Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:30:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hf2Hg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 88 40 12 1725 536 90 Max 89 41 13 1727 545 91 Sum 3203 1469 449 62143 19443 3251 bravais-lattice index = 14 lattice parameter (alat) = 11.7458 a.u. unit-cell volume = 434.0158 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.745831 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.855192 celldm(5)= -0.855192 celldm(6)= 0.710384 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.710384 0.703814 0.000000 ) a(3) = ( -0.855192 -0.351907 0.380536 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.009335 1.313935 ) b(2) = ( 0.000000 1.420830 1.313935 ) b(3) = ( 0.000000 0.000000 2.627870 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Hg 12.00 200.59000 Hg( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 401 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0000000 0.0000000 0.0196110), wk = 0.0024938 k( 3) = ( 0.0000000 0.0000000 0.0392219), wk = 0.0024938 k( 4) = ( 0.0000000 0.0000000 0.0588329), wk = 0.0024938 k( 5) = ( 0.0000000 0.0000000 0.0784439), wk = 0.0024938 k( 6) = ( 0.0000000 0.0000000 0.0980548), wk = 0.0024938 k( 7) = ( 0.0000000 0.0000000 0.1176658), wk = 0.0024938 k( 8) = ( 0.0000000 0.0000000 0.1372768), wk = 0.0024938 k( 9) = ( 0.0000000 0.0000000 0.1568877), wk = 0.0024938 k( 10) = ( 0.0000000 0.0000000 0.1764987), wk = 0.0024938 k( 11) = ( 0.0000000 0.0000000 0.1961097), wk = 0.0024938 k( 12) = ( 0.0000000 0.0000000 0.2157206), wk = 0.0024938 k( 13) = ( 0.0000000 0.0000000 0.2353316), wk = 0.0024938 k( 14) = ( 0.0000000 0.0000000 0.2549426), wk = 0.0024938 k( 15) = ( 0.0000000 0.0000000 0.2745535), wk = 0.0024938 k( 16) = ( 0.0000000 0.0000000 0.2941645), wk = 0.0024938 k( 17) = ( 0.0000000 0.0000000 0.3137755), wk = 0.0024938 k( 18) = ( 0.0000000 0.0000000 0.3333864), wk = 0.0024938 k( 19) = ( 0.0000000 0.0000000 0.3529974), wk = 0.0024938 k( 20) = ( 0.0000000 0.0000000 0.3726084), wk = 0.0024938 k( 21) = ( 0.0000000 0.0000000 0.3922193), wk = 0.0024938 k( 22) = ( 0.0000000 0.0000000 0.4118303), wk = 0.0024938 k( 23) = ( 0.0000000 0.0000000 0.4314413), wk = 0.0024938 k( 24) = ( 0.0000000 0.0000000 0.4510522), wk = 0.0024938 k( 25) = ( 0.0000000 0.0000000 0.4706632), wk = 0.0024938 k( 26) = ( 0.0000000 0.0000000 0.4902742), wk = 0.0024938 k( 27) = ( 0.0000000 0.0000000 0.5098851), wk = 0.0024938 k( 28) = ( 0.0000000 0.0000000 0.5294961), wk = 0.0024938 k( 29) = ( 0.0000000 0.0000000 0.5491071), wk = 0.0024938 k( 30) = ( 0.0000000 0.0000000 0.5687180), wk = 0.0024938 k( 31) = ( 0.0000000 0.0000000 0.5883290), wk = 0.0024938 k( 32) = ( 0.0000000 0.0000000 0.6079400), wk = 0.0024938 k( 33) = ( 0.0000000 0.0000000 0.6275509), wk = 0.0024938 