Program PWSCF v.5.1.1 starts on 18Oct2015 at 6:39:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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 4229 954 143 Max 114 43 12 4232 979 147 Sum 5425 2023 573 203049 46217 6967 bravais-lattice index = 14 lattice parameter (alat) = 8.8556 a.u. unit-cell volume = 468.3176 (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)= 8.855562 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.542005 celldm(5)= -0.542005 celldm(6)= 0.084011 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.084011 0.996465 0.000000 ) a(3) = ( -0.542005 -0.498232 0.676753 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.084309 0.738822 ) b(2) = ( 0.000000 1.003548 0.738822 ) b(3) = ( 0.000000 0.000000 1.477644 ) 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= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0000000 0.0000000 0.0147764), wk = 0.0027248 k( 3) = ( 0.0000000 0.0000000 0.0295529), wk = 0.0027248 k( 4) = ( 0.0000000 0.0000000 0.0443293), wk = 0.0027248 k( 5) = ( 0.0000000 0.0000000 0.0591058), wk = 0.0027248 k( 6) = ( 0.0000000 0.0000000 0.0738822), wk = 0.0027248 k( 7) = ( 0.0000000 0.0000000 0.0886586), wk = 0.0027248 k( 8) = ( 0.0000000 0.0000000 0.1034351), wk = 0.0027248 k( 9) = ( 0.0000000 0.0000000 0.1182115), wk = 0.0027248 k( 10) = ( 0.0000000 0.0000000 0.1329880), wk = 0.0027248 k( 11) = ( 0.0000000 0.0000000 0.1477644), wk = 0.0027248 k( 12) = ( 0.0000000 0.0000000 0.1625408), wk = 0.0027248 k( 13) = ( 0.0000000 0.0000000 0.1773173), wk = 0.0027248 k( 14) = ( 0.0000000 0.0000000 0.1920937), wk = 0.0027248 k( 15) = ( 0.0000000 0.0000000 0.2068702), wk = 0.0027248 k( 16) = ( 0.0000000 0.0000000 0.2216466), wk = 0.0027248 k( 17) = ( 0.0000000 0.0000000 0.2364230), wk = 0.0027248 k( 18) = ( 0.0000000 0.0000000 0.2511995), wk = 0.0027248 k( 19) = ( 0.0000000 0.0000000 0.2659759), wk = 0.0027248 k( 20) = ( 0.0000000 0.0000000 0.2807524), wk = 0.0027248 k( 21) = ( 0.0000000 0.0000000 0.2955288), wk = 0.0027248 k( 22) = ( 0.0000000 0.0000000 0.3103053), wk = 0.0027248 k( 23) = ( 0.0000000 0.0000000 0.3250817), wk = 0.0027248 k( 24) = ( 0.0000000 0.0000000 0.3398581), wk = 0.0027248 k( 25) = ( 0.0000000 0.0000000 0.3546346), wk = 0.0027248 k( 26) = ( 0.0000000 0.0000000 0.3694110), wk = 0.0027248 k( 27) = ( 0.0000000 0.0000000 0.3841875), wk = 0.0027248 k( 28) = ( 0.0000000 0.0000000 0.3989639), wk = 0.0027248 k( 29) = ( 0.0000000 0.0000000 0.4137403), wk = 0.0027248 k( 30) = ( 0.0000000 0.0000000 0.4285168), wk = 0.0027248 k( 31) = ( 0.0000000 0.0000000 0.4432932), wk = 0.0027248 k( 32) = ( 0.0000000 0.0000000 0.4580697), wk = 0.0027248 k( 33) = ( 0.0000000 0.0000000 0.4728461), wk = 0.0027248 k( 34) = ( 0.0000000 0.0000000 0.4876225), wk = 0.0027248 k( 35) = ( 0.0000000 0.0000000 0.5023990), wk = 0.0027248 k( 36) = ( 0.0000000 0.0000000 0.5171754), wk = 0.0027248 k( 37) = ( 0.0000000 0.0000000 0.5319519), wk = 0.0027248 k( 38) = ( 0.0000000 0.0000000 0.5467283), wk = 0.0027248 k( 39) = ( 0.0000000 0.0000000 0.5615047), wk = 0.0027248 k( 40) = ( 0.0000000 0.0000000 0.5762812), wk = 0.0027248 k( 41) = ( 0.0000000 0.0000000 0.5910576), wk = 0.0027248 k( 42) = ( 0.0000000 0.0000000 0.6058341), wk = 0.0027248 k( 43) = ( 0.0000000 0.0000000 0.6206105), wk = 0.0027248 k( 44) = ( 0.0000000 0.0000000 0.6353869), wk = 0.0027248 k( 45) = ( 0.0000000 0.0000000 0.6501634), wk = 0.0027248 k( 46) = ( 0.0000000 0.0000000 0.6649398), wk = 0.0027248 k( 47) = ( 0.0000000 0.0000000 0.6797163), wk = 0.0027248 k( 48) = ( 0.0000000 0.0000000 0.6944927), wk = 0.0027248 k( 49) = ( 0.0000000 0.0000000 0.7092691), wk = 0.0027248 k( 50) = ( 0.0000000 0.0000000 0.7240456), wk = 0.0027248 k( 51) = ( 0.0000000 0.0000000 0.7388220), wk = 0.0027248 k( 52) = ( 0.0000000 0.0000000 0.7388220), wk = 0.0027248 k( 53) = ( -0.0100595 0.0109433 0.7388220), wk = 0.0027248 k( 54) = ( -0.0201190 0.0218866 0.7388220), wk = 0.0027248 k( 55) = ( -0.0301786 0.0328300 0.7388220), wk = 0.0027248 k( 56) = ( -0.0402381 0.0437733 0.7388220), wk = 0.0027248 k( 57) = ( -0.0502976 0.0547166 0.7388220), wk = 0.0027248 k( 58) = ( -0.0603571 0.0656599 0.7388220), wk = 0.0027248 k( 59) = ( -0.0704167 0.0766032 0.7388220), wk = 0.0027248 k( 60) = ( -0.0804762 0.0875466 0.7388220), wk = 0.0027248 k( 61) = ( -0.0905357 0.0984899 0.7388220), wk = 0.0027248 k( 62) = ( -0.1005952 0.1094332 0.7388220), wk = 0.0027248 k( 63) = ( -0.1106548 0.1203765 0.7388220), wk = 0.0027248 k( 64) = ( -0.1207143 0.1313198 0.7388220), wk = 0.0027248 k( 65) = ( -0.1307738 0.1422632 0.7388220), wk = 0.0027248 k( 66) = ( -0.1408333 0.1532065 0.7388220), wk = 0.0027248 k( 67) = ( -0.1508929 0.1641498 0.7388220), wk = 0.0027248 k( 68) = ( -0.1609524 0.1750931 0.7388220), wk = 0.0027248 k( 69) = ( -0.1710119 0.1860364 0.7388220), wk = 0.0027248 k( 70) = ( -0.1810714 0.1969797 0.7388220), wk = 0.0027248 k( 71) = ( -0.1911309 0.2079231 0.7388220), wk = 0.0027248 k( 72) = ( -0.2011905 0.2188664 0.7388220), wk = 0.0027248 k( 73) = ( -0.2112500 0.2298097 0.7388220), wk = 0.0027248 k( 74) = ( -0.2112500 0.2298097 0.7388220), wk = 0.0027248 k( 75) = ( -0.2181250 0.2372887 0.7286632), wk = 0.0027248 k( 76) = ( -0.2250000 0.2447677 0.7185044), wk = 0.0027248 k( 77) = ( -0.2318750 0.2522467 0.7083456), wk = 0.0027248 k( 78) = ( -0.2387500 0.2597258 0.6981868), wk = 0.0027248 k( 79) = ( -0.2456250 0.2672048 0.6880280), wk = 0.0027248 k( 80) = ( -0.2525000 0.2746838 0.6778692), wk = 0.0027248 k( 81) = ( -0.2593750 0.2821628 0.6677104), wk = 0.0027248 k( 82) = ( -0.2662500 0.2896418 0.6575516), wk = 0.0027248 k( 83) = ( -0.2731250 0.2971208 0.6473928), wk = 0.0027248 k( 84) = ( -0.2800000 0.3045998 0.6372340), wk = 0.0027248 k( 85) = ( -0.2868750 0.3120789 0.6270752), wk = 0.0027248 k( 86) = ( -0.2937500 0.3195579 0.6169164), wk = 0.0027248 k( 87) = ( -0.3006250 0.3270369 0.6067576), wk = 0.0027248 k( 88) = ( -0.3075000 0.3345159 0.5965988), wk = 0.0027248 k( 89) = ( -0.3143750 0.3419949 0.5864400), wk = 0.0027248 k( 90) = ( -0.3212500 0.3494739 0.5762812), wk = 0.0027248 k( 91) = ( -0.3281250 0.3569529 0.5661224), wk = 0.0027248 k( 92) = ( -0.3350000 0.3644320 0.5559636), wk = 0.0027248 k( 93) = ( -0.3418750 0.3719110 0.5458048), wk = 0.0027248 k( 94) = ( -0.3487500 0.3793900 0.5356460), wk = 0.0027248 k( 95) = ( -0.3556250 0.3868690 0.5254872), wk = 0.0027248 k( 96) = ( -0.3556250 0.3868690 0.5254872), wk = 0.0027248 k( 97) = ( -0.3485125 0.3791316 0.5149774), wk = 0.0027248 k( 98) = ( -0.3414000 0.3713942 0.5044677), wk = 0.0027248 k( 99) = ( -0.3342875 0.3636569 0.4939579), wk = 0.0027248 k( 100) = ( -0.3271750 0.3559195 0.4834482), wk = 0.0027248 k( 101) = ( -0.3200625 0.3481821 0.4729385), wk = 0.0027248 k( 102) = ( -0.3129500 0.3404447 0.4624287), wk = 0.0027248 k( 103) = ( -0.3058375 0.3327073 0.4519190), wk = 0.0027248 k( 104) = ( -0.2987250 0.3249700 0.4414092), wk = 0.0027248 k( 105) = ( -0.2916125 0.3172326 0.4308995), wk = 0.0027248 k( 106) = ( -0.2845000 0.3094952 0.4203897), wk = 0.0027248 k( 107) = ( -0.2773875 0.3017578 0.4098800), wk = 0.0027248 k( 108) = ( -0.2702750 0.2940204 0.3993702), wk = 0.0027248 k( 109) = ( -0.2631625 0.2862831 0.3888605), wk = 0.0027248 k( 110) = ( -0.2560500 0.2785457 0.3783508), wk = 0.0027248 k( 111) = ( -0.2489375 0.2708083 0.3678410), wk = 0.0027248 k( 112) = ( -0.2418250 0.2630709 0.3573313), wk = 0.0027248 k( 113) = ( -0.2347125 0.2553335 0.3468215), wk = 0.0027248 k( 114) = ( -0.2276000 0.2475962 0.3363118), wk = 0.0027248 k( 115) = ( -0.2204875 0.2398588 0.3258020), wk = 0.0027248 k( 116) = ( -0.2133750 0.2321214 0.3152923), wk = 0.0027248 k( 117) = ( -0.2062625 0.2243840 0.3047826), wk = 0.0027248 k( 118) = ( -0.1991500 0.2166466 0.2942728), wk = 0.0027248 k( 119) = ( -0.1920375 0.2089093 0.2837631), wk = 0.0027248 k( 120) = ( -0.1849250 0.2011719 0.2732533), wk = 0.0027248 k( 121) = ( -0.1778125 0.1934345 0.2627436), wk = 0.0027248 k( 122) = ( -0.1707000 0.1856971 0.2522338), wk = 0.0027248 k( 123) = ( -0.1635875 0.1779597 0.2417241), wk = 0.0027248 k( 124) = ( -0.1564750 0.1702224 0.2312144), wk = 0.0027248 k( 125) = ( -0.1493625 0.1624850 0.2207046), wk = 0.0027248 k( 126) = ( -0.1422500 0.1547476 0.2101949), wk = 0.0027248 k( 127) = ( -0.1351375 0.1470102 0.1996851), wk = 0.0027248 k( 128) = ( -0.1280250 0.1392728 0.1891754), wk = 0.0027248 k( 129) = ( -0.1209125 0.1315355 0.1786656), wk = 0.0027248 k( 130) = ( -0.1138000 0.1237981 0.1681559), wk = 0.0027248 k( 131) = ( -0.1066875 0.1160607 0.1576462), wk = 0.0027248 k( 132) = ( -0.0995750 0.1083233 0.1471364), wk = 0.0027248 k( 133) = ( -0.0924625 0.1005859 0.1366267), wk = 0.0027248 k( 134) = ( -0.0853500 0.0928486 0.1261169), wk = 0.0027248 k( 135) = ( -0.0782375 0.0851112 0.1156072), wk = 0.0027248 k( 136) = ( -0.0711250 0.0773738 0.1050974), wk = 0.0027248 k( 137) = ( -0.0640125 0.0696364 0.0945877), wk = 0.0027248 k( 138) = ( -0.0569000 0.0618990 0.0840779), wk = 0.0027248 k( 139) = ( -0.0497875 0.0541617 0.0735682), wk = 0.0027248 k( 140) = ( -0.0426750 0.0464243 0.0630585), wk = 0.0027248 k( 141) = ( -0.0355625 0.0386869 0.0525487), wk = 0.0027248 k( 142) = ( -0.0284500 0.0309495 0.0420390), wk = 0.0027248 k( 143) = ( -0.0213375 0.0232121 0.0315292), wk = 0.0027248 k( 144) = ( -0.0142250 0.0154748 0.0210195), wk = 0.0027248 k( 145) = ( -0.0071125 0.0077374 0.0105097), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 148) = ( 0.0108696 0.0099917 0.0000000), wk = 0.0027248 k( 149) = ( 0.0217391 0.0199835 0.0000000), wk = 0.0027248 k( 150) = ( 0.0326087 0.0299752 0.0000000), wk = 0.0027248 k( 151) = ( 0.0434783 0.0399669 0.0000000), wk = 0.0027248 k( 152) = ( 0.0543478 0.0499586 0.0000000), wk = 0.0027248 k( 153) = ( 0.0652174 0.0599504 0.0000000), wk = 0.0027248 k( 154) = ( 0.0760870 0.0699421 0.0000000), wk = 0.0027248 k( 155) = ( 0.0869565 0.0799338 0.0000000), wk = 0.0027248 k( 156) = ( 0.0978261 0.0899255 0.0000000), wk = 0.0027248 k( 157) = ( 0.1086957 0.0999173 0.0000000), wk = 0.0027248 k( 158) = ( 0.1195652 0.1099090 0.0000000), wk = 0.0027248 k( 159) = ( 0.1304348 0.1199007 0.0000000), wk = 0.0027248 k( 160) = ( 0.1413043 0.1298924 0.0000000), wk = 0.0027248 k( 161) = ( 0.1521739 0.1398842 0.0000000), wk = 0.0027248 k( 162) = ( 0.1630435 0.1498759 0.0000000), wk = 0.0027248 k( 163) = ( 0.1739130 0.1598676 0.0000000), wk = 0.0027248 k( 164) = ( 0.1847826 0.1698593 0.0000000), wk = 0.0027248 k( 165) = ( 0.1956522 0.1798511 0.0000000), wk = 0.0027248 k( 166) = ( 0.2065217 0.1898428 0.0000000), wk = 0.0027248 k( 167) = ( 0.2173913 0.1998345 0.0000000), wk = 0.0027248 k( 168) = ( 0.2282609 0.2098263 0.0000000), wk = 0.0027248 k( 169) = ( 0.2391304 0.2198180 0.0000000), wk = 0.0027248 k( 170) = ( 0.2500000 0.2298097 0.0000000), wk = 0.0027248 k( 171) = ( 0.2608696 0.2398014 0.0000000), wk = 0.0027248 k( 172) = ( 0.2717391 0.2497932 0.0000000), wk = 0.0027248 k( 173) = ( 0.2826087 0.2597849 0.0000000), wk = 0.0027248 k( 174) = ( 0.2934783 0.2697766 0.0000000), wk = 0.0027248 k( 175) = ( 0.3043478 0.2797683 0.0000000), wk = 0.0027248 k( 176) = ( 0.3152174 0.2897601 0.0000000), wk = 0.0027248 k( 177) = ( 0.3260870 0.2997518 0.0000000), wk = 0.0027248 k( 178) = ( 0.3369565 0.3097435 0.0000000), wk = 0.0027248 k( 179) = ( 0.3478261 0.3197352 0.0000000), wk = 0.0027248 k( 180) = ( 0.3586956 0.3297270 0.0000000), wk = 0.0027248 k( 181) = ( 0.3695652 0.3397187 0.0000000), wk = 0.0027248 k( 182) = ( 0.3804348 0.3497104 0.0000000), wk = 0.0027248 k( 183) = ( 0.3913044 0.3597021 0.0000000), wk = 0.0027248 k( 184) = ( 0.4021739 0.3696939 0.0000000), wk = 0.0027248 k( 185) = ( 0.4130435 0.3796856 0.0000000), wk = 0.0027248 k( 186) = ( 0.4239130 0.3896773 0.0000000), wk = 0.0027248 k( 187) = ( 0.4347826 0.3996691 0.0000000), wk = 0.0027248 k( 188) = ( 0.4456522 0.4096608 0.0000000), wk = 0.0027248 k( 189) = ( 0.4565217 0.4196525 0.0000000), wk = 0.0027248 k( 190) = ( 0.4673913 0.4296442 0.0000000), wk = 0.0027248 k( 191) = ( 0.4782609 0.4396360 0.0000000), wk = 0.0027248 k( 192) = ( 0.4891304 0.4496277 0.0000000), wk = 0.0027248 k( 193) = ( 0.5000000 0.4596194 0.0000000), wk = 0.0027248 k( 194) = ( 0.5000000 0.4596194 0.0000000), wk = 0.0027248 k( 195) = ( 0.4931250 0.4670984 0.0101588), wk = 0.0027248 k( 196) = ( 0.4862500 0.4745774 0.0203176), wk = 0.0027248 k( 197) = ( 0.4793750 0.4820564 0.0304764), wk = 0.0027248 k( 198) = ( 0.4725000 0.4895355 0.0406352), wk = 0.0027248 k( 199) = ( 0.4656250 0.4970145 0.0507940), wk = 0.0027248 k( 200) = ( 0.4587500 0.5044935 0.0609528), wk = 0.0027248 k( 201) = ( 0.4518750 0.5119725 0.0711116), wk = 0.0027248 k( 202) = ( 0.4450000 0.5194515 0.0812704), wk = 0.0027248 k( 203) = ( 0.4381250 0.5269305 0.0914292), wk = 0.0027248 k( 204) = ( 0.4312500 0.5344095 0.1015880), wk = 0.0027248 k( 205) = ( 0.4243750 0.5418886 0.1117468), wk = 0.0027248 k( 206) = ( 0.4175000 0.5493676 0.1219056), wk = 0.0027248 k( 207) = ( 0.4106250 0.5568466 0.1320644), wk = 0.0027248 k( 208) = ( 0.4037500 0.5643256 0.1422232), wk = 0.0027248 k( 209) = ( 0.3968750 0.5718046 0.1523820), wk = 0.0027248 k( 210) = ( 0.3900000 0.5792836 0.1625408), wk = 0.0027248 k( 211) = ( 0.3831250 0.5867626 0.1726996), wk = 0.0027248 k( 212) = ( 0.3762500 0.5942417 0.1828585), wk = 0.0027248 k( 213) = ( 0.3693750 0.6017207 0.1930173), wk = 0.0027248 k( 214) = ( 0.3625000 0.6091997 0.2031761), wk = 0.0027248 k( 215) = ( 0.3556250 0.6166787 0.2133349), wk = 0.0027248 k( 216) = ( 0.3556250 0.6166787 0.2133349), wk = 0.0027248 k( 217) = ( 0.3429241 0.6125750 0.2189090), wk = 0.0027248 k( 218) = ( 0.3302232 0.6084712 0.2244832), wk = 0.0027248 k( 219) = ( 0.3175223 0.6043675 0.2300573), wk = 0.0027248 k( 220) = ( 0.3048214 0.6002637 0.2356315), wk = 0.0027248 k( 221) = ( 0.2921205 0.5961600 0.2412056), wk = 0.0027248 k( 222) = ( 0.2794196 0.5920562 0.2467798), wk = 0.0027248 k( 223) = ( 0.2667188 0.5879525 0.2523539), wk = 0.0027248 k( 224) = ( 0.2540179 0.5838487 0.2579280), wk = 0.0027248 k( 225) = ( 0.2413170 0.5797450 0.2635022), wk = 0.0027248 k( 226) = ( 0.2286161 0.5756413 0.2690763), wk = 0.0027248 k( 227) = ( 0.2159152 0.5715375 0.2746505), wk = 0.0027248 k( 228) = ( 0.2032143 0.5674338 0.2802246), wk = 0.0027248 k( 229) = ( 0.1905134 0.5633300 0.2857988), wk = 0.0027248 k( 230) = ( 0.1778125 0.5592263 0.2913729), wk = 0.0027248 k( 231) = ( 0.1651116 0.5551225 0.2969471), wk = 0.0027248 k( 232) = ( 0.1524107 0.5510188 0.3025212), wk = 0.0027248 k( 233) = ( 0.1397098 0.5469150 0.3080954), wk = 0.0027248 k( 234) = ( 0.1270089 0.5428113 0.3136695), wk = 0.0027248 k( 235) = ( 0.1143080 0.5387076 0.3192437), wk = 0.0027248 k( 236) = ( 0.1016071 0.5346038 0.3248178), wk = 0.0027248 k( 237) = ( 0.0889063 0.5305001 0.3303920), wk = 0.0027248 k( 238) = ( 0.0762054 0.5263963 0.3359661), wk = 0.0027248 k( 239) = ( 0.0635045 0.5222926 0.3415403), wk = 0.0027248 k( 240) = ( 0.0508036 0.5181888 0.3471144), wk = 0.0027248 k( 241) = ( 0.0381027 0.5140851 0.3526886), wk = 0.0027248 k( 242) = ( 0.0254018 0.5099813 0.3582627), wk = 0.0027248 k( 243) = ( 0.0127009 0.5058776 0.3638369), wk = 0.0027248 k( 244) = ( 0.0000000 0.5017739 0.3694110), wk = 0.0027248 k( 245) = ( 0.0000000 0.5017739 0.3694110), wk = 0.0027248 k( 246) = ( 0.0069444 0.4942193 0.3796724), wk = 0.0027248 k( 247) = ( 0.0138889 0.4866647 0.3899338), wk = 0.0027248 k( 248) = ( 0.0208333 0.4791102 0.4001953), wk = 0.0027248 k( 249) = ( 0.0277778 0.4715556 0.4104567), wk = 0.0027248 k( 250) = ( 0.0347222 0.4640011 0.4207181), wk = 0.0027248 k( 251) = ( 0.0416667 0.4564465 0.4309795), wk = 0.0027248 k( 252) = ( 0.0486111 0.4488919 0.4412409), wk = 0.0027248 k( 253) = ( 0.0555556 0.4413374 0.4515024), wk = 0.0027248 k( 254) = ( 0.0625000 0.4337828 0.4617638), wk = 0.0027248 k( 255) = ( 0.0694444 0.4262283 0.4720252), wk = 0.0027248 k( 256) = ( 0.0763889 0.4186737 0.4822866), wk = 0.0027248 k( 257) = ( 0.0833333 0.4111191 0.4925480), wk = 0.0027248 k( 258) = ( 0.0902778 0.4035646 0.5028094), wk = 0.0027248 k( 259) = ( 0.0972222 0.3960100 0.5130708), wk = 0.0027248 k( 260) = ( 0.1041667 0.3884555 0.5233323), wk = 0.0027248 k( 261) = ( 0.1111111 0.3809009 0.5335937), wk = 0.0027248 k( 262) = ( 0.1180556 0.3733463 0.5438551), wk = 0.0027248 k( 263) = ( 0.1250000 0.3657918 0.5541165), wk = 0.0027248 k( 264) = ( 0.1319444 0.3582372 0.5643779), wk = 0.0027248 k( 265) = ( 0.1388889 0.3506827 0.5746394), wk = 0.0027248 k( 266) = ( 0.1458333 0.3431281 0.5849008), wk = 0.0027248 k( 267) = ( 0.1527778 0.3355735 0.5951622), wk = 0.0027248 k( 268) = ( 0.1597222 0.3280190 0.6054236), wk = 0.0027248 k( 269) = ( 0.1666667 0.3204644 0.6156850), wk = 0.0027248 k( 270) = ( 0.1736111 0.3129099 0.6259464), wk = 0.0027248 k( 271) = ( 0.1805556 0.3053553 0.6362079), wk = 0.0027248 k( 272) = ( 0.1875000 0.2978007 0.6464693), wk = 0.0027248 k( 273) = ( 0.1944444 0.2902462 0.6567307), wk = 0.0027248 k( 274) = ( 0.2013889 0.2826916 0.6669921), wk = 0.0027248 k( 275) = ( 0.2083333 0.2751371 0.6772535), wk = 0.0027248 k( 276) = ( 0.2152778 0.2675825 0.6875149), wk = 0.0027248 k( 277) = ( 0.2222222 0.2600279 0.6977764), wk = 0.0027248 k( 278) = ( 0.2291667 0.2524734 0.7080378), wk = 0.0027248 k( 279) = ( 0.2361111 0.2449188 0.7182992), wk = 0.0027248 k( 280) = ( 0.2430556 0.2373643 0.7285606), wk = 0.0027248 k( 281) = ( 0.2500000 0.2298097 0.7388220), wk = 0.0027248 k( 282) = ( 0.2500000 0.2298097 0.7388220), wk = 0.0027248 k( 283) = ( 0.2580645 0.2372229 0.7287526), wk = 0.0027248 k( 284) = ( 0.2661290 0.2446361 0.7186832), wk = 0.0027248 k( 285) = ( 0.2741936 0.2520494 0.7086137), wk = 0.0027248 k( 286) = ( 0.2822581 0.2594626 0.6985443), wk = 0.0027248 k( 287) = ( 0.2903226 0.2668758 0.6884749), wk = 0.0027248 k( 288) = ( 0.2983871 0.2742890 0.6784055), wk = 0.0027248 k( 289) = ( 0.3064516 0.2817022 0.6683360), wk = 0.0027248 k( 290) = ( 0.3145161 0.2891154 0.6582666), wk = 0.0027248 k( 291) = ( 0.3225807 0.2965287 0.6481972), wk = 0.0027248 k( 292) = ( 0.3306452 0.3039419 0.6381277), wk = 0.0027248 k( 293) = ( 0.3387097 0.3113551 0.6280583), wk = 0.0027248 k( 294) = ( 0.3467742 0.3187683 0.6179889), wk = 0.0027248 k( 295) = ( 0.3548387 0.3261815 0.6079194), wk = 0.0027248 k( 296) = ( 0.3629032 0.3335947 0.5978500), wk = 0.0027248 k( 297) = ( 0.3709677 0.3410079 0.5877806), wk = 0.0027248 k( 298) = ( 0.3790323 0.3484212 0.5777112), wk = 0.0027248 k( 299) = ( 0.3870968 0.3558344 0.5676417), wk = 0.0027248 k( 300) = ( 0.3951613 0.3632476 0.5575723), wk = 0.0027248 k( 301) = ( 0.4032258 0.3706608 0.5475029), wk = 0.0027248 k( 302) = ( 0.4112903 0.3780740 0.5374334), wk = 0.0027248 k( 303) = ( 0.4193548 0.3854872 0.5273640), wk = 0.0027248 k( 304) = ( 0.4274193 0.3929005 0.5172946), wk = 0.0027248 k( 305) = ( 0.4354839 0.4003137 0.5072252), wk = 0.0027248 k( 306) = ( 0.4435484 0.4077269 0.4971557), wk = 0.0027248 k( 307) = ( 0.4516129 0.4151401 0.4870863), wk = 0.0027248 k( 308) = ( 0.4596774 0.4225533 0.4770169), wk = 0.0027248 k( 309) = ( 0.4677419 0.4299665 0.4669474), wk = 0.0027248 k( 310) = ( 0.4758064 0.4373798 0.4568780), wk = 0.0027248 k( 311) = ( 0.4838710 0.4447930 0.4468086), wk = 0.0027248 k( 312) = ( 0.4919355 0.4522062 0.4367391), wk = 0.0027248 k( 313) = ( 0.5000000 0.4596194 0.4266697), wk = 0.0027248 k( 314) = ( 0.5000000 0.4596194 0.4266697), wk = 0.0027248 k( 315) = ( 0.5000000 0.4596194 0.4119570), wk = 0.0027248 k( 316) = ( 0.5000000 0.4596194 0.3972442), wk = 0.0027248 k( 317) = ( 0.5000000 0.4596194 0.3825315), wk = 0.0027248 k( 318) = ( 0.5000000 0.4596194 0.3678187), wk = 0.0027248 k( 319) = ( 0.5000000 0.4596194 0.3531060), wk = 0.0027248 k( 320) = ( 0.5000000 0.4596194 0.3383932), wk = 0.0027248 k( 321) = ( 0.5000000 0.4596194 0.3236805), wk = 0.0027248 k( 322) = ( 0.5000000 0.4596194 0.3089677), wk = 0.0027248 k( 323) = ( 0.5000000 0.4596194 0.2942550), wk = 0.0027248 k( 324) = ( 0.5000000 0.4596194 0.2795422), wk = 0.0027248 k( 325) = ( 0.5000000 0.4596194 0.2648295), wk = 0.0027248 k( 326) = ( 0.5000000 0.4596194 0.2501167), wk = 0.0027248 k( 327) = ( 0.5000000 0.4596194 0.2354040), wk = 0.0027248 k( 328) = ( 0.5000000 0.4596194 0.2206912), wk = 0.0027248 k( 329) = ( 0.5000000 0.4596194 0.2059785), wk = 0.0027248 k( 330) = ( 0.5000000 0.4596194 0.1912657), wk = 0.0027248 k( 331) = ( 0.5000000 0.4596194 0.1765530), wk = 0.0027248 k( 332) = ( 0.5000000 0.4596194 0.1618402), wk = 0.0027248 k( 333) = ( 0.5000000 0.4596194 0.1471275), wk = 0.0027248 k( 334) = ( 0.5000000 0.4596194 0.1324147), wk = 0.0027248 k( 335) = ( 0.5000000 0.4596194 0.1177020), wk = 0.0027248 k( 336) = ( 0.5000000 0.4596194 0.1029892), wk = 0.0027248 k( 337) = ( 0.5000000 0.4596194 0.0882765), wk = 0.0027248 k( 338) = ( 0.5000000 0.4596194 0.0735637), wk = 0.0027248 k( 339) = ( 0.5000000 0.4596194 0.0588510), wk = 0.0027248 k( 340) = ( 0.5000000 0.4596194 0.0441382), wk = 0.0027248 k( 341) = ( 0.5000000 0.4596194 0.0294255), wk = 0.0027248 k( 342) = ( 0.5000000 0.4596194 0.0147128), wk = 0.0027248 k( 343) = ( 0.5000000 0.4596194 0.0000000), wk = 0.0027248 k( 344) = ( 0.0000000 0.0000000 0.7388220), wk = 0.0027248 k( 345) = ( 0.0108696 0.0099917 0.7388220), wk = 0.0027248 k( 346) = ( 0.0217391 0.0199835 0.7388220), wk = 0.0027248 k( 347) = ( 0.0326087 0.0299752 0.7388220), wk = 0.0027248 k( 348) = ( 0.0434783 0.0399669 0.7388220), wk = 0.0027248 k( 349) = ( 0.0543478 0.0499586 0.7388220), wk = 0.0027248 k( 350) = ( 0.0652174 0.0599504 0.7388220), wk = 0.0027248 k( 351) = ( 0.0760870 0.0699421 0.7388220), wk = 0.0027248 k( 352) = ( 0.0869565 0.0799338 0.7388220), wk = 0.0027248 k( 353) = ( 0.0978261 0.0899255 0.7388220), wk = 0.0027248 k( 354) = ( 0.1086957 0.0999173 0.7388220), wk = 0.0027248 k( 355) = ( 0.1195652 0.1099090 0.7388220), wk = 0.0027248 k( 356) = ( 0.1304348 0.1199007 0.7388220), wk = 0.0027248 k( 357) = ( 0.1413043 0.1298924 0.7388220), wk = 0.0027248 k( 358) = ( 0.1521739 0.1398842 0.7388220), wk = 0.0027248 k( 359) = ( 0.1630435 0.1498759 0.7388220), wk = 0.0027248 k( 360) = ( 0.1739130 0.1598676 0.7388220), wk = 0.0027248 k( 361) = ( 0.1847826 0.1698593 0.7388220), wk = 0.0027248 k( 362) = ( 0.1956522 0.1798511 0.7388220), wk = 0.0027248 k( 363) = ( 0.2065217 0.1898428 0.7388220), wk = 0.0027248 k( 364) = ( 0.2173913 0.1998345 0.7388220), wk = 0.0027248 k( 365) = ( 0.2282609 0.2098263 0.7388220), wk = 0.0027248 k( 366) = ( 0.2391304 0.2198180 0.7388220), wk = 0.0027248 k( 367) = ( 0.2500000 0.2298097 0.7388220), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0027248 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027248 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0027248 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027248 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0027248 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027248 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0027248 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027248 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0027248 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027248 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0027248 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027248 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0027248 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027248 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0027248 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027248 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0027248 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027248 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0027248 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027248 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0027248 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027248 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0027248 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027248 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027248 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027248 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0027248 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027248 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0027248 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027248 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0027248 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027248 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0027248 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027248 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0027248 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027248 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0027248 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027248 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0027248 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027248 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0027248 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027248 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0027248 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027248 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0027248 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027248 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0027248 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027248 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0027248 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 53) = ( -0.0100595 0.0100595 0.5000000), wk = 0.0027248 k( 54) = ( -0.0201190 0.0201190 0.5000000), wk = 0.0027248 k( 55) = ( -0.0301786 0.0301786 0.5000000), wk = 0.0027248 k( 56) = ( -0.0402381 0.0402381 0.5000000), wk = 0.0027248 k( 57) = ( -0.0502976 0.0502976 