.5266 -4.4577 -4.4549 -4.0368 -4.0229 -1.3293 -1.3116 -1.2012 -1.1953 -0.4600 -0.4418 -0.3648 -0.3609 0.3485 0.3514 1.4474 1.4577 1.4899 1.4955 1.8135 1.8253 10.2316 10.2361 10.6118 10.6464 11.1115 11.1437 11.5773 11.5793 k = 0.2283 0.2101 0.7384 ( 5788 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8739 -16.8646 -16.7094 -16.7089 -16.4366 -16.4265 -7.2281 -7.2272 -5.5405 -5.5241 -4.4596 -4.4568 -4.0422 -4.0280 -1.3261 -1.3081 -1.2021 -1.1962 -0.4572 -0.4388 -0.3612 -0.3572 0.3504 0.3533 1.4431 1.4533 1.4864 1.4922 1.8141 1.8258 10.2304 10.2350 10.6094 10.6441 11.1140 11.1463 11.5722 11.5743 k = 0.2391 0.2201 0.7384 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8739 -16.8645 -16.7094 -16.7089 -16.4367 -16.4265 -7.2277 -7.2268 -5.5392 -5.5225 -4.4607 -4.4579 -4.0454 -4.0311 -1.3241 -1.3059 -1.2027 -1.1968 -0.4555 -0.4370 -0.3589 -0.3550 0.3516 0.3545 1.4405 1.4507 1.4843 1.4901 1.8144 1.8262 10.2296 10.2343 10.6080 10.6428 11.1155 11.1478 11.5692 11.5713 k = 0.2500 0.2301 0.7384 ( 5784 PWs) bands (ev): -94.7303 -94.7303 -20.5691 -20.5691 -16.8739 -16.8645 -16.7095 -16.7089 -16.4367 -16.4265 -7.2275 -7.2266 -5.5387 -5.5220 -4.4611 -4.4583 -4.0465 -4.0321 -1.3234 -1.3052 -1.2029 -1.1970 -0.4549 -0.4364 -0.3582 -0.3542 0.3519 0.3549 1.4396 1.4498 1.4836 1.4894 1.8145 1.8263 10.2294 10.2340 10.6075 10.6423 11.1160 11.1483 11.5682 11.5703 Writing output data file BeSO4.save init_run : 4.26s CPU 11.94s WALL ( 1 calls) electrons : 942.40s CPU 951.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.60s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 942.35s CPU 950.81s WALL ( 1 calls) v_of_rho : 0.31s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.29s CPU 0.66s WALL ( 1 calls) newd : 0.59s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 366 calls) cegterg : 896.60s CPU 902.31s WALL ( 748 calls) Called by sum_band: Called by *egterg: h_psi : 622.68s CPU 631.58s WALL ( 12893 calls) s_psi : 24.08s CPU 24.42s WALL ( 12893 calls) g_psi : 1.22s CPU 1.22s WALL ( 11779 calls) cdiaghg : 157.08s CPU 155.16s WALL ( 12145 calls) cegterg:over : 65.60s CPU 61.86s WALL ( 11779 calls) cegterg:upda : 15.03s CPU 18.50s WALL ( 11779 calls) cegterg:last : 14.70s CPU 15.97s WALL ( 3106 calls) Called by h_psi: h_psi:vloc : 564.55s CPU 571.65s WALL ( 12893 calls) h_psi:vnl : 57.70s CPU 58.90s WALL ( 12893 calls) add_vuspsi : 15.25s CPU 19.88s WALL ( 12893 calls) General routines calbec : 42.41s CPU 38.92s WALL ( 12893 calls) fft : 0.89s CPU 1.62s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 518.41s CPU 521.34s WALL ( 1530516 calls) interpolate : 0.13s CPU 0.14s WALL ( 4 calls) davcio : 0.06s CPU 2.07s WALL ( 732 calls) Parallel routines fft_scatter : 294.78s CPU 293.43s WALL ( 1530539 calls) PWSCF : 16m45.16s CPU 17m57.39s WALL This run was terminated on: 8:39:51 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=