k( 34) = ( 0.0000000 0.0000000 0.6471619), wk = 0.0024938 k( 35) = ( 0.0000000 0.0000000 0.6667729), wk = 0.0024938 k( 36) = ( 0.0000000 0.0000000 0.6863838), wk = 0.0024938 k( 37) = ( 0.0000000 0.0000000 0.7059948), wk = 0.0024938 k( 38) = ( 0.0000000 0.0000000 0.7256058), wk = 0.0024938 k( 39) = ( 0.0000000 0.0000000 0.7452167), wk = 0.0024938 k( 40) = ( 0.0000000 0.0000000 0.7648277), wk = 0.0024938 k( 41) = ( 0.0000000 0.0000000 0.7844387), wk = 0.0024938 k( 42) = ( 0.0000000 0.0000000 0.8040496), wk = 0.0024938 k( 43) = ( 0.0000000 0.0000000 0.8236606), wk = 0.0024938 k( 44) = ( 0.0000000 0.0000000 0.8432716), wk = 0.0024938 k( 45) = ( 0.0000000 0.0000000 0.8628825), wk = 0.0024938 k( 46) = ( 0.0000000 0.0000000 0.8824935), wk = 0.0024938 k( 47) = ( 0.0000000 0.0000000 0.9021045), wk = 0.0024938 k( 48) = ( 0.0000000 0.0000000 0.9217155), wk = 0.0024938 k( 49) = ( 0.0000000 0.0000000 0.9413264), wk = 0.0024938 k( 50) = ( 0.0000000 0.0000000 0.9609374), wk = 0.0024938 k( 51) = ( 0.0000000 0.0000000 0.9805484), wk = 0.0024938 k( 52) = ( 0.0000000 0.0000000 1.0001593), wk = 0.0024938 k( 53) = ( 0.0000000 0.0000000 1.0197703), wk = 0.0024938 k( 54) = ( 0.0000000 0.0000000 1.0393813), wk = 0.0024938 k( 55) = ( 0.0000000 0.0000000 1.0589922), wk = 0.0024938 k( 56) = ( 0.0000000 0.0000000 1.0786032), wk = 0.0024938 k( 57) = ( 0.0000000 0.0000000 1.0982142), wk = 0.0024938 k( 58) = ( 0.0000000 0.0000000 1.1178251), wk = 0.0024938 k( 59) = ( 0.0000000 0.0000000 1.1374361), wk = 0.0024938 k( 60) = ( 0.0000000 0.0000000 1.1570471), wk = 0.0024938 k( 61) = ( 0.0000000 0.0000000 1.1766580), wk = 0.0024938 k( 62) = ( 0.0000000 0.0000000 1.1962690), wk = 0.0024938 k( 63) = ( 0.0000000 0.0000000 1.2158800), wk = 0.0024938 k( 64) = ( 0.0000000 0.0000000 1.2354909), wk = 0.0024938 k( 65) = ( 0.0000000 0.0000000 1.2551019), wk = 0.0024938 k( 66) = ( 0.0000000 0.0000000 1.2747129), wk = 0.0024938 k( 67) = ( 0.0000000 0.0000000 1.2943238), wk = 0.0024938 k( 68) = ( 0.0000000 0.0000000 1.3139348), wk = 0.0024938 k( 69) = ( 0.0000000 0.0000000 1.3139348), wk = 0.0024938 k( 70) = ( -0.0070553 0.0171456 1.3139348), wk = 0.0024938 k( 71) = ( -0.0141107 0.0342912 1.3139348), wk = 0.0024938 k( 72) = ( -0.0211660 0.0514369 1.3139348), wk = 0.0024938 k( 73) = ( -0.0282213 0.0685825 1.3139348), wk = 0.0024938 k( 74) = ( -0.0352767 0.0857281 1.3139348), wk = 0.0024938 k( 75) = ( -0.0423320 0.1028737 1.3139348), wk = 0.0024938 k( 76) = ( -0.0423320 0.1028737 1.3139348), wk = 0.0024938 k( 77) = ( -0.0476537 0.1158064 1.2999500), wk = 0.0024938 k( 78) = ( -0.0529754 0.1287390 1.2859652), wk = 0.0024938 k( 79) = ( -0.0582972 0.1416717 1.2719804), wk = 0.0024938 k( 80) = ( -0.0636189 0.1546043 1.2579956), wk = 0.0024938 k( 81) = ( -0.0689406 0.1675370 1.2440109), wk = 