0.5000000), wk = 0.0027248 k( 58) = ( -0.0603571 0.0603571 0.5000000), wk = 0.0027248 k( 59) = ( -0.0704167 0.0704167 0.5000000), wk = 0.0027248 k( 60) = ( -0.0804762 0.0804762 0.5000000), wk = 0.0027248 k( 61) = ( -0.0905357 0.0905357 0.5000000), wk = 0.0027248 k( 62) = ( -0.1005952 0.1005952 0.5000000), wk = 0.0027248 k( 63) = ( -0.1106548 0.1106548 0.5000000), wk = 0.0027248 k( 64) = ( -0.1207143 0.1207143 0.5000000), wk = 0.0027248 k( 65) = ( -0.1307738 0.1307738 0.5000000), wk = 0.0027248 k( 66) = ( -0.1408333 0.1408333 0.5000000), wk = 0.0027248 k( 67) = ( -0.1508929 0.1508929 0.5000000), wk = 0.0027248 k( 68) = ( -0.1609524 0.1609524 0.5000000), wk = 0.0027248 k( 69) = ( -0.1710119 0.1710119 0.5000000), wk = 0.0027248 k( 70) = ( -0.1810714 0.1810714 0.5000000), wk = 0.0027248 k( 71) = ( -0.1911309 0.1911309 0.5000000), wk = 0.0027248 k( 72) = ( -0.2011905 0.2011905 0.5000000), wk = 0.0027248 k( 73) = ( -0.2112500 0.2112500 0.5000000), wk = 0.0027248 k( 74) = ( -0.2112500 0.2112500 0.5000000), wk = 0.0027248 k( 75) = ( -0.2181250 0.2181250 0.4931250), wk = 0.0027248 k( 76) = ( -0.2250000 0.2250000 0.4862500), wk = 0.0027248 k( 77) = ( -0.2318750 0.2318750 0.4793750), wk = 0.0027248 k( 78) = ( -0.2387500 0.2387500 0.4725000), wk = 0.0027248 k( 79) = ( -0.2456250 0.2456250 0.4656250), wk = 0.0027248 k( 80) = ( -0.2525000 0.2525000 0.4587500), wk = 0.0027248 k( 81) = ( -0.2593750 0.2593750 0.4518750), wk = 0.0027248 k( 82) = ( -0.2662500 0.2662500 0.4450000), wk = 0.0027248 k( 83) = ( -0.2731250 0.2731250 0.4381250), wk = 0.0027248 k( 84) = ( -0.2800000 0.2800000 0.4312500), wk = 0.0027248 k( 85) = ( -0.2868750 0.2868750 0.4243750), wk = 0.0027248 k( 86) = ( -0.2937500 0.2937500 0.4175000), wk = 0.0027248 k( 87) = ( -0.3006250 0.3006250 0.4106250), wk = 0.0027248 k( 88) = ( -0.3075000 0.3075000 0.4037500), wk = 0.0027248 k( 89) = ( -0.3143750 0.3143750 0.3968750), wk = 0.0027248 k( 90) = ( -0.3212500 0.3212500 0.3900000), wk = 0.0027248 k( 91) = ( -0.3281250 0.3281250 0.3831250), wk = 0.0027248 k( 92) = ( -0.3350000 0.3350000 0.3762500), wk = 0.0027248 k( 93) = ( -0.3418750 0.3418750 0.3693750), wk = 0.0027248 k( 94) = ( -0.3487500 0.3487500 0.3625000), wk = 0.0027248 k( 95) = ( -0.3556250 0.3556250 0.3556250), wk = 0.0027248 k( 96) = ( -0.3556250 0.3556250 0.3556250), wk = 0.0027248 k( 97) = ( -0.3485125 0.3485125 0.3485125), wk = 0.0027248 k( 98) = ( -0.3414000 0.3414000 0.3414000), wk = 0.0027248 k( 99) = ( -0.3342875 0.3342875 0.3342875), wk = 0.0027248 k( 100) = ( -0.3271750 0.3271750 0.3271750), wk = 0.0027248 k( 101) = ( -0.3200625 0.3200625 0.3200625), wk = 0.0027248 k( 102) = ( -0.3129500 0.3129500 0.3129500), wk = 0.0027248 k( 103) = ( -0.3058375 0.3058375 0.3058375), wk = 0.0027248 k( 104) = ( -0.2987250 0.2987250 0.2987250), wk = 0.0027248 k( 105) = ( -0.2916125 0.2916125 0.2916125), wk = 0.0027248 k( 106) = ( -0.2845000 0.2845000 0.2845000), wk = 0.0027248 k( 107) = ( -0.2773875 0.2773875 0.2773875), wk = 0.0027248 k( 108) = ( -0.2702750 0.2702750 0.2702750), wk = 0.0027248 k( 109) = ( -0.2631625 0.2631625 0.2631625), wk = 0.0027248 k( 110) = ( -0.2560500 0.2560500 0.2560500), wk = 0.0027248 k( 111) = ( -0.2489375 0.2489375 0.2489375), wk = 0.0027248 k( 112) = ( -0.2418250 0.2418250 0.2418250), wk = 0.0027248 k( 113) = ( -0.2347125 0.2347125 0.2347125), wk = 0.0027248 k( 114) = ( -0.2276000 0.2276000 0.2276000), wk = 0.0027248 k( 115) = ( -0.2204875 0.2204875 0.2204875), wk = 0.0027248 k( 116) = ( -0.2133750 0.2133750 0.2133750), wk = 0.0027248 k( 117) = ( -0.2062625 0.2062625 0.2062625), wk = 0.0027248 k( 118) = ( -0.1991500 0.1991500 0.1991500), wk = 0.0027248 k( 119) = ( -0.1920375 0.1920375 0.1920375), wk = 0.0027248 k( 120) = ( -0.1849250 0.1849250 0.1849250), wk = 0.0027248 k( 121) = ( -0.1778125 0.1778125 0.1778125), wk = 0.0027248 k( 122) = ( -0.1707000 0.1707000 0.1707000), wk = 0.0027248 k( 123) = ( -0.1635875 0.1635875 0.1635875), wk = 0.0027248 k( 124) = ( -0.1564750 0.1564750 0.1564750), wk = 0.0027248 k( 125) = ( -0.1493625 0.1493625 0.1493625), wk = 0.0027248 k( 126) = ( -0.1422500 0.1422500 0.1422500), wk = 0.0027248 k( 127) = ( -0.1351375 0.1351375 0.1351375), wk = 0.0027248 k( 128) = ( -0.1280250 0.1280250 0.1280250), wk = 0.0027248 k( 129) = ( -0.1209125 0.1209125 0.1209125), wk = 0.0027248 k( 130) = ( -0.1138000 0.1138000 0.1138000), wk = 0.0027248 k( 131) = ( -0.1066875 0.1066875 0.1066875), wk = 0.0027248 k( 132) = ( -0.0995750 0.0995750 0.0995750), wk = 0.0027248 k( 133) = ( -0.0924625 0.0924625 0.0924625), wk = 0.0027248 k( 134) = ( -0.0853500 0.0853500 0.0853500), wk = 0.0027248 k( 135) = ( -0.0782375 0.0782375 0.0782375), wk = 0.0027248 k( 136) = ( -0.0711250 0.0711250 0.0711250), wk = 0.0027248 k( 137) = ( -0.0640125 0.0640125 0.0640125), wk = 0.0027248 k( 138) = ( -0.0569000 0.0569000 0.0569000), wk = 0.0027248 k( 139) = ( -0.0497875 0.0497875 0.0497875), wk = 0.0027248 k( 140) = ( -0.0426750 0.0426750 0.0426750), wk = 0.0027248 k( 141) = ( -0.0355625 0.0355625 0.0355625), wk = 0.0027248 k( 142) = ( -0.0284500 0.0284500 0.0284500), wk = 0.0027248 k( 143) = ( -0.0213375 0.0213375 0.0213375), wk = 0.0027248 k( 144) = ( -0.0142250 0.0142250 0.0142250), wk = 0.0027248 k( 145) = ( -0.0071125 0.0071125 0.0071125), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 148) = ( 0.0108696 0.0108696 -0.0108696), wk = 0.0027248 k( 149) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0027248 k( 150) = ( 0.0326087 0.0326087 -0.0326087), wk = 0.0027248 k( 151) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0027248 k( 152) = ( 0.0543478 0.0543478 -0.0543478), wk = 0.0027248 k( 153) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0027248 k( 154) = ( 0.0760870 0.0760870 -0.0760870), wk = 0.0027248 k( 155) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0027248 k( 156) = ( 0.0978261 0.0978261 -0.0978261), wk = 0.0027248 k( 157) = ( 0.1086957 0.1086956 -0.1086957), wk = 0.0027248 k( 158) = ( 0.1195652 0.1195652 -0.1195652), wk = 0.0027248 k( 159) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0027248 k( 160) = ( 0.1413043 0.1413043 -0.1413044), wk = 0.0027248 k( 161) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0027248 k( 162) = ( 0.1630435 0.1630435 -0.1630435), wk = 0.0027248 k( 163) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0027248 k( 164) = ( 0.1847826 0.1847826 -0.1847826), wk = 0.0027248 k( 165) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0027248 k( 166) = ( 0.2065217 0.2065217 -0.2065217), wk = 0.0027248 k( 167) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0027248 k( 168) = ( 0.2282609 0.2282609 -0.2282609), wk = 0.0027248 k( 169) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0027248 k( 170) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027248 k( 171) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0027248 k( 172) = ( 0.2717391 0.2717391 -0.2717391), wk = 0.0027248 k( 173) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0027248 k( 174) = ( 0.2934783 0.2934783 -0.2934783), wk = 0.0027248 k( 175) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0027248 k( 176) = ( 0.3152174 0.3152174 -0.3152174), wk = 0.0027248 k( 177) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0027248 k( 178) = ( 0.3369565 0.3369565 -0.3369565), wk = 0.0027248 k( 179) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0027248 k( 180) = ( 0.3586956 0.3586957 -0.3586957), wk = 0.0027248 k( 181) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0027248 k( 182) = ( 0.3804348 0.3804348 -0.3804348), wk = 0.0027248 k( 183) = ( 0.3913044 0.3913043 -0.3913044), wk = 0.0027248 k( 184) = ( 0.4021739 0.4021739 -0.4021739), wk = 0.0027248 k( 185) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0027248 k( 186) = ( 0.4239130 0.4239130 -0.4239130), wk = 0.0027248 k( 187) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0027248 k( 188) = ( 0.4456522 0.4456522 -0.4456522), wk = 0.0027248 k( 189) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0027248 k( 190) = ( 0.4673913 0.4673913 -0.4673913), wk = 0.0027248 k( 191) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0027248 k( 192) = ( 0.4891304 0.4891304 -0.4891304), wk = 0.0027248 k( 193) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 194) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 195) = ( 0.4931250 0.5068750 -0.4931250), wk = 0.0027248 k( 196) = ( 0.4862500 0.5137500 -0.4862500), wk = 0.0027248 k( 197) = ( 0.4793750 0.5206250 -0.4793750), wk = 0.0027248 k( 198) = ( 0.4725000 0.5275000 -0.4725000), wk = 0.0027248 k( 199) = ( 0.4656250 0.5343750 -0.4656250), wk = 0.0027248 k( 200) = ( 0.4587500 0.5412500 -0.4587500), wk = 0.0027248 k( 201) = ( 0.4518750 0.5481250 -0.4518750), wk = 0.0027248 k( 202) = ( 0.4450000 0.5550000 -0.4450000), wk = 0.0027248 k( 203) = ( 0.4381250 0.5618750 -0.4381250), wk = 0.0027248 k( 204) = ( 0.4312500 0.5687500 -0.4312500), wk = 0.0027248 k( 205) = ( 0.4243750 0.5756250 -0.4243750), wk = 0.0027248 k( 206) = ( 0.4175000 0.5825000 -0.4175000), wk = 0.0027248 k( 207) = ( 0.4106250 0.5893750 -0.4106250), wk = 0.0027248 k( 208) = ( 0.4037500 0.5962500 -0.4037500), wk = 0.0027248 k( 209) = ( 0.3968750 0.6031250 -0.3968750), wk = 0.0027248 k( 210) = ( 0.3900000 0.6100000 -0.3900000), wk = 0.0027248 k( 211) = ( 0.3831250 0.6168750 -0.3831250), wk = 0.0027248 k( 212) = ( 0.3762500 0.6237500 -0.3762500), wk = 0.0027248 k( 213) = ( 0.3693750 0.6306250 -0.3693750), wk = 0.0027248 k( 214) = ( 0.3625000 0.6375000 -0.3625000), wk = 0.0027248 k( 215) = ( 0.3556250 0.6443750 -0.3556250), wk = 0.0027248 k( 216) = ( 0.3556250 0.6443750 -0.3556250), wk = 0.0027248 k( 217) = ( 0.3429241 0.6392187 -0.3429241), wk = 0.0027248 k( 218) = ( 0.3302232 0.6340625 -0.3302232), wk = 0.0027248 k( 219) = ( 0.3175223 0.6289062 -0.3175223), wk = 0.0027248 k( 220) = ( 0.3048214 0.6237500 -0.3048214), wk = 0.0027248 k( 221) = ( 0.2921205 0.6185938 -0.2921205), wk = 0.0027248 k( 222) = ( 0.2794196 0.6134375 -0.2794196), wk = 0.0027248 k( 223) = ( 0.2667188 0.6082812 -0.2667188), wk = 0.0027248 k( 224) = ( 0.2540179 0.6031250 -0.2540179), wk = 0.0027248 k( 225) = ( 0.2413170 0.5979688 -0.2413170), wk = 0.0027248 k( 226) = ( 0.2286161 0.5928125 -0.2286161), wk = 0.0027248 k( 227) = ( 0.2159152 0.5876562 -0.2159152), wk = 0.0027248 k( 228) = ( 0.2032143 0.5825000 -0.2032143), wk = 0.0027248 k( 229) = ( 0.1905134 0.5773438 -0.1905134), wk = 0.0027248 k( 230) = ( 0.1778125 0.5721875 -0.1778125), wk = 0.0027248 k( 231) = ( 0.1651116 0.5670312 -0.1651116), wk = 0.0027248 k( 232) = ( 0.1524107 0.5618750 -0.1524107), wk = 0.0027248 k( 233) = ( 0.1397098 0.5567187 -0.1397098), wk = 0.0027248 k( 234) = ( 0.1270089 0.5515625 -0.1270089), wk = 0.0027248 k( 235) = ( 0.1143080 0.5464063 -0.1143080), wk = 0.0027248 k( 236) = ( 0.1016071 0.5412500 -0.1016071), wk = 0.0027248 k( 237) = ( 0.0889063 0.5360938 -0.0889063), wk = 0.0027248 k( 238) = ( 0.0762054 0.5309375 -0.0762054), wk = 0.0027248 k( 239) = ( 0.0635045 0.5257812 -0.0635045), wk = 0.0027248 k( 240) = ( 0.0508036 0.5206250 -0.0508036), wk = 0.0027248 k( 241) = ( 0.0381027 0.5154688 -0.0381027), wk = 0.0027248 k( 242) = ( 0.0254018 0.5103125 -0.0254018), wk = 0.0027248 k( 243) = ( 0.0127009 0.5051562 -0.0127009), wk = 0.0027248 k( 244) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027248 k( 245) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027248 k( 246) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0027248 k( 247) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0027248 k( 248) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0027248 k( 249) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0027248 k( 250) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0027248 k( 251) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0027248 k( 252) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0027248 k( 253) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0027248 k( 254) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0027248 k( 255) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0027248 k( 256) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0027248 k( 257) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0027248 k( 258) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0027248 k( 259) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0027248 k( 260) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0027248 k( 261) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0027248 k( 262) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0027248 k( 263) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0027248 k( 264) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0027248 k( 265) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0027248 k( 266) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0027248 k( 267) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0027248 k( 268) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0027248 k( 269) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0027248 k( 270) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0027248 k( 271) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0027248 k( 272) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0027248 k( 273) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0027248 k( 274) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0027248 k( 275) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0027248 k( 276) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0027248 k( 277) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0027248 k( 278) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0027248 k( 279) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0027248 k( 280) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0027248 k( 281) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 282) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 283) = ( 0.2580645 0.2580645 0.2351210), wk = 0.0027248 k( 284) = ( 0.2661290 0.2661290 0.2202419), wk = 0.0027248 k( 285) = ( 0.2741936 0.2741936 0.2053629), wk = 0.0027248 k( 286) = ( 0.2822581 0.2822581 0.1904839), wk = 0.0027248 k( 287) = ( 0.2903226 0.2903226 0.1756048), wk = 0.0027248 k( 288) = ( 0.2983871 0.2983871 0.1607258), wk = 0.0027248 k( 289) = ( 0.3064516 0.3064516 0.1458468), wk = 0.0027248 k( 290) = ( 0.3145161 0.3145161 0.1309677), wk = 0.0027248 k( 291) = ( 0.3225807 0.3225807 0.1160887), wk = 0.0027248 k( 292) = ( 0.3306452 0.3306452 0.1012097), wk = 0.0027248 k( 293) = ( 0.3387097 0.3387097 0.0863307), wk = 0.0027248 k( 294) = ( 0.3467742 0.3467742 0.0714516), wk = 0.0027248 k( 295) = ( 0.3548387 0.3548387 0.0565726), wk = 0.0027248 k( 296) = ( 0.3629032 0.3629032 0.0416936), wk = 0.0027248 k( 297) = ( 0.3709677 0.3709677 0.0268145), wk = 0.0027248 k( 298) = ( 0.3790323 0.3790323 0.0119355), wk = 0.0027248 k( 299) = ( 0.3870968 0.3870968 -0.0029436), wk = 0.0027248 k( 300) = ( 0.3951613 0.3951613 -0.0178226), wk = 0.0027248 k( 301) = ( 0.4032258 0.4032258 -0.0327016), wk = 0.0027248 k( 302) = ( 0.4112903 0.4112903 -0.0475806), wk = 0.0027248 k( 303) = ( 0.4193548 0.4193548 -0.0624597), wk = 0.0027248 k( 304) = ( 0.4274193 0.4274193 -0.0773387), wk = 0.0027248 k( 305) = ( 0.4354839 0.4354839 -0.0922177), wk = 0.0027248 k( 306) = ( 0.4435484 0.4435484 -0.1070968), wk = 0.0027248 k( 307) = ( 0.4516129 0.4516129 -0.1219758), wk = 0.0027248 k( 308) = ( 0.4596774 0.4596774 -0.1368548), wk = 0.0027248 k( 309) = ( 0.4677419 0.4677419 -0.1517339), wk = 0.0027248 k( 310) = ( 0.4758064 0.4758064 -0.1666129), wk = 0.0027248 k( 311) = ( 0.4838710 0.4838710 -0.1814919), wk = 0.0027248 k( 312) = ( 0.4919355 0.4919355 -0.1963710), wk = 0.0027248 k( 313) = ( 0.5000000 0.5000000 -0.2112500), wk = 0.0027248 k( 314) = ( 0.5000000 0.5000000 -0.2112500), wk = 0.0027248 k( 315) = ( 0.5000000 0.5000000 -0.2212069), wk = 0.0027248 k( 316) = ( 0.5000000 0.5000000 -0.2311638), wk = 0.0027248 k( 317) = ( 0.5000000 0.5000000 -0.2411207), wk = 0.0027248 k( 318) = ( 0.5000000 0.5000000 -0.2510776), wk = 0.0027248 k( 319) = ( 0.5000000 0.5000000 -0.2610345), wk = 0.0027248 k( 320) = ( 0.5000000 0.5000000 -0.2709914), wk = 0.0027248 k( 321) = ( 0.5000000 0.5000000 -0.2809483), wk = 0.0027248 k( 322) = ( 0.5000000 0.5000000 -0.2909052), wk = 0.0027248 k( 323) = ( 0.5000000 0.5000000 -0.3008621), wk = 0.0027248 k( 324) = ( 0.5000000 0.5000000 -0.3108190), wk = 0.0027248 k( 325) = ( 0.5000000 0.5000000 -0.3207759), wk = 0.0027248 k( 326) = ( 0.5000000 0.5000000 -0.3307328), wk = 0.0027248 k( 327) = ( 0.5000000 0.5000000 -0.3406897), wk = 0.0027248 k( 328) = ( 0.5000000 0.5000000 -0.3506466), wk = 0.0027248 k( 329) = ( 0.5000000 0.5000000 -0.3606034), wk = 0.0027248 k( 330) = ( 0.5000000 0.5000000 -0.3705603), wk = 0.0027248 k( 331) = ( 0.5000000 0.5000000 -0.3805172), wk = 0.0027248 k( 332) = ( 0.5000000 0.5000000 -0.3904741), wk = 0.0027248 k( 333) = ( 0.5000000 0.5000000 -0.4004310), wk = 0.0027248 k( 334) = ( 0.5000000 0.5000000 -0.4103879), wk = 0.0027248 k( 335) = ( 0.5000000 0.5000000 -0.4203448), wk = 0.0027248 k( 336) = ( 0.5000000 0.5000000 -0.4303017), wk = 0.0027248 k( 337) = ( 0.5000000 0.5000000 -0.4402586), wk = 0.0027248 k( 338) = ( 0.5000000 0.5000000 -0.4502155), wk = 0.0027248 k( 339) = ( 0.5000000 0.5000000 -0.4601724), wk = 0.0027248 k( 340) = ( 0.5000000 0.5000000 -0.4701293), wk = 0.0027248 k( 341) = ( 0.5000000 0.5000000 -0.4800862), wk = 0.0027248 k( 342) = ( 0.5000000 0.5000000 -0.4900431), wk = 0.0027248 k( 343) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 345) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0027248 k( 346) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0027248 k( 347) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0027248 k( 348) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0027248 k( 349) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0027248 k( 350) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0027248 k( 351) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0027248 k( 352) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0027248 k( 353) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0027248 k( 354) = ( 0.1086957 0.1086956 0.3913044), wk = 0.0027248 k( 355) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0027248 k( 356) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0027248 k( 357) = ( 0.1413043 0.1413043 0.3586956), wk = 0.0027248 k( 358) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0027248 k( 359) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0027248 k( 360) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0027248 k( 361) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0027248 k( 362) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0027248 k( 363) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0027248 k( 364) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0027248 k( 365) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0027248 k( 366) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0027248 k( 367) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 Dense grid: 203049 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 46217 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 246, 42) NL pseudopotentials 0.20 Mb ( 123, 104) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 4232) G-vector shells 0.01 Mb ( 1921) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 246, 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 44.8 secs Computing kpt #: 2 total cpu time spent up to now is 47.2 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 51.8 secs Computing kpt #: 5 total cpu time spent up to now is 54.1 secs Computing kpt #: 6 total cpu time spent up to now is 56.7 secs Computing kpt #: 7 total cpu time spent up to now is 59.0 secs Computing kpt #: 8 total cpu time spent up to now is 61.5 secs Computing kpt #: 9 total cpu time spent up to now is 63.9 secs Computing kpt #: 10 total cpu time spent up to now is 66.4 secs Computing kpt #: 11 total cpu time spent up to now is 68.8 secs Computing kpt #: 12 total cpu time spent up to now is 71.2 secs Computing kpt #: 13 total cpu time spent up to now is 73.7 secs Computing kpt #: 14 total cpu time spent up to now is 76.3 secs Computing kpt #: 15 total cpu time spent up to now is 78.9 secs Computing kpt #: 16 total cpu time spent up to now is 81.7 secs Computing kpt #: 17 total cpu time spent up to now is 84.2 secs Computing kpt #: 18 total cpu time spent up to now is 86.9 secs Computing kpt #: 19 total cpu time spent up to now is 90.2 secs Computing kpt #: 20 total cpu time spent up to now is 93.1 secs Computing kpt #: 21 total cpu time spent up to now is 95.6 secs Computing kpt #: 22 total cpu time spent up to now is 98.3 secs Computing kpt #: 23 total cpu time spent up to now is 100.9 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 106.6 secs Computing kpt #: 26 total cpu time spent up to now is 109.3 secs Computing kpt #: 27 total cpu time spent up to now is 112.0 secs Computing kpt #: 28 total cpu time spent up to now is 114.6 secs Computing kpt #: 29 total cpu time spent up to now is 117.3 secs Computing kpt #: 30 total cpu time spent up to now is 120.0 secs Computing kpt #: 31 total cpu 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total cpu time spent up to now is 365.0 secs Computing kpt #: 124 total cpu time spent up to now is 367.6 secs Computing kpt #: 125 total cpu time spent up to now is 370.3 secs Computing kpt #: 126 total cpu time spent up to now is 372.9 secs Computing kpt #: 127 total cpu time spent up to now is 375.6 secs Computing kpt #: 128 total cpu time spent up to now is 378.2 secs Computing kpt #: 129 total cpu time spent up to now is 380.7 secs Computing kpt #: 130 total cpu time spent up to now is 383.2 secs Computing kpt #: 131 total cpu time spent up to now is 386.0 secs Computing kpt #: 132 total cpu time spent up to now is 389.9 secs Computing kpt #: 133 total cpu time spent up to now is 394.0 secs Computing kpt #: 134 total cpu time spent up to now is 396.5 secs Computing kpt #: 135 total cpu time spent up to now is 399.2 secs Computing kpt #: 136 total cpu time spent up to now is 401.6 secs Computing kpt #: 137 total cpu time spent up to now is 404.2 secs Computing kpt #: 138 total cpu 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is 479.6 secs Computing kpt #: 169 total cpu time spent up to now is 482.1 secs Computing kpt #: 170 total cpu time spent up to now is 484.6 secs Computing kpt #: 171 total cpu time spent up to now is 487.2 secs Computing kpt #: 172 total cpu time spent up to now is 490.0 secs Computing kpt #: 173 total cpu time spent up to now is 492.6 secs Computing kpt #: 174 total cpu time spent up to now is 495.2 secs Computing kpt #: 175 total cpu time spent up to now is 497.9 secs Computing kpt #: 176 total cpu time spent up to now is 500.5 secs Computing kpt #: 177 total cpu time spent up to now is 503.1 secs Computing kpt #: 178 total cpu time spent up to now is 505.8 secs Computing kpt #: 179 total cpu time spent up to now is 508.3 secs Computing kpt #: 180 total cpu time spent up to now is 510.8 secs Computing kpt #: 181 total cpu time spent up to now is 513.2 secs Computing kpt #: 182 total cpu time spent up to now is 515.7 secs Computing kpt #: 183 total cpu time spent up to now is 518.2 secs Computing kpt #: 184 total cpu time spent up to now is 520.6 secs Computing kpt #: 185 total cpu time spent up to now is 523.0 secs Computing kpt #: 186 total cpu time spent up to now is 525.3 secs Computing kpt #: 187 total cpu time spent up to now is 527.7 secs Computing kpt #: 188 total cpu time spent up to now is 530.4 secs Computing kpt #: 189 total cpu time spent up to now is 532.9 secs Computing kpt #: 190 total cpu time spent up to now is 535.3 secs Computing kpt #: 191 total cpu time spent up to now is 538.0 secs Computing kpt #: 192 total cpu time spent up to now is 541.1 secs Computing kpt #: 193 total cpu time spent up to now is 543.4 secs Computing kpt #: 194 total cpu time spent up to now is 546.1 secs Computing kpt #: 195 total cpu time spent up to now is 548.6 secs Computing kpt #: 196 total cpu time spent up to now is 551.2 secs Computing kpt #: 197 total cpu time spent up to now is 553.6 secs Computing kpt #: 198 total cpu time spent up to now is 556.1 secs Computing kpt #: 199 total cpu time spent up to now is 558.7 secs Computing kpt #: 200 total cpu time spent up to now is 561.3 secs Computing kpt #: 201 total cpu time spent up to now is 563.9 secs Computing kpt #: 202 total cpu time spent up to now is 566.5 secs Computing kpt #: 203 total cpu time spent up to now is 569.2 secs Computing kpt #: 204 total cpu time spent up to now is 571.7 secs Computing kpt #: 205 total cpu time spent up to now is 574.3 secs Computing kpt #: 206 total cpu time spent up to now is 576.8 secs Computing kpt #: 207 total cpu time spent up to now is 579.3 secs Computing kpt #: 208 total cpu time spent up to now is 581.8 secs Computing kpt #: 209 total cpu time spent up to now is 585.8 secs Computing kpt #: 210 total cpu time spent up to now is 588.3 secs Computing kpt #: 211 total cpu time spent up to now is 590.8 secs Computing kpt #: 212 total cpu time spent up to now is 593.3 secs Computing kpt #: 213 total cpu time spent up to now is 595.9 secs Computing kpt #: 214 total cpu time spent up to now is 598.5 secs Computing kpt #: 215 total cpu time spent up to now is 601.3 secs Computing kpt #: 216 total cpu time spent up to now is 603.8 secs Computing kpt #: 217 total cpu time spent up to now is 606.4 secs Computing kpt #: 218 total cpu time spent up to now is 608.9 secs Computing kpt #: 