0.0024938 k( 82) = ( -0.0742623 0.1804696 1.2300260), wk = 0.0024938 k( 83) = ( -0.0795840 0.1934023 1.2160413), wk = 0.0024938 k( 84) = ( -0.0849058 0.2063349 1.2020565), wk = 0.0024938 k( 85) = ( -0.0902275 0.2192676 1.1880717), wk = 0.0024938 k( 86) = ( -0.0955492 0.2322003 1.1740869), wk = 0.0024938 k( 87) = ( -0.1008709 0.2451329 1.1601021), wk = 0.0024938 k( 88) = ( -0.1061926 0.2580656 1.1461173), wk = 0.0024938 k( 89) = ( -0.1115144 0.2709982 1.1321325), wk = 0.0024938 k( 90) = ( -0.1168361 0.2839309 1.1181478), wk = 0.0024938 k( 91) = ( -0.1221578 0.2968635 1.1041630), wk = 0.0024938 k( 92) = ( -0.1274795 0.3097962 1.0901782), wk = 0.0024938 k( 93) = ( -0.1328013 0.3227289 1.0761934), wk = 0.0024938 k( 94) = ( -0.1381230 0.3356615 1.0622086), wk = 0.0024938 k( 95) = ( -0.1434447 0.3485942 1.0482238), wk = 0.0024938 k( 96) = ( -0.1487664 0.3615268 1.0342390), wk = 0.0024938 k( 97) = ( -0.1540881 0.3744595 1.0202542), wk = 0.0024938 k( 98) = ( -0.1594099 0.3873921 1.0062694), wk = 0.0024938 k( 99) = ( -0.1647316 0.4003248 0.9922847), wk = 0.0024938 k( 100) = ( -0.1700533 0.4132575 0.9782999), wk = 0.0024938 k( 101) = ( -0.1753750 0.4261901 0.9643151), wk = 0.0024938 k( 102) = ( -0.1806967 0.4391228 0.9503303), wk = 0.0024938 k( 103) = ( -0.1860185 0.4520554 0.9363455), wk = 0.0024938 k( 104) = ( -0.1913402 0.4649881 0.9223607), wk = 0.0024938 k( 105) = ( -0.1966619 0.4779207 0.9083759), wk = 0.0024938 k( 106) = ( -0.2019836 0.4908534 0.8943911), wk = 0.0024938 k( 107) = ( -0.2073053 0.5037861 0.8804063), wk = 0.0024938 k( 108) = ( -0.2126271 0.5167187 0.8664216), wk = 0.0024938 k( 109) = ( -0.2179488 0.5296514 0.8524368), wk = 0.0024938 k( 110) = ( -0.2232705 0.5425840 0.8384520), wk = 0.0024938 k( 111) = ( -0.2285922 0.5555167 0.8244672), wk = 0.0024938 k( 112) = ( -0.2339140 0.5684493 0.8104824), wk = 0.0024938 k( 113) = ( -0.2392357 0.5813820 0.7964976), wk = 0.0024938 k( 114) = ( -0.2445574 0.5943146 0.7825128), wk = 0.0024938 k( 115) = ( -0.2498791 0.6072473 0.7685280), wk = 0.0024938 k( 116) = ( -0.2552008 0.6201799 0.7545432), wk = 0.0024938 k( 117) = ( -0.2605226 0.6331126 0.7405585), wk = 0.0024938 k( 118) = ( -0.2658443 0.6460453 0.7265737), wk = 0.0024938 k( 119) = ( -0.2711660 0.6589779 0.7125889), wk = 0.0024938 k( 120) = ( -0.2711660 0.6589779 0.7125889), wk = 0.0024938 k( 121) = ( -0.2658490 0.6460568 0.6986166), wk = 0.0024938 k( 122) = ( -0.2605320 0.6331357 0.6846442), wk = 0.0024938 k( 123) = ( -0.2552151 0.6202145 0.6706719), wk = 0.0024938 k( 124) = ( -0.2498981 0.6072934 0.6566996), wk = 0.0024938 k( 125) = ( -0.2445811 0.5943723 0.6427272), wk = 0.0024938 k( 126) = ( -0.2392641 0.5814511 0.6287549), wk = 0.0024938 k( 127) = ( -0.2339471 0.5685300 0.6147826), wk = 0.0024938 k( 128) = ( -0.2286302 0.5556088 0.6008102), wk = 0.0024938 k( 129) = ( -0.2233132 0.5426877 0.5868379), wk = 0.0024938 k( 130) = ( -0.2179962 0.5297666 0.5728656), wk = 0.0024938 k( 131) = ( -0.2126792 0.5168454 0.5588932), wk = 0.0024938 k( 132) = ( -0.2073622 0.5039243 0.5449209), wk = 0.0024938 k( 133) = ( -0.2020453 0.4910032 0.5309486), wk = 0.0024938 k( 134) = ( -0.1967283 0.4780820 0.5169762), wk = 0.0024938 k( 135) = ( -0.1914113 0.4651609 0.5030039), wk = 0.0024938 k( 136) = ( -0.1860943 0.4522397 0.4890316), wk = 0.0024938 k( 137) = ( -0.1807773 0.4393186 0.4750592), wk = 0.0024938 k( 138) = ( -0.1754603 0.4263975 0.4610869), wk = 0.0024938 k( 139) = ( -0.1701434 0.4134763 0.4471146), wk = 0.0024938 k( 140) = ( -0.1648264 0.4005552 0.4331423), wk = 0.0024938 k( 141) = ( -0.1595094 0.3876341 0.4191699), wk = 0.0024938 k( 142) = ( -0.1541924 0.3747129 0.4051976), wk = 0.0024938 k( 143) = ( -0.1488754 0.3617918 0.3912253), wk = 0.0024938 k( 144) = ( -0.1435585 0.3488707 0.3772529), wk = 0.0024938 k( 145) = ( -0.1382415 0.3359495 0.3632806), wk = 0.0024938 k( 146) = ( -0.1329245 0.3230284 0.3493083), wk = 0.0024938 k( 147) = ( -0.1276075 0.3101073 0.3353359), wk = 0.0024938 k( 148) = ( -0.1222905 0.2971861 0.3213636), wk = 0.0024938 k( 149) = ( -0.1169736 0.2842650 0.3073913), wk = 0.0024938 k( 150) = ( -0.1116566 0.2713439 0.2934190), wk = 0.0024938 k( 151) = ( -0.1063396 0.2584227 0.2794466), wk = 0.0024938 k( 152) = ( -0.1010226 0.2455016 0.2654743), wk = 0.0024938 k( 153) = ( -0.0957057 0.2325805 0.2515020), wk = 0.0024938 k( 154) = ( -0.0903887 0.2196593 0.2375296), wk = 0.0024938 k( 155) = ( -0.0850717 0.2067382 0.2235573), wk = 0.0024938 k( 156) = ( -0.0797547 0.1938170 0.2095850), wk = 0.0024938 k( 157) = ( -0.0744377 0.1808959 0.1956126), wk = 0.0024938 k( 158) = ( -0.0691207 0.1679748 0.1816403), wk = 0.0024938 k( 159) = ( -0.0638038 0.1550536 0.1676680), wk = 0.0024938 k( 160) = ( -0.0584868 0.1421325 0.1536956), wk = 0.0024938 k( 161) = ( -0.0531698 0.1292113 0.1397233), wk = 0.0024938 k( 162) = ( -0.0478528 0.1162902 0.1257510), wk = 0.0024938 k( 163) = ( -0.0425358 0.1033691 0.1117786), wk = 0.0024938 k( 164) = ( -0.0372189 0.0904479 0.0978063), wk = 0.0024938 k( 165) = ( -0.0319019 0.0775268 0.0838340), wk = 0.0024938 k( 166) = ( -0.0265849 0.0646057 0.0698616), wk = 0.0024938 k( 167) = ( -0.0212679 0.0516845 0.0558893), wk = 0.0024938 k( 168) = ( -0.0159509 0.0387634 0.0419170), wk = 0.0024938 k( 169) = ( -0.0106340 0.0258423 0.0279447), wk = 0.0024938 k( 170) = ( -0.0053170 0.0129211 0.0139723), wk = 0.0024938 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 173) = ( 0.0178571 0.0073481 -0.0000000), wk = 0.0024938 k( 174) = ( 0.0357143 0.0146962 -0.0000000), wk = 0.0024938 k( 175) = ( 0.0535714 0.0220444 -0.0000000), wk = 0.0024938 k( 176) = ( 0.0714