219 total cpu time spent up to now is 611.5 secs Computing kpt #: 220 total cpu time spent up to now is 614.4 secs Computing kpt #: 221 total cpu time spent up to now is 617.5 secs Computing kpt #: 222 total cpu time spent up to now is 620.2 secs Computing kpt #: 223 total cpu time spent up to now is 622.9 secs Computing kpt #: 224 total cpu time spent up to now is 625.6 secs Computing kpt #: 225 total cpu time spent up to now is 628.7 secs Computing kpt #: 226 total cpu time spent up to now is 631.2 secs Computing kpt #: 227 total cpu time spent up to now is 633.9 secs Computing kpt #: 228 total cpu time spent up to now is 636.4 secs Computing kpt #: 229 total cpu time spent up to now is 639.4 secs Computing kpt #: 230 total cpu time spent up to now is 642.1 secs Computing kpt #: 231 total cpu time spent up to now is 644.7 secs Computing kpt #: 232 total cpu time spent up to now is 647.2 secs Computing kpt #: 233 total cpu time spent up to now is 650.0 secs Computing kpt #: 234 total cpu time spent up to now is 652.8 secs Computing kpt #: 235 total cpu time spent up to now is 655.4 secs Computing kpt #: 236 total cpu time spent up to now is 658.1 secs Computing kpt #: 237 total cpu time spent up to now is 660.6 secs Computing kpt #: 238 total cpu time spent up to now is 663.3 secs Computing kpt #: 239 total cpu time spent up to now is 665.9 secs Computing kpt #: 240 total cpu time spent up to now is 668.4 secs Computing kpt #: 241 total cpu time spent up to now is 670.9 secs Computing kpt #: 242 total cpu time spent up to now is 673.5 secs Computing kpt #: 243 total cpu time spent up to now is 676.4 secs Computing kpt #: 244 total cpu time spent up to now is 679.0 secs Computing kpt #: 245 total cpu time spent up to now is 681.5 secs Computing kpt #: 246 total cpu time spent up to now is 684.4 secs Computing kpt #: 247 total cpu time spent up to now is 687.7 secs Computing kpt #: 248 total cpu time spent up to now is 692.4 secs Computing kpt #: 249 total cpu time spent up to now is 695.6 secs Computing kpt #: 250 total cpu time spent up to now is 698.9 secs Computing kpt #: 251 total cpu time spent up to now is 701.4 secs Computing kpt #: 252 total cpu time spent up to now is 704.4 secs Computing kpt #: 253 total cpu time spent up to now is 707.1 secs Computing kpt #: 254 total cpu time spent up to now is 709.9 secs Computing kpt #: 255 total cpu time spent up to now is 712.5 secs Computing kpt #: 256 total cpu time spent up to now is 715.1 secs Computing kpt #: 257 total cpu time spent up to now is 717.7 secs Computing kpt #: 258 total cpu time spent up to now is 720.2 secs Computing kpt #: 259 total cpu time spent up to now is 722.8 secs Computing kpt #: 260 total cpu time spent up to now is 725.6 secs Computing kpt #: 261 total cpu time spent up to now is 728.5 secs Computing kpt #: 262 total cpu time spent up to now is 731.0 secs Computing kpt #: 263 total cpu time spent up to now is 733.6 secs Computing kpt #: 264 total cpu time spent up to now is 736.4 secs Computing kpt #: 265 total cpu time spent up to now is 739.0 secs Computing kpt #: 266 total cpu time spent up to now is 741.6 secs Computing kpt #: 267 total cpu time spent up to now is 744.2 secs Computing kpt #: 268 total cpu time spent up to now is 746.7 secs Computing kpt #: 269 total cpu time spent up to now is 749.4 secs Computing kpt #: 270 total cpu time spent up to now is 752.0 secs Computing kpt #: 271 total cpu time spent up to now is 754.5 secs Computing kpt #: 272 total cpu time spent up to now is 757.0 secs Computing kpt #: 273 total cpu time spent up to now is 759.7 secs Computing kpt #: 274 total cpu time spent up to now is 762.5 secs Computing kpt #: 275 total cpu time spent up to now is 765.1 secs Computing kpt #: 276 total cpu time spent up to now is 767.5 secs Computing kpt #: 277 total cpu time spent up to now is 770.1 secs Computing kpt #: 278 total cpu time spent up to now is 772.6 secs Computing kpt #: 279 total cpu time spent up to now is 774.9 secs Computing kpt #: 280 total cpu time spent up to now is 777.6 secs Computing kpt #: 281 total cpu time spent up to now is 779.9 secs Computing kpt #: 282 total cpu time spent up to now is 782.8 secs Computing kpt #: 283 total cpu time spent up to now is 785.1 secs Computing kpt #: 284 total cpu time spent up to now is 787.4 secs Computing kpt #: 285 total cpu time spent up to now is 790.0 secs Computing kpt #: 286 total cpu time spent up to now is 792.4 secs Computing kpt #: 287 total cpu time spent up to now is 794.9 secs Computing kpt #: 288 total cpu time spent up to now is 797.4 secs Computing kpt #: 289 total cpu time spent up to now is 799.9 secs Computing kpt #: 290 total cpu time spent up to now is 802.4 secs Computing kpt #: 291 total cpu time spent up to now is 805.1 secs Computing kpt #: 292 total cpu time spent up to now is 807.6 secs Computing kpt #: 293 total cpu time spent up to now is 810.1 secs Computing kpt #: 294 total cpu time spent up to now is 812.6 secs Computing kpt #: 295 total cpu time spent up to now is 815.4 secs Computing kpt #: 296 total cpu time spent up to now is 817.9 secs Computing kpt #: 297 total cpu time spent up to now is 820.4 secs Computing kpt #: 298 total cpu time spent up to now is 823.0 secs Computing kpt #: 299 total cpu time spent up to now is 825.5 secs Computing kpt #: 300 total cpu time spent up to now is 828.3 secs Computing kpt #: 301 total cpu time spent up to now is 830.8 secs Computing kpt #: 302 total cpu time spent up to now is 833.3 secs Computing kpt #: 303 total cpu time spent up to now is 836.5 secs Computing kpt #: 304 total cpu time spent up to now is 839.6 secs Computing kpt #: 305 total cpu time spent up to now is 842.5 secs Computing kpt #: 306 total cpu time spent up to now is 845.0 secs Computing kpt #: 307 total cpu time spent up to now is 847.6 secs Computing kpt #: 308 total cpu time spent up to now is 850.1 secs Computing kpt #: 309 total cpu time spent up to now is 852.6 secs Computing kpt #: 310 total cpu time spent up to now is 855.1 secs Computing kpt #: 311 total cpu time spent up to now is 857.7 secs Computing kpt #: 312 total cpu time spent up to now is 860.3 secs Computing kpt #: 313 total cpu time spent up to now is 863.4 secs Computing kpt #: 314 total cpu time spent up to now is 865.8 secs Computing kpt #: 315 total cpu time spent up to now is 868.3 secs Computing kpt #: 316 total cpu time spent up to now is 870.7 secs Computing kpt #: 317 total cpu time spent up to now is 873.4 secs Computing kpt #: 318 total cpu time spent up to now is 875.8 secs Computing kpt #: 319 total cpu time spent up to now is 878.2 secs Computing kpt #: 320 total cpu time spent up to now is 880.7 secs Computing kpt #: 321 total cpu time spent up to now is 883.2 secs Computing kpt #: 322 total cpu time spent up to now is 885.8 secs Computing kpt #: 323 total cpu time spent up to now is 888.7 secs Computing kpt #: 324 total cpu time spent up to now is 891.2 secs Computing kpt #: 325 total cpu time spent up to now is 893.9 secs Computing kpt #: 326 total cpu time spent up to now is 896.7 secs Computing kpt #: 327 total cpu time spent up to now is 899.1 secs Computing kpt #: 328 total cpu time spent up to now is 901.6 secs Computing kpt #: 329 total cpu time spent up to now is 904.1 secs Computing kpt #: 330 total cpu time spent up to now is 906.7 secs Computing kpt #: 331 total cpu time spent up to now is 909.2 secs Computing kpt #: 332 total cpu time spent up to now is 911.8 secs Computing kpt #: 333 total cpu time spent up to now is 914.5 secs Computing kpt #: 334 total cpu time spent up to now is 917.0 secs Computing kpt #: 335 total cpu time spent up to now is 919.3 secs Computing kpt #: 336 total cpu time spent up to now is 921.7 secs Computing kpt #: 337 total cpu time spent up to now is 924.3 secs Computing kpt #: 338 total cpu time spent up to now is 926.7 secs Computing kpt #: 339 total cpu time spent up to now is 929.3 secs Computing kpt #: 340 total cpu time spent up to now is 931.8 secs Computing kpt #: 341 total cpu time spent up to now is 934.3 secs Computing kpt #: 342 total cpu time spent up to now is 936.8 secs Computing kpt #: 343 total cpu time spent up to now is 939.2 secs Computing kpt #: 344 total cpu time spent up to now is 941.6 secs Computing kpt #: 345 total cpu time spent up to now is 944.1 secs Computing kpt #: 346 total cpu time spent up to now is 946.6 secs Computing kpt #: 347 total cpu time spent up to now is 949.0 secs Computing kpt #: 348 total cpu time spent up to now is 951.2 secs Computing kpt #: 349 total cpu time spent up to now is 953.5 secs Computing kpt #: 350 total cpu time spent up to now is 957.3 secs Computing kpt #: 351 total cpu time spent up to now is 959.7 secs Computing kpt #: 352 total cpu time spent up to now is 962.3 secs Computing kpt #: 353 total cpu time spent up to now is 964.7 secs Computing kpt #: 354 total cpu time spent up to now is 967.1 secs Computing kpt #: 355 total cpu time spent up to now is 969.4 secs Computing kpt #: 356 total cpu time spent up to now is 971.9 secs Computing kpt #: 357 total cpu time spent up to now is 974.2 secs Computing kpt #: 358 total cpu time spent up to now is 976.5 secs Computing kpt #: 359 total cpu time spent up to now is 979.1 secs Computing kpt #: 360 total cpu time spent up to now is 981.5 secs Computing kpt #: 361 total cpu time spent up to now is 983.8 secs Computing kpt #: 362 total cpu time spent up to now is 986.1 secs Computing kpt #: 363 total cpu time spent up to now is 990.1 secs Computing kpt #: 364 total cpu time spent up to now is 993.4 secs Computing kpt #: 365 total cpu time spent up to now is 995.8 secs Computing kpt #: 366 total cpu time spent up to now is 998.4 secs Computing kpt #: 367 total cpu time spent up to now is 1000.7 secs ethr = 2.94E-11, avg # of iterations = 27.7 total cpu time spent up to now is 1001.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2559 -20.2559 -16.1577 -16.1577 -16.1477 -16.1477 -16.1141 -16.1141 -8.3515 -8.3515 -4.8779 -4.8779 -4.8627 -4.8627 -4.2976 -4.2976 -1.0619 -1.0619 -0.3382 -0.3382 0.5350 0.5350 0.5581 0.5581 0.6635 0.6635 0.6917 0.6917 1.6640 1.6640 1.6744 1.6744 8.2581 8.2581 9.6062 9.6062 10.6234 10.6234 10.6637 10.6637 k = 0.0000 0.0000 0.0148 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.2556 -20.2556 -16.1588 -16.1573 -16.1481 -16.1480 -16.1148 -16.1133 -8.3506 -8.3506 -4.8784 -4.8775 -4.8627 -4.8626 -4.2973 -4.2963 -1.0624 -1.0621 -0.3378 -0.3377 0.5325 0.5330 0.5557 0.5561 0.6664 0.6667 0.6906 0.6910 1.6640 1.6641 1.6743 1.6746 8.2600 8.2601 9.6065 9.6079 10.6224 10.6238 10.6634 10.6634 k = 0.0000 0.0000 0.0296 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.2549 -20.2549 -16.1608 -16.1578 -16.1494 -16.1491 -16.1151 -16.1122 -8.3482 -8.3482 -4.8795 -4.8776 -4.8624 -4.8620 -4.2955 -4.2935 -1.0636 -1.0631 -0.3366 -0.3365 0.5249 0.5260 0.5506 0.5510 0.6741 0.6753 0.6884 0.6887 1.6642 1.6645 1.6745 1.6751 8.2659 8.2660 9.6087 9.6115 10.6210 10.6236 10.6626 10.6627 k = 0.0000 0.0000 0.0443 ( 5781 PWs) bands (ev): -94.6158 -94.6158 -20.2537 -20.2537 -16.1636 -16.1594 -16.1514 -16.1504 -16.1153 -16.1112 -8.3442 -8.3442 -4.8821 -4.8791 -4.8608 -4.8600 -4.2922 -4.2892 -1.0656 -1.0648 -0.3346 -0.3344 0.5116 0.5133 0.5450 0.5455 0.6783 0.6840 0.6876 0.6915 1.6647 1.6651 1.6750 1.6758 8.2755 8.2757 9.6128 9.6171 10.6190 10.6227 10.6613 10.6618 k = 0.0000 0.0000 0.0591 ( 5787 PWs) bands (ev): -94.6158 -94.6158 -20.2520 -20.2520 -16.1674 -16.1621 -16.1540 -16.1520 -16.1152 -16.1101 -8.3386 -8.3386 -4.8866 -4.8828 -4.8573 -4.8559 -4.2875 -4.2835 -1.0683 -1.0673 -0.3318 -0.3315 0.4935 0.4958 0.5391 0.5401 0.6731 0.6781 0.7019 0.7044 1.6652 1.6658 1.6758 1.6768 8.2889 8.2892 9.6188 9.6246 10.6163 10.6210 10.6599 10.6608 k = 0.0000 0.0000 0.0739 ( 5789 PWs) bands (ev): -94.6158 -94.6158 -20.2498 -20.2498 -16.1721 -16.1662 -16.1567 -16.1537 -16.1151 -16.1092 -8.3314 -8.3314 -4.8928 -4.8883 -4.8518 -4.8499 -4.2814 -4.2765 -1.0718 -1.0705 -0.3282 -0.3278 0.4721 0.4748 0.5328 0.5345 0.6646 0.6701 0.7177 0.7202 1.6659 1.6667 1.6769 1.6781 8.3060 8.3063 9.6266 9.6339 10.6127 10.6181 10.6584 10.6601 k = 0.0000 0.0000 0.0887 ( 5785 PWs) bands (ev): -94.6158 -94.6158 -20.2471 -20.2471 -16.1778 -16.1716 -16.1595 -16.1555 -16.1150 -16.1085 -8.3227 -8.3227 -4.9006 -4.8955 -4.8447 -4.8423 -4.2740 -4.2683 -1.0760 -1.0744 -0.3238 -0.3233 0.4480 0.4511 0.5256 0.5283 0.6542 0.6605 0.7345 0.7372 1.6667 1.6677 1.6784 1.6798 8.3264 8.3269 9.6362 9.6450 10.6081 10.6140 10.6572 10.6601 k = 0.0000 0.0000 0.1034 ( 5789 PWs) bands (ev): -94.6158 -94.6158 -20.2440 -20.2440 -16.1843 -16.1780 -16.1624 -16.1575 -16.1150 -16.1079 -8.3124 -8.3124 -4.9096 -4.9040 -4.8360 -4.8331 -4.2655 -4.2590 -1.0808 -1.0791 -0.3186 -0.3180 0.4217 0.4250 0.5173 0.5212 0.6419 0.6494 0.7522 0.7551 1.6675 1.6688 1.6803 1.6819 8.3502 8.3507 9.6475 9.6578 10.6024 10.6085 10.6564 10.6608 k = 0.0000 0.0000 0.1182 ( 5773 PWs) bands (ev): -94.6158 -94.6158 -20.2405 -20.2405 -16.1916 -16.1854 -16.1655 -16.1598 -16.1151 -16.1075 -8.3007 -8.3006 -4.9197 -4.9137 -4.8258 -4.8225 -4.2559 -4.2487 -1.0864 -1.0844 -0.3126 -0.3119 0.3933 0.3967 0.5080 0.5133 0.6281 0.6369 0.7706 0.7738 1.6683 1.6699 1.6827 1.6844 8.3770 8.3776 9.6603 9.6721 10.5955 10.6017 10.6564 10.6623 k = 0.0000 0.0000 0.1330 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.2365 -20.2364 -16.1997 -16.1936 -16.1687 -16.1624 -16.1153 -16.1074 -8.2874 -8.2874 -4.9309 -4.9244 -4.8143 -4.8105 -4.2455 -4.2375 -1.0926 -1.0904 -0.3058 -0.3051 0.3629 0.3664 0.4973 0.5043 0.6129 0.6233 0.7896 0.7931 1.6692 1.6711 1.6854 1.6873 8.4066 8.4072 9.6746 9.6880 10.5876 10.5938 10.6571 10.6648 k = 0.0000 0.0000 0.1478 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.2320 -20.2320 -16.2086 -16.2027 -16.1721 -16.1653 -16.1156 -16.1074 -8.2728 -8.2727 -4.9429 -4.9361 -4.8015 -4.7972 -4.2342 -4.2255 -1.0995 -1.0969 -0.2984 -0.2975 0.3308 0.3342 0.4850 0.4941 0.5968 0.6090 0.8093 0.8130 1.6701 1.6723 1.6885 1.6907 8.4387 8.4394 9.6903 9.7053 10.5786 10.5848 10.6588 10.6683 k = 0.0000 0.0000 0.1625 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.2272 -20.2271 -16.2182 -16.2124 -16.1757 -16.1684 -16.1162 -16.1077 -8.2567 -8.2567 -4.9556 -4.9485 -4.7874 -4.7826 -4.2222 -4.2129 -1.1069 -1.1041 -0.2903 -0.2893 0.2969 0.3002 0.4709 0.4822 0.5801 0.5943 0.8296 0.8336 1.6711 1.6737 1.6920 1.6944 8.4731 8.4738 9.7072 9.7237 10.5688 10.5751 10.6614 10.6727 k = 0.0000 0.0000 0.1773 ( 5779 PWs) bands (ev): -94.6158 -94.6158 -20.2219 -20.2219 -16.2284 -16.2228 -16.1795 -16.1717 -16.1168 -16.1081 -8.2394 -8.2393 -4.9690 -4.9616 -4.7721 -4.7668 -4.2096 -4.1998 -1.1149 -1.1119 -0.2815 -0.2804 0.2615 0.2646 0.4546 0.4681 0.5635 0.5797 0.8505 0.8547 1.6722 1.6750 1.6958 1.6985 8.5093 8.5101 9.7252 9.7433 10.5583 10.5647 10.6650 10.6781 k = 0.0000 0.0000 0.1921 ( 5781 PWs) bands (ev): -94.6158 -94.6158 -20.2162 -20.2162 -16.2392 -16.2338 -16.1834 -16.1753 -16.1176 -16.1088 -8.2207 -8.2206 -4.9829 -4.9753 -4.7556 -4.7498 -4.1965 -4.1861 -1.1234 -1.1201 -0.2723 -0.2711 0.2247 0.2275 0.4361 0.4514 0.5475 0.5655 0.8720 0.8764 1.6733 1.6765 1.6999 1.7029 8.5471 8.5479 9.7440 9.7637 10.5473 10.5537 10.6698 10.6847 k = 0.0000 0.0000 0.2069 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2102 -20.2102 -16.2507 -16.2455 -16.1875 -16.1791 -16.1186 -16.1096 -8.2008 -8.2007 -4.9973 -4.9896 -4.7380 -4.7316 -4.1830 -4.1721 -1.1323 -1.1288 -0.2625 -0.2612 0.1866 0.1891 0.4150 0.4316 0.5329 0.5520 0.8941 0.8987 1.6746 1.6780 1.7043 1.7075 8.5861 8.5870 9.7636 9.7849 10.5360 10.5425 10.6757 10.6924 k = 0.0000 0.0000 0.2216 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.2039 -20.2038 -16.2627 -16.2577 -16.1917 -16.1832 -16.1197 -16.1106 -8.1797 -8.1796 -5.0122 -5.0042 -4.7194 -4.7125 -4.1691 -4.1578 -1.1417 -1.1379 -0.2525 -0.2511 0.1476 0.1496 0.3914 0.4088 0.5197 0.5394 0.9167 0.9216 1.6760 1.6797 1.7088 1.7124 8.6260 8.6269 9.7838 9.8066 10.5245 10.5311 10.6829 10.7013 k = 0.0000 0.0000 0.2364 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -20.1972 -20.1972 -16.2752 -16.2704 -16.1961 -16.1873 -16.1209 -16.1117 -8.1574 -8.1574 -5.0274 -5.0193 -4.6997 -4.6923 -4.1550 -4.1432 -1.1514 -1.1473 -0.2424 -0.2407 0.1077 0.1092 0.3655 0.3830 0.5079 0.5277 0.9398 0.9449 1.6774 1.6814 1.7136 1.7175 8.6665 8.6674 9.8043 9.8287 10.5129 10.5196 10.6915 10.7116 k = 0.0000 0.0000 0.2512 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.1902 -20.1902 -16.2881 -16.2835 -16.2005 -16.1917 -16.1222 -16.1131 -8.1342 -8.1341 -5.0428 -5.0347 -4.6792 -4.6712 -4.1407 -4.1284 -1.1613 -1.1570 -0.2324 -0.2305 0.0673 0.0682 0.3373 0.3547 0.4974 0.5168 0.9634 0.9688 1.6790 1.6832 1.7184 1.7226 8.7071 8.7080 9.8251 9.8509 10.5015 10.5083 10.7014 10.7232 k = 0.0000 0.0000 0.2660 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.1829 -20.1829 -16.3015 -16.2971 -16.2050 -16.1962 -16.1236 -16.1145 -8.1099 -8.1098 -5.0585 -5.0504 -4.6579 -4.6493 -4.1263 -4.1135 -1.1715 -1.1669 -0.2228 -0.2207 0.0269 0.0271 0.3073 0.3243 0.4879 0.5068 0.9875 0.9930 1.6807 1.6851 1.7234 1.7279 8.7475 8.7485 9.8458 9.8730 10.4903 10.4972 10.7129 10.7363 k = 0.0000 0.0000 0.2808 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.1753 -20.1753 -16.3153 -16.3111 -16.2096 -16.2008 -16.1252 -16.1161 -8.0847 -8.0846 -5.0744 -5.0662 -4.6358 -4.6267 -4.1117 -4.0985 -1.1818 -1.1769 -0.2144 -0.2119 -0.0136 -0.0129 0.2756 0.2921 0.4792 0.4975 1.0120 1.0177 1.6825 1.6871 1.7283 1.7332 8.7874 8.7885 9.8663 9.8948 10.4796 10.4866 10.7259 10.7508 k = 0.0000 0.0000 0.2955 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.1676 -20.1675 -16.3294 -16.3254 -16.2143 -16.2055 -16.1268 -16.1178 -8.0587 -8.0586 -5.0905 -5.0823 -4.6132 -4.6034 -4.0971 -4.0835 -1.1922 -1.1870 -0.2082 -0.2053 -0.0526 -0.0510 0.2426 0.2587 0.4713 0.4889 1.0368 1.0427 1.6843 1.6892 1.7333 1.7385 8.8265 8.8276 9.8865 9.9161 10.4694 10.4765 10.7404 10.7667 k = 0.0000 0.0000 0.3103 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.1596 -20.1596 -16.3438 -16.3400 -16.2190 -16.2103 -16.1285 -16.1196 -8.0319 -8.0319 -5.1066 -5.0984 -4.5900 -4.5796 -4.0824 -4.0684 -1.2026 -1.1972 -0.2068 -0.2034 -0.0877 -0.0848 0.2085 0.2243 0.4641 0.4810 1.0619 1.0681 1.6863 1.6914 1.7382 1.7437 8.8645 8.8657 9.9063 9.9369 10.4599 10.4671 10.7563 10.7840 k = 0.0000 0.0000 0.3251 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.1514 -20.1514 -16.3584 -16.3548 -16.2238 -16.2151 -16.1303 -16.1216 -8.0045 -8.0044 -5.1228 -5.1146 -4.5664 -4.5554 -4.0677 -4.0532 -1.2130 -1.2073 -0.2146 -0.2112 -0.1137 -0.1101 0.1737 0.1892 0.4575 0.4738 1.0873 1.0937 1.6883 1.6935 1.7430 1.7488 8.9011 8.9024 9.9254 9.9569 10.4512 10.4585 10.7736 10.8025 k = 0.0000 0.0000 0.3399 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -20.1431 -20.1431 -16.3732 -16.3697 -16.2285 -16.2200 -16.1321 -16.1235 -7.9764 -7.9763 -5.1390 -5.1309 -4.5425 -4.5310 -4.0529 -4.0380 -1.2233 -1.2173 -0.2354 -0.2330 -0.1266 -0.1233 0.1385 0.1540 0.4518 0.4674 1.1129 1.1194 1.6903 1.6958 1.7476 1.7537 8.9361 8.9375 9.9439 9.9760 10.4433 10.4507 10.7921 10.8220 k = 0.0000 0.0000 0.3546 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -20.1347 -20.1347 -16.3881 -16.3848 -16.2333 -16.2249 -16.1340 -16.1256 -7.9479 -7.9478 -5.1552 -5.1472 -4.5186 -4.5064 -4.0381 -4.0228 -1.2335 -1.2271 -0.2664 -0.2653 -0.1302 -0.1273 0.1035 0.1189 0.4469 0.4619 1.1386 1.1453 1.6924 1.6980 1.7521 1.7585 8.9694 8.9708 9.9616 9.9943 10.4363 10.4438 10.8115 10.8423 k = 0.0000 0.0000 0.3694 ( 5773 PWs) bands (ev): -94.6158 -94.6158 -20.1262 -20.1262 -16.4031 -16.4000 -16.2380 -16.2298 -16.1360 -16.1277 -7.9189 -7.9188 -5.1714 -5.1635 -4.4946 -4.4819 -4.0231 -4.0075 -1.2434 -1.2368 -0.3030 -0.3019 -0.1306 -0.1278 0.0692 0.0847 0.4428 0.4572 1.1643 1.1713 1.6945 1.7002 1.7563 1.7630 9.0007 9.0022 9.9787 10.0117 10.4303 10.4378 10.8317 10.8631 k = 0.0000 0.0000 0.3842 ( 5759 PWs) bands (ev): -94.6158 -94.6158 -20.1176 -20.1176 -16.4180 -16.4151 -16.2427 -16.2347 -16.1379 -16.1299 -7.8896 -7.8896 -5.1875 -5.1797 -4.4709 -4.4576 -4.0081 -3.9921 -1.2531 -1.2462 -0.3420 -0.3397 -0.1315 -0.1288 0.0367 0.0521 0.4399 0.4536 1.1901 1.1973 1.6966 1.7024 1.7603 1.7673 9.0299 9.0315 9.9951 10.0283 10.4251 10.4327 10.8521 10.8841 k = 0.0000 0.0000 0.3990 ( 5759 PWs) bands (ev): -94.6158 -94.6158 -20.1090 -20.1090 -16.4330 -16.4302 -16.2473 -16.2396 -16.1399 -16.1321 -7.8601 -7.8601 -5.2034 -5.1958 -4.4475 -4.4337 -3.9929 -3.9766 -1.2626 -1.2554 -0.3815 -0.3781 -0.1354 -0.1329 0.0072 0.0224 0.4381 0.4512 1.2158 1.2232 1.6986 1.7046 1.7640 1.7712 9.0570 9.0587 10.0109 10.0441 10.4210 10.4286 10.8725 10.9049 k = 0.0000 0.0000 0.4137 ( 5759 PWs) bands (ev): -94.6158 -94.6158 -20.1004 -20.1004 -16.4478 -16.4452 -16.2519 -16.2444 -16.1418 -16.1343 -7.8305 -7.8305 -5.2192 -5.2118 -4.4246 -4.4104 -3.9774 -3.9609 -1.2717 -1.2642 -0.4208 -0.4163 -0.1439 -0.1423 -0.0173 -0.0032 0.4375 0.4499 1.2413 1.2490 1.7006 1.7067 1.7674 1.7749 9.0818 9.0838 10.0262 10.0594 10.4176 10.4253 10.8924 10.9251 k = 0.0000 0.0000 0.4285 ( 5755 PWs) bands (ev): -94.6158 -94.6158 -20.0919 -20.0919 -16.4625 -16.4600 -16.2563 -16.2491 -16.1438 -16.1365 -7.8010 -7.8009 -5.2349 -5.2276 -4.4024 -4.3879 -3.9617 -3.9450 -1.2805 -1.2727 -0.4596 -0.4540 -0.1589 -0.1578 -0.0358 -0.0236 0.4382 0.4500 1.2667 1.2746 1.7025 1.7088 1.7705 1.7782 9.1046 9.1066 10.0412 10.0743 10.4151 10.4229 10.9114 10.9442 k = 0.0000 0.0000 0.4433 ( 5749 PWs) bands (ev): -94.6158 -94.6158 -20.0835 -20.0834 -16.4769 -16.4746 -16.2607 -16.2538 -16.1457 -16.1387 -7.7715 -7.7714 -5.2503 -5.2432 -4.3811 -4.3663 -3.9456 -3.9288 -1.2889 -1.2808 -0.4978 -0.4911 -0.1810 -0.1778 -0.0489 -0.0390 0.4403 0.4514 1.2918 1.3000 1.7044 1.7107 1.7733 1.7811 9.1251 9.1272 10.0560 10.0889 10.4134 10.4212 10.9291 10.9620 k = 0.0000 0.0000 0.4581 ( 5765 PWs) bands (ev): -94.6158 -94.6158 -20.0751 -20.0751 -16.4911 -16.4889 -16.2650 -16.2583 -16.1477 -16.1409 -7.7422 -7.7422 -5.2654 -5.2585 -4.3608 -4.3458 -3.9292 -3.9123 -1.2969 -1.2885 -0.5353 -0.5275 -0.2070 -0.2017 -0.0586 -0.0510 0.4438 0.4542 1.3166 1.3250 1.7060 1.7125 1.7756 1.7836 9.1436 9.1458 10.0708 10.1033 10.4123 10.4202 10.9452 10.9779 k = 0.0000 0.0000 0.4728 ( 5755 PWs) bands (ev): -94.6158 -94.6158 -20.0670 -20.0669 -16.5049 -16.5029 -16.2691 -16.2627 -16.1495 -16.1431 -7.7133 -7.7133 -5.2803 -5.2736 -4.3416 -4.3266 -3.9123 -3.8956 -1.3044 -1.2957 -0.5721 -0.5632 -0.2347 -0.2275 -0.0670 -0.0612 0.4486 0.4583 1.3410 1.3496 1.7076 1.7141 1.7776 1.7857 9.1600 9.1623 10.0857 10.1179 10.4118 10.4197 10.9592 10.9917 k = 0.0000 0.0000 0.4876 ( 5755 PWs) bands (ev): -94.6158 -94.6158 -20.0590 -20.0590 -16.5184 -16.5165 -16.2731 -16.2670 -16.1514 -16.1452 -7.6849 -7.6848 -5.2948 -5.2884 -4.3237 -4.3087 -3.8950 -3.8786 -1.3114 -1.3024 -0.6081 -0.5982 -0.2623 -0.2536 -0.0753 -0.0709 0.4546 0.4636 1.3649 1.3738 1.7089 1.7155 1.7792 1.7874 9.1745 9.1768 10.1008 10.1325 10.4118 10.4198 10.9709 11.0031 k = 0.0000 0.0000 0.5024 ( 5755 PWs) bands (ev): -94.6158 -94.6158 -20.0512 -20.0512 -16.5314 -16.5296 -16.2769 -16.2712 -16.1531 -16.1473 -7.6571 -7.6570 -5.3090 -5.3028 -4.3071 -4.2924 -3.8774 -3.8614 -1.3178 -1.3086 -0.6435 -0.6327 -0.2887 -0.2789 -0.0842 -0.0810 0.4617 0.4700 1.3884 1.3975 1.7101 1.7168 1.7804 1.7887 9.1872 9.1896 10.1162 10.1474 10.4122 10.4203 10.9802 11.0119 k = 0.0000 0.0000 0.5172 ( 5753 PWs) bands (ev): -94.6158 -94.6158 -20.0437 -20.0437 -16.5439 -16.5423 -16.2806 -16.2751 -16.1548 -16.1493 -7.6300 -7.6299 -5.3226 -5.3167 -4.2919 -4.2776 -3.8595 -3.8440 -1.3236 -1.3141 -0.6783 -0.6668 -0.3133 -0.3026 -0.0940 -0.0919 0.4697 0.4773 1.4113 1.4206 1.7110 1.7177 1.7812 1.7895 9.1983 9.2006 10.1320 10.1626 10.4129 10.4212 10.9868 11.0181 k = 0.0000 0.0000 0.5320 ( 5765 PWs) bands (ev): -94.6158 -94.6158 -20.0365 -20.0365 -16.5559 -16.5544 -16.2840 -16.2789 -16.1565 -16.1513 -7.6038 -7.6037 -5.3359 -5.3303 -4.2781 -4.2643 -3.8414 -3.8265 -1.3286 -1.3190 -0.7126 -0.7004 -0.3354 -0.3241 -0.1050 -0.1036 0.4784 0.4854 1.4335 1.4431 1.7116 1.7185 1.7817 1.7899 9.2078 9.2101 10.1481 10.1781 10.4140 10.4224 10.9908 11.0215 k = 0.0000 0.0000 0.5467 ( 5769 PWs) bands (ev): -94.6158 -94.6158 -20.0296 -20.0296 -16.5673 -16.5659 -16.2873 -16.2825 -16.1580 -16.1532 -7.5786 -7.5785 -5.3485 -5.3432 -4.2658 -4.2526 -3.8232 -3.8091 -1.3329 -1.3231 -0.7464 -0.7337 -0.3547 -0.3431 -0.1172 -0.1163 0.4876 0.4940 1.4551 1.4649 1.7119 1.7189 1.7818 1.7899 9.2159 9.2182 10.1646 10.1938 10.4153 10.4239 10.9923 11.0222 k = 0.0000 0.0000 0.5615 ( 5769 PWs) bands (ev): -94.6158 -94.6158 -20.0231 -20.0231 -16.5781 -16.5768 -16.2904 -16.2860 -16.1594 -16.1550 -7.5545 -7.5544 -5.3606 -5.3556 -4.2548 -4.2423 -3.8052 -3.7919 -1.3363 -1.3264 -0.7795 -0.7666 -0.3710 -0.3592 -0.1305 -0.1297 0.4972 0.5030 1.4760 1.4860 1.7119 1.7190 1.7816 1.7894 9.2228 9.2250 10.1813 10.2097 10.4169 10.4256 10.9913 11.0203 k = 0.0000 0.0000 0.5763 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -20.0170 -20.0170 -16.5881 -16.5870 -16.2932 -16.2892 -16.1608 -16.1567 -7.5317 -7.5316 -5.3720 -5.3674 -4.2451 -4.2335 -3.7874 -3.7751 -1.3388 -1.3288 -0.8121 -0.7990 -0.3842 -0.3725 -0.1449 -0.1437 0.5068 0.5121 1.4961 1.5063 1.7115 1.7187 1.7810 1.7886 9.2286 9.2307 10.1982 10.2256 10.4187 10.4276 10.9881 11.0161 k = 0.0000 0.0000 0.5911 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.0113 -20.0113 -16.5975 -16.5964 -16.2958 -16.2921 -16.1620 -16.1582 -7.5103 -7.5102 -5.3827 -5.3785 -4.2367 -4.2259 -3.7702 -3.7589 -1.3402 -1.3303 -0.8437 -0.8308 -0.3942 -0.3827 -0.1600 -0.1584 0.5164 0.5211 1.5154 1.5258 1.7106 1.7180 1.7803 1.7875 9.2334 9.2355 10.2152 10.2414 10.4207 10.4298 10.9829 11.0097 k = 0.0000 0.0000 0.6058 ( 5789 PWs) bands (ev): -94.6158 -94.6158 -20.0060 -20.0060 -16.6061 -16.6051 -16.2982 -16.2949 -16.1631 -16.1597 -7.4905 -7.4904 -5.3926 -5.3887 -4.2294 -4.2196 -3.7538 -3.7435 -1.3407 -1.3308 -0.8744 -0.8617 -0.4012 -0.3901 -0.1757 -0.1736 0.5257 0.5298 1.5338 1.5444 1.7092 1.7168 1.7793 1.7861 9.2374 9.2393 10.2319 10.2567 10.4230 10.4322 10.9762 11.0016 k = 0.0000 0.0000 0.6206 ( 5786 PWs) bands (ev): -94.6158 -94.6158 -20.0012 -20.0012 -16.6138 -16.6130 -16.3003 -16.2974 -16.1641 -16.1611 -7.4723 -7.4722 -5.4017 -5.3982 -4.2231 -4.2143 -3.7383 -3.7291 -1.3400 -1.3304 -0.9037 -0.8914 -0.4054 -0.3947 -0.1916 -0.1891 0.5345 0.5381 1.5514 1.5622 1.7072 1.7151 1.7782 1.7844 9.2407 9.2424 10.2481 10.2713 10.4255 10.4348 10.9682 10.9921 k = 0.0000 0.0000 0.6354 ( 5790 PWs) bands (ev): -94.6158 -94.6158 -19.9970 -19.9969 -16.6208 -16.6200 -16.3022 -16.2996 -16.1650 -16.1623 -7.4559 -7.4559 -5.4098 -5.4067 -4.2177 -4.2101 -3.7240 -3.7159 -1.3384 -1.3291 -0.9313 -0.9197 -0.4069 -0.3969 -0.2076 -0.2048 0.5427 0.5458 1.5681 1.5790 1.7046 1.7128 1.7771 1.7827 9.2434 9.2449 10.2636 10.2849 10.4284 10.4375 10.9596 10.9815 k = 0.0000 0.0000 0.6502 ( 5786 PWs) bands (ev): -94.6158 -94.6158 -19.9932 -19.9932 -16.6268 -16.6262 -16.3038 -16.3016 -16.1657 -16.1634 -7.4415 -7.4414 -5.4170 -5.4143 -4.2133 -4.2066 -3.7111 -3.7041 -1.3358 -1.3271 -0.9568 -0.9460 -0.4061 -0.3968 -0.2233 -0.2203 0.5501 0.5528 1.5839 1.5948 1.7013 1.7098 1.7760 1.7808 9.2455 9.2469 10.2781 10.2970 10.4316 10.4404 10.9507 10.9705 k = 0.0000 0.0000 0.6649 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9900 -19.9900 -16.6320 -16.6315 -16.3052 -16.3033 -16.1663 -16.1644 -7.4291 -7.4290 -5.4231 -5.4209 -4.2096 -4.2040 -3.6998 -3.6939 -1.3325 -1.3245 -0.9797 -0.9700 -0.4033 -0.3948 -0.2385 -0.2353 0.5566 0.5589 1.5986 1.6095 1.6972 1.7061 1.7749 1.7790 9.2472 9.2484 10.2911 10.3075 10.4351 10.4433 10.9422 10.9595 k = 0.0000 0.0000 0.6797 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9873 -19.9873 -16.6363 -16.6359 -16.3063 -16.3048 -16.1668 -16.1653 -7.4188 -7.4187 -5.4282 -5.4264 -4.2065 -4.2021 -3.6902 -3.6855 -1.3287 -1.3218 -0.9994 -0.9911 -0.3990 -0.3915 -0.2527 -0.2494 0.5622 0.5639 1.6124 1.6231 1.6925 1.7016 1.7740 1.7773 9.2485 9.2495 10.3025 10.3159 10.4387 10.4459 10.9346 10.9491 k = 0.0000 0.0000 0.6945 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9853 -19.9853 -16.6396 -16.6393 -16.3071 -16.3059 -16.1671 -16.1660 -7.4107 -7.4106 -5.4321 -5.4308 -4.2041 -4.2008 -3.6824 -3.6789 -1.3248 -1.3192 -1.0154 -1.0088 -0.3937 -0.3875 -0.2652 -0.2621 0.5666 0.5679 1.6250 1.6354 1.6871 1.6963 1.7734 1.7758 9.2495 9.2502 10.3119 10.3222 10.4423 10.4481 10.9285 10.9397 k = 0.0000 0.0000 0.7093 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -19.9838 -19.9838 -16.6420 -16.6418 -16.3076 -16.3068 -16.1673 -16.1665 -7.4048 -7.4048 -5.4349 -5.4340 -4.2023 -4.2000 -3.6766 -3.6743 -1.3212 -1.3172 -1.0270 -1.0224 -0.3883 -0.3836 -0.2752 -0.2727 0.5699 0.5708 1.6363 1.6459 1.6816 1.6903 1.7730 1.7746 9.2503 9.2507 10.3192 10.3262 10.4455 10.4497 10.9243 10.9320 k = 0.0000 0.0000 0.7240 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -19.9829 -19.9829 -16.6434 -16.6433 -16.3078 -16.3074 -16.1673 -16.1669 -7.4013 -7.4013 -5.4365 -5.4360 -4.2010 -4.1998 -3.6729 -3.6717 -1.3183 -1.3163 -1.0337 -1.0313 -0.3837 -0.3812 -0.2816 -0.2802 0.5720 0.5724 1.6460 1.6529 1.6775 1.6839 1.7729 1.7737 9.2507 9.2510 10.3244 10.3279 10.4481 10.4502 10.9224 10.9263 k = 0.0000 0.0000 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6438 -16.6438 -16.3078 -16.3078 -16.1672 -16.1672 -7.4001 -7.4001 -5.4368 -5.4368 -4.2001 -4.2001 -3.6712 -3.6712 -1.3166 -1.3166 -1.0352 -1.0352 -0.3811 -0.3811 -0.2833 -0.2833 0.5728 0.5728 1.6527 1.6527 1.6785 1.6785 1.7731 1.7731 9.2510 9.2510 10.3273 10.3273 10.4497 10.4497 10.9231 10.9231 k = 0.0000 0.0000 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6438 -16.6438 -16.3078 -16.3078 -16.1672 -16.1672 -7.4001 -7.4001 -5.4368 -5.4368 -4.2001 -4.2001 -3.6712 -3.6712 -1.3166 -1.3166 -1.0352 -1.0352 -0.3811 -0.3811 -0.2833 -0.2833 0.5728 0.5728 1.6527 1.6527 1.6785 1.6785 1.7731 1.7731 9.2510 9.2510 10.3273 10.3273 10.4497 10.4497 10.9231 10.9231 k =-0.0101 0.0109 0.7388 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6442 -16.6436 -16.3081 -16.3073 -16.1673 -16.1672 -7.3996 -7.3996 -5.4366 -5.4359 -4.2006 -4.1998 -3.6718 -3.6714 -1.3170 -1.3168 -1.0360 -1.0352 -0.3874 -0.3846 -0.2791 -0.2774 0.5726 0.5730 1.6503 1.6519 1.6782 1.6789 1.7728 1.7744 9.2513 9.2515 10.3265 10.3275 10.4486 10.4490 10.9230 10.9241 k =-0.0201 0.0219 0.7388 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6449 -16.6436 -16.3083 -16.3068 -16.1675 -16.1674 -7.3980 -7.3980 -5.4350 -5.4336 -4.2010 -4.1994 -3.6732 -3.6723 -1.3181 -1.3177 -1.0377 -1.0361 -0.4006 -0.3959 -0.2665 -0.2639 0.5723 0.5732 1.6449 1.6477 1.6785 1.6794 1.7732 1.7763 9.2527 9.2530 10.3252 10.3272 10.4458 10.4466 10.9238 10.9261 k =-0.0302 0.0328 0.7388 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6458 -16.6438 -16.3083 -16.3061 -16.1679 -16.1677 -7.3954 -7.3953 -5.4322 -5.4301 -4.2015 -4.1991 -3.6753 -3.6739 -1.3197 -1.3192 -1.0403 -1.0378 -0.4173 -0.4113 -0.2494 -0.2466 0.5720 0.5734 1.6366 1.6405 1.6793 1.6801 1.7743 1.7786 9.2549 9.2555 10.3233 10.3263 10.4413 10.4425 10.9254 10.9288 k =-0.0402 0.0438 0.7388 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -19.9823 -19.9823 -16.6469 -16.6443 -16.3082 -16.3053 -16.1684 -16.1681 -7.3918 -7.3916 -5.4281 -5.4254 -4.2020 -4.1988 -3.6782 -3.6763 -1.3219 -1.3213 -1.0436 -1.0404 -0.4352 -0.4284 -0.2302 -0.2275 0.5716 0.5735 1.6257 1.6304 1.6805 1.6811 1.7758 1.7811 9.2581 9.2588 10.3209 10.3249 10.4353 10.4369 10.9280 10.9324 k =-0.0503 0.0547 0.7388 ( 5786 PWs) bands (ev): -94.6158 -94.6158 -19.9822 -19.9821 -16.6482 -16.6450 -16.3080 -16.3044 -16.1691 -16.1686 -7.3872 -7.3870 -5.4228 -5.4194 -4.2026 -4.1986 -3.6818 -3.6795 -1.3247 -1.3239 -1.0477 -1.0437 -0.4534 -0.4458 -0.2102 -0.2077 0.5712 0.5735 1.6125 1.6177 1.6818 1.6826 1.7774 1.7835 9.2622 9.2631 10.3178 10.3228 10.4280 10.4298 10.9313 10.9367 k =-0.0604 0.0657 0.7388 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9820 -19.9820 -16.6497 -16.6459 -16.3076 -16.3033 -16.1698 -16.1693 -7.3815 -7.3813 -5.4164 -5.4123 -4.2032 -4.1984 -3.6861 -3.6834 -1.3281 -1.3270 -1.0526 -1.0478 -0.4713 -0.4631 -0.1902 -0.1880 0.5707 0.5735 1.5971 1.6028 1.6833 1.6847 1.7790 1.7857 9.2672 9.2682 10.3140 10.3200 10.4197 10.4215 10.9354 10.9417 k =-0.0704 0.0766 0.7388 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9818 -19.9817 -16.6514 -16.6470 -16.3071 -16.3022 -16.1707 -16.1701 -7.3750 -7.3747 -5.4087 -5.4039 -4.2037 -4.1981 -3.6911 -3.6880 -1.3318 -1.3306 -1.0582 -1.0525 -0.4886 -0.4798 -0.1705 -0.1687 0.5701 0.5733 1.5798 1.5859 1.6851 1.6871 1.7804 1.7877 9.2729 9.2741 10.3094 10.3163 10.4105 10.4124 10.9401 10.9472 k =-0.0805 0.0875 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9815 -19.9815 -16.6533 -16.6484 -16.3064 -16.3009 -16.1717 -16.1710 -7.3675 -7.3671 -5.3999 -5.3944 -4.2043 -4.1979 -3.6969 -3.6933 -1.3360 -1.3346 -1.0643 -1.0579 -0.5050 -0.4957 -0.1515 -0.1501 0.5693 0.5730 1.5607 1.5672 1.6871 1.6898 1.7815 1.7892 9.2795 9.2809 10.3039 10.3116 10.4010 10.4027 10.9453 10.9532 k =-0.0905 0.0985 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9812 -19.9812 -16.6554 -16.6500 -16.3056 -16.2995 -16.1728 -16.1721 -7.3591 -7.3587 -5.3900 -5.3839 -4.2048 -4.1977 -3.7033 -3.6993 -1.3406 -1.3390 -1.0709 -1.0638 -0.5206 -0.5108 -0.1334 -0.1323 0.5684 0.5725 1.5401 1.5467 1.6895 1.6929 1.7824 1.7904 9.2868 9.2883 10.2972 10.3057 10.3914 10.3929 10.9510 10.9595 k =-0.1006 0.1094 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9810 -19.9809 -16.6577 -16.6518 -16.3047 -16.2980 -16.1740 -16.1732 -7.3499 -7.3495 -5.3791 -5.3722 -4.2053 -4.1974 -3.7103 -3.7059 -1.3454 -1.3436 -1.0779 -1.0701 -0.5351 -0.5249 -0.1164 -0.1157 0.5672 0.5716 1.5178 1.5247 1.6922 1.6961 1.7829 1.7913 9.2948 9.2964 10.2890 10.2982 10.3822 10.3835 10.9571 10.9662 k =-0.1107 0.1204 0.7388 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -19.9806 -19.9806 -16.6602 -16.6539 -16.3036 -16.2964 -16.1753 -16.1744 -7.3399 -7.3395 -5.3671 -5.3596 -4.2057 -4.1970 -3.7180 -3.7132 -1.3504 -1.3483 -1.0851 -1.0767 -0.5488 -0.5382 -0.1006 -0.1003 0.5656 0.5704 1.4942 1.5012 1.6951 1.6997 1.7832 1.7920 9.3034 9.3052 10.2794 10.2891 10.3737 10.3748 10.9634 10.9730 k =-0.1207 0.1313 0.7388 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -19.9803 -19.9803 -16.6628 -16.6561 -16.3023 -16.2947 -16.1766 -16.1757 -7.3292 -7.3287 -5.3542 -5.3460 -4.2061 -4.1966 -3.7263 -3.7211 -1.3555 -1.3532 -1.0925 -1.0834 -0.5614 -0.5506 -0.0864 -0.0860 0.5636 0.5687 1.4693 1.4763 1.6983 1.7035 1.7834 1.7924 9.3126 9.3146 10.2682 10.2783 10.3662 10.3671 10.9699 10.9799 k =-0.1308 0.1423 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9799 -19.9799 -16.6656 -16.6586 -16.3009 -16.2929 -16.1781 -16.1771 -7.3178 -7.3173 -5.3405 -5.3316 -4.2063 -4.1961 -3.7351 -3.7295 -1.3606 -1.3580 -1.0998 -1.0901 -0.5733 -0.5622 -0.0738 -0.0731 0.5611 0.5664 1.4431 1.4503 1.7017 1.7075 1.7834 1.7927 9.3224 9.3245 10.2555 10.2658 10.3596 10.3606 10.9765 10.9869 k =-0.1408 0.1532 0.7388 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -19.9795 -19.9795 -16.6686 -16.6613 -16.2993 -16.2909 -16.1796 -16.1786 -7.3058 -7.3053 -5.3259 -5.3163 -4.2064 -4.1954 -3.7444 -3.7385 -1.3656 -1.3627 -1.1069 -1.0967 -0.5843 -0.5731 -0.0629 -0.0616 0.5578 0.5634 1.4158 1.4231 1.7053 1.7117 1.7834 1.7930 9.3327 9.3349 10.2416 10.2519 10.3540 10.3550 10.9830 10.9938 k =-0.1509 0.1641 0.7388 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -19.9791 -19.9791 -16.6717 -16.6641 -16.2976 -16.2889 -16.1812 -16.1802 -7.2933 -7.2927 -5.3105 -5.3003 -4.2063 -4.1946 -3.7543 -3.7480 -1.3704 -1.3672 -1.1138 -1.1030 -0.5945 -0.5832 -0.0535 -0.0518 0.5536 0.5595 1.3876 1.3949 1.7092 1.7161 1.7835 1.7933 9.3434 9.3458 10.2268 10.2370 10.3492 10.3503 10.9894 11.0005 k =-0.1610 0.1751 0.7388 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9787 -19.9787 -16.6749 -16.6672 -16.2957 -16.2868 -16.1829 -16.1818 -7.2803 -7.2797 -5.2945 -5.2837 -4.2061 -4.1936 -3.7646 -3.7580 -1.3748 -1.3714 -1.1201 -1.1089 -0.6042 -0.5928 -0.0459 -0.0436 0.5485 0.5545 1.3585 1.3659 1.7132 1.7206 1.7838 1.7938 9.3546 9.3571 10.2113 10.2214 10.3451 10.3462 10.9956 11.0070 k =-0.1710 0.1860 0.7388 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -19.9783 -19.9783 -16.6783 -16.6704 -16.2937 -16.2846 -16.1845 -16.1834 -7.2669 -7.2662 -5.2779 -5.2664 -4.2056 -4.1925 -3.7752 -3.7684 -1.3788 -1.3750 -1.1260 -1.1142 -0.6133 -0.6020 -0.0399 -0.0371 0.5421 0.5482 1.3288 1.3362 1.7175 1.7254 1.7843 1.7945 9.3661 9.3688 10.1955 10.2055 10.3414 10.3426 11.0016 11.0131 k =-0.1811 0.1970 0.7388 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9779 -19.9778 -16.6818 -16.6737 -16.2916 -16.2823 -16.1863 -16.1851 -7.2531 -7.2524 -5.2608 -5.2487 -4.2048 -4.1910 -3.7863 -3.7792 -1.3822 -1.3781 -1.1311 -1.1189 -0.6219 -0.6106 -0.0357 -0.0323 0.5343 0.5405 1.2984 1.3059 1.7219 1.7302 1.7852 1.7955 9.3781 9.3808 10.1796 10.1894 10.3380 10.3392 11.0071 11.0189 k =-0.1911 0.2079 0.7388 ( 5758 PWs) bands (ev): -94.6158 -94.6158 -19.9774 -19.9774 -16.6854 -16.6772 -16.2894 -16.2799 -16.1880 -16.1868 -7.2391 -7.2384 -5.2433 -5.2306 -4.2038 -4.1894 -3.7976 -3.7902 -1.3848 -1.3805 -1.1355 -1.1229 -0.6302 -0.6190 -0.0332 -0.0293 0.5249 0.5312 1.2677 1.2752 1.7266 1.7353 1.7865 1.7969 9.3903 9.3932 10.1639 10.1736 10.3348 10.3360 11.0122 11.0242 k =-0.2012 0.2189 0.7388 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -19.9770 -19.9769 -16.6891 -16.6808 -16.2870 -16.2775 -16.1898 -16.1886 -7.2249 -7.2242 -5.2254 -5.2122 -4.2024 -4.1874 -3.8092 -3.8016 -1.3866 -1.3820 -1.1390 -1.1261 -0.6381 -0.6271 -0.0325 -0.0280 0.5137 0.5200 1.2369 1.2444 1.7314 1.7404 1.7883 1.7987 9.4029 9.4059 10.1485 10.1581 10.3316 10.3328 11.0168 11.0290 k =-0.2112 0.2298 0.7388 ( 5748 PWs) bands (ev): -94.6158 -94.6158 -19.9765 -19.9765 -16.6928 -16.6846 -16.2846 -16.2750 -16.1916 -16.1904 -7.2105 -7.2098 -5.2073 -5.1935 -4.2007 -4.1851 -3.8210 -3.8132 -1.3875 -1.3826 -1.1417 -1.1283 -0.6458 -0.6349 -0.0335 -0.0284 0.5005 0.5067 1.2060 1.2135 1.7365 1.7458 1.7906 1.8010 9.4158 9.4189 10.1337 10.1432 10.3283 10.3296 11.0208 11.0331 k =-0.2112 0.2298 0.7388 ( 5748 PWs) bands (ev): -94.6158 -94.6158 -19.9765 -19.9765 -16.6928 -16.6846 -16.2846 -16.2750 -16.1916 -16.1904 -7.2105 -7.2098 -5.2073 -5.1935 -4.2007 -4.1851 -3.8210 -3.8132 -1.3875 -1.3826 -1.1417 -1.1283 -0.6458 -0.6349 -0.0335 -0.0284 0.5005 0.5067 1.2060 1.2135 1.7365 1.7458 1.7906 1.8010 9.4158 9.4189 10.1337 10.1432 10.3283 10.3296 11.0208 11.0331 k =-0.2181 0.2373 0.7287 ( 5749 PWs) bands (ev): -94.6158 -94.6158 -19.9763 -19.9763 -16.6950 -16.6868 -16.2846 -16.2750 -16.1913 -16.1899 -7.2012 -7.2004 -5.1954 -5.1811 -4.1909 -4.1749 -3.8392 -3.8320 -1.3882 -1.3843 -1.1351 -1.1223 -0.6433 -0.6331 -0.0463 -0.0407 0.4879 0.4940 1.1892 1.1968 1.7381 1.7478 1.7928 1.8031 9.4253 9.4285 10.1230 10.1334 10.3194 10.3213 11.0306 11.0439 k =-0.2250 0.2448 0.7185 ( 5751 PWs) bands (ev): -94.6158 -94.6158 -19.9762 -19.9762 -16.6970 -16.6888 -16.2844 -16.2748 -16.1909 -16.1894 -7.1927 -7.1920 -5.1828 -5.1680 -4.1808 -4.1644 -3.8584 -3.8519 -1.3897 -1.3868 -1.1263 -1.1141 -0.6396 -0.6301 -0.0601 -0.0540 0.4751 0.4810 1.1724 1.1800 1.7394 1.7494 1.7953 1.8052 9.4348 9.4380 10.1104 10.1214 10.3124 10.3155 11.0405 11.0546 k =-0.2319 0.2522 0.7083 ( 5747 PWs) bands (ev): -94.6158 -94.6158 -19.9763 -19.9763 -16.6989 -16.6907 -16.2841 -16.2746 -16.1905 -16.1889 -7.1852 -7.1844 -5.1696 -5.1545 -4.1703 -4.1537 -3.8785 -3.8728 -1.3918 -1.3899 -1.1157 -1.1040 -0.6347 -0.6260 -0.0749 -0.0681 0.4621 0.4678 1.1555 1.1631 1.7405 1.7506 1.7977 1.8074 9.4442 9.4475 10.0961 10.1074 10.3074 10.3120 11.0502 11.0652 k =-0.2387 0.2597 0.6982 ( 5741 PWs) bands (ev): -94.6158 -94.6158 -19.9765 -19.9765 -16.7005 -16.6924 -16.2836 -16.2741 -16.1901 -16.1883 -7.1784 -7.1777 -5.1558 -5.1404 -4.1597 -4.1428 -3.8994 -3.8945 -1.3946 -1.3933 -1.1036 -1.0924 -0.6286 -0.6208 -0.0906 -0.0831 0.4493 0.4546 1.1386 1.1463 1.7415 1.7516 1.8001 1.8094 9.4535 9.4569 10.0802 10.0918 10.3043 10.3103 11.0596 11.0754 k =-0.2456 0.2672 0.6880 ( 5747 PWs) bands (ev): -94.6158 -94.6158 -19.9768 -19.9768 -16.7021 -16.6940 -16.2830 -16.2736 -16.1896 -16.1877 -7.1725 -7.1718 -5.1416 -5.1259 -4.1489 -4.1317 -3.9208 -3.9169 -1.3979 -1.3970 -1.0904 -1.0796 -0.6215 -0.6146 -0.1072 -0.0988 0.4368 0.4416 1.1219 1.1296 1.7424 1.7525 1.8023 1.8112 9.4627 9.4663 10.0633 10.0750 10.3029 10.3103 11.0686 11.0852 k =-0.2525 0.2747 0.6779 ( 5747 PWs) bands (ev): -94.6158 -94.6158 -19.9773 -19.9772 -16.7034 -16.6955 -16.2822 -16.2729 -16.1892 -16.1871 -7.1674 -7.1666 -5.1270 -5.1111 -4.1382 -4.1208 -3.9425 -3.9395 -1.4018 -1.4005 -1.0762 -1.0659 -0.6133 -0.6074 -0.1245 -0.1153 0.4247 0.4290 1.1053 1.1131 1.7433 1.7534 1.8043 1.8127 9.4719 9.4755 10.0457 10.0573 10.3029 10.3116 11.0770 11.0944 k =-0.2594 0.2822 0.6677 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -19.9777 -19.9777 -16.7047 -16.6968 -16.2812 -16.2721 -16.1888 -16.1866 -7.1630 -7.1622 -5.1121 -5.0960 -4.1278 -4.1102 -3.9643 -3.9619 -1.4059 -1.4041 -1.0616 -1.0516 -0.6042 -0.5995 -0.1425 -0.1324 0.4131 0.4170 1.0890 1.0968 1.7442 1.7543 1.8060 1.8139 9.4809 9.4847 10.0275 10.0392 10.3041 10.3140 11.0849 11.1029 k =-0.2662 0.2896 0.6576 ( 5757 PWs) bands (ev): -94.6158 -94.6158 -19.9783 -19.9782 -16.7059 -16.6981 -16.2802 -16.2712 -16.1884 -16.1861 -7.1592 -7.1584 -5.0969 -5.0807 -4.1182 -4.1007 -3.9861 -3.9828 -1.4101 -1.4077 -1.0468 -1.0371 -0.5943 -0.5908 -0.1609 -0.1499 0.4023 0.4057 1.0730 1.0809 1.7452 1.7552 1.8073 1.8147 9.4899 9.4937 10.0093 10.0208 10.3063 10.3172 11.0919 11.1106 k =-0.2731 0.2971 0.6474 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -19.9788 -19.9788 -16.7069 -16.6992 -16.2790 -16.2701 -16.1881 -16.1857 -7.1560 -7.1553 -5.0816 -5.0653 -4.1105 -4.0932 -4.0068 -4.0008 -1.4142 -1.4113 -1.0322 -1.0228 -0.5838 -0.5815 -0.1796 -0.1675 0.3923 0.3952 1.0575 1.0653 1.7464 1.7562 1.8083 1.8153 9.4987 9.5026 9.9911 10.0026 10.3094 10.3212 11.0982 11.1174 k =-0.2800 0.3046 0.6372 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9794 -19.9794 -16.7079 -16.7003 -16.2777 -16.2689 -16.1879 -16.1853 -7.1534 -7.1526 -5.0664 -5.0500 -4.1069 -4.0906 -4.0236 -4.0137 -1.4182 -1.4147 -1.0180 -1.0089 -0.5730 -0.5718 -0.1982 -0.1850 0.3832 0.3857 1.0423 1.0502 1.7476 1.7573 1.8090 1.8154 9.5073 9.5114 9.9731 9.9846 10.3131 10.3258 11.1035 11.1232 k =-0.2869 0.3121 0.6271 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9800 -19.9800 -16.7088 -16.7013 -16.2763 -16.2677 -16.1878 -16.1850 -7.1513 -7.1505 -5.0512 -5.0348 -4.1105 -4.0964 -4.0326 -4.0186 -1.4220 -1.4180 -1.0048 -0.9958 -0.5626 -0.5614 -0.2161 -0.2020 0.3750 0.3773 1.0278 1.0357 1.7489 1.7585 1.8094 1.8153 9.5158 9.5199 9.9557 9.9671 10.3174 10.3309 11.1078 11.1280 k =-0.2938 0.3196 0.6169 ( 5769 PWs) bands (ev): -94.6158 -94.6158 -19.9806 -19.9806 -16.7096 -16.7022 -16.2748 -16.2663 -16.1879 -16.1849 -7.1495 -7.1487 -5.0364 -5.0200 -4.1218 -4.1110 -4.0320 -4.0157 -1.4255 -1.4210 -0.9926 -0.9839 -0.5531 -0.5507 -0.2329 -0.2178 0.3678 0.3699 1.0138 1.0217 1.7504 1.7599 1.8094 1.8149 9.5241 9.5283 9.9389 9.9503 10.3221 10.3363 11.1111 11.1318 k =-0.3006 0.3270 0.6068 ( 5769 PWs) bands (ev): -94.6158 -94.6158 -19.9812 -19.9812 -16.7104 -16.7030 -16.2732 -16.2649 -16.1880 -16.1849 -7.1481 -7.1474 -5.0220 -5.0057 -4.1382 -4.1304 -4.0254 -4.0081 -1.4287 -1.4238 -0.9819 -0.9733 -0.5445 -0.5409 -0.2477 -0.2318 0.3615 0.3637 1.0006 1.0084 1.7520 1.7613 1.8092 1.8142 9.5320 9.5363 9.9230 9.9343 10.3272 10.3419 11.1134 11.1344 k =-0.3075 0.3345 0.5966 ( 5773 PWs) bands (ev): -94.6158 -94.6158 -19.9817 -19.9817 -16.7110 -16.7038 -16.2715 -16.2634 -16.1884 -16.1851 -7.1471 -7.1463 -5.0082 -4.9920 -4.1569 -4.1516 -4.0159 -3.9982 -1.4315 -1.4263 -0.9728 -0.9644 -0.5375 -0.5329 -0.2595 -0.2431 0.3561 0.3585 0.9881 0.9960 1.7537 1.7628 1.8088 1.8133 9.5396 9.5440 9.9080 9.9193 10.3325 10.3478 11.1146 11.1359 k =-0.3144 0.3420 0.5864 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -19.9822 -19.9822 -16.7116 -16.7045 -16.2698 -16.2618 -16.1889 -16.1854 -7.1463 -7.1455 -4.9954 -4.9793 -4.1762 -4.1729 -4.0051 -3.9871 -1.4340 -1.4284 -0.9656 -0.9573 -0.5329 -0.5276 -0.2672 -0.2509 0.3517 0.3544 0.9765 0.9844 1.7555 1.7644 1.8082 1.8123 9.5468 9.5513 9.8943 9.9055 10.3380 10.3537 11.1147 11.1363 k =-0.3212 0.3495 0.5763 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.7122 -16.7051 -16.2679 -16.2601 -16.1896 -16.1860 -7.1457 -7.1448 -4.9836 -4.9676 -4.1954 -4.1937 -3.9936 -3.9756 -1.4360 -1.4301 -0.9603 -0.9522 -0.5314 -0.5261 -0.2698 -0.2541 0.3482 0.3511 0.9660 0.9737 1.7574 1.7661 1.8074 1.8111 9.5534 9.5580 9.8819 9.8930 10.3435 10.3596 11.1138 11.1355 k =-0.3281 0.3570 0.5661 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9830 -19.9830 -16.7127 -16.7056 -16.2660 -16.2583 -16.1905 -16.1867 -7.1452 -7.1444 -4.9731 -4.9572 -4.2143 -4.2129 -3.9819 -3.9638 -1.4377 -1.4314 -0.9570 -0.9492 -0.5336 -0.5288 -0.2667 -0.2523 0.3455 0.3487 0.9565 0.9642 1.7594 1.7679 1.8065 1.8098 9.5593 9.5639 9.8711 9.8821 10.3491 10.3655 11.1118 11.1337 k =-0.3350 0.3644 0.5560 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -19.9833 -19.9832 -16.7131 -16.7061 -16.2641 -16.2565 -16.1916 -16.1877 -7.1449 -7.1441 -4.9641 -4.9484 -4.2327 -4.2300 -3.9701 -3.9520 -1.4389 -1.4323 -0.9559 -0.9484 -0.5393 -0.5355 -0.2580 -0.2454 0.3436 0.3470 0.9482 0.9558 1.7614 1.7697 1.8054 1.8085 9.5644 9.5690 9.8621 9.8730 10.3546 10.3712 11.1089 11.1309 k =-0.3419 0.3719 0.5458 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9835 -19.9835 -16.7134 -16.7065 -16.2621 -16.2547 -16.1930 -16.1889 -7.1447 -7.1439 -4.9570 -4.9413 -4.2496 -4.2454 -3.9583 -3.9404 -1.4396 -1.4328 -0.9568 -0.9497 -0.5483 -0.5455 -0.2443 -0.2338 0.3423 0.3460 0.9411 0.9487 1.7635 1.7715 1.8043 1.8072 9.5684 9.5730 9.8552 9.8659 10.3598 10.3767 11.1050 11.1271 k =-0.3488 0.3794 0.5356 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9836 -19.9836 -16.7137 -16.7068 -16.2601 -16.2527 -16.1946 -16.1903 -7.1446 -7.1438 -4.9518 -4.9362 -4.2647 -4.2588 -3.9468 -3.9289 -1.4399 -1.4328 -0.9596 -0.9531 -0.5598 -0.5578 -0.2269 -0.2183 0.3416 0.3455 0.9355 0.9429 1.7655 1.7732 1.8031 1.8059 9.5712 9.5757 9.8505 9.8610 10.3649 10.3819 11.1003 11.1223 k =-0.3556 0.3869 0.5255 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9837 -19.9836 -16.7139 -16.7070 -16.2580 -16.2508 -16.1964 -16.1920 -7.1446 -7.1437 -4.9489 -4.9332 -4.2777 -4.2702 -3.9355 -3.9177 -1.4397 -1.4324 -0.9645 -0.9586 -0.5732 -0.5714 -0.2065 -0.1998 0.3415 0.3456 0.9313 0.9386 1.7676 1.7749 1.8018 1.8047 9.5726 9.5770 9.8483 9.8584 10.3696 10.3867 11.0948 11.1168 k =-0.3556 0.3869 0.5255 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9837 -19.9836 -16.7139 -16.7070 -16.2580 -16.2508 -16.1964 -16.1920 -7.1446 -7.1437 -4.9489 -4.9332 -4.2777 -4.2702 -3.9355 -3.9177 -1.4397 -1.4324 -0.9645 -0.9586 -0.5732 -0.5714 -0.2065 -0.1998 0.3415 0.3456 0.9313 0.9386 1.7676 1.7749 1.8018 1.8047 9.5726 9.5770 9.8483 9.8584 10.3696 10.3867 11.0948 11.1168 k =-0.3485 0.3791 0.5150 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9862 -19.9861 -16.7078 -16.7007 -16.2593 -16.2519 -16.1940 -16.1893 -7.1662 -7.1653 -4.9485 -4.9327 -4.2983 -4.2904 -3.9305 -3.9125 -1.4520 -1.4446 -0.9655 -0.9599 -0.5485 -0.5469 -0.1882 -0.1814 0.3724 0.3765 0.9490 0.9566 1.7544 1.7618 1.7936 1.7965 9.5602 9.5647 9.8341 9.8447 10.3830 10.4008 11.1070 11.1299 k =-0.3414 0.3714 0.5045 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9890 -19.9889 -16.7012 -16.6939 -16.2604 -16.2527 -16.1915 -16.1866 -7.1891 -7.1882 -4.9477 -4.9318 -4.3191 -4.3111 -3.9260 -3.9077 -1.4619 -1.4544 -0.9650 -0.9596 -0.5230 -0.5215 -0.1702 -0.1633 0.3996 0.4038 0.9679 0.9757 1.7409 1.7482 1.7855 1.7883 9.5482 9.5527 9.8204 9.8315 10.3957 10.4142 11.1182 11.1420 k =-0.3343 0.3637 0.4940 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -19.9920 -19.9920 -16.6942 -16.6868 -16.2612 -16.2534 -16.1890 -16.1839 -7.2132 -7.2123 -4.9466 -4.9306 -4.3403 -4.3320 -3.9220 -3.9036 -1.4694 -1.4618 -0.9627 -0.9576 -0.4967 -0.4954 -0.1525 -0.1455 0.4230 0.4273 0.9877 0.9958 1.7273 1.7345 1.7775 1.7804 9.5363 9.5408 9.8075 9.8192 10.4076 10.4268 11.1280 11.1527 k =-0.3272 0.3559 0.4834 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9954 -19.9954 -16.6868 -16.6792 -16.2617 -16.2538 -16.1864 -16.1810 -7.2385 -7.2375 -4.9452 -4.9290 -4.3617 -4.3532 -3.9187 -3.9001 -1.4745 -1.4669 -0.9587 -0.9539 -0.4698 -0.4685 -0.1352 -0.1281 0.4426 0.4469 1.0085 1.0167 1.7135 1.7206 1.7697 1.7726 9.5245 9.5290 9.7956 9.8077 10.4187 10.4386 11.1364 11.1620 k =-0.3201 0.3482 0.4729 ( 5760 PWs) bands (ev): -94.6158 -94.6158 -19.9991 -19.9991 -16.6789 -16.6711 -16.2620 -16.2539 -16.1837 -16.1782 -7.2649 -7.2639 -4.9435 -4.9273 -4.3832 -4.3745 -3.9159 -3.8973 -1.4774 -1.4697 -0.9528 -0.9482 -0.4422 -0.4410 -0.1183 -0.1111 0.4583 0.4628 1.0298 1.0380 1.6999 1.7068 1.7623 1.7652 9.5126 9.5170 9.7847 9.7974 10.4289 10.4495 11.1431 11.1695 k =-0.3130 0.3404 0.4624 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -20.0031 -20.0030 -16.6706 -16.6626 -16.2620 -16.2538 -16.1811 -16.1753 -7.2923 -7.2914 -4.9416 -4.9254 -4.4049 -4.3959 -3.9139 -3.8952 -1.4782 -1.4704 -0.9450 -0.9405 -0.4142 -0.4129 -0.1019 -0.0945 0.4703 0.4750 1.0514 1.0596 1.6864 1.6931 1.7552 1.7581 9.5004 9.5049 9.7751 9.7884 10.4383 10.4595 11.1480 11.1752 k =-0.3058 0.3327 0.4519 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -20.0074 -20.0073 -16.6617 -16.6537 -16.2618 -16.2534 -16.1784 -16.1724 -7.3207 -7.3198 -4.9395 -4.9234 -4.4266 -4.4174 -3.9125 -3.8938 -1.4768 -1.4690 -0.9350 -0.9308 -0.3856 -0.3843 -0.0859 -0.0784 0.4788 0.4837 1.0729 1.0810 1.6733 1.6797 1.7486 1.7515 9.4879 9.4922 9.7670 9.7808 10.4466 10.4686 11.1509 11.1789 k =-0.2987 0.3250 0.4414 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -20.0120 -20.0120 -16.6524 -16.6443 -16.2613 -16.2528 -16.1756 -16.1695 -7.3500 -7.3491 -4.9373 -4.9212 -4.4482 -4.4389 -3.9119 -3.8931 -1.4736 -1.4658 -0.9230 -0.9190 -0.3568 -0.3554 -0.0706 -0.0627 0.4841 0.4892 1.0939 1.1018 1.6607 1.6668 1.7426 1.7455 9.4747 9.4790 9.7604 9.7747 10.4540 10.4766 11.1517 11.1804 k =-0.2916 0.3172 0.4309 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -20.0169 -20.0169 -16.6426 -16.6344 -16.2604 -16.2519 -16.1729 -16.1665 -7.3802 -7.3793 -4.9351 -4.9191 -4.4698 -4.4603 -3.9120 -3.8932 -1.4686 -1.4607 -0.9087 -0.9049 -0.3277 -0.3260 -0.0559 -0.0477 0.4864 0.4918 1.1139 1.1214 1.6488 1.6545 1.7371 1.7400 9.4608 9.4649 9.7555 9.7704 10.4604 10.4836 11.1502 11.1797 k =-0.2845 0.3095 0.4204 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -20.0222 -20.0221 -16.6323 -16.6240 -16.2594 -16.2507 -16.1701 -16.1636 -7.4110 -7.4102 -4.9328 -4.9169 -4.4912 -4.4815 -3.9129 -3.8941 -1.4620 -1.4541 -0.8921 -0.8885 -0.2984 -0.2965 -0.0418 -0.0332 0.4861 0.4918 1.1325 1.1395 1.6377 1.6431 1.7324 1.7352 9.4459 9.4499 9.7524 9.7679 10.4656 10.4895 11.1465 11.1767 k =-0.2774 0.3018 0.4099 ( 5760 PWs) bands (ev): -94.6158 -94.6158 -20.0277 -20.0277 -16.6215 -16.6132 -16.2580 -16.2493 -16.1674 -16.1606 -7.4425 -7.4417 -4.9306 -4.9148 -4.5123 -4.5026 -3.9145 -3.8958 -1.4539 -1.4460 -0.8732 -0.8697 -0.2692 -0.2669 -0.0284 -0.0193 0.4836 0.4896 1.1491 1.1556 1.6277 1.6327 1.7285 1.7312 9.4300 9.4339 9.7511 9.7672 10.4697 10.4942 11.1405 11.1713 k =-0.2703 0.2940 0.3994 ( 5758 PWs) bands (ev): -94.6158 -94.6158 -20.0336 -20.0335 -16.6102 -16.6018 -16.2564 -16.2476 -16.1646 -16.1577 -7.4746 -7.4738 -4.9283 -4.9127 -4.5333 -4.5233 -3.9169 -3.8983 -1.4445 -1.4366 -0.8519 -0.8486 -0.2402 -0.2374 -0.0158 -0.0060 0.4791 0.4855 1.1635 1.1693 1.6188 1.6234 1.7255 1.7281 9.4129 9.4166 9.7516 9.7684 10.4726 10.4977 11.1322 11.1636 k =-0.2632 0.2863 0.3889 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -20.0397 -20.0397 -16.5985 -16.5900 -16.2546 -16.2457 -16.1619 -16.1548 -7.5072 -7.5064 -4.9261 -4.9106 -4.5539 -4.5438 -3.9201 -3.9016 -1.4340 -1.4262 -0.8282 -0.8250 -0.2116 -0.2082 -0.0038 0.0066 0.4733 0.4799 1.1752 1.1803 1.6112 1.6154 1.7234 1.7258 9.3945 9.3981 9.7539 9.7714 10.4742 10.5000 11.1217 11.1536 k =-0.2560 0.2785 0.3784 ( 5760 PWs) bands (ev): -94.6158 -94.6158 -20.0461 -20.0461 -16.5862 -16.5778 -16.2525 -16.2436 -16.1592 -16.1519 -7.5401 -7.5393 -4.9240 -4.9087 -4.5741 -4.5639 -3.9242 -3.9057 -1.4226 -1.4148 -0.8021 -0.7990 -0.1837 -0.1796 0.0075 0.0189 0.4663 0.4733 1.1839 1.1882 1.6049 1.6087 1.7223 1.7244 9.3748 9.3782 9.7579 9.7761 10.4747 10.5010 11.1091 11.1414 k =-0.2489 0.2708 0.3678 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -20.0528 -20.0528 -16.5735 -16.5650 -16.2502 -16.2412 -16.1565 -16.1490 -7.5733 -7.5726 -4.9219 -4.9068 -4.5939 -4.5837 -3.9290 -3.9107 -1.4104 -1.4027 -0.7736 -0.7706 -0.1570 -0.1521 0.0185 0.0309 0.4587 0.4660 1.1896 1.1931 1.5999 1.6035 1.7221 1.7239 9.3537 9.3569 9.7634 9.7824 10.4738 10.5007 11.0944 11.1271 k =-0.2418 0.2631 0.3573 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -20.0597 -20.0597 -16.5603 -16.5519 -16.2476 -16.2387 -16.1538 -16.1462 -7.6068 -7.6060 -4.9199 -4.9051 -4.6132 -4.6029 -3.9346 -3.9165 -1.3975 -1.3899 -0.7427 -0.7398 -0.1322 -0.1263 0.0295 0.0430 0.4508 0.4585 1.1922 1.1948 1.5961 1.5996 1.7229 1.7243 9.3310 9.3342 9.7703 9.7902 10.4717 10.4991 11.0779 11.1109 k =-0.2347 0.2553 0.3468 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -20.0669 -20.0668 -16.5468 -16.5383 -16.2449 -16.2360 -16.1512 -16.1434 -7.6403 -7.6396 -4.9180 -4.9034 -4.6320 -4.6217 -3.9410 -3.9231 -1.3842 -1.3767 -0.7095 -0.7067 -0.1099 -0.1031 0.0413 0.0560 0.4431 0.4511 1.1916 1.1934 1.5936 1.5969 1.7245 1.7255 9.3069 9.3099 9.7785 9.7993 10.4683 10.4962 11.0599 11.0930 k =-0.2276 0.2476 0.3363 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -20.0742 -20.0742 -16.5328 -16.5244 -16.2420 -16.2331 -16.1487 -16.1407 -7.6739 -7.6733 -4.9162 -4.9019 -4.6503 -4.6399 -3.9483 -3.9305 -1.3704 -1.3630 -0.6741 -0.6714 -0.0912 -0.0837 0.0549 0.0704 0.4358 0.4441 1.1881 1.1893 1.5920 1.5952 1.7268 1.7276 9.2812 9.2841 9.7875 9.8094 10.4638 10.4921 11.0405 11.0737 k =-0.2205 0.2399 0.3258 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -20.0817 -20.0817 -16.5184 -16.5100 -16.2390 -16.2300 -16.1462 -16.1381 -7.7075 -7.7069 -4.9145 -4.9004 -4.6680 -4.6575 -3.9563 -3.9386 -1.3564 -1.3492 -0.6367 -0.6341 -0.0769 -0.0692 0.0713 0.0871 0.4293 0.4379 1.1818 1.1827 1.5914 1.5945 1.7295 1.7303 9.2539 9.2567 9.7973 9.8204 10.4581 10.4867 11.0200 11.0532 k =-0.2134 0.2321 0.3153 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -20.0894 -20.0894 -16.5037 -16.4954 -16.2358 -16.2269 -16.1437 -16.1355 -7.7409 -7.7403 -4.9128 -4.8990 -4.6850 -4.6746 -3.9650 -3.9476 -1.3422 -1.3351 -0.5974 -0.5949 -0.0674 -0.0601 0.0911 0.1066 0.4239 0.4327 1.1730 1.1739 1.5915 1.5945 1.7324 1.7335 9.2250 9.2276 9.8075 9.8318 10.4514 10.4804 10.9988 11.0318 k =-0.2063 0.2244 0.3048 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -20.0972 -20.0972 -16.4887 -16.4804 -16.2325 -16.2236 -16.1414 -16.1330 -7.7741 -7.7736 -4.9112 -4.8977 -4.7014 -4.6909 -3.9745 -3.9573 -1.3278 -1.3210 -0.5564 -0.5539 -0.0628 -0.0563 0.1139 0.1286 0.4197 0.4286 1.1619 1.1631 1.5923 1.5951 1.7355 1.7370 9.1944 9.1970 9.8178 9.8434 10.4440 10.4732 10.9772 11.0097 k =-0.1991 0.2166 0.2943 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -20.1051 -20.1051 -16.4735 -16.4652 -16.2291 -16.2202 -16.1391 -16.1306 -7.8071 -7.8065 -4.9096 -4.8964 -4.7170 -4.7066 -3.9847 -3.9678 -1.3135 -1.3068 -0.5139 -0.5115 -0.0625 -0.0569 0.1391 0.1529 0.4169 0.4258 1.1491 1.1506 1.5935 1.5962 1.7386 1.7404 9.1622 9.1647 9.8277 9.8547 10.4361 10.4654 10.9554 10.9874 k =-0.1920 0.2089 0.2838 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.1131 -20.1131 -16.4580 -16.4498 -16.2256 -16.2167 -16.1368 -16.1283 -7.8396 -7.8391 -4.9080 -4.8951 -4.7320 -4.7216 -3.9956 -3.9790 -1.2992 -1.2927 -0.4703 -0.4678 -0.0658 -0.0610 0.1659 0.1789 0.4153 0.4243 1.1347 1.1365 1.5952 1.5977 1.7415 1.7437 9.1284 9.1309 9.8370 9.8653 10.4280 10.4574 10.9337 10.9649 k =-0.1849 0.2012 0.2733 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -20.1211 -20.1211 -16.4424 -16.4342 -16.2220 -16.2132 -16.1347 -16.1260 -7.8718 -7.8713 -4.9065 -4.8939 -4.7461 -4.7358 -4.0072 -3.9908 -1.2849 -1.2787 -0.4257 -0.4233 -0.0717 -0.0677 0.1938 0.2060 0.4150 0.4240 1.1190 1.1211 1.5973 1.5996 1.7440 1.7466 9.0930 9.0954 9.8450 9.8748 10.4202 10.4496 10.9124 10.9427 k =-0.1778 0.1934 0.2627 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.1292 -20.1292 -16.4266 -16.4185 -16.2184 -16.2096 -16.1326 -16.1239 -7.9034 -7.9030 -4.9050 -4.8928 -4.7595 -4.7493 -4.0194 -4.0033 -1.2708 -1.2648 -0.3808 -0.3784 -0.0793 -0.0760 0.2223 0.2338 0.4159 0.4249 1.1023 1.1045 1.5997 1.6019 1.7461 1.7490 9.0561 9.0584 9.8514 9.8824 10.4132 10.4425 10.8916 10.9208 k =-0.1707 0.1857 0.2522 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.1372 -20.1372 -16.4108 -16.4027 -16.2147 -16.2060 -16.1307 -16.1218 -7.9344 -7.9340 -4.9034 -4.8916 -4.7721 -4.7620 -4.0322 -4.0164 -1.2569 -1.2511 -0.3362 -0.3338 -0.0877 -0.0849 0.2510 0.2620 0.4179 0.4268 1.0847 1.0870 1.6024 1.6044 1.7475 1.7507 9.0178 9.0200 9.8558 9.8878 10.4076 10.4367 10.8716 10.8996 k =-0.1636 0.1780 0.2417 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.1452 -20.1452 -16.3949 -16.3869 -16.2110 -16.2024 -16.1288 -16.1199 -7.9648 -7.9645 -4.9019 -4.8904 -4.7839 -4.7740 -4.0455 -4.0300 -1.2431 -1.2375 -0.2932 -0.2906 -0.0953 -0.0929 0.2797 0.2902 0.4208 0.4296 1.0663 1.0688 1.6053 1.6072 1.7483 1.7517 8.9782 8.9803 9.8576 9.8904 10.4038 10.4327 10.8524 10.8791 k =-0.1565 0.1702 0.2312 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -20.1531 -20.1531 -16.3791 -16.3712 -16.2074 -16.1987 -16.1271 -16.1181 -7.9945 -7.9942 -4.9004 -4.8893 -4.7949 -4.7851 -4.0592 -4.0441 -1.2297 -1.2243 -0.2541 -0.2516 -0.0994 -0.0974 0.3081 0.3184 0.4245 0.4333 1.0474 1.0499 1.6085 1.6102 1.7484 1.7519 8.9373 8.9394 9.8566 9.8898 10.4025 10.4308 10.8342 10.8593 k =-0.1494 0.1625 0.2207 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.1609 -20.1609 -16.3634 -16.3556 -16.2037 -16.1952 -16.1254 -16.1164 -8.0234 -8.0231 -4.8989 -4.8881 -4.8050 -4.7954 -4.0734 -4.0586 -1.2165 -1.2113 -0.2240 -0.2216 -0.0948 -0.0934 0.3361 0.3463 0.4289 0.4377 1.0279 1.0304 1.6118 1.6134 1.7477 1.7513 8.8955 8.8975 9.8527 9.8858 10.4040 10.4315 10.8169 10.8405 k =-0.1422 0.1547 0.2102 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -20.1686 -20.1686 -16.3479 -16.3401 -16.2000 -16.1916 -16.1238 -16.1148 -8.0514 -8.0511 -4.8973 -4.8870 -4.8143 -4.8050 -4.0879 -4.0735 -1.2036 -1.1987 -0.2086 -0.2066 -0.0756 -0.0750 0.3635 0.3737 0.4339 0.4429 1.0081 1.0106 1.6153 1.6167 1.7463 1.7500 8.8529 8.8548 9.8458 9.8784 10.4083 10.4348 10.8005 10.8225 k =-0.1351 0.1470 0.1997 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -20.1761 -20.1761 -16.3326 -16.3248 -16.1964 -16.1881 -16.1224 -16.1134 -8.0785 -8.0782 -4.8958 -4.8858 -4.8227 -4.8137 -4.1026 -4.0886 -1.1911 -1.1864 -0.2071 -0.2054 -0.0433 -0.0427 0.3899 0.4005 0.4395 0.4489 0.9881 0.9905 1.6189 1.6203 1.7442 1.7478 8.8097 8.8115 9.8362 9.8678 10.4155 10.4408 10.7850 10.8055 k =-0.1280 0.1393 0.1892 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.1834 -20.1834 -16.3176 -16.3098 -16.1928 -16.1847 -16.1211 -16.1121 -8.1046 -8.1044 -4.8943 -4.8846 -4.8303 -4.8216 -4.1175 -4.1040 -1.1790 -1.1745 -0.2133 -0.2119 -0.0039 -0.0029 0.4150 0.4264 0.4457 0.4560 0.9678 0.9702 1.6226 1.6239 1.7413 1.7450 8.7662 8.7679 9.8240 9.8543 10.4254 10.4492 10.7705 10.7894 k =-0.1209 0.1315 0.1787 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.1905 -20.1905 -16.3029 -16.2952 -16.1893 -16.1814 -16.1199 -16.1109 -8.1297 -8.1295 -4.8928 -4.8835 -4.8371 -4.8287 -4.1326 -4.1194 -1.1673 -1.1631 -0.2230 -0.2216 0.0386 0.0399 0.4371 0.4477 0.4562 0.4656 0.9475 0.9498 1.6264 1.6275 1.7378 1.7414 8.7226 8.7242 9.8098 9.8385 10.4374 10.4597 10.7569 10.7743 k =-0.1138 0.1238 0.1682 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -20.1974 -20.1974 -16.2886 -16.2810 -16.1859 -16.1782 -16.1188 -16.1099 -8.1537 -8.1535 -4.8913 -4.8824 -4.8430 -4.8351 -4.1476 -4.1349 -1.1561 -1.1521 -0.2340 -0.2328 0.0821 0.0835 0.4535 0.4566 0.4784 0.4804 0.9271 0.9294 1.6302 1.6312 1.7337 1.7373 8.6793 8.6808 9.7940 9.8209 10.4513 10.4721 10.7441 10.7600 k =-0.1067 0.1161 0.1576 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -20.2040 -20.2040 -16.2748 -16.2672 -16.1825 -16.1750 -16.1178 -16.1090 -8.1765 -8.1764 -4.8899 -4.8813 -4.8481 -4.8407 -4.1625 -4.1504 -1.1454 -1.1416 -0.2454 -0.2443 0.1253 0.1269 0.4636 0.4643 0.5001 0.5019 0.9068 0.9089 1.6339 1.6349 1.7291 1.7326 8.6366 8.6379 9.7771 9.8021 10.4666 10.4857 10.7321 10.7466 k =-0.0996 0.1083 0.1471 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -20.2102 -20.2102 -16.2614 -16.2539 -16.1793 -16.1721 -16.1170 -16.1083 -8.1982 -8.1980 -4.8885 -4.8803 -4.8524 -4.8456 -4.1772 -4.1656 -1.1352 -1.1317 -0.2567 -0.2557 0.1679 0.1696 0.4706 0.4727 0.5213 0.5246 0.8866 0.8886 1.6377 1.6386 1.7242 1.7275 8.5947 8.5959 9.7595 9.7826 10.4827 10.5003 10.7210 10.7341 k =-0.0925 0.1006 0.1366 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.2162 -20.2162 -16.2487 -16.2412 -16.1762 -16.1693 -16.1163 -16.1077 -8.2185 -8.2184 -4.8872 -4.8794 -4.8559 -4.8497 -4.1916 -4.1806 -1.1256 -1.1223 -0.2676 -0.2666 0.2092 0.2110 0.4777 0.4804 0.5423 0.5462 0.8666 0.8685 1.6413 1.6421 1.7189 1.7221 8.5540 8.5551 9.7417 9.7628 10.4993 10.5155 10.7108 10.7225 k =-0.0853 0.0928 0.1261 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.2218 -20.2218 -16.2366 -16.2291 -16.1732 -16.1666 -16.1157 -16.1073 -8.2376 -8.2375 -4.8860 -4.8786 -4.8587 -4.8532 -4.2055 -4.1951 -1.1165 -1.1135 -0.2779 -0.2770 0.2491 0.2509 0.4849 0.4877 0.5625 0.5666 0.8468 0.8485 1.6448 1.6456 1.7135 1.7165 8.5148 8.5158 9.7240 9.7433 10.5160 10.5308 10.7013 10.7118 k =-0.0782 0.0851 0.1156 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -20.2270 -20.2270 -16.2251 -16.2177 -16.1703 -16.1641 -16.1153 -16.1071 -8.2553 -8.2552 -4.8850 -4.8779 -4.8607 -4.8561 -4.2189 -4.2092 -1.1081 -1.1054 -0.2876 -0.2867 0.2873 0.2891 0.4922 0.4950 0.5816 0.5857 0.8272 0.8288 1.6482 1.6489 1.7080 1.7108 8.4774 8.4783 9.7068 9.7242 10.5324 10.5459 10.6927 10.7019 k =-0.0711 0.0774 0.1051 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -20.2319 -20.2319 -16.2144 -16.2070 -16.1676 -16.1618 -16.1149 -16.1070 -8.2717 -8.2716 -4.8840 -4.8773 -4.8621 -4.8584 -4.2317 -4.2226 -1.1004 -1.0978 -0.2964 -0.2956 0.3235 0.3254 0.4994 0.5021 0.5995 0.6035 0.8080 0.8094 1.6513 1.6520 1.7025 1.7051 8.4420 8.4429 9.6903 9.7059 10.5481 10.5604 10.6850 10.6930 k =-0.0640 0.0696 0.0946 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.2363 -20.2363 -16.2045 -16.1971 -16.1650 -16.1597 -16.1147 -16.1071 -8.2866 -8.2865 -4.8832 -4.8769 -4.8630 -4.8601 -4.2436 -4.2352 -1.0933 -1.0910 -0.3044 -0.3037 0.3577 0.3596 0.5067 0.5092 0.6160 0.6198 0.7891 0.7904 1.6543 1.6548 1.6971 1.6995 8.4091 8.4099 9.6749 9.6887 10.5630 10.5741 10.6782 10.6850 k =-0.0569 0.0619 0.0841 ( 5785 PWs) bands (ev): -94.6158 -94.6158 -20.2403 -20.2403 -16.1954 -16.1881 -16.1625 -16.1578 -16.1147 -16.1074 -8.3000 -8.2999 -4.8825 -4.8766 -4.8634 -4.8613 -4.2546 -4.2470 -1.0869 -1.0848 -0.3116 -0.3110 0.3897 0.3915 0.5137 0.5160 0.6310 0.6346 0.7706 0.7718 1.6570 1.6574 1.6921 1.6942 8.3789 8.3795 9.6606 9.6728 10.5767 10.5867 10.6725 10.6781 k =-0.0498 0.0542 0.0736 ( 5785 PWs) bands (ev): -94.6158 -94.6158 -20.2439 -20.2439 -16.1871 -16.1799 -16.1602 -16.1560 -16.1147 -16.1078 -8.3119 -8.3119 -4.8819 -4.8765 -4.8636 -4.8621 -4.2646 -4.2578 -1.0812 -1.0794 -0.3179 -0.3174 0.4195 0.4212 0.5206 0.5226 0.6445 0.6478 0.7525 0.7537 1.6593 1.6596 1.6874 1.6894 8.3516 8.3521 9.6478 9.6583 10.5888 10.5978 10.6678 10.6723 k =-0.0427 0.0464 0.0631 ( 5773 PWs) bands (ev): -94.6158 -94.6158 -20.2471 -20.2471 -16.1798 -16.1728 -16.1580 -16.1545 -16.1148 -16.1084 -8.3223 -8.3223 -4.8812 -4.8764 -4.8635 -4.8626 -4.2734 -4.2676 -1.0762 -1.0747 -0.3234 -0.3229 0.4468 0.4484 0.5272 0.5288 0.6564 0.6593 0.7351 0.7361 1.6613 1.6615 1.6833 1.6850 8.3274 8.3279 9.6365 9.6454 10.5992 10.6071 10.6644 10.6678 k =-0.0356 0.0387 0.0525 ( 5781 PWs) bands (ev): -94.6158 -94.6158 -20.2497 -20.2497 -16.1734 -16.1669 -16.1558 -16.1530 -16.1150 -16.1092 -8.3312 -8.3312 -4.8806 -4.8765 -4.8634 -4.8628 -4.2811 -4.2761 -1.0719 -1.0707 -0.3280 -0.3276 0.4716 0.4730 0.5334 0.5347 0.6665 0.6691 0.7183 0.7194 1.6629 1.6630 1.6799 1.6813 8.3066 8.3070 9.6268 9.6342 10.6076 10.6143 10.6623 10.6646 k =-0.0284 0.0309 0.0420 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.2519 -20.2519 -16.1681 -16.1623 -16.1536 -16.1516 -16.1151 -16.1101 -8.3385 -8.3384 -4.8800 -4.8766 -4.8632 -4.8628 -4.2873 -4.2833 -1.0684 -1.0674 -0.3317 -0.3314 0.4934 0.4946 0.5393 0.5401 0.6748 0.6771 0.7024 0.7037 1.6638 1.6640 1.6772 1.6784 8.2893 8.2896 9.6189 9.6248 10.6139 10.6193 10.6615 10.6630 k =-0.0213 0.0232 0.0315 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.2536 -20.2536 -16.1640 -16.1594 -16.1514 -16.1503 -16.1152 -16.1112 -8.3441 -8.3441 -4.8795 -4.8768 -4.8630 -4.8628 -4.2922 -4.2891 -1.0657 -1.0649 -0.3346 -0.3343 0.5116 0.5126 0.5450 0.5453 0.6800 0.6826 0.6885 0.6908 1.6642 1.6644 1.6755 1.6764 8.2757 8.2760 9.6129 9.6172 10.6181 10.6222 10.6618 10.6625 k =-0.0142 0.0155 0.0210 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.2549 -20.2549 -16.1609 -16.1578 -16.1494 -16.1490 -16.1151 -16.1122 -8.3482 -8.3482 -4.8789 -4.8771 -4.8628 -4.8627 -4.2955 -4.2934 -1.0636 -1.0631 -0.3366 -0.3364 0.5250 0.5257 0.5506 0.5508 0.6745 0.6752 0.6878 0.6890 1.6641 1.6644 1.6746 1.6752 8.2660 8.2661 9.6087 9.6116 10.6208 10.6235 10.6626 10.6629 k =-0.0071 0.0077 0.0105 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2556 -20.2556 -16.1588 -16.1573 -16.1481 -16.1480 -16.1148 -16.1133 -8.3506 -8.3506 -4.8784 -4.8775 -4.8627 -4.8627 -4.2973 -4.2963 -1.0624 -1.0621 -0.3378 -0.3377 0.5325 0.5330 0.5557 0.5560 0.6665 0.6667 0.6905 0.6911 1.6640 1.6641 1.6743 1.6746 8.2601 8.2601 9.6065 9.6079 10.6224 10.6238 10.6634 10.6634 k = 0.0000 0.0000 0.0000 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2559 -20.2559 -16.1577 -16.1577 -16.1477 -16.1477 -16.1141 -16.1141 -8.3515 -8.3515 -4.8779 -4.8779 -4.8627 -4.8627 -4.2976 -4.2976 -1.0619 -1.0619 -0.3382 -0.3382 0.5350 0.5350 0.5581 0.5581 0.6635 0.6635 0.6917 0.6917 1.6640 1.6640 1.6744 1.6744 8.2581 8.2581 9.6062 9.6062 10.6234 10.6234 10.6637 10.6637 k = 0.0000 0.0000 0.0000 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2559 -20.2559 -16.1577 -16.1577 -16.1477 -16.1477 -16.1141 -16.1141 -8.3515 -8.3515 -4.8779 -4.8779 -4.8627 -4.8627 -4.2976 -4.2976 -1.0619 -1.0619 -0.3382 -0.3382 0.5350 0.5350 0.5581 0.5581 0.6635 0.6635 0.6917 0.6917 1.6640 1.6640 1.6744 1.6744 8.2581 8.2581 9.6062 9.6062 10.6234 10.6234 10.6637 10.6637 k = 0.0109 0.0100 0.0000 ( 5751 PWs) bands (ev): -94.6158 -94.6158 -20.2556 -20.2556 -16.1578 -16.1578 -16.1477 -16.1477 -16.1149 -16.1149 -8.3501 -8.3501 -4.8771 -4.8771 -4.8619 -4.8619 -4.2980 -4.2980 -1.0616 -1.0616 -0.3389 -0.3389 0.5340 0.5340 0.5571 0.5571 0.6596 0.6596 0.6939 0.6939 1.6641 1.6641 1.6745 1.6745 8.2605 8.2605 9.6077 9.6077 10.6226 10.6226 10.6629 10.6629 k = 0.0217 0.0200 0.0000 ( 5751 PWs) bands (ev): -94.6158 -94.6158 -20.2547 -20.2547 -16.1581 -16.1581 -16.1480 -16.1480 -16.1171 -16.1171 -8.3461 -8.3461 -4.8747 -4.8747 -4.8595 -4.8595 -4.2991 -4.2991 -1.0609 -1.0609 -0.3412 -0.3412 0.5308 0.5308 0.5540 0.5540 0.6500 0.6500 0.6986 0.6986 1.6646 1.6646 1.6751 1.6751 8.2675 8.2675 9.6120 9.6120 10.6203 10.6203 10.6605 10.6605 k = 0.0326 0.0300 0.0000 ( 5763 PWs) bands (ev): -94.6158 -94.6158 -20.2532 -20.2532 -16.1586 -16.1586 -16.1484 -16.1484 -16.1208 -16.1208 -8.3395 -8.3395 -4.8708 -4.8708 -4.8555 -4.8555 -4.3009 -4.3009 -1.0597 -1.0597 -0.3449 -0.3449 0.5256 0.5256 0.5488 0.5488 0.6368 0.6368 0.7037 0.7037 1.6655 1.6655 1.6760 1.6760 8.2792 8.2792 9.6193 9.6193 10.6165 10.6165 10.6566 10.6566 k = 0.0435 0.0400 0.0000 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2512 -20.2512 -16.1593 -16.1593 -16.1490 -16.1490 -16.1259 -16.1259 -8.3302 -8.3302 -4.8653 -4.8653 -4.8500 -4.8500 -4.3035 -4.3035 -1.0580 -1.0580 -0.3500 -0.3500 0.5182 0.5182 0.5416 0.5416 0.6205 0.6205 0.7087 0.7087 1.6666 1.6666 1.6773 1.6773 8.2954 8.2954 9.6294 9.6294 10.6112 10.6112 10.6512 10.6512 k = 0.0543 0.0500 0.0000 ( 5779 PWs) bands (ev): -94.6158 -94.6158 -20.2485 -20.2485 -16.1604 -16.1604 -16.1497 -16.1497 -16.1324 -16.1324 -8.3183 -8.3183 -4.8582 -4.8582 -4.8429 -4.8429 -4.3069 -4.3069 -1.0559 -1.0559 -0.3566 -0.3566 0.5088 0.5088 0.5323 0.5323 0.6013 0.6013 0.7135 0.7135 1.6682 1.6682 1.6790 1.6790 8.3161 8.3161 9.6424 9.6424 10.6045 10.6045 10.6443 10.6443 k = 0.0652 0.0600 0.0000 ( 5779 PWs) bands (ev): -94.6158 -94.6158 -20.2454 -20.2454 -16.1618 -16.1618 -16.1506 -16.1506 -16.1400 -16.1400 -8.3039 -8.3039 -4.8496 -4.8496 -4.8343 -4.8343 -4.3110 -4.3110 -1.0532 -1.0532 -0.3646 -0.3646 0.4973 0.4973 0.5209 0.5209 0.5794 0.5794 0.7180 0.7180 1.6701 1.6701 1.6811 1.6811 8.3411 8.3411 9.6581 9.6581 10.5964 10.5964 10.6359 10.6359 k = 0.0761 0.0699 0.0000 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2416 -20.2416 -16.1642 -16.1642 -16.1517 -16.1517 -16.1483 -16.1483 -8.2870 -8.2870 -4.8396 -4.8396 -4.8242 -4.8242 -4.3158 -4.3158 -1.0501 -1.0501 -0.3739 -0.3739 0.4836 0.4836 0.5075 0.5075 0.5549 0.5549 0.7224 0.7224 1.6724 1.6724 1.6836 1.6836 8.3702 8.3702 9.6765 9.6765 10.5870 10.5870 10.6262 10.6262 k = 0.0870 0.0799 0.0000 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -20.2373 -20.2373 -16.1689 -16.1689 -16.1557 -16.1557 -16.1529 -16.1529 -8.2676 -8.2676 -4.8280 -4.8280 -4.8126 -4.8126 -4.3215 -4.3215 -1.0464 -1.0464 -0.3845 -0.3845 0.4678 0.4678 0.4922 0.4922 0.5277 0.5277 0.7268 0.7268 1.6751 1.6751 1.6865 1.6865 8.4033 8.4033 9.6975 9.6975 10.5763 10.5763 10.6152 10.6152 k = 0.0978 0.0899 0.0000 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.2325 -20.2325 -16.1779 -16.1779 -16.1603 -16.1603 -16.1542 -16.1542 -8.2458 -8.2458 -4.8150 -4.8150 -4.7995 -4.7995 -4.3279 -4.3279 -1.0422 -1.0422 -0.3964 -0.3964 0.4497 0.4497 0.4748 0.4748 0.4982 0.4982 0.7311 0.7311 1.6783 1.6783 1.6898 1.6898 8.4400 8.4400 9.7210 9.7210 10.5644 10.5644 10.6029 10.6029 k = 0.1087 0.0999 0.0000 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.2271 -20.2271 -16.1901 -16.1901 -16.1630 -16.1630 -16.1557 -16.1557 -8.2217 -8.2217 -4.8005 -4.8005 -4.7851 -4.7851 -4.3351 -4.3351 -1.0375 -1.0375 -0.4094 -0.4094 0.4290 0.4290 0.4555 0.4555 0.4670 0.4670 0.7354 0.7354 1.6818 1.6818 1.6935 1.6935 8.4803 8.4803 9.7470 9.7470 10.5514 10.5514 10.5896 10.5896 k = 0.1196 0.1099 0.0000 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -20.2213 -20.2213 -16.2041 -16.2041 -16.1652 -16.1652 -16.1573 -16.1573 -8.1953 -8.1953 -4.7847 -4.7847 -4.7692 -4.7692 -4.3431 -4.3431 -1.0323 -1.0323 -0.4235 -0.4235 0.4050 0.4050 0.4343 0.4343 0.4348 0.4348 0.7398 0.7398 1.6859 1.6859 1.6977 1.6977 8.5237 8.5237 9.7752 9.7752 10.5373 10.5373 10.5751 10.5751 k = 0.1304 0.1199 0.0000 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.2150 -20.2150 -16.2195 -16.2195 -16.1672 -16.1672 -16.1590 -16.1590 -8.1668 -8.1668 -4.7676 -4.7676 -4.7520 -4.7520 -4.3519 -4.3519 -1.0265 -1.0265 -0.4386 -0.4386 0.3761 0.3761 0.4034 0.4034 0.4114 0.4114 0.7440 0.7440 1.6903 1.6903 1.7023 1.7023 8.5701 8.5701 9.8057 9.8057 10.5223 10.5223 10.5597 10.5597 k = 0.1413 0.1299 0.0000 ( 5759 PWs) bands (ev): -94.6158 -94.6158 -20.2082 -20.2082 -16.2361 -16.2361 -16.1692 -16.1692 -16.1609 -16.1609 -8.1362 -8.1362 -4.7492 -4.7492 -4.7335 -4.7335 -4.3615 -4.3615 -1.0202 -1.0202 -0.4547 -0.4547 0.3417 0.3417 0.3739 0.3739 0.3866 0.3866 0.7483 0.7483 1.6953 1.6953 1.7073 1.7073 8.6191 8.6191 9.8381 9.8381 10.5065 10.5065 10.5434 10.5434 k = 0.1522 0.1399 0.0000 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -20.2010 -20.2010 -16.2536 -16.2536 -16.1713 -16.1713 -16.1628 -16.1628 -8.1036 -8.1036 -4.7295 -4.7295 -4.7138 -4.7138 -4.3720 -4.3720 -1.0134 -1.0134 -0.4716 -0.4716 0.3030 0.3030 0.3451 0.3451 0.3601 0.3601 0.7525 0.7525 1.7006 1.7006 1.7127 1.7127 8.6704 8.6704 9.8725 9.8725 10.4899 10.4899 10.5263 10.5263 k = 0.1630 0.1499 0.0000 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -20.1934 -20.1934 -16.2721 -16.2721 -16.1734 -16.1734 -16.1648 -16.1648 -8.0691 -8.0691 -4.7087 -4.7087 -4.6929 -4.6929 -4.3833 -4.3833 -1.0061 -1.0061 -0.4893 -0.4893 0.2616 0.2616 0.3159 0.3159 0.3320 0.3320 0.7566 0.7566 1.7064 1.7064 1.7186 1.7186 8.7237 8.7237 9.9086 9.9086 10.4727 10.4727 10.5086 10.5086 k = 0.1739 0.1599 0.0000 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.1855 -20.1855 -16.2913 -16.2913 -16.1756 -16.1756 -16.1670 -16.1670 -8.0328 -8.0328 -4.6868 -4.6868 -4.6708 -4.6708 -4.3955 -4.3955 -0.9982 -0.9982 -0.5076 -0.5076 0.2183 0.2183 0.2858 0.2858 0.3024 0.3024 0.7605 0.7605 1.7127 1.7127 1.7249 1.7249 8.7787 8.7787 9.9462 9.9462 10.4549 10.4549 10.4902 10.4902 k = 0.1848 0.1699 0.0000 ( 5779 PWs) bands (ev): -94.6158 -94.6158 -20.1771 -20.1771 -16.3113 -16.3113 -16.1779 -16.1779 -16.1692 -16.1692 -7.9949 -7.9949 -4.6639 -4.6639 -4.6478 -4.6478 -4.4084 -4.4084 -0.9899 -0.9899 -0.5265 -0.5265 0.1735 0.1735 0.2545 0.2545 0.2713 0.2713 0.7643 0.7643 1.7193 1.7193 1.7315 1.7315 8.8350 8.8350 9.9853 9.9853 10.4366 10.4366 10.4714 10.4714 k = 0.1957 0.1799 0.0000 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.1685 -20.1685 -16.3318 -16.3318 -16.1802 -16.1802 -16.1714 -16.1714 -7.9555 -7.9555 -4.6400 -4.6400 -4.6237 -4.6237 -4.4222 -4.4222 -0.9810 -0.9810 -0.5459 -0.5459 0.1278 0.1278 0.2221 0.2221 0.2390 0.2390 0.7679 0.7679 1.7263 1.7263 1.7385 1.7385 8.8922 8.8922 10.0255 10.0255 10.4181 10.4181 10.4522 10.4522 k = 0.2065 0.1898 0.0000 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.1596 -20.1596 -16.3529 -16.3529 -16.1825 -16.1825 -16.1737 -16.1737 -7.9147 -7.9147 -4.6153 -4.6153 -4.5988 -4.5988 -4.4369 -4.4369 -0.9717 -0.9717 -0.5657 -0.5657 0.0812 0.0812 0.1886 0.1886 0.2054 0.2054 0.7713 0.7713 1.7337 1.7337 1.7458 1.7458 8.9501 8.9501 10.0668 10.0668 10.3992 10.3992 10.4328 10.4328 k = 0.2174 0.1998 0.0000 ( 5755 PWs) bands (ev): -94.6158 -94.6158 -20.1504 -20.1504 -16.3743 -16.3743 -16.1849 -16.1849 -16.1761 -16.1761 -7.8726 -7.8726 -4.5898 -4.5898 -4.5730 -4.5730 -4.4522 -4.4522 -0.9620 -0.9620 -0.5857 -0.5857 0.0342 0.0342 0.1541 0.1541 0.1708 0.1708 0.7743 0.7743 1.7413 1.7413 1.7534 1.7534 9.0082 9.0082 10.1089 10.1089 10.3803 10.3803 10.4131 10.4131 k = 0.2283 0.2098 0.0000 ( 5747 PWs) bands (ev): -94.6158 -94.6158 -20.1410 -20.1410 -16.3961 -16.3961 -16.1873 -16.1873 -16.1785 -16.1785 -7.8293 -7.8293 -4.5638 -4.5638 -4.5465 -4.5465 -4.4682 -4.4682 -0.9518 -0.9518 -0.6058 -0.6058 -0.0131 -0.0131 0.1187 0.1187 0.1352 0.1352 0.7771 0.7771 1.7493 1.7493 1.7612 1.7612 9.0663 9.0663 10.1514 10.1514 10.3615 10.3615 10.3933 10.3933 k = 0.2391 0.2198 0.0000 ( 5751 PWs) bands (ev): -94.6158 -94.6158 -20.1314 -20.1314 -16.4181 -16.4181 -16.1897 -16.1897 -16.1809 -16.1809 -7.7851 -7.7851 -4.5379 -4.5379 -4.5195 -4.5195 -4.4844 -4.4844 -0.9414 -0.9414 -0.6260 -0.6260 -0.0604 -0.0604 0.0825 0.0825 0.0989 0.0989 0.7795 0.7795 1.7575 1.7575 1.7693 1.7693 9.1239 9.1239 10.1940 10.1940 10.3431 10.3431 10.3735 10.3735 k = 0.2500 0.2298 0.0000 ( 5751 PWs) bands (ev): -94.6158 -94.6158 -20.1218 -20.1218 -16.4402 -16.4402 -16.1921 -16.1921 -16.1833 -16.1833 -7.7400 -7.7400 -4.5173 -4.5173 -4.4956 -4.4956 -4.4917 -4.4917 -0.9306 -0.9306 -0.6462 -0.6462 -0.1075 -0.1075 0.0458 0.0458 0.0619 0.0619 0.7816 0.7816 1.7658 1.7658 1.7775 1.7775 9.1807 9.1807 10.2355 10.2355 10.3261 10.3261 10.3538 10.3538 k = 0.2609 0.2398 0.0000 ( 5763 PWs) bands (ev): -94.6158 -94.6158 -20.1120 -20.1120 -16.4624 -16.4624 -16.1946 -16.1946 -16.1857 -16.1857 -7.6943 -7.6943 -4.5260 -4.5260 -4.4776 -4.4776 -4.4638 -4.4638 -0.9195 -0.9195 -0.6661 -0.6661 -0.1542 -0.1542 0.0086 0.0086 0.0245 0.0245 0.7833 0.7833 1.7743 1.7743 1.7859 1.7859 9.2364 9.2364 10.2701 10.2701 10.3163 10.3163 10.3343 10.3343 k = 0.2717 0.2498 0.0000 ( 5759 PWs) bands (ev): -94.6158 -94.6158 -20.1022 -20.1022 -16.4844 -16.4844 -16.1970 -16.1970 -16.1881 -16.1881 -7.6481 -7.6481 -4.5442 -4.5442 -4.4507 -4.4507 -4.4355 -4.4355 -0.9083 -0.9083 -0.6858 -0.6858 -0.2003 -0.2003 -0.0290 -0.0290 -0.0132 -0.0132 0.7846 0.7846 1.7830 1.7830 1.7944 1.7944 9.2907 9.2907 10.2741 10.2741 10.3148 10.3148 10.3374 10.3374 k = 0.2826 0.2598 0.0000 ( 5747 PWs) bands (ev): -94.6158 -94.6158 -20.0924 -20.0924 -16.5062 -16.5062 -16.1993 -16.1993 -16.1905 -16.1905 -7.6015 -7.6015 -4.5639 -4.5639 -4.4228 -4.4228 -4.4070 -4.4070 -0.8970 -0.8970 -0.7052 -0.7052 -0.2456 -0.2456 -0.0666 -0.0666 -0.0511 -0.0511 0.7856 0.7856 1.7916 1.7916 1.8029 1.8029 9.3434 9.3434 10.2599 10.2599 10.2959 10.2959 10.3764 10.3764 k = 0.2935 0.2698 0.0000 ( 5731 PWs) bands (ev): -94.6158 -94.6158 -20.0826 -20.0826 -16.5278 -16.5278 -16.2017 -16.2017 -16.1928 -16.1928 -7.5548 -7.5548 -4.5845 -4.5845 -4.3946 -4.3946 -4.3784 -4.3784 -0.8857 -0.8857 -0.7240 -0.7240 -0.2898 -0.2898 -0.1042 -0.1042 -0.0889 -0.0889 0.7861 0.7861 1.8003 1.8003 1.8114 1.8114 9.3940 9.3940 10.2431 10.2431 10.2773 10.2773 10.4179 10.4179 k = 0.3043 0.2798 0.0000 ( 5719 PWs) bands (ev): -94.6158 -94.6158 -20.0729 -20.0729 -16.5490 -16.5490 -16.2040 -16.2040 -16.1951 -16.1951 -7.5081 -7.5081 -4.6056 -4.6056 -4.3664 -4.3664 -4.3500 -4.3500 -0.8745 -0.8745 -0.7422 -0.7422 -0.3328 -0.3328 -0.1416 -0.1416 -0.1265 -0.1265 0.7863 0.7863 1.8089 1.8089 1.8198 1.8198 9.4425 9.4425 10.2261 10.2261 10.2592 10.2592 10.4594 10.4594 k = 0.3152 0.2898 0.0000 ( 5719 PWs) bands (ev): -94.6158 -94.6158 -20.0634 -20.0634 -16.5697 -16.5697 -16.2062 -16.2062 -16.1973 -16.1973 -7.4617 -7.4617 -4.6272 -4.6272 -4.3384 -4.3384 -4.3217 -4.3217 -0.8636 -0.8636 -0.7596 -0.7596 -0.3743 -0.3743 -0.1786 -0.1786 -0.1636 -0.1636 0.7861 0.7861 1.8175 1.8175 1.8282 1.8282 9.4886 9.4886 10.2093 10.2093 10.2416 10.2416 10.5003 10.5003 k = 0.3261 0.2998 0.0000 ( 5739 PWs) bands (ev): -94.6158 -94.6158 -20.0541 -20.0541 -16.5898 -16.5898 -16.2084 -16.2084 -16.1995 -16.1995 -7.4158 -7.4158 -4.6491 -4.6491 -4.3108 -4.3108 -4.2939 -4.2939 -0.8533 -0.8533 -0.7760 -0.7760 -0.4142 -0.4142 -0.2149 -0.2149 -0.2002 -0.2002 0.7855 0.7855 1.8258 1.8258 1.8363 1.8363 9.5321 9.5321 10.1930 10.1930 10.2247 10.2247 10.5402 10.5402 k = 0.3370 0.3097 0.0000 ( 5739 PWs) bands (ev): -94.6158 -94.6158 -20.0450 -20.0450 -16.6092 -16.6092 -16.2105 -16.2105 -16.2016 -16.2016 -7.3706 -7.3706 -4.6713 -4.6713 -4.2837 -4.2837 -4.2665 -4.2665 -0.8439 -0.8439 -0.7911 -0.7911 -0.4523 -0.4523 -0.2505 -0.2505 -0.2359 -0.2359 0.7847 0.7847 1.8340 1.8340 1.8443 1.8443 9.5729 9.5729 10.1772 10.1772 10.2084 10.2084 10.5789 10.5789 k = 0.3478 0.3197 0.0000 ( 5738 PWs) bands (ev): -94.6158 -94.6158 -20.0362 -20.0362 -16.6279 -16.6279 -16.2125 -16.2125 -16.2036 -16.2036 -7.3264 -7.3264 -4.6935 -4.6935 -4.2572 -4.2572 -4.2399 -4.2399 -0.8367 -0.8367 -0.8038 -0.8038 -0.4882 -0.4882 -0.2850 -0.2850 -0.2706 -0.2706 0.7835 0.7835 1.8419 1.8419 1.8520 1.8520 9.6110 9.6110 10.1621 10.1621 10.1929 10.1929 10.6161 10.6161 k = 0.3587 0.3297 0.0000 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -20.0277 -20.0277 -16.6457 -16.6457 -16.2144 -16.2144 -16.2055 -16.2055 -7.2833 -7.2833 -4.7156 -4.7156 -4.2316 -4.2316 -4.2141 -4.2141 -0.8352 -0.8352 -0.8106 -0.8106 -0.5218 -0.5218 -0.3184 -0.3184 -0.3040 -0.3040 0.7821 0.7821 1.8495 1.8495 1.8594 1.8594 9.6462 9.6462 10.1478 10.1478 10.1782 10.1782 10.6517 10.6517 k = 0.3696 0.3397 0.0000 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -20.0197 -20.0197 -16.6626 -16.6626 -16.2162 -16.2162 -16.2073 -16.2073 -7.2417 -7.2417 -4.7375 -4.7375 -4.2071 -4.2071 -4.1894 -4.1894 -0.8420 -0.8420 -0.8092 -0.8092 -0.5527 -0.5527 -0.3503 -0.3503 -0.3361 -0.3361 0.7805 0.7805 1.8567 1.8567 1.8665 1.8665 9.6785 9.6785 10.1343 10.1343 10.1643 10.1643 10.6854 10.6854 k = 0.3804 0.3497 0.0000 ( 5738 PWs) bands (ev): -94.6158 -94.6158 -20.0121 -20.0121 -16.6784 -16.6784 -16.2179 -16.2179 -16.2090 -16.2090 -7.2019 -7.2019 -4.7589 -4.7589 -4.1836 -4.1836 -4.1658 -4.1658 -0.8518 -0.8518 -0.8052 -0.8052 -0.5805 -0.5805 -0.3806 -0.3806 -0.3665 -0.3665 0.7788 0.7788 1.8636 1.8636 1.8731 1.8731 9.7080 9.7080 10.1216 10.1216 10.1513 10.1513 10.7172 10.7172 k = 0.3913 0.3597 0.0000 ( 5734 PWs) bands (ev): -94.6158 -94.6158 -20.0050 -20.0050 -16.6932 -16.6932 -16.2195 -16.2195 -16.2105 -16.2105 -7.1641 -7.1641 -4.7795 -4.7795 -4.1616 -4.1616 -4.1435 -4.1435 -0.8615 -0.8615 -0.8021 -0.8021 -0.6048 -0.6048 -0.4091 -0.4091 -0.3950 -0.3950 0.7770 0.7770 1.8700 1.8700 1.8794 1.8794 9.7346 9.7346 10.1099 10.1099 10.1393 10.1393 10.7468 10.7468 k = 0.4022 0.3697 0.0000 ( 5734 PWs) bands (ev): -94.6158 -94.6158 -19.9984 -19.9984 -16.7068 -16.7068 -16.2209 -16.2209 -16.2120 -16.2120 -7.1286 -7.1286 -4.7993 -4.7993 -4.1410 -4.1410 -4.1228 -4.1228 -0.8703 -0.8703 -0.8011 -0.8011 -0.6251 -0.6251 -0.4356 -0.4356 -0.4216 -0.4216 0.7751 0.7751 1.8759 1.8759 1.8852 1.8852 9.7584 9.7584 10.0992 10.0992 10.1283 10.1283 10.7740 10.7740 k = 0.4130 0.3797 0.0000 ( 5758 PWs) bands (ev): -94.6158 -94.6158 -19.9923 -19.9923 -16.7191 -16.7191 -16.2222 -16.2222 -16.2133 -16.2133 -7.0958 -7.0958 -4.8179 -4.8179 -4.1221 -4.1221 -4.1037 -4.1037 -0.8779 -0.8779 -0.8027 -0.8027 -0.6410 -0.6410 -0.4600 -0.4600 -0.4459 -0.4459 0.7732 0.7732 1.8813 1.8813 1.8904 1.8904 9.7795 9.7795 10.0894 10.0894 10.1184 10.1184 10.7988 10.7988 k = 0.4239 0.3897 0.0000 ( 5754 PWs) bands (ev): -94.6158 -94.6158 -19.9869 -19.9869 -16.7302 -16.7302 -16.2234 -16.2234 -16.2144 -16.2144 -7.0660 -7.0660 -4.8351 -4.8351 -4.1050 -4.1050 -4.0865 -4.0865 -0.8843 -0.8843 -0.8071 -0.8071 -0.6525 -0.6525 -0.4819 -0.4819 -0.4679 -0.4679 0.7714 0.7714 1.8862 1.8862 1.8951 1.8951 9.7978 9.7978 10.0807 10.0807 10.1095 10.1095 10.8210 10.8210 k = 0.4348 0.3997 0.0000 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9822 -19.9822 -16.7398 -16.7398 -16.2244 -16.2244 -16.2155 -16.2155 -7.0393 -7.0393 -4.8507 -4.8507 -4.0898 -4.0898 -4.0712 -4.0712 -0.8892 -0.8892 -0.8139 -0.8139 -0.6601 -0.6601 -0.5013 -0.5013 -0.4873 -0.4873 0.7697 0.7697 1.8904 1.8904 1.8993 1.8993 9.8136 9.8136 10.0731 10.0731 10.1017 10.1017 10.8405 10.8405 k = 0.4457 0.4097 0.0000 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9781 -19.9781 -16.7481 -16.7481 -16.2253 -16.2253 -16.2163 -16.2163 -7.0162 -7.0162 -4.8644 -4.8644 -4.0768 -4.0768 -4.0580 -4.0580 -0.8929 -0.8929 -0.8221 -0.8221 -0.6647 -0.6647 -0.5179 -0.5179 -0.5040 -0.5040 0.7682 0.7682 1.8941 1.8941 1.9029 1.9029 9.8268 9.8268 10.0667 10.0667 10.0951 10.0951 10.8571 10.8571 k = 0.4565 0.4197 0.0000 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9747 -19.9747 -16.7550 -16.7550 -16.2260 -16.2260 -16.2171 -16.2171 -6.9969 -6.9969 -4.8759 -4.8759 -4.0659 -4.0659 -4.0471 -4.0471 -0.8952 -0.8952 -0.8308 -0.8308 -0.6671 -0.6671 -0.5318 -0.5318 -0.5178 -0.5178 0.7669 0.7669 1.8971 1.8971 1.9058 1.9058 9.8375 9.8375 10.0613 10.0613 10.0897 10.0897 10.8709 10.8709 k = 0.4674 0.4296 0.0000 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9720 -19.9720 -16.7603 -16.7603 -16.2266 -16.2266 -16.2176 -16.2176 -6.9816 -6.9816 -4.8851 -4.8851 -4.0574 -4.0574 -4.0385 -4.0385 -0.8964 -0.8964 -0.8389 -0.8389 -0.6681 -0.6681 -0.5427 -0.5427 -0.5287 -0.5287 0.7658 0.7658 1.8995 1.8995 1.9081 1.9081 9.8457 9.8457 10.0572 10.0572 10.0854 10.0854 10.8817 10.8817 k = 0.4783 0.4396 0.0000 ( 5754 PWs) bands (ev): -94.6158 -94.6158 -19.9701 -19.9701 -16.7642 -16.7642 -16.2270 -16.2270 -16.2180 -16.2180 -6.9706 -6.9706 -4.8918 -4.8918 -4.0512 -4.0512 -4.0323 -4.0323 -0.8968 -0.8968 -0.8457 -0.8457 -0.6685 -0.6685 -0.5505 -0.5505 -0.5366 -0.5366 0.7651 0.7651 1.9012 1.9012 1.9098 1.9098 9.8516 9.8516 10.0542 10.0542 10.0823 10.0823 10.8894 10.8894 k = 0.4891 0.4496 0.0000 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9689 -19.9689 -16.7665 -16.7665 -16.2272 -16.2272 -16.2183 -16.2183 -6.9639 -6.9639 -4.8959 -4.8959 -4.0475 -4.0475 -4.0285 -4.0285 -0.8967 -0.8967 -0.8501 -0.8501 -0.6686 -0.6686 -0.5552 -0.5552 -0.5413 -0.5413 0.7646 0.7646 1.9023 1.9023 1.9108 1.9108 9.8551 9.8551 10.0524 10.0524 10.0805 10.0805 10.8941 10.8941 k = 0.5000 0.4596 0.0000 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9686 -19.9686 -16.7673 -16.7673 -16.2273 -16.2273 -16.2183 -16.2183 -6.9616 -6.9616 -4.8973 -4.8973 -4.0463 -4.0463 -4.0272 -4.0272 -0.8966 -0.8966 -0.8517 -0.8517 -0.6686 -0.6686 -0.5568 -0.5568 -0.5429 -0.5429 0.7644 0.7644 1.9026 1.9026 1.9111 1.9111 9.8563 9.8563 10.0518 10.0518 10.0799 10.0799 10.8956 10.8956 k = 0.5000 0.4596 0.0000 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9686 -19.9686 -16.7673 -16.7673 -16.2273 -16.2273 -16.2183 -16.2183 -6.9616 -6.9616 -4.8973 -4.8973 -4.0463 -4.0463 -4.0272 -4.0272 -0.8966 -0.8966 -0.8517 -0.8517 -0.6686 -0.6686 -0.5568 -0.5568 -0.5429 -0.5429 0.7644 0.7644 1.9026 1.9026 1.9111 1.9111 9.8563 9.8563 10.0518 10.0518 10.0799 10.0799 10.8956 10.8956 k = 0.4931 0.4671 0.0102 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9686 -19.9686 -16.7673 -16.7670 -16.2275 -16.2271 -16.2184 -16.2184 -6.9619 -6.9619 -4.8982 -4.8970 -4.0470 -4.0458 -4.0275 -4.0272 -0.8993 -0.8968 -0.8571 -0.8554 -0.6757 -0.6735 -0.5520 -0.5502 -0.5351 -0.5348 0.7646 0.7650 1.9021 1.9025 1.9107 1.9110 9.8537 9.8546 10.0521 10.0530 10.0803 10.0811 10.8957 10.8968 k = 0.4863 0.4746 0.0203 ( 5748 PWs) bands (ev): -94.6158 -94.6158 -19.9686 -19.9686 -16.7672 -16.7664 -16.2279 -16.2270 -16.2184 -16.2184 -6.9629 -6.9628 -4.8997 -4.8972 -4.0479 -4.0458 -4.0278 -4.0270 -0.9074 -0.9018 -0.8686 -0.8642 -0.6897 -0.6863 -0.5428 -0.5408 -0.5101 -0.5083 0.7657 0.7665 1.9011 1.9019 1.9097 1.9103 9.8472 9.8488 10.0531 10.0546 10.0829 10.0849 10.8971 10.8992 k = 0.4794 0.4821 0.0305 ( 5738 PWs) bands (ev): -94.6158 -94.6158 -19.9687 -19.9687 -16.7668 -16.7656 -16.2283 -16.2269 -16.2186 -16.2184 -6.9644 -6.9642 -4.9017 -4.8981 -4.0496 -4.0469 -4.0279 -4.0261 -0.9258 -0.9182 -0.8768 -0.8706 -0.7050 -0.7010 -0.5320 -0.5289 -0.4738 -0.4709 0.7676 0.7687 1.8994 1.9007 1.9082 1.9090 9.8374 9.8397 10.0527 10.0548 10.0889 10.0923 10.8997 10.9029 k = 0.4725 0.4895 0.0406 ( 5738 PWs) bands (ev): -94.6158 -94.6158 -19.9687 -19.9687 -16.7661 -16.7646 -16.2289 -16.2270 -16.2186 -16.2183 -6.9666 -6.9664 -4.9042 -4.8994 -4.0524 -4.0494 -4.0272 -4.0241 -0.9537 -0.9461 -0.8791 -0.8727 -0.7196 -0.7151 -0.5187 -0.5147 -0.4316 -0.4281 0.7703 0.7718 1.8972 1.8989 1.9061 1.9072 9.8251 9.8279 10.0500 10.0527 10.0989 10.1035 10.9036 10.9078 k = 0.4656 0.4970 0.0508 ( 5734 PWs) bands (ev): -94.6158 -94.6158 -19.9689 -19.9689 -16.7652 -16.7633 -16.2296 -16.2273 -16.2186 -16.2181 -6.9695 -6.9692 -4.9071 -4.9013 -4.0568 -4.0537 -4.0255 -4.0208 -0.9869 -0.9796 -0.8792 -0.8725 -0.7326 -0.7277 -0.5035 -0.4989 -0.3860 -0.3822 0.7738 0.7757 1.8944 1.8965 1.9034 1.9048 9.8112 9.8143 10.0453 10.0483 10.1118 10.1173 10.9086 10.9140 k = 0.4587 0.5045 0.0610 ( 5740 PWs) bands (ev): -94.6158 -94.6158 -19.9690 -19.9690 -16.7641 -16.7618 -16.2307 -16.2278 -16.2184 -16.2177 -6.9730 -6.9727 -4.9104 -4.9035 -4.0627 -4.0594 -4.0228 -4.0165 -1.0226 -1.0155 -0.8791 -0.8719 -0.7435 -0.7382 -0.4869 -0.4818 -0.3384 -0.3343 0.7780 0.7803 1.8911 1.8935 1.9002 1.9019 9.7961 9.7994 10.0388 10.0423 10.1266 10.1330 10.9149 10.9213 k = 0.4519 0.5120 0.0711 ( 5736 PWs) bands (ev): -94.6158 -94.6158 -19.9692 -19.9692 -16.7627 -16.7600 -16.2319 -16.2287 -16.2181 -16.2171 -6.9774 -6.9770 -4.9140 -4.9061 -4.0700 -4.0666 -4.0191 -4.0114 -1.0593 -1.0523 -0.8798 -0.8719 -0.7517 -0.7460 -0.4693 -0.4639 -0.2894 -0.2851 0.7831 0.7857 1.8871 1.8900 1.8964 1.8983 9.7803 9.7838 10.0310 10.0349 10.1427 10.1498 10.9222 10.9297 k = 0.4450 0.5195 0.0813 ( 5730 PWs) bands (ev): -94.6158 -94.6158 -19.9695 -19.9695 -16.7610 -16.7580 -16.2334 -16.2297 -16.2175 -16.2162 -6.9825 -6.9820 -4.9177 -4.9089 -4.0787 -4.0750 -4.0146 -4.0056 -1.0960 -1.0891 -0.8820 -0.8734 -0.7565 -0.7506 -0.4510 -0.4454 -0.2396 -0.2352 0.7889 0.7919 1.8826 1.8859 1.8921 1.8943 9.7641 9.7677 10.0220 10.0263 10.1596 10.1674 10.9307 10.9393 k = 0.4381 0.5269 0.0914 ( 5734 PWs) bands (ev): -94.6158 -94.6158 -19.9698 -19.9698 -16.7591 -16.7558 -16.2350 -16.2311 -16.2167 -16.2152 -6.9885 -6.9880 -4.9216 -4.9118 -4.0886 -4.0846 -4.0094 -3.9993 -1.1322 -1.1254 -0.8860 -0.8770 -0.7573 -0.7514 -0.4324 -0.4265 -0.1894 -0.1849 0.7954 0.7988 1.8775 1.8813 1.8872 1.8896 9.7477 9.7515 10.0119 10.0166 10.1768 10.1853 10.9402 10.9498 k = 0.4313 0.5344 0.1016 ( 5732 PWs) bands (ev): -94.6158 -94.6158 -19.9702 -19.9702 -16.7570 -16.7533 -16.2369 -16.2326 -16.2157 -16.2139 -6.9953 -6.9948 -4.9254 -4.9149 -4.0996 -4.0953 -4.0038 -3.9926 -1.1674 -1.1606 -0.8917 -0.8827 -0.7541 -0.7485 -0.4134 -0.4074 -0.1391 -0.1346 0.8027 0.8063 1.8718 1.8760 1.8818 1.8845 9.7313 9.7352 10.0008 10.0060 10.1943 10.2035 10.9506 10.9613 k = 0.4244 0.5419 0.1117 ( 5730 PWs) bands (ev): -94.6158 -94.6158 -19.9707 -19.9707 -16.7546 -16.7505 -16.2388 -16.2342 -16.2146 -16.2125 -7.0032 -7.0026 -4.9292 -4.9179 -4.1117 -4.1071 -3.9978 -3.9856 -1.2014 -1.1946 -0.8990 -0.8901 -0.7474 -0.7422 -0.3943 -0.3882 -0.0890 -0.0845 0.8106 0.8146 1.8655 1.8702 1.8759 1.8788 9.7150 9.7190 9.9889 9.9945 10.2118 10.2217 10.9619 10.9737 k = 0.4175 0.5494 0.1219 ( 5730 PWs) bands (ev): -94.6158 -94.6158 -19.9713 -19.9713 -16.7519 -16.7475 -16.2409 -16.2359 -16.2133 -16.2110 -7.0121 -7.0115 -4.9328 -4.9208 -4.1247 -4.1198 -3.9914 -3.9784 -1.2340 -1.2272 -0.9071 -0.8985 -0.7377 -0.7330 -0.3751 -0.3689 -0.0394 -0.0350 0.8192 0.8236 1.8586 1.8638 1.8696 1.8726 9.6990 9.7030 9.9763 9.9824 10.2292 10.2398 10.9739 10.9868 k = 0.4106 0.5568 0.1321 ( 5734 PWs) bands (ev): -94.6158 -94.6158 -19.9720 -19.9720 -16.7489 -16.7442 -16.2430 -16.2377 -16.2119 -16.2093 -7.0220 -7.0214 -4.9361 -4.9235 -4.1388 -4.1335 -3.9849 -3.9711 -1.2648 -1.2580 -0.9157 -0.9075 -0.7256 -0.7214 -0.3559 -0.3496 0.0094 0.0139 0.8286 0.8332 1.8510 1.8567 1.8629 1.8661 9.6832 9.6873 9.9631 9.9696 10.2464 10.2577 10.9866 11.0006 k = 0.4037 0.5643 0.1422 ( 5744 PWs) bands (ev): -94.6158 -94.6158 -19.9728 -19.9728 -16.7456 -16.7406 -16.2451 -16.2396 -16.2103 -16.2075 -7.0331 -7.0324 -4.9392 -4.9260 -4.1537 -4.1481 -3.9783 -3.9638 -1.2939 -1.2871 -0.9243 -0.9164 -0.7114 -0.7076 -0.3367 -0.3303 0.0573 0.0617 0.8386 0.8436 1.8428 1.8489 1.8558 1.8591 9.6679 9.6720 9.9494 9.9563 10.2633 10.2753 10.9999 11.0149 k = 0.3969 0.5718 0.1524 ( 5740 PWs) bands (ev): -94.6158 -94.6158 -19.9738 -19.9738 -16.7421 -16.7367 -16.2472 -16.2414 -16.2086 -16.2056 -7.0454 -7.0446 -4.9418 -4.9282 -4.1694 -4.1635 -3.9717 -3.9565 -1.3211 -1.3142 -0.9326 -0.9251 -0.6954 -0.6921 -0.3176 -0.3112 0.1039 0.1083 0.8493 0.8547 1.8339 1.8403 1.8486 1.8518 9.6529 9.6571 9.9353 9.9426 10.2799 10.2927 11.0135 11.0296 k = 0.3900 0.5793 0.1625 ( 5740 PWs) bands (ev): -94.6158 -94.6158 -19.9750 -19.9749 -16.7382 -16.7326 -16.2493 -16.2432 -16.2068 -16.2036 -7.0588 -7.0580 -4.9441 -4.9300 -4.1859 -4.1797 -3.9651 -3.9494 -1.3463 -1.3393 -0.9403 -0.9331 -0.6780 -0.6750 -0.2986 -0.2922 0.1490 0.1533 0.8608 0.8665 1.8243 1.8310 1.8411 1.8443 9.6384 9.6426 9.9209 9.9287 10.2961 10.3096 11.0274 11.0445 k = 0.3831 0.5868 0.1727 ( 5744 PWs) bands (ev): -94.6158 -94.6158 -19.9763 -19.9763 -16.7340 -16.7281 -16.2513 -16.2450 -16.2049 -16.2014 -7.0735 -7.0727 -4.9460 -4.9315 -4.2031 -4.1966 -3.9586 -3.9424 -1.3694 -1.3624 -0.9473 -0.9404 -0.6592 -0.6566 -0.2798 -0.2733 0.1923 0.1965 0.8731 0.8791 1.8141 1.8210 1.8335 1.8366 9.6243 9.6286 9.9063 9.9145 10.3118 10.3260 11.0414 11.0595 k = 0.3762 0.5942 0.1829 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9778 -19.9778 -16.7295 -16.7233 -16.2532 -16.2466 -16.2029 -16.1992 -7.0894 -7.0886 -4.9474 -4.9325 -4.2209 -4.2142 -3.9524 -3.9357 -1.3903 -1.3832 -0.9533 -0.9467 -0.6393 -0.6369 -0.2612 -0.2546 0.2335 0.2377 0.8862 0.8925 1.8033 1.8104 1.8257 1.8287 9.6107 9.6151 9.8916 9.9003 10.3271 10.3420 11.0553 11.0744 k = 0.3694 0.6017 0.1930 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -19.9795 -19.9795 -16.7247 -16.7182 -16.2549 -16.2482 -16.2008 -16.1969 -7.1065 -7.1057 -4.9483 -4.9332 -4.2394 -4.2324 -3.9464 -3.9293 -1.4090 -1.4019 -0.9583 -0.9519 -0.6182 -0.6161 -0.2427 -0.2361 0.2723 0.2764 0.9002 0.9069 1.7919 1.7991 1.8178 1.8208 9.5976 9.6020 9.8770 9.8861 10.3419 10.3575 11.0690 11.0890 k = 0.3625 0.6092 0.2032 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9815 -19.9814 -16.7195 -16.7128 -16.2566 -16.2496 -16.1987 -16.1944 -7.1250 -7.1241 -4.9488 -4.9334 -4.2583 -4.2510 -3.9407 -3.9233 -1.4255 -1.4183 -0.9620 -0.9559 -0.5961 -0.5942 -0.2245 -0.2179 0.3084 0.3125 0.9153 0.9223 1.7799 1.7873 1.8098 1.8128 9.5849 9.5893 9.8625 9.8721 10.3560 10.3724 11.0822 11.1032 k = 0.3556 0.6167 0.2133 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9837 -19.9836 -16.7139 -16.7070 -16.2580 -16.2508 -16.1964 -16.1920 -7.1446 -7.1437 -4.9489 -4.9332 -4.2777 -4.2702 -3.9355 -3.9177 -1.4397 -1.4324 -0.9645 -0.9586 -0.5732 -0.5714 -0.2065 -0.1998 0.3415 0.3456 0.9313 0.9386 1.7676 1.7749 1.8018 1.8047 9.5726 9.5770 9.8483 9.8584 10.3696 10.3867 11.0948 11.1168 k = 0.3556 0.6167 0.2133 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9837 -19.9836 -16.7139 -16.7070 -16.2580 -16.2508 -16.1964 -16.1920 -7.1446 -7.1437 -4.9489 -4.9332 -4.2777 -4.2702 -3.9355 -3.9177 -1.4397 -1.4324 -0.9645 -0.9586 -0.5732 -0.5714 -0.2065 -0.1998 0.3415 0.3456 0.9313 0.9386 1.7676 1.7749 1.8018 1.8047 9.5726 9.5770 9.8483 9.8584 10.3696 10.3867 11.0948 11.1168 k = 0.3429 0.6126 0.2189 ( 5779 PWs) bands (ev): -94.6158 -94.6158 -19.9851 -19.9851 -16.7105 -16.7035 -16.2586 -16.2513 -16.1951 -16.1905 -7.1569 -7.1560 -4.9480 -4.9323 -4.2889 -4.2812 -3.9333 -3.9155 -1.4461 -1.4387 -0.9648 -0.9591 -0.5597 -0.5580 -0.1973 -0.1906 0.3589 0.3630 0.9409 0.9484 1.7606 1.7679 1.7973 1.8003 9.5653 9.5698 9.8414 9.8518 10.3771 10.3945 11.1005 11.1229 k = 0.3302 0.6085 0.2245 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -19.9869 -19.9869 -16.7065 -16.6994 -16.2589 -16.2514 -16.1938 -16.1891 -7.1714 -7.1705 -4.9458 -4.9300 -4.3007 -4.2927 -3.9324 -3.9144 -1.4510 -1.4436 -0.9641 -0.9585 -0.5449 -0.5433 -0.1895 -0.1826 0.3763 0.3805 0.9515 0.9591 1.7535 1.7607 1.7927 1.7958 9.5568 9.5613 9.8363 9.8471 10.3849 10.4028 11.1039 11.1269 k = 0.3175 0.6044 0.2301 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -19.9890 -19.9890 -16.7020 -16.6948 -16.2588 -16.2513 -16.1924 -16.1875 -7.1880 -7.1870 -4.9422 -4.9264 -4.3130 -4.3047 -3.9327 -3.9146 -1.4545 -1.4472 -0.9624 -0.9569 -0.5289 -0.5274 -0.1831 -0.1759 0.3936 0.3980 0.9630 0.9707 1.7462 1.7533 1.7881 1.7913 9.5469 9.5514 9.8330 9.8442 10.3930 10.4114 11.1053 11.1287 k = 0.3048 0.6003 0.2356 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9915 -19.9914 -16.6972 -16.6899 -16.2584 -16.2508 -16.1910 -16.1859 -7.2063 -7.2054 -4.9374 -4.9217 -4.3256 -4.3170 -3.9341 -3.9159 -1.4568 -1.4495 -0.9597 -0.9544 -0.5116 -0.5101 -0.1783 -0.1707 0.4104 0.4151 0.9754 0.9832 1.7389 1.7458 1.7835 1.7870 9.5357 9.5403 9.8317 9.8433 10.4015 10.4203 11.1045 11.1283 k = 0.2921 0.5962 0.2412 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -19.9941 -19.9941 -16.6920 -16.6848 -16.2577 -16.2499 -16.1895 -16.1843 -7.2263 -7.2253 -4.9316 -4.9160 -4.3384 -4.3293 -3.9366 -3.9182 -1.4579 -1.4507 -0.9562 -0.9510 -0.4931 -0.4916 -0.1749 -0.1669 0.4267 0.4317 0.9886 0.9964 1.7316 1.7383 1.7790 1.7829 9.5234 9.5279 9.8323 9.8443 10.4102 10.4297 11.1016 11.1259 k = 0.2794 0.5921 0.2468 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9970 -19.9970 -16.6866 -16.6794 -16.2565 -16.2487 -16.1881 -16.1826 -7.2476 -7.2466 -4.9250 -4.9095 -4.3510 -4.3415 -3.9400 -3.9216 -1.4580 -1.4509 -0.9521 -0.9469 -0.4735 -0.4720 -0.1729 -0.1644 0.4421 0.4475 1.0025 1.0103 1.7243 1.7307 1.7750 1.7792 9.5100 9.5144 9.8349 9.8472 10.4193 10.4393 11.0968 11.1215 k = 0.2667 0.5880 0.2524 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -20.0001 -20.0001 -16.6811 -16.6739 -16.2550 -16.2471 -16.1867 -16.1810 -7.2700 -7.2690 -4.9178 -4.9024 -4.3634 -4.3534 -3.9444 -3.9260 -1.4572 -1.4502 -0.9472 -0.9421 -0.4529 -0.4512 -0.1723 -0.1631 0.4565 0.4623 1.0169 1.0247 1.7171 1.7231 1.7714 1.7760 9.4956 9.4999 9.8393 9.8518 10.4287 10.4492 11.0900 11.1151 k = 0.2540 0.5838 0.2579 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -20.0033 -20.0033 -16.6755 -16.6683 -16.2532 -16.2452 -16.1852 -16.1793 -7.2932 -7.2922 -4.9102 -4.8950 -4.3752 -4.3648 -3.9496 -3.9312 -1.4556 -1.4487 -0.9419 -0.9368 -0.4316 -0.4296 -0.1727 -0.1628 0.4697 0.4759 1.0317 1.0395 1.7098 1.7156 1.7685 1.7736 9.4805 9.4846 9.8455 9.8582 10.4384 10.4595 11.0814 11.1069 k = 0.2413 0.5797 0.2635 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.0067 -20.0066 -16.6699 -16.6628 -16.2509 -16.2429 -16.1839 -16.1777 -7.3170 -7.3161 -4.9024 -4.8875 -4.3863 -4.3753 -3.9557 -3.9372 -1.4532 -1.4464 -0.9361 -0.9310 -0.4099 -0.4075 -0.1739 -0.1630 0.4813 0.4880 1.0467 1.0544 1.7025 1.7080 1.7666 1.7719 9.4647 9.4686 9.8532 9.8661 10.4483 10.4700 11.0711 11.0970 k = 0.2286 0.5756 0.2691 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -20.0101 -20.0101 -16.6643 -16.6574 -16.2483 -16.2402 -16.1825 -16.1761 -7.3412 -7.3403 -4.8946 -4.8801 -4.3963 -4.3849 -3.9624 -3.9441 -1.4502 -1.4436 -0.9299 -0.9248 -0.3883 -0.3851 -0.1753 -0.1634 0.4913 0.4984 1.0617 1.0693 1.6952 1.7005 1.7656 1.7713 9.4486 9.4522 9.8625 9.8753 10.4585 10.4807 11.0593 11.0855 k = 0.2159 0.5715 0.2747 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0135 -20.0135 -16.6589 -16.6522 -16.2454 -16.2372 -16.1812 -16.1746 -7.3655 -7.3646 -4.8871 -4.8730 -4.4052 -4.3933 -3.9699 -3.9516 -1.4466 -1.4403 -0.9234 -0.9183 -0.3675 -0.3634 -0.1762 -0.1630 0.4994 0.5069 1.0766 1.0840 1.6879 1.6929 1.7658 1.7717 9.4322 9.4356 9.8730 9.8858 10.4690 10.4916 11.0459 11.0725 k = 0.2032 0.5674 0.2802 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -20.0170 -20.0170 -16.6536 -16.6471 -16.2422 -16.2340 -16.1800 -16.1731 -7.3898 -7.3888 -4.8801 -4.8665 -4.4126 -4.4003 -3.9779 -3.9598 -1.4427 -1.4365 -0.9166 -0.9115 -0.3486 -0.3434 -0.1755 -0.1610 0.5054 0.5133 1.0913 1.0985 1.6806 1.6854 1.7673 1.7732 9.4157 9.4189 9.8847 9.8974 10.4796 10.5028 11.0313 11.0581 k = 0.1905 0.5633 0.2858 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0204 -20.0204 -16.6486 -16.6423 -16.2387 -16.2304 -16.1788 -16.1717 -7.4136 -7.4127 -4.8738 -4.8607 -4.4184 -4.4057 -3.9865 -3.9686 -1.4384 -1.4325 -0.9095 -0.9045 -0.3328 -0.3265 -0.1716 -0.1559 0.5092 0.5174 1.1055 1.1125 1.6734 1.6779 1.7699 1.7759 9.3993 9.4022 9.8973 9.9098 10.4905 10.5141 11.0154 11.0425 k = 0.1778 0.5592 0.2914 ( 5773 PWs) bands (ev): -94.6158 -94.6158 -20.0238 -20.0238 -16.6438 -16.6378 -16.2350 -16.2267 -16.1778 -16.1704 -7.4370 -7.4361 -4.8682 -4.8558 -4.4226 -4.4095 -3.9956 -3.9779 -1.4338 -1.4282 -0.9022 -0.8973 -0.3213 -0.3144 -0.1629 -0.1465 0.5107 0.5192 1.1192 1.1259 1.6661 1.6705 1.7738 1.7796 9.3832 9.3859 9.9107 9.9230 10.5015 10.5256 10.9985 11.0258 k = 0.1651 0.5551 0.2969 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.0271 -20.0271 -16.6393 -16.6336 -16.2312 -16.2227 -16.1768 -16.1692 -7.4596 -7.4588 -4.8636 -4.8519 -4.4249 -4.4116 -4.0051 -3.9876 -1.4291 -1.4238 -0.8948 -0.8900 -0.3149 -0.3080 -0.1484 -0.1320 0.5097 0.5186 1.1323 1.1387 1.6590 1.6632 1.7788 1.7844 9.3675 9.3699 9.9246 9.9366 10.5128 10.5373 10.9808 11.0081 k = 0.1524 0.5510 0.3025 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.0303 -20.0303 -16.6351 -16.6297 -16.2272 -16.2186 -16.1760 -16.1681 -7.4813 -7.4805 -4.8600 -4.8491 -4.4254 -4.4120 -4.0149 -3.9978 -1.4243 -1.4193 -0.8873 -0.8825 -0.3133 -0.3069 -0.1284 -0.1127 0.5063 0.5154 1.1447 1.1507 1.6521 1.6560 1.7847 1.7901 9.3523 9.3545 9.9388 9.9505 10.5243 10.5492 10.9622 10.9897 k = 0.1397 0.5469 0.3081 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -20.0333 -20.0333 -16.6312 -16.6262 -16.2231 -16.2145 -16.1753 -16.1672 -7.5019 -7.5011 -4.8573 -4.8473 -4.4241 -4.4107 -4.0248 -4.0082 -1.4196 -1.4149 -0.8797 -0.8751 -0.3155 -0.3099 -0.1043 -0.0894 0.5005 0.5098 1.1563 1.1620 1.6454 1.6491 1.7914 1.7964 9.3378 9.3398 9.9532 9.9644 10.5361 10.5612 10.9432 10.9707 k = 0.1270 0.5428 0.3137 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -20.0361 -20.0361 -16.6277 -16.6231 -16.2190 -16.2103 -16.1748 -16.1664 -7.5212 -7.5205 -4.8555 -4.8464 -4.4212 -4.4080 -4.0349 -4.0188 -1.4149 -1.4106 -0.8722 -0.8677 -0.3205 -0.3156 -0.0773 -0.0633 0.4924 0.5018 1.1672 1.1724 1.6391 1.6425 1.7987 1.8033 9.3241 9.3259 9.9675 9.9782 10.5480 10.5734 10.9237 10.9512 k = 0.1143 0.5387 0.3192 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.0388 -20.0388 -16.6245 -16.6202 -16.2149 -16.2062 -16.1744 -16.1658 -7.5392 -7.5385 -4.8546 -4.8464 -4.4170 -4.4040 -4.0449 -4.0295 -1.4104 -1.4065 -0.8647 -0.8605 -0.3273 -0.3230 -0.0485 -0.0353 0.4820 0.4915 1.1771 1.1819 1.6330 1.6362 1.8062 1.8104 9.3114 9.3130 9.9816 9.9916 10.5603 10.5858 10.9040 10.9314 k = 0.1016 0.5346 0.3248 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -20.0412 -20.0412 -16.6216 -16.6178 -16.2109 -16.2022 -16.1741 -16.1655 -7.5556 -7.5550 -4.8542 -4.8470 -4.4116 -4.3991 -4.0547 -4.0401 -1.4062 -1.4027 -0.8575 -0.8535 -0.3350 -0.3312 -0.0187 -0.0063 0.4695 0.4791 1.1862 1.1905 1.6274 1.6304 1.8138 1.8176 9.2997 9.3011 9.9950 10.0043 10.5728 10.5983 10.8842 10.9114 k = 0.0889 0.5305 0.3304 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0434 -20.0434 -16.6190 -16.6157 -16.2070 -16.1983 -16.1739 -16.1653 -7.5703 -7.5698 -4.8544 -4.8481 -4.4053 -4.3935 -4.0641 -4.0505 -1.4023 -1.3992 -0.8505 -0.8469 -0.3430 -0.3397 0.0114 0.0232 0.4553 0.4647 1.1944 1.1982 1.6224 1.6250 1.8212 1.8246 9.2891 9.2903 10.0077 10.0162 10.5855 10.6109 10.8647 10.8915 k = 0.0762 0.5264 0.3360 ( 5779 PWs) bands (ev): -94.6158 -94.6158 -20.0453 -20.0453 -16.6168 -16.6139 -16.2033 -16.1948 -16.1739 -16.1654 -7.5833 -7.5829 -4.8549 -4.8496 -4.3985 -4.3876 -4.0729 -4.0605 -1.3987 -1.3960 -0.8440 -0.8407 -0.3509 -0.3480 0.0413 0.0524 0.4395 0.4488 1.2016 1.2049 1.6178 1.6201 1.8282 1.8311 9.2797 9.2808 10.0194 10.0269 10.5986 10.6235 10.8456 10.8718 k = 0.0635 0.5223 0.3415 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0470 -20.0470 -16.6149 -16.6124 -16.1998 -16.1916 -16.1739 -16.1657 -7.5945 -7.5941 -4.8556 -4.8512 -4.3917 -4.3819 -4.0808 -4.0698 -1.3956 -1.3933 -0.8381 -0.8353 -0.3582 -0.3557 0.0704 0.0806 0.4228 0.4317 1.2078 1.2106 1.6139 1.6159 1.8346 1.8370 9.2717 9.2726 10.0299 10.0363 10.6118 10.6359 10.8275 10.8526 k = 0.0508 0.5182 0.3471 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0484 -20.0484 -16.6133 -16.6113 -16.1966 -16.1890 -16.1739 -16.1662 -7.6037 -7.6034 -4.8563 -4.8528 -4.3850 -4.3767 -4.0876 -4.0783 -1.3929 -1.3911 -0.8329 -0.8306 -0.3646 -0.3626 0.0978 0.1072 0.4058 0.4141 1.2130 1.2153 1.6107 1.6123 1.8401 1.8420 9.2651 9.2658 10.0389 10.0442 10.6250 10.6476 10.8107 10.8341 k = 0.0381 0.5141 0.3527 ( 5781 PWs) bands (ev): -94.6158 -94.6158 -20.0495 -20.0495 -16.6120 -16.6105 -16.1937 -16.1872 -16.1736 -16.1670 -7.6109 -7.6107 -4.8569 -4.8542 -4.3790 -4.3725 -4.0929 -4.0856 -1.3908 -1.3894 -0.8287 -0.8268 -0.3699 -0.3683 0.1228 0.1308 0.3896 0.3969 1.2171 1.2189 1.6081 1.6094 1.8446 1.8461 9.2599 9.2604 10.0463 10.0503 10.6379 10.6580 10.7963 10.8170 k = 0.0254 0.5100 0.3583 ( 5783 PWs) bands (ev): -94.6158 -94.6158 -20.0502 -20.0502 -16.6110 -16.6100 -16.1912 -16.1864 -16.1729 -16.1680 -7.6161 -7.6160 -4.8572 -4.8555 -4.3741 -4.3695 -4.0966 -4.0915 -1.3891 -1.3882 -0.8254 -0.8241 -0.3737 -0.3727 0.1437 0.1498 0.3759 0.3816 1.2202 1.2214 1.6064 1.6072 1.8480 1.8490 9.2561 9.2565 10.0519 10.0546 10.6500 10.6657 10.7856 10.8018 k = 0.0127 0.5059 0.3638 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.0507 -20.0507 -16.6103 -16.6098 -16.1891 -16.1865 -16.1719 -16.1693 -7.6192 -7.6191 -4.8573 -4.8564 -4.3704 -4.3681 -4.0983 -4.0957 -1.3881 -1.3876 -0.8232 -0.8226 -0.3760 -0.3755 0.1586 0.1620 0.3669 0.3701 1.2222 1.2228 1.6054 1.6058 1.8502 1.8507 9.2539 9.2541 10.0556 10.0569 10.6603 10.6692 10.7804 10.7895 k = 0.0000 0.5018 0.3694 ( 5786 PWs) bands (ev): -94.6158 -94.6158 -20.0509 -20.0509 -16.6099 -16.6099 -16.1874 -16.1874 -16.1706 -16.1706 -7.6202 -7.6202 -4.8570 -4.8570 -4.3684 -4.3684 -4.0980 -4.0980 -1.3875 -1.3875 -0.8223 -0.8223 -0.3766 -0.3766 0.1652 0.1652 0.3647 0.3647 1.2230 1.2230 1.6052 1.6052 1.8511 1.8511 9.2532 9.2532 10.0573 10.0573 10.6672 10.6672 10.7818 10.7818 k = 0.0000 0.5018 0.3694 ( 5786 PWs) bands (ev): -94.6158 -94.6158 -20.0509 -20.0509 -16.6099 -16.6099 -16.1874 -16.1874 -16.1706 -16.1706 -7.6202 -7.6202 -4.8570 -4.8570 -4.3684 -4.3684 -4.0980 -4.0980 -1.3875 -1.3875 -0.8223 -0.8223 -0.3766 -0.3766 0.1652 0.1652 0.3647 0.3647 1.2230 1.2230 1.6052 1.6052 1.8511 1.8511 9.2532 9.2532 10.0573 10.0573 10.6672 10.6672 10.7818 10.7818 k = 0.0069 0.4942 0.3797 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -20.0507 -20.0507 -16.6101 -16.6097 -16.1896 -16.1864 -16.1719 -16.1687 -7.6198 -7.6198 -4.8592 -4.8573 -4.3690 -4.3667 -4.0983 -4.0970 -1.3876 -1.3875 -0.8233 -0.8225 -0.3768 -0.3760 0.1653 0.1662 0.3647 0.3652 1.2226 1.2233 1.6050 1.6060 1.8507 1.8510 9.2530 9.2534 10.0565 10.0584 10.6629 10.6691 10.7799 10.7860 k = 0.0139 0.4867 0.3899 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -20.0504 -20.0504 -16.6104 -16.6095 -16.1926 -16.1868 -16.1723 -16.1666 -7.6186 -7.6184 -4.8637 -4.8601 -4.3685 -4.3639 -4.0979 -4.0951 -1.3878 -1.3874 -0.8255 -0.8239 -0.3766 -0.3751 0.1665 0.1682 0.3652 0.3662 1.2222 1.2235 1.6055 1.6074 1.8498 1.8504 9.2527 9.2534 10.0560 10.0598 10.6566 10.6682 10.7803 10.7919 k = 0.0208 0.4791 0.4002 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0497 -20.0497 -16.6107 -16.6094 -16.1960 -16.1888 -16.1716 -16.1646 -7.6164 -7.6163 -4.8705 -4.8652 -4.3669 -4.3602 -4.0967 -4.0926 -1.3879 -1.3873 -0.8288 -0.8265 -0.3762 -0.3740 0.1688 0.1713 0.3661 0.3677 1.2216 1.2236 1.6067 1.6094 1.8484 1.8493 9.2523 9.2534 10.0558 10.0615 10.6488 10.6647 10.7830 10.7990 k = 0.0278 0.4716 0.4105 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -20.0489 -20.0489 -16.6110 -16.6093 -16.1998 -16.1918 -16.1705 -16.1627 -7.6134 -7.6132 -4.8794 -4.8725 -4.3644 -4.3557 -4.0948 -4.0893 -1.3880 -1.3872 -0.8330 -0.8300 -0.3755 -0.3727 0.1720 0.1753 0.3676 0.3698 1.2210 1.2236 1.6084 1.6121 1.8466 1.8477 9.2518 9.2533 10.0559 10.0636 10.6400 10.6593 10.7875 10.8068 k = 0.0347 0.4640 0.4207 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0478 -20.0478 -16.6113 -16.6092 -16.2039 -16.1955 -16.1692 -16.1609 -7.6096 -7.6094 -4.8903 -4.8820 -4.3610 -4.3506 -4.0920 -4.0853 -1.3880 -1.3870 -0.8381 -0.8345 -0.3748 -0.3713 0.1760 0.1801 0.3696 0.3724 1.2204 1.2235 1.6108 1.6153 1.8442 1.8456 9.2512 9.2530 10.0564 10.0659 10.6307 10.6523 10.7933 10.8150 k = 0.0417 0.4564 0.4310 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -20.0464 -20.0464 -16.6117 -16.6092 -16.2083 -16.1996 -16.1679 -16.1594 -7.6050 -7.6047 -4.9029 -4.8933 -4.3571 -4.3450 -4.0885 -4.0806 -1.3880 -1.3867 -0.8439 -0.8397 -0.3740 -0.3701 0.1808 0.1856 0.3722 0.3755 1.2197 1.2235 1.6138 1.6190 1.8415 1.8431 9.2505 9.2527 10.0571 10.0684 10.6211 10.6445 10.7998 10.8232 k = 0.0486 0.4489 0.4412 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -20.0449 -20.0449 -16.6122 -16.6092 -16.2129 -16.2041 -16.1668 -16.1582 -7.5996 -7.5992 -4.9170 -4.9064 -4.3526 -4.3392 -4.0843 -4.0753 -1.3878 -1.3863 -0.8501 -0.8454 -0.3734 -0.3690 0.1860 0.1915 0.3754 0.3793 1.2191 1.2234 1.6173 1.6233 1.8382 1.8402 9.2497 9.2522 10.0580 10.0712 10.6114 10.6362 10.8065 10.8312 k = 0.0556 0.4413 0.4515 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -20.0431 -20.0431 -16.6127 -16.6093 -16.2178 -16.2088 -16.1658 -16.1571 -7.5935 -7.5930 -4.9325 -4.9209 -4.3479 -4.3333 -4.0794 -4.0693 -1.3875 -1.3857 -0.8567 -0.8515 -0.3730 -0.3682 0.1914 0.1977 0.3792 0.3838 1.2186 1.2234 1.6213 1.6280 1.8346 1.8369 9.2488 9.2516 10.0592 10.0742 10.6020 10.6277 10.8134 10.8390 k = 0.0625 0.4338 0.4618 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0411 -20.0411 -16.6132 -16.6095 -16.2228 -16.2138 -16.1650 -16.1562 -7.5866 -7.5862 -4.9492 -4.9367 -4.3430 -4.3276 -4.0738 -4.0627 -1.3869 -1.3847 -0.8635 -0.8579 -0.3728 -0.3677 0.1969 0.2037 0.3838 0.3889 1.2183 1.2235 1.6258 1.6331 1.8307 1.8333 9.2478 9.2508 10.0605 10.0774 10.5930 10.6195 10.8199 10.8463 k = 0.0694 0.4262 0.4720 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0390 -20.0390 -16.6139 -16.6097 -16.2279 -16.2188 -16.1644 -16.1556 -7.5791 -7.5786 -4.9668 -4.9536 -4.3381 -4.3220 -4.0675 -4.0556 -1.3860 -1.3835 -0.8703 -0.8644 -0.3729 -0.3675 0.2019 0.2094 0.3891 0.3949 1.2183 1.2239 1.6307 1.6385 1.8263 1.8294 9.2466 9.2499 10.0620 10.0806 10.5844 10.6116 10.8262 10.8530 k = 0.0764 0.4187 0.4823 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -20.0367 -20.0366 -16.6146 -16.6100 -16.2332 -16.2240 -16.1640 -16.1551 -7.5710 -7.5704 -4.9852 -4.9715 -4.3333 -4.3167 -4.0607 -4.0481 -1.3847 -1.3818 -0.8772 -0.8709 -0.3733 -0.3677 0.2064 0.2143 0.3953 0.4016 1.2187 1.2247 1.6358 1.6441 1.8218 1.8252 9.2453 9.2488 10.0637 10.0840 10.5766 10.6043 10.8318 10.8591 k = 0.0833 0.4111 0.4925 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -20.0342 -20.0342 -16.6153 -16.6105 -16.2385 -16.2293 -16.1637 -16.1548 -7.5623 -7.5617 -5.0043 -4.9900 -4.3287 -4.3119 -4.0534 -4.0401 -1.3829 -1.3797 -0.8839 -0.8773 -0.3740 -0.3681 0.2098 0.2181 0.4023 0.4091 1.2196 1.2259 1.6411 1.6498 1.8170 1.8208 9.2439 9.2476 10.0654 10.0873 10.5696 10.5978 10.8369 10.8645 k = 0.0903 0.4036 0.5028 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0316 -20.0316 -16.6162 -16.6110 -16.2438 -16.2346 -16.1636 -16.1547 -7.5531 -7.5525 -5.0238 -5.0091 -4.3244 -4.3074 -4.0456 -4.0318 -1.3807 -1.3770 -0.8905 -0.8836 -0.3748 -0.3687 0.2120 0.2205 0.4102 0.4174 1.2212 1.2279 1.6464 1.6554 1.8121 1.8164 9.2424 9.2462 10.0671 10.0907 10.5635 10.5921 10.8412 10.8691 k = 0.0972 0.3960 0.5131 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0288 -20.0288 -16.6172 -16.6116 -16.2491 -16.2400 -16.1637 -16.1547 -7.5434 -7.5428 -5.0437 -5.0286 -4.3203 -4.3035 -4.0375 -4.0233 -1.3778 -1.3737 -0.8969 -0.8897 -0.3757 -0.3694 0.2127 0.2213 0.4188 0.4263 1.2236 1.2306 1.6515 1.6608 1.8071 1.8120 9.2406 9.2447 10.0688 10.0939 10.5585 10.5875 10.8448 10.8728 k = 0.1042 0.3885 0.5233 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0260 -20.0260 -16.6182 -16.6123 -16.2543 -16.2453 -16.1639 -16.1549 -7.5334 -7.5327 -5.0637 -5.0483 -4.3166 -4.3000 -4.0292 -4.0146 -1.3743 -1.3696 -0.9032 -0.8957 -0.3766 -0.3700 0.2117 0.2204 0.4281 0.4357 1.2270 1.2342 1.6562 1.6658 1.8022 1.8076 9.2388 9.2430 10.0704 10.0970 10.5545 10.5839 10.8476 10.8756 k = 0.1111 0.3809 0.5336 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0231 -20.0231 -16.6194 -16.6132 -16.2595 -16.2505 -16.1642 -16.1553 -7.5231 -7.5223 -5.0839 -5.0682 -4.3133 -4.2969 -4.0207 -4.0059 -1.3700 -1.3649 -0.9093 -0.9014 -0.3773 -0.3705 0.2089 0.2176 0.4378 0.4456 1.2314 1.2389 1.6604 1.6702 1.7975 1.8036 9.2368 9.2411 10.0720 10.0999 10.5518 10.5815 10.8494 10.8775 k = 0.1181 0.3733 0.5439 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0202 -20.0202 -16.6206 -16.6141 -16.2645 -16.2556 -16.1646 -16.1557 -7.5125 -7.5117 -5.1040 -5.0881 -4.3103 -4.2944 -4.0122 -3.9972 -1.3650 -1.3594 -0.9153 -0.9071 -0.3778 -0.3708 0.2042 0.2127 0.4478 0.4556 1.2370 1.2449 1.6639 1.6737 1.7931 1.7999 9.2347 9.2391 10.0734 10.1026 10.5502 10.5802 10.8504 10.8785 k = 0.1250 0.3658 0.5541 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -20.0172 -20.0172 -16.6219 -16.6152 -16.2694 -16.2606 -16.1652 -16.1562 -7.5017 -7.5009 -5.1239 -5.1078 -4.3076 -4.2922 -4.0037 -3.9886 -1.3592 -1.3530 -0.9212 -0.9126 -0.3778 -0.3705 0.1976 0.2060 0.4579 0.4656 1.2440 1.2520 1.6663 1.6763 1.7892 1.7967 9.2325 9.2370 10.0748 10.1051 10.5499 10.5802 10.8505 10.8785 k = 0.1319 0.3582 0.5644 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -20.0142 -20.0142 -16.6234 -16.6164 -16.2740 -16.2654 -16.1658 -16.1568 -7.4908 -7.4901 -5.1435 -5.1273 -4.3053 -4.2905 -3.9953 -3.9801 -1.3526 -1.3458 -0.9271 -0.9182 -0.3772 -0.3697 0.1891 0.1972 0.4679 0.4755 1.2522 1.2606 1.6676 1.6776 1.7860 1.7942 9.2302 9.2348 10.0759 10.1072 10.5508 10.5814 10.8497 10.8775 k = 0.1389 0.3507 0.5746 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -20.0112 -20.0112 -16.6249 -16.6177 -16.2784 -16.2700 -16.1665 -16.1575 -7.4800 -7.4792 -5.1628 -5.1464 -4.3032 -4.2891 -3.9872 -3.9719 -1.3451 -1.3377 -0.9330 -0.9238 -0.3760 -0.3682 0.1786 0.1865 0.4777 0.4851 1.2618 1.2704 1.6676 1.6775 1.7834 1.7924 9.2279 9.2325 10.0769 10.1092 10.5529 10.5838 10.8480 10.8756 k = 0.1458 0.3431 0.5849 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -20.0083 -20.0083 -16.6265 -16.6191 -16.2826 -16.2744 -16.1673 -16.1583 -7.4692 -7.4684 -5.1815 -5.1651 -4.3015 -4.2880 -3.9793 -3.9640 -1.3368 -1.3288 -0.9391 -0.9296 -0.3738 -0.3658 0.1663 0.1739 0.4872 0.4943 1.2727 1.2816 1.6661 1.6761 1.7817 1.7913 9.2255 9.2301 10.0778 10.1108 10.5561 10.5873 10.8454 10.8728 k = 0.1528 0.3356 0.5952 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -20.0054 -20.0054 -16.6281 -16.6205 -16.2864 -16.2786 -16.1681 -16.1591 -7.4585 -7.4577 -5.1997 -5.1831 -4.3000 -4.2873 -3.9718 -3.9565 -1.3277 -1.3191 -0.9453 -0.9356 -0.3707 -0.3624 0.1523 0.1595 0.4962 0.5030 1.2849 1.2941 1.6631 1.6731 1.7807 1.7908 9.2230 9.2277 10.0786 10.1122 10.5604 10.5918 10.8421 10.8691 k = 0.1597 0.3280 0.6054 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -20.0026 -20.0026 -16.6298 -16.6220 -16.2900 -16.2825 -16.1689 -16.1599 -7.4481 -7.4474 -5.2171 -5.2005 -4.2987 -4.2868 -3.9646 -3.9494 -1.3178 -1.3086 -0.9518 -0.9418 -0.3666 -0.3580 0.1366 0.1435 0.5048 0.5112 1.2983 1.3077 1.6588 1.6688 1.7804 1.7909 9.2206 9.2253 10.0792 10.1134 10.5656 10.5974 10.8379 10.8645 k = 0.1667 0.3205 0.6157 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -19.9999 -19.9999 -16.6314 -16.6236 -16.2933 -16.2862 -16.1697 -16.1607 -7.4381 -7.4373 -5.2338 -5.2171 -4.2976 -4.2865 -3.9579 -3.9427 -1.3073 -1.2974 -0.9586 -0.9484 -0.3612 -0.3523 0.1193 0.1259 0.5127 0.5189 1.3127 1.3223 1.6532 1.6632 1.7806 1.7914 9.2182 9.2229 10.0797 10.1144 10.5716 10.6037 10.8331 10.8592 k = 0.1736 0.3129 0.6259 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9974 -19.9973 -16.6331 -16.6252 -16.2963 -16.2896 -16.1705 -16.1616 -7.4284 -7.4276 -5.2495 -5.2327 -4.2967 -4.2864 -3.9516 -3.9365 -1.2962 -1.2855 -0.9656 -0.9554 -0.3546 -0.3453 0.1008 0.1070 0.5201 0.5259 1.3280 1.3379 1.6466 1.6565 1.7811 1.7922 9.2158 9.2205 10.0802 10.1153 10.5784 10.6108 10.8276 10.8532 k = 0.1806 0.3054 0.6362 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9949 -19.9949 -16.6348 -16.6268 -16.2989 -16.2927 -16.1714 -16.1624 -7.4193 -7.4185 -5.2642 -5.2474 -4.2960 -4.2865 -3.9459 -3.9308 -1.2845 -1.2732 -0.9731 -0.9628 -0.3467 -0.3370 0.0810 0.0869 0.5269 0.5323 1.3440 1.3541 1.6389 1.6489 1.7818 1.7931 9.2135 9.2182 10.0807 10.1160 10.5857 10.6185 10.8216 10.8465 k = 0.1875 0.2978 0.6465 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9927 -19.9927 -16.6363 -16.6283 -16.3013 -16.2955 -16.1721 -16.1632 -7.4107 -7.4099 -5.2778 -5.2610 -4.2953 -4.2867 -3.9407 -3.9256 -1.2725 -1.2605 -0.9808 -0.9707 -0.3375 -0.3274 0.0604 0.0658 0.5331 0.5381 1.3606 1.3710 1.6303 1.6404 1.7826 1.7939 9.2113 9.2161 10.0810 10.1165 10.5934 10.6267 10.8153 10.8393 k = 0.1944 0.2902 0.6567 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9906 -19.9906 -16.6378 -16.6298 -16.3033 -16.2980 -16.1729 -16.1639 -7.4028 -7.4020 -5.2903 -5.2734 -4.2947 -4.2869 -3.9360 -3.9210 -1.2603 -1.2475 -0.9888 -0.9789 -0.3271 -0.3165 0.0391 0.0440 0.5386 0.5433 1.3776 1.3882 1.6210 1.6311 1.7833 1.7948 9.2093 9.2140 10.0814 10.1170 10.6015 10.6352 10.8086 10.8316 k = 0.2014 0.2827 0.6670 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -19.9887 -19.9887 -16.6393 -16.6311 -16.3050 -16.3003 -16.1736 -16.1646 -7.3956 -7.3948 -5.3015 -5.2846 -4.2943 -4.2873 -3.9318 -3.9169 -1.2481 -1.2346 -0.9971 -0.9873 -0.3155 -0.3043 0.0173 0.0217 0.5435 0.5478 1.3948 1.4055 1.6109 1.6211 1.7840 1.7955 9.2074 9.2122 10.0817 10.1175 10.6096 10.6439 10.8019 10.8237 k = 0.2083 0.2751 0.6773 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9871 -19.9871 -16.6405 -16.6324 -16.3064 -16.3023 -16.1742 -16.1652 -7.3892 -7.3885 -5.3114 -5.2944 -4.2938 -4.2877 -3.9282 -3.9133 -1.2362 -1.2219 -1.0053 -0.9960 -0.3030 -0.2911 -0.0044 -0.0007 0.5478 0.5517 1.4120 1.4229 1.6003 1.6105 1.7846 1.7960 9.2058 9.2105 10.0820 10.1178 10.6175 10.6525 10.7952 10.8155 k = 0.2153 0.2676 0.6875 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9857 -19.9856 -16.6416 -16.6335 -16.3075 -16.3041 -16.1747 -16.1658 -7.3837 -7.3830 -5.3198 -5.3029 -4.2935 -4.2882 -3.9251 -3.9103 -1.2248 -1.2097 -1.0134 -1.0046 -0.2897 -0.2769 -0.0258 -0.0228 0.5514 0.5551 1.4290 1.4401 1.5891 1.5993 1.7851 1.7965 9.2043 9.2090 10.0823 10.1181 10.6252 10.6608 10.7889 10.8074 k = 0.2222 0.2600 0.6978 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9845 -19.9845 -16.6426 -16.6345 -16.3083 -16.3055 -16.1752 -16.1662 -7.3791 -7.3784 -5.3268 -5.3099 -4.2931 -4.2886 -3.9226 -3.9079 -1.2144 -1.1984 -1.0209 -1.0128 -0.2762 -0.2623 -0.0462 -0.0440 0.5543 0.5578 1.4456 1.4567 1.5775 1.5876 1.7854 1.7968 9.2031 9.2078 10.0825 10.1184 10.6322 10.6686 10.7833 10.7995 k = 0.2292 0.2525 0.7080 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9835 -19.9835 -16.6433 -16.6352 -16.3089 -16.3068 -16.1755 -16.1666 -7.3755 -7.3748 -5.3323 -5.3154 -4.2928 -4.2890 -3.9207 -3.9059 -1.2053 -1.1886 -1.0276 -1.0203 -0.2631 -0.2479 -0.0651 -0.0633 0.5567 0.5599 1.4615 1.4726 1.5658 1.5757 1.7856 1.7971 9.2021 9.2068 10.0827 10.1186 10.6383 10.6754 10.7788 10.7922 k = 0.2361 0.2449 0.7183 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -19.9829 -19.9829 -16.6439 -16.6358 -16.3092 -16.3077 -16.1758 -16.1669 -7.3729 -7.3721 -5.3363 -5.3193 -4.2925 -4.2894 -3.9193 -3.9046 -1.1982 -1.1809 -1.0329 -1.0264 -0.2517 -0.2349 -0.0816 -0.0791 0.5583 0.5614 1.4760 1.4869 1.5546 1.5639 1.7858 1.7972 9.2014 9.2061 10.0828 10.1187 10.6431 10.6808 10.7758 10.7858 k = 0.2431 0.2374 0.7286 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6442 -16.6361 -16.3093 -16.3084 -16.1760 -16.1670 -7.3713 -7.3706 -5.3387 -5.3217 -4.2923 -4.2896 -3.9185 -3.9038 -1.1937 -1.1758 -1.0364 -1.0305 -0.2435 -0.2253 -0.0934 -0.0898 0.5593 0.5623 1.4877 1.4980 1.5457 1.5536 1.7859 1.7973 9.2010 9.2057 10.0829 10.1188 10.6462 10.6843 10.7745 10.7809 k = 0.2500 0.2298 0.7388 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9823 -19.9823 -16.6443 -16.6362 -16.3092 -16.3087 -16.1760 -16.1671 -7.3708 -7.3700 -5.3395 -5.3225 -4.2922 -4.2897 -3.9182 -3.9035 -1.1921 -1.1741 -1.0376 -1.0319 -0.2405 -0.2217 -0.0978 -0.0937 0.5597 0.5626 1.4927 1.5025 1.5423 1.5487 1.7859 1.7973 9.2008 9.2055 10.0830 10.1188 10.6473 10.6855 10.7745 10.7787 k = 0.2500 0.2298 0.7388 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9823 -19.9823 -16.6443 -16.6362 -16.3092 -16.3087 -16.1760 -16.1671 -7.3708 -7.3700 -5.3395 -5.3225 -4.2922 -4.2897 -3.9182 -3.9035 -1.1921 -1.1741 -1.0376 -1.0319 -0.2405 -0.2217 -0.0978 -0.0937 0.5597 0.5626 1.4927 1.5025 1.5423 1.5487 1.7859 1.7973 9.2008 9.2055 10.0830 10.1188 10.6473 10.6855 10.7745 10.7787 k = 0.2581 0.2372 0.7288 ( 5777 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6443 -16.6362 -16.3092 -16.3086 -16.1760 -16.1671 -7.3711 -7.3704 -5.3394 -5.3224 -4.2920 -4.2895 -3.9177 -3.9030 -1.1932 -1.1753 -1.0369 -1.0311 -0.2426 -0.2241 -0.0960 -0.0922 0.5596 0.5625 1.4906 1.5007 1.5443 1.5515 1.7859 1.7973 9.2010 9.2057 10.0833 10.1192 10.6465 10.6847 10.7748 10.7800 k = 0.2661 0.2446 0.7187 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6442 -16.6361 -16.3093 -16.3082 -16.1759 -16.1670 -7.3719 -7.3712 -5.3391 -5.3222 -4.2914 -4.2886 -3.9162 -3.9016 -1.1967 -1.1792 -1.0346 -1.0285 -0.2491 -0.2316 -0.0907 -0.0877 0.5593 0.5622 1.4853 1.4959 1.5502 1.5586 1.7858 1.7972 9.2017 9.2063 10.0843 10.1202 10.6443 10.6822 10.7761 10.7831 k = 0.2742 0.2520 0.7086 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -19.9828 -19.9828 -16.6441 -16.6360 -16.3092 -16.3077 -16.1757 -16.1668 -7.3732 -7.3725 -5.3386 -5.3219 -4.2904 -4.2873 -3.9137 -3.8993 -1.2027 -1.1858 -1.0304 -1.0241 -0.2600 -0.2439 -0.0825 -0.0805 0.5588 0.5618 1.4786 1.4893 1.5589 1.5679 1.7857 1.7971 9.2028 9.2074 10.0860 10.1218 10.6410 10.6785 10.7786 10.7872 k = 0.2823 0.2595 0.6985 ( 5765 PWs) bands (ev): -94.6158 -94.6158 -19.9831 -19.9831 -16.6440 -16.6360 -16.3091 -16.3070 -16.1754 -16.1667 -7.3747 -7.3740 -5.3378 -5.3213 -4.2889 -4.2854 -3.9104 -3.8960 -1.2110 -1.1948 -1.0244 -1.0178 -0.2748 -0.2600 -0.0726 -0.0712 0.5583 0.5613 1.4715 1.4821 1.5690 1.5783 1.7855 1.7969 9.2045 9.2091 10.0883 10.1241 10.6366 10.6738 10.7821 10.7919 k = 0.2903 0.2669 0.6885 ( 5765 PWs) bands (ev): -94.6158 -94.6158 -19.9835 -19.9835 -16.6439 -16.6360 -16.3089 -16.3063 -16.1751 -16.1665 -7.3764 -7.3756 -5.3368 -5.3206 -4.2869 -4.2831 -3.9061 -3.8920 -1.2212 -1.2058 -1.0169 -1.0102 -0.2926 -0.2791 -0.0621 -0.0606 0.5577 0.5607 1.4644 1.4748 1.5800 1.5894 1.7853 1.7967 9.2067 9.2113 10.0912 10.1270 10.6314 10.6682 10.7866 10.7971 k = 0.2984 0.2743 0.6784 ( 5769 PWs) bands (ev): -94.6158 -94.6158 -19.9839 -19.9839 -16.6439 -16.6361 -16.3085 -16.3055 -16.1748 -16.1664 -7.3780 -7.3773 -5.3356 -5.3196 -4.2846 -4.2804 -3.9010 -3.8872 -1.2329 -1.2184 -1.0083 -1.0015 -0.3129 -0.3005 -0.0516 -0.0497 0.5572 0.5601 1.4575 1.4677 1.5914 1.6007 1.7851 1.7964 9.2095 9.2140 10.0947 10.1304 10.6254 10.6618 10.7918 10.8027 k = 0.3065 0.2817 0.6683 ( 5771 PWs) bands (ev): -94.6158 -94.6158 -19.9843 -19.9843 -16.6440 -16.6363 -16.3082 -16.3046 -16.1745 -16.1662 -7.3794 -7.3787 -5.3341 -5.3185 -4.2819 -4.2772 -3.8953 -3.8817 -1.2457 -1.2320 -0.9990 -0.9923 -0.3352 -0.3237 -0.0414 -0.0390 0.5566 0.5596 1.4511 1.4610 1.6029 1.6120 1.7849 1.7962 9.2129 9.2174 10.0987 10.1343 10.6184 10.6545 10.7977 10.8087 k = 0.3145 0.2891 0.6583 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -19.9847 -19.9847 -16.6443 -16.6366 -16.3077 -16.3037 -16.1742 -16.1662 -7.3806 -7.3799 -5.3324 -5.3172 -4.2788 -4.2737 -3.8889 -3.8757 -1.2592 -1.2462 -0.9894 -0.9828 -0.3588 -0.3481 -0.0319 -0.0291 0.5560 0.5591 1.4452 1.4547 1.6142 1.6231 1.7847 1.7959 9.2170 9.2214 10.1032 10.1388 10.6105 10.6462 10.8042 10.8153 k = 0.3226 0.2965 0.6482 ( 5769 PWs) bands (ev): -94.6158 -94.6158 -19.9850 -19.9850 -16.6447 -16.6371 -16.3072 -16.3027 -16.1739 -16.1661 -7.3813 -7.3806 -5.3305 -5.3156 -4.2754 -4.2699 -3.8820 -3.8691 -1.2731 -1.2608 -0.9798 -0.9734 -0.3833 -0.3735 -0.0234 -0.0203 0.5555 0.5586 1.4397 1.4488 1.6253 1.6338 1.7845 1.7956 9.2217 9.2260 10.1081 10.1436 10.6014 10.6369 10.8115 10.8223 k = 0.3306 0.3039 0.6381 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -19.9853 -19.9853 -16.6452 -16.6377 -16.3067 -16.3017 -16.1737 -16.1662 -7.3814 -7.3808 -5.3283 -5.3138 -4.2717 -4.2658 -3.8747 -3.8622 -1.2871 -1.2753 -0.9706 -0.9646 -0.4084 -0.3993 -0.0160 -0.0127 0.5551 0.5582 1.4346 1.4434 1.6358 1.6440 1.7843 1.7953 9.2270 9.2312 10.1133 10.1488 10.5913 10.6264 10.8194 10.8301 k = 0.3387 0.3114 0.6281 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -19.9855 -19.9855 -16.6460 -16.6385 -16.3060 -16.3007 -16.1735 -16.1663 -7.3809 -7.3803 -5.3259 -5.3118 -4.2678 -4.2615 -3.8670 -3.8550 -1.3009 -1.2897 -0.9622 -0.9567 -0.4336 -0.4252 -0.0099 -0.0065 0.5546 0.5578 1.4298 1.4382 1.6458 1.6536 1.7842 1.7950 9.2329 9.2370 10.1189 10.1542 10.5799 10.6148 10.8281 10.8385 k = 0.3468 0.3188 0.6180 ( 5773 PWs) bands (ev): -94.6158 -94.6158 -19.9857 -19.9857 -16.6469 -16.6395 -16.3054 -16.2996 -16.1735 -16.1666 -7.3796 -7.3790 -5.3233 -5.3096 -4.2638 -4.2570 -3.8592 -3.8476 -1.3143 -1.3036 -0.9548 -0.9500 -0.4584 -0.4507 -0.0050 -0.0015 0.5542 0.5576 1.4254 1.4334 1.6551 1.6624 1.7841 1.7947 9.2394 9.2434 10.1247 10.1599 10.5673 10.6020 10.8374 10.8476 k = 0.3548 0.3262 0.6079 ( 5775 PWs) bands (ev): -94.6158 -94.6158 -19.9858 -19.9858 -16.6480 -16.6406 -16.3047 -16.2985 -16.1735 -16.1669 -7.3775 -7.3769 -5.3205 -5.3072 -4.2596 -4.2524 -3.8514 -3.8401 -1.3271 -1.3169 -0.9490 -0.9450 -0.4825 -0.4754 -0.0015 0.0020 0.5539 0.5574 1.4210 1.4287 1.6637 1.6705 1.7840 1.7944 9.2464 9.2504 10.1306 10.1657 10.5535 10.5879 10.8473 10.8574 k = 0.3629 0.3336 0.5979 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -19.9858 -19.9858 -16.6493 -16.6419 -16.3040 -16.2974 -16.1737 -16.1675 -7.3744 -7.3738 -5.3174 -5.3045 -4.2553 -4.2476 -3.8436 -3.8327 -1.3391 -1.3293 -0.9452 -0.9421 -0.5053 -0.4988 0.0009 0.0043 0.5535 0.5572 1.4167 1.4241 1.6715 1.6777 1.7840 1.7941 9.2540 9.2579 10.1366 10.1715 10.5385 10.5726 10.8579 10.8679 k = 0.3710 0.3410 0.5878 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9857 -19.9857 -16.6508 -16.6434 -16.3032 -16.2963 -16.1739 -16.1681 -7.3703 -7.3698 -5.3142 -5.3016 -4.2510 -4.2429 -3.8360 -3.8256 -1.3503 -1.3409 -0.9437 -0.9415 -0.5265 -0.5205 0.0020 0.0055 0.5530 0.5570 1.4122 1.4193 1.6786 1.6842 1.7839 1.7938 9.2621 9.2658 10.1426 10.1773 10.5225 10.5563 10.8689 10.8790 k = 0.3790 0.3484 0.5777 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -19.9855 -19.9855 -16.6525 -16.6451 -16.3024 -16.2952 -16.1743 -16.1689 -7.3653 -7.3647 -5.3107 -5.2985 -4.2467 -4.2381 -3.8287 -3.8187 -1.3604 -1.3514 -0.9450 -0.9435 -0.5457 -0.5398 0.0022 0.0055 0.5525 0.5568 1.4073 1.4142 1.6849 1.6900 1.7838 1.7935 9.2705 9.2742 10.1484 10.1829 10.5055 10.5390 10.8804 10.8905 k = 0.3871 0.3558 0.5676 ( 5770 PWs) bands (ev): -94.6158 -94.6158 -19.9852 -19.9852 -16.6544 -16.6469 -16.3016 -16.2941 -16.1749 -16.1699 -7.3592 -7.3587 -5.3070 -5.2950 -4.2424 -4.2333 -3.8218 -3.8122 -1.3694 -1.3607 -0.9499 -0.9480 -0.5626 -0.5566 0.0014 0.0047 0.5519 0.5565 1.4020 1.4087 1.6904 1.6951 1.7837 1.7932 9.2794 9.2830 10.1540 10.1882 10.4878 10.5209 10.8922 10.9024 k = 0.3952 0.3632 0.5576 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9848 -19.9848 -16.6564 -16.6490 -16.3007 -16.2929 -16.1756 -16.1710 -7.3521 -7.3516 -5.3030 -5.2912 -4.2382 -4.2287 -3.8155 -3.8062 -1.3771 -1.3689 -0.9581 -0.9551 -0.5770 -0.5705 -0.0001 0.0030 0.5512 0.5561 1.3959 1.4025 1.6952 1.6998 1.7836 1.7929 9.2887 9.2921 10.1593 10.1930 10.4697 10.5023 10.9042 10.9145 k = 0.4032 0.3707 0.5475 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -19.9843 -19.9843 -16.6587 -16.6512 -16.2998 -16.2917 -16.1764 -16.1722 -7.3441 -7.3436 -5.2987 -5.2871 -4.2341 -4.2241 -3.8098 -3.8009 -1.3836 -1.3757 -0.9695 -0.9652 -0.5890 -0.5818 -0.0023 0.0008 0.5503 0.5554 1.3889 1.3955 1.6994 1.7039 1.7834 1.7927 9.2982 9.3015 10.1640 10.1973 10.4513 10.4834 10.9163 10.9268 k = 0.4113 0.3781 0.5374 ( 5761 PWs) bands (ev): -94.6158 -94.6158 -19.9838 -19.9838 -16.6611 -16.6535 -16.2988 -16.2906 -16.1773 -16.1735 -7.3351 -7.3346 -5.2941 -5.2826 -4.2302 -4.2196 -3.8049 -3.7963 -1.3888 -1.3812 -0.9835 -0.9778 -0.5985 -0.5905 -0.0050 -0.0019 0.5491 0.5546 1.3808 1.3875 1.7030 1.7078 1.7833 1.7926 9.3079 9.3112 10.1682 10.2007 10.4330 10.4643 10.9283 10.9390 k = 0.4194 0.3855 0.5274 ( 5763 PWs) bands (ev): -94.6158 -94.6158 -19.9832 -19.9831 -16.6637 -16.6560 -16.2978 -16.2893 -16.1784 -16.1750 -7.3253 -7.3248 -5.2892 -5.2777 -4.2264 -4.2153 -3.8009 -3.7926 -1.3927 -1.3854 -0.9996 -0.9928 -0.6059 -0.5972 -0.0080 -0.0049 0.5477 0.5534 1.3715 1.3782 1.7062 1.7114 1.7832 1.7925 9.3178 9.3210 10.1715 10.2032 10.4152 10.4456 10.9402 10.9510 k = 0.4274 0.3929 0.5173 ( 5767 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6664 -16.6587 -16.2968 -16.2881 -16.1796 -16.1765 -7.3148 -7.3142 -5.2838 -5.2724 -4.2228 -4.2112 -3.7978 -3.7897 -1.3952 -1.3884 -1.0172 -1.0094 -0.6117 -0.6023 -0.0112 -0.0081 0.5459 0.5519 1.3609 1.3677 1.7092 1.7149 1.7831 1.7926 9.3279 9.3310 10.1739 10.2043 10.3984 10.4273 10.9518 10.9627 k = 0.4355 0.4003 0.5072 ( 5765 PWs) bands (ev): -94.6158 -94.6158 -19.9818 -19.9817 -16.6693 -16.6614 -16.2957 -16.2868 -16.1808 -16.1781 -7.3036 -7.3030 -5.2780 -5.2665 -4.2194 -4.2073 -3.7957 -3.7878 -1.3965 -1.3901 -1.0358 -1.0271 -0.6162 -0.6063 -0.0144 -0.0113 0.5438 0.5499 1.3488 1.3557 1.7120 1.7182 1.7832 1.7929 9.3380 9.3411 10.1751 10.2039 10.3828 10.4100 10.9629 10.9740 k = 0.4435 0.4077 0.4972 ( 5773 PWs) bands (ev): -94.6158 -94.6158 -19.9810 -19.9810 -16.6722 -16.6643 -16.2945 -16.2855 -16.1821 -16.1797 -7.2919 -7.2913 -5.2717 -5.2600 -4.2162 -4.2037 -3.7947 -3.7870 -1.3967 -1.3906 -1.0547 -1.0451 -0.6198 -0.6095 -0.0176 -0.0144 0.5411 0.5474 1.3352 1.3422 1.7147 1.7215 1.7834 1.7933 9.3482 9.3512 10.1751 10.2016 10.3691 10.3938 10.9734 10.9847 k = 0.4516 0.4151 0.4871 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -19.9802 -19.9802 -16.6752 -16.6672 -16.2933 -16.2842 -16.1835 -16.1814 -7.2799 -7.2792 -5.2648 -5.2529 -4.2132 -4.2002 -3.7948 -3.7872 -1.3960 -1.3902 -1.0732 -1.0629 -0.6230 -0.6124 -0.0207 -0.0173 0.5379 0.5442 1.3201 1.3273 1.7174 1.7248 1.7838 1.7938 9.3583 9.3613 10.1735 10.1974 10.3574 10.3792 10.9832 10.9947 k = 0.4597 0.4226 0.4770 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9794 -19.9794 -16.6783 -16.6702 -16.2920 -16.2828 -16.1849 -16.1831 -7.2676 -7.2670 -5.2572 -5.2451 -4.2105 -4.1970 -3.7961 -3.7886 -1.3945 -1.3891 -1.0907 -1.0797 -0.6261 -0.6152 -0.0236 -0.0200 0.5340 0.5404 1.3036 1.3109 1.7203 1.7281 1.7844 1.7946 9.3683 9.3713 10.1704 10.1911 10.3481 10.3663 10.9922 11.0039 k = 0.4677 0.4300 0.4669 ( 5760 PWs) bands (ev): -94.6158 -94.6158 -19.9787 -19.9787 -16.6813 -16.6732 -16.2907 -16.2813 -16.1863 -16.1847 -7.2554 -7.2547 -5.2490 -5.2365 -4.2080 -4.1941 -3.7986 -3.7911 -1.3926 -1.3875 -1.1065 -1.0950 -0.6293 -0.6183 -0.0261 -0.0224 0.5293 0.5357 1.2858 1.2932 1.7233 1.7315 1.7852 1.7955 9.3782 9.3812 10.1658 10.1831 10.3409 10.3553 11.0003 11.0121 k = 0.4758 0.4374 0.4569 ( 5760 PWs) bands (ev): -94.6158 -94.6158 -19.9780 -19.9780 -16.6844 -16.6762 -16.2893 -16.2798 -16.1877 -16.1862 -7.2434 -7.2427 -5.2399 -5.2271 -4.2058 -4.1914 -3.8024 -3.7948 -1.3906 -1.3857 -1.1201 -1.1080 -0.6327 -0.6217 -0.0284 -0.0244 0.5238 0.5302 1.2670 1.2744 1.7264 1.7350 1.7862 1.7966 9.3880 9.3909 10.1596 10.1738 10.3358 10.3462 11.0072 11.0192 k = 0.4839 0.4448 0.4468 ( 5754 PWs) bands (ev): -94.6158 -94.6158 -19.9774 -19.9774 -16.6873 -16.6791 -16.2878 -16.2783 -16.1890 -16.1877 -7.2318 -7.2311 -5.2300 -5.2169 -4.2038 -4.1890 -3.8073 -3.7997 -1.3888 -1.3841 -1.1309 -1.1183 -0.6366 -0.6255 -0.0304 -0.0261 0.5172 0.5236 1.2472 1.2547 1.7297 1.7385 1.7875 1.7979 9.3975 9.4005 10.1520 10.1637 10.3323 10.3389 11.0131 11.0251 k = 0.4919 0.4522 0.4367 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -19.9769 -19.9769 -16.6901 -16.6819 -16.2862 -16.2767 -16.1903 -16.1891 -7.2208 -7.2200 -5.2192 -5.2057 -4.2021 -4.1869 -3.8135 -3.8059 -1.3877 -1.3830 -1.1382 -1.1251 -0.6409 -0.6299 -0.0321 -0.0274 0.5095 0.5158 1.2268 1.2343 1.7330 1.7421 1.7890 1.7994 9.4068 9.4098 10.1432 10.1533 10.3301 10.3333 11.0176 11.0298 k = 0.5000 0.4596 0.4267 ( 5748 PWs) bands (ev): -94.6158 -94.6158 -19.9765 -19.9765 -16.6928 -16.6846 -16.2846 -16.2750 -16.1916 -16.1903 -7.2105 -7.2098 -5.2073 -5.1935 -4.2007 -4.1851 -3.8210 -3.8132 -1.3875 -1.3826 -1.1417 -1.1283 -0.6458 -0.6349 -0.0335 -0.0284 0.5005 0.5067 1.2060 1.2135 1.7365 1.7458 1.7906 1.8010 9.4158 9.4189 10.1337 10.1432 10.3283 10.3296 11.0208 11.0331 k = 0.5000 0.4596 0.4267 ( 5748 PWs) bands (ev): -94.6158 -94.6158 -19.9765 -19.9765 -16.6928 -16.6846 -16.2846 -16.2750 -16.1916 -16.1903 -7.2105 -7.2098 -5.2073 -5.1935 -4.2007 -4.1851 -3.8210 -3.8132 -1.3875 -1.3826 -1.1417 -1.1283 -0.6458 -0.6349 -0.0335 -0.0284 0.5005 0.5067 1.2060 1.2135 1.7365 1.7458 1.7906 1.8010 9.4158 9.4189 10.1337 10.1432 10.3283 10.3296 11.0208 11.0331 k = 0.5000 0.4596 0.4120 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9761 -19.9760 -16.6966 -16.6883 -16.2820 -16.2724 -16.1933 -16.1921 -7.1963 -7.1955 -5.1893 -5.1750 -4.1985 -4.1824 -3.8328 -3.8248 -1.3872 -1.3820 -1.1433 -1.1296 -0.6532 -0.6425 -0.0362 -0.0305 0.4853 0.4914 1.1756 1.1832 1.7418 1.7512 1.7934 1.8036 9.4288 9.4320 10.1197 10.1291 10.3248 10.3262 11.0240 11.0365 k = 0.5000 0.4596 0.3972 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -19.9756 -19.9756 -16.7004 -16.6922 -16.2794 -16.2699 -16.1951 -16.1939 -7.1821 -7.1813 -5.1713 -5.1565 -4.1960 -4.1794 -3.8446 -3.8366 -1.3857 -1.3803 -1.1440 -1.1300 -0.6604 -0.6500 -0.0406 -0.0344 0.4678 0.4738 1.1457 1.1532 1.7474 1.7568 1.7967 1.8067 9.4422 9.4455 10.1065 10.1158 10.3210 10.3227 11.0265 11.0391 k = 0.5000 0.4596 0.3825 ( 5744 PWs) bands (ev): -94.6158 -94.6158 -19.9752 -19.9751 -16.7042 -16.6961 -16.2768 -16.2673 -16.1969 -16.1956 -7.1679 -7.1671 -5.1532 -5.1380 -4.1930 -4.1760 -3.8565 -3.8483 -1.3829 -1.3773 -1.1436 -1.1293 -0.6675 -0.6573 -0.0467 -0.0399 0.4479 0.4538 1.1163 1.1238 1.7533 1.7627 1.8005 1.8103 9.4559 9.4592 10.0941 10.1034 10.3169 10.3188 11.0282 11.0409 k = 0.5000 0.4596 0.3678 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -19.9747 -19.9747 -16.7081 -16.7001 -16.2740 -16.2646 -16.1986 -16.1973 -7.1539 -7.1531 -5.1354 -5.1198 -4.1895 -4.1721 -3.8684 -3.8601 -1.3787 -1.3729 -1.1422 -1.1277 -0.6745 -0.6645 -0.0545 -0.0471 0.4255 0.4312 1.0877 1.0952 1.7594 1.7687 1.8047 1.8142 9.4698 9.4733 10.0828 10.0919 10.3123 10.3146 11.0291 11.0419 k = 0.5000 0.4596 0.3531 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -19.9743 -19.9743 -16.7119 -16.7041 -16.2713 -16.2620 -16.2003 -16.1990 -7.1401 -7.1393 -5.1178 -5.1019 -4.1856 -4.1678 -3.8802 -3.8719 -1.3730 -1.3670 -1.1397 -1.1249 -0.6813 -0.6717 -0.0639 -0.0561 0.4005 0.4061 1.0601 1.0675 1.7659 1.7750 1.8093 1.8185 9.4841 9.4876 10.0725 10.0815 10.3073 10.3099 11.0291 11.0419 k = 0.5000 0.4596 0.3384 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -19.9739 -19.9738 -16.7157 -16.7081 -16.2685 -16.2593 -16.2019 -16.2007 -7.1266 -7.1257 -5.1006 -5.0844 -4.1811 -4.1631 -3.8918 -3.8835 -1.3657 -1.3596 -1.1361 -1.1211 -0.6881 -0.6787 -0.0750 -0.0666 0.3730 0.3783 1.0335 1.0408 1.7726 1.7816 1.8142 1.8231 9.4987 9.5023 10.0633 10.0723 10.3017 10.3047 11.0282 11.0410 k = 0.5000 0.4596 0.3237 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9735 -19.9734 -16.7195 -16.7121 -16.2656 -16.2567 -16.2036 -16.2024 -7.1133 -7.1125 -5.0837 -5.0674 -4.1761 -4.1580 -3.9032 -3.8949 -1.3569 -1.3506 -1.1315 -1.1163 -0.6948 -0.6857 -0.0877 -0.0789 0.3429 0.3480 1.0081 1.0153 1.7797 1.7884 1.8195 1.8279 9.5137 9.5173 10.0552 10.0641 10.2956 10.2989 11.0263 11.0392 k = 0.5000 0.4596 0.3090 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -19.9731 -19.9730 -16.7233 -16.7161 -16.2628 -16.2541 -16.2051 -16.2039 -7.1005 -7.0997 -5.0674 -5.0510 -4.1706 -4.1524 -3.9144 -3.9062 -1.3463 -1.3398 -1.1257 -1.1103 -0.7013 -0.6925 -0.1020 -0.0928 0.3103 0.3152 0.9841 0.9911 1.7870 1.7954 1.8249 1.8329 9.5290 9.5327 10.0483 10.0571 10.2889 10.2926 11.0235 11.0363 k = 0.5000 0.4596 0.2943 ( 5764 PWs) bands (ev): -94.6158 -94.6158 -19.9727 -19.9726 -16.7270 -16.7200 -16.2600 -16.2515 -16.2067 -16.2055 -7.0881 -7.0872 -5.0517 -5.0353 -4.1645 -4.1463 -3.9252 -3.9172 -1.3339 -1.3274 -1.1188 -1.1033 -0.7077 -0.6992 -0.1179 -0.1082 0.2754 0.2800 0.9614 0.9682 1.7945 1.8027 1.8305 1.8381 9.5447 9.5484 10.0425 10.0512 10.2816 10.2856 11.0198 11.0325 k = 0.5000 0.4596 0.2795 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9723 -19.9723 -16.7306 -16.7238 -16.2572 -16.2490 -16.2081 -16.2070 -7.0761 -7.0753 -5.0366 -5.0203 -4.1580 -4.1399 -3.9358 -3.9278 -1.3199 -1.3132 -1.1109 -1.0952 -0.7139 -0.7057 -0.1353 -0.1253 0.2383 0.2426 0.9400 0.9466 1.8022 1.8101 1.8362 1.8434 9.5607 9.5644 10.0379 10.0465 10.2736 10.2779 11.0152 11.0278 k = 0.5000 0.4596 0.2648 ( 5766 PWs) bands (ev): -94.6158 -94.6158 -19.9719 -19.9719 -16.7341 -16.7276 -16.2545 -16.2465 -16.2095 -16.2084 -7.0646 -7.0638 -5.0222 -5.0060 -4.1511 -4.1332 -3.9459 -3.9381 -1.3040 -1.2972 -1.1019 -1.0860 -0.7198 -0.7120 -0.1541 -0.1438 0.1991 0.2032 0.9201 0.9265 1.8101 1.8176 1.8419 1.8488 9.5771 9.5809 10.0344 10.0428 10.2650 10.2696 11.0097 11.0222 k = 0.5000 0.4596 0.2501 ( 5758 PWs) bands (ev): -94.6158 -94.6158 -19.9716 -19.9715 -16.7375 -16.7313 -16.2518 -16.2442 -16.2109 -16.2098 -7.0536 -7.0529 -5.0086 -4.9927 -4.1437 -4.1261 -3.9556 -3.9480 -1.2864 -1.2795 -1.0918 -1.0758 -0.7255 -0.7180 -0.1744 -0.1638 0.1581 0.1619 0.9015 0.9077 1.8180 1.8252 1.8476 1.8541 9.5939 9.5977 10.0320 10.0402 10.2557 10.2605 11.0035 11.0157 k = 0.5000 0.4596 0.2354 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -19.9712 -19.9712 -16.7407 -16.7349 -16.2492 -16.2419 -16.2121 -16.2110 -7.0432 -7.0425 -4.9957 -4.9802 -4.1360 -4.1188 -3.9648 -3.9575 -1.2669 -1.2599 -1.0807 -1.0646 -0.7309 -0.7237 -0.1960 -0.1851 0.1154 0.1190 0.8844 0.8902 1.8259 1.8328 1.8533 1.8594 9.6110 9.6148 10.0305 10.0386 10.2458 10.2508 10.9965 11.0085 k = 0.5000 0.4596 0.2207 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -19.9709 -19.9709 -16.7439 -16.7383 -16.2467 -16.2397 -16.2133 -16.2122 -7.0334 -7.0327 -4.9837 -4.9686 -4.1280 -4.1112 -3.9735 -3.9665 -1.2458 -1.2387 -1.0686 -1.0525 -0.7358 -0.7290 -0.2188 -0.2077 0.0713 0.0747 0.8685 0.8741 1.8337 1.8403 1.8589 1.8647 9.6285 9.6323 10.0300 10.0380 10.2352 10.2404 10.9889 11.0006 k = 0.5000 0.4596 0.2060 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -19.9706 -19.9706 -16.7469 -16.7416 -16.2443 -16.2376 -16.2144 -16.2134 -7.0242 -7.0235 -4.9725 -4.9580 -4.1199 -4.1036 -3.9817 -3.9750 -1.2229 -1.2157 -1.0556 -1.0395 -0.7403 -0.7338 -0.2427 -0.2315 0.0260 0.0292 0.8540 0.8592 1.8414 1.8476 1.8644 1.8698 9.6463 9.6501 10.0304 10.0381 10.2239 10.2293 10.9808 10.9921 k = 0.5000 0.4596 0.1913 ( 5748 PWs) bands (ev): -94.6158 -94.6158 -19.9703 -19.9703 -16.7497 -16.7448 -16.2420 -16.2356 -16.2154 -16.2144 -7.0156 -7.0149 -4.9622 -4.9483 -4.1116 -4.0960 -3.9894 -3.9830 -1.1983 -1.1910 -1.0417 -1.0257 -0.7442 -0.7380 -0.2676 -0.2563 -0.0202 -0.0173 0.8407 0.8456 1.8489 1.8548 1.8697 1.8747 9.6644 9.6682 10.0316 10.0390 10.2121 10.2176 10.9723 10.9832 k = 0.5000 0.4596 0.1766 ( 5752 PWs) bands (ev): -94.6158 -94.6158 -19.9701 -19.9701 -16.7523 -16.7478 -16.2398 -16.2338 -16.2163 -16.2153 -7.0076 -7.0070 -4.9527 -4.9395 -4.1033 -4.0885 -3.9964 -3.9904 -1.1722 -1.1648 -1.0272 -1.0112 -0.7473 -0.7416 -0.2933 -0.2820 -0.0672 -0.0645 0.8286 0.8332 1.8561 1.8616 1.8748 1.8795 9.6827 9.6865 10.0333 10.0406 10.1997 10.2053 10.9636 10.9740 k = 0.5000 0.4596 0.1618 ( 5758 PWs) bands (ev): -94.6158 -94.6158 -19.9698 -19.9698 -16.7548 -16.7506 -16.2378 -16.2322 -16.2171 -16.2161 -7.0002 -6.9997 -4.9440 -4.9317 -4.0952 -4.0812 -4.0029 -3.9972 -1.1446 -1.1371 -1.0120 -0.9963 -0.7496 -0.7443 -0.3197 -0.3084 -0.1147 -0.1122 0.8177 0.8219 1.8630 1.8681 1.8797 1.8840 9.7011 9.7049 10.0357 10.0426 10.1868 10.1924 10.9548 10.9646 k = 0.5000 0.4596 0.1471 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -19.9696 -19.9696 -16.7570 -16.7532 -16.2360 -16.2307 -16.2177 -16.2168 -6.9935 -6.9930 -4.9361 -4.9247 -4.0873 -4.0742 -4.0087 -4.0034 -1.1157 -1.1081 -0.9964 -0.9810 -0.7507 -0.7460 -0.3466 -0.3354 -0.1625 -0.1602 0.8079 0.8117 1.8694 1.8742 1.8843 1.8883 9.7197 9.7235 10.0384 10.0451 10.1735 10.1791 10.9461 10.9552 k = 0.5000 0.4596 0.1324 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9694 -19.9694 -16.7591 -16.7556 -16.2343 -16.2295 -16.2183 -16.2174 -6.9875 -6.9870 -4.9290 -4.9186 -4.0798 -4.0676 -4.0138 -4.0091 -1.0856 -1.0779 -0.9806 -0.9658 -0.7505 -0.7465 -0.3737 -0.3627 -0.2103 -0.2082 0.7992 0.8027 1.8754 1.8798 1.8887 1.8923 9.7382 9.7419 10.0414 10.0477 10.1599 10.1654 10.9375 10.9460 k = 0.5000 0.4596 0.1177 ( 5750 PWs) bands (ev): -94.6158 -94.6158 -19.9692 -19.9692 -16.7610 -16.7579 -16.2328 -16.2285 -16.2186 -16.2179 -6.9820 -6.9816 -4.9227 -4.9133 -4.0728 -4.0616 -4.0183 -4.0140 -1.0547 -1.0468 -0.9650 -0.9509 -0.7487 -0.7455 -0.4009 -0.3902 -0.2579 -0.2560 0.7915 0.7946 1.8809 1.8848 1.8929 1.8960 9.7565 9.7602 10.0446 10.0505 10.1461 10.1516 10.9294 10.9372 k = 0.5000 0.4596 0.1030 ( 5756 PWs) bands (ev): -94.6158 -94.6158 -19.9691 -19.9691 -16.7626 -16.7599 -16.2315 -16.2278 -16.2189 -16.2182 -6.9773 -6.9769 -4.9172 -4.9088 -4.0664 -4.0564 -4.0220 -4.0182 -1.0233 -1.0152 -0.9497 -0.9368 -0.7448 -0.7426 -0.4278 -0.4174 -0.3049 -0.3032 0.7848 0.7876 1.8858 1.8893 1.8967 1.8994 9.7745 9.7780 10.0476 10.0531 10.1325 10.1378 10.9218 10.9288 k = 0.5000 0.4596 0.0883 ( 5750 PWs) bands (ev): -94.6158 -94.6158 -19.9690 -19.9689 -16.7640 -16.7616 -16.2304 -16.2273 -16.2189 -16.2184 -6.9731 -6.9728 -4.9124 -4.9051 -4.0608 -4.0520 -4.0248 -4.0217 -0.9919 -0.9837 -0.9351 -0.9237 -0.7385 -0.7374 -0.4540 -0.4441 -0.3510 -0.3495 0.7792 0.7815 1.8901 1.8931 1.9002 1.9024 9.7918 9.7952 10.0504 10.0554 10.1192 10.1243 10.9149 10.9210 k = 0.5000 0.4596 0.0736 ( 5750 PWs) bands (ev): -94.6158 -94.6158 -19.9688 -19.9688 -16.7651 -16.7632 -16.2295 -16.2270 -16.2189 -16.2185 -6.9696 -6.9693 -4.9082 -4.9021 -4.0561 -4.0487 -4.0268 -4.0243 -0.9617 -0.9532 -0.9213 -0.9120 -0.7298 -0.7293 -0.4790 -0.4698 -0.3958 -0.3944 0.7745 0.7764 1.8938 1.8962 1.9033 1.9050 9.8082 9.8114 10.0527 10.0571 10.1068 10.1115 10.9089 10.9141 k = 0.5000 0.4596 0.0589 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9687 -19.9687 -16.7661 -16.7645 -16.2288 -16.2269 -16.2187 -16.2186 -6.9668 -6.9665 -4.9048 -4.8998 -4.0524 -4.0466 -4.0278 -4.0261 -0.9348 -0.9263 -0.9070 -0.9008 -0.7192 -0.7175 -0.5022 -0.4939 -0.4386 -0.4371 0.7707 0.7722 1.8968 1.8987 1.9059 1.9072 9.8233 9.8261 10.0541 10.0579 10.0961 10.1001 10.9038 10.9081 k = 0.5000 0.4596 0.0441 ( 5742 PWs) bands (ev): -94.6158 -94.6158 -19.9687 -19.9687 -16.7667 -16.7656 -16.2283 -16.2269 -16.2186 -16.2185 -6.9645 -6.9643 -4.9019 -4.8982 -4.0498 -4.0456 -4.0280 -4.0270 -0.9154 -0.9084 -0.8891 -0.8868 -0.7058 -0.7032 -0.5226 -0.5155 -0.4782 -0.4765 0.7678 0.7690 1.8992 1.9006 1.9081 1.9090 9.8363 9.8387 10.0544 10.0574 10.0878 10.0909 10.8999 10.9031 k = 0.5000 0.4596 0.0294 ( 5750 PWs) bands (ev): -94.6158 -94.6158 -19.9686 -19.9686 -16.7672 -16.7664 -16.2279 -16.2269 -16.2184 -16.2184 -6.9629 -6.9628 -4.8998 -4.8973 -4.0481 -4.0454 -4.0278 -4.0272 -0.9047 -0.9001 -0.8711 -0.8690 -0.6905 -0.6875 -0.5394 -0.5338 -0.5125 -0.5106 0.7658 0.7666 1.9010 1.9019 1.9097 1.9102 9.8467 9.8484 10.0535 10.0554 10.0826 10.0846 10.8972 10.8994 k = 0.5000 0.4596 0.0147 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9686 -19.9686 -16.7673 -16.7670 -16.2276 -16.2271 -16.2184 -16.2184 -6.9620 -6.9619 -4.8982 -4.8970 -4.0470 -4.0457 -4.0275 -4.0272 -0.8991 -0.8968 -0.8574 -0.8559 -0.6760 -0.6738 -0.5518 -0.5485 -0.5360 -0.5345 0.7647 0.7651 1.9021 1.9025 1.9107 1.9110 9.8536 9.8545 10.0522 10.0531 10.0803 10.0811 10.8958 10.8969 k = 0.5000 0.4596 0.0000 ( 5746 PWs) bands (ev): -94.6158 -94.6158 -19.9686 -19.9686 -16.7673 -16.7673 -16.2273 -16.2273 -16.2183 -16.2183 -6.9616 -6.9616 -4.8973 -4.8973 -4.0463 -4.0463 -4.0272 -4.0272 -0.8966 -0.8966 -0.8517 -0.8517 -0.6686 -0.6686 -0.5568 -0.5568 -0.5429 -0.5429 0.7644 0.7644 1.9026 1.9026 1.9111 1.9111 9.8563 9.8563 10.0518 10.0518 10.0799 10.0799 10.8956 10.8956 k = 0.0000 0.0000 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6438 -16.6438 -16.3078 -16.3078 -16.1672 -16.1672 -7.4001 -7.4001 -5.4368 -5.4368 -4.2001 -4.2001 -3.6712 -3.6712 -1.3166 -1.3166 -1.0352 -1.0352 -0.3811 -0.3811 -0.2833 -0.2833 0.5728 0.5728 1.6527 1.6527 1.6785 1.6785 1.7731 1.7731 9.2510 9.2510 10.3273 10.3273 10.4497 10.4497 10.9231 10.9231 k = 0.0109 0.0100 0.7388 ( 5774 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6441 -16.6435 -16.3078 -16.3078 -16.1675 -16.1669 -7.4000 -7.3999 -5.4369 -5.4359 -4.2007 -4.2005 -3.6727 -3.6719 -1.3165 -1.3153 -1.0354 -1.0350 -0.3811 -0.3799 -0.2827 -0.2823 0.5727 0.5728 1.6522 1.6523 1.6768 1.6783 1.7724 1.7744 9.2506 9.2509 10.3191 10.3299 10.4470 10.4578 10.9223 10.9224 k = 0.0217 0.0200 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6443 -16.6432 -16.3078 -16.3078 -16.1679 -16.1667 -7.3996 -7.3995 -5.4361 -5.4341 -4.2020 -4.2017 -3.6765 -3.6749 -1.3149 -1.3125 -1.0357 -1.0347 -0.3800 -0.3776 -0.2804 -0.2796 0.5725 0.5728 1.6506 1.6508 1.6735 1.6763 1.7721 1.7760 9.2497 9.2504 10.3072 10.3265 10.4503 10.4696 10.9199 10.9202 k = 0.0326 0.0300 0.7388 ( 5788 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6445 -16.6428 -16.3079 -16.3078 -16.1683 -16.1665 -7.3990 -7.3988 -5.4344 -5.4314 -4.2042 -4.2037 -3.6824 -3.6800 -1.3120 -1.3083 -1.0359 -1.0345 -0.3777 -0.3741 -0.2765 -0.2753 0.5722 0.5726 1.6480 1.6485 1.6688 1.6726 1.7724 1.7779 9.2485 9.2494 10.2930 10.3179 10.4588 10.4836 10.9160 10.9165 k = 0.0435 0.0400 0.7388 ( 5786 PWs) bands (ev): -94.6158 -94.6158 -19.9826 -19.9826 -16.6446 -16.6425 -16.3079 -16.3078 -16.1687 -16.1663 -7.3981 -7.3979 -5.4318 -5.4279 -4.2072 -4.2065 -3.6904 -3.6871 -1.3077 -1.3029 -1.0362 -1.0342 -0.3743 -0.3695 -0.2711 -0.2695 0.5719 0.5724 1.6444 1.6452 1.6628 1.6672 1.7730 1.7799 9.2468 9.2481 10.2776 10.3059 10.4705 10.4988 10.9108 10.9114 k = 0.0543 0.0500 0.7388 ( 5788 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6447 -16.6421 -16.3080 -16.3078 -16.1692 -16.1662 -7.3969 -7.3967 -5.4285 -5.4236 -4.2109 -4.2100 -3.7003 -3.6962 -1.3023 -1.2963 -1.0364 -1.0340 -0.3698 -0.3638 -0.2642 -0.2623 0.5714 0.5720 1.6396 1.6411 1.6560 1.6603 1.7739 1.7820 9.2447 9.2463 10.2615 10.2921 10.4840 10.5145 10.9044 10.9051 k = 0.0652 0.0600 0.7388 ( 5788 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6448 -16.6416 -16.3080 -16.3079 -16.1696 -16.1661 -7.3956 -7.3953 -5.4244 -5.4186 -4.2153 -4.2142 -3.7119 -3.7069 -1.2959 -1.2887 -1.0366 -1.0338 -0.3643 -0.3571 -0.2559 -0.2537 0.5709 0.5716 1.6336 1.6361 1.6485 1.6522 1.7751 1.7840 9.2424 9.2442 10.2453 10.2773 10.4984 10.5303 10.8969 10.8977 k = 0.0761 0.0699 0.7388 ( 5782 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6449 -16.6412 -16.3081 -16.3079 -16.1701 -16.1661 -7.3941 -7.3937 -5.4197 -5.4129 -4.2202 -4.2190 -3.7250 -3.7192 -1.2886 -1.2803 -1.0367 -1.0336 -0.3578 -0.3494 -0.2465 -0.2439 0.5703 0.5712 1.6262 1.6304 1.6408 1.6430 1.7763 1.7858 9.2397 9.2418 10.2292 10.2622 10.5131 10.5460 10.8884 10.8894 k = 0.0870 0.0799 0.7388 ( 5786 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6449 -16.6408 -16.3082 -16.3080 -16.1707 -16.1661 -7.3924 -7.3920 -5.4144 -5.4066 -4.2256 -4.2242 -3.7394 -3.7328 -1.2807 -1.2713 -1.0369 -1.0334 -0.3504 -0.3409 -0.2360 -0.2332 0.5696 0.5707 1.6175 1.6239 1.6330 1.6331 1.7775 1.7876 9.2367 9.2391 10.2135 10.2471 10.5276 10.5612 10.8792 10.8804 k = 0.0978 0.0899 0.7388 ( 5778 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6449 -16.6403 -16.3083 -16.3080 -16.1712 -16.1661 -7.3905 -7.3901 -5.4085 -5.3999 -4.2314 -4.2299 -3.7547 -3.7473 -1.2723 -1.2619 -1.0371 -1.0332 -0.3423 -0.3317 -0.2246 -0.2216 0.5689 0.5701 1.6076 1.6164 1.6230 1.6254 1.7787 1.7891 9.2336 9.2362 10.1982 10.2323 10.5418 10.5760 10.8696 10.8709 k = 0.1087 0.0999 0.7388 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6449 -16.6399 -16.3084 -16.3081 -16.1717 -16.1661 -7.3886 -7.3882 -5.4022 -5.3927 -4.2375 -4.2358 -3.7708 -3.7626 -1.2636 -1.2522 -1.0372 -1.0330 -0.3334 -0.3218 -0.2126 -0.2093 0.5681 0.5694 1.5969 1.6073 1.6135 1.6177 1.7798 1.7905 9.2303 9.2332 10.1835 10.2180 10.5555 10.5901 10.8595 10.8611 k = 0.1196 0.1099 0.7388 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -19.9825 -19.9825 -16.6449 -16.6394 -16.3085 -16.3082 -16.1722 -16.1662 -7.3866 -7.3861 -5.3957 -5.3852 -4.2437 -4.2419 -3.7874 -3.7784 -1.2549 -1.2426 -1.0373 -1.0328 -0.3241 -0.3114 -0.2002 -0.1967 0.5673 0.5688 1.5856 1.5966 1.6050 1.6100 1.7808 1.7917 9.2269 9.2301 10.1696 10.2043 10.5685 10.6035 10.8494 10.8511 k = 0.1304 0.1199 0.7388 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6449 -16.6390 -16.3086 -16.3082 -16.1728 -16.1663 -7.3846 -7.3841 -5.3889 -5.3776 -4.2500 -4.2480 -3.8040 -3.7943 -1.2462 -1.2330 -1.0374 -1.0327 -0.3143 -0.3008 -0.1875 -0.1839 0.5664 0.5681 1.5741 1.5852 1.5970 1.6023 1.7817 1.7928 9.2236 9.2270 10.1565 10.1914 10.5807 10.6161 10.8393 10.8412 k = 0.1413 0.1299 0.7388 ( 5784 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6448 -16.6386 -16.3087 -16.3083 -16.1733 -16.1664 -7.3826 -7.3821 -5.3821 -5.3699 -4.2561 -4.2541 -3.8205 -3.8101 -1.2379 -1.2238 -1.0374 -1.0326 -0.3044 -0.2900 -0.1748 -0.1711 0.5655 0.5673 1.5626 1.5736 1.5892 1.5947 1.7825 1.7937 9.2202 9.2238 10.1442 10.1794 10.5920 10.6277 10.8295 10.8316 k = 0.1522 0.1399 0.7388 ( 5780 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6448 -16.6382 -16.3088 -16.3084 -16.1737 -16.1665 -7.3807 -7.3801 -5.3754 -5.3624 -4.2621 -4.2600 -3.8366 -3.8254 -1.2299 -1.2151 -1.0375 -1.0324 -0.2946 -0.2793 -0.1624 -0.1585 0.5646 0.5666 1.5514 1.5621 1.5817 1.5872 1.7832 1.7945 9.2170 9.2208 10.1330 10.1683 10.6024 10.6384 10.8201 10.8225 k = 0.1630 0.1499 0.7388 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6447 -16.6378 -16.3088 -16.3085 -16.1742 -16.1666 -7.3788 -7.3782 -5.3689 -5.3551 -4.2678 -4.2656 -3.8519 -3.8400 -1.2224 -1.2070 -1.0375 -1.0323 -0.2849 -0.2689 -0.1505 -0.1465 0.5638 0.5659 1.5406 1.5511 1.5744 1.5801 1.7839 1.7952 9.2139 9.2179 10.1227 10.1582 10.6118 10.6481 10.8113 10.8139 k = 0.1739 0.1599 0.7388 ( 5762 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6446 -16.6374 -16.3089 -16.3085 -16.1746 -16.1667 -7.3771 -7.3765 -5.3627 -5.3483 -4.2731 -4.2708 -3.8662 -3.8537 -1.2156 -1.1996 -1.0375 -1.0322 -0.2757 -0.2590 -0.1392 -0.1353 0.5629 0.5652 1.5304 1.5408 1.5676 1.5734 1.7844 1.7957 9.2111 9.2153 10.1136 10.1492 10.6201 10.6567 10.8032 10.8060 k = 0.1848 0.1699 0.7388 ( 5768 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9824 -16.6446 -16.6371 -16.3090 -16.3086 -16.1749 -16.1668 -7.3755 -7.3749 -5.3570 -5.3419 -4.2779 -4.2756 -3.8791 -3.8661 -1.2096 -1.1930 -1.0376 -1.0321 -0.2672 -0.2499 -0.1290 -0.1250 0.5622 0.5646 1.5211 1.5313 1.5614 1.5673 1.7848 1.7962 9.2085 9.2128 10.1056 10.1412 10.6273 10.6643 10.7959 10.7990 k = 0.1957 0.1799 0.7388 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9823 -16.6445 -16.6369 -16.3091 -16.3086 -16.1753 -16.1669 -7.3741 -7.3734 -5.3519 -5.3363 -4.2821 -4.2797 -3.8906 -3.8771 -1.2044 -1.1874 -1.0376 -1.0321 -0.2595 -0.2418 -0.1199 -0.1158 0.5615 0.5640 1.5128 1.5229 1.5558 1.5619 1.7851 1.7965 9.2063 9.2107 10.0987 10.1345 10.6334 10.6707 10.7895 10.7929 k = 0.2065 0.1898 0.7388 ( 5772 PWs) bands (ev): -94.6158 -94.6158 -19.9824 -19.9823 -16.6444 -16.6366 -16.3091 -16.3087 -16.1755 -16.1669 -7.3730 -7.3723 -5.3476 -5.3315 -4.2857 -4.2832 -3.9003 -3.8863 -1.2000 -1.1826 -1.0376 -1.0320 -0.2529 -0.2348 -0.1122 -0.1081 0.5608 0.5635 1.5058 1.5158 1.5511 1.5573 1.7854 1.7968 9.2043 9.2089 10.0931 10.1289 10.6384 10.6760 10.7842 10.7879 k = 0.2174 0.1998 0.7388 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9823 -19.9823 -16.6444 -16.6365 -16.3091 -16.3087 -16.1757 -16.1670 -7.3720 -7.3713 -5.3441 -5.3277 -4.2885 -4.2860 -3.9080 -3.8937 -1.1966 -1.1789 -1.0376 -1.0320 -0.2476 -0.2292 -0.1060 -0.1019 0.5603 0.5631 1.5002 1.5101 1.5473 1.5536 1.7856 1.7970 9.2028 9.2074 10.0887 10.1245 10.6423 10.6802 10.7800 10.7839 k = 0.2283 0.2098 0.7388 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9823 -19.9823 -16.6444 -16.6363 -16.3092 -16.3087 -16.1759 -16.1670 -7.3713 -7.3706 -5.3416 -5.3248 -4.2906 -4.2881 -3.9136 -3.8991 -1.1941 -1.1762 -1.0376 -1.0319 -0.2437 -0.2250 -0.1015 -0.0973 0.5600 0.5628 1.4961 1.5059 1.5446 1.5509 1.7858 1.7972 9.2017 9.2064 10.0855 10.1214 10.6451 10.6831 10.7769 10.7810 k = 0.2391 0.2198 0.7388 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9823 -19.9823 -16.6443 -16.6362 -16.3092 -16.3087 -16.1760 -16.1671 -7.3709 -7.3702 -5.3400 -5.3231 -4.2918 -4.2893 -3.9171 -3.9024 -1.1926 -1.1746 -1.0376 -1.0319 -0.2413 -0.2225 -0.0987 -0.0946 0.5597 0.5626 1.4936 1.5033 1.5429 1.5492 1.7859 1.7973 9.2010 9.2057 10.0836 10.1195 10.6467 10.6849 10.7751 10.7793 k = 0.2500 0.2298 0.7388 ( 5776 PWs) bands (ev): -94.6158 -94.6158 -19.9823 -19.9823 -16.6443 -16.6362 -16.3092 -16.3087 -16.1760 -16.1671 -7.3708 -7.3700 -5.3395 -5.3225 -4.2922 -4.2897 -3.9182 -3.9035 -1.1921 -1.1741 -1.0376 -1.0319 -0.2405 -0.2217 -0.0978 -0.0937 0.5597 0.5626 1.4927 1.5025 1.5423 1.5487 1.7859 1.7973 9.2008 9.2055 10.0830 10.1188 10.6473 10.6855 10.7745 10.7787 Writing output data file BeSO4.save init_run : 4.46s CPU 11.63s WALL ( 1 calls) electrons : 950.22s CPU 961.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.39s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 950.20s CPU 960.83s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.66s WALL ( 1 calls) newd : 0.53s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 367 calls) cegterg : 865.73s CPU 872.18s WALL ( 737 calls) Called by sum_band: Called by *egterg: h_psi : 613.20s CPU 622.73s WALL ( 11278 calls) s_psi : 23.85s CPU 24.21s WALL ( 11278 calls) g_psi : 1.21s CPU 1.23s WALL ( 10174 calls) cdiaghg : 140.51s CPU 138.87s WALL ( 10541 calls) cegterg:over : 63.76s CPU 60.40s WALL ( 10174 calls) cegterg:upda : 14.49s CPU 17.55s WALL ( 10174 calls) cegterg:last : 14.85s CPU 16.11s WALL ( 3107 calls) Called by h_psi: h_psi:vloc : 556.44s CPU 564.06s WALL ( 11278 calls) h_psi:vnl : 56.32s CPU 57.59s WALL ( 11278 calls) add_vuspsi : 15.30s CPU 19.65s WALL ( 11278 calls) General routines calbec : 40.97s CPU 37.78s WALL ( 11278 calls) fft : 0.40s CPU 1.07s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 511.22s CPU 515.06s WALL ( 1510856 calls) interpolate : 0.05s CPU 0.06s WALL ( 4 calls) davcio : 0.04s CPU 3.60s WALL ( 734 calls) Parallel routines fft_scatter : 290.06s CPU 291.72s WALL ( 1510879 calls) PWSCF : 17m 7.79s CPU 19m41.41s WALL This run was terminated on: 6:59:19 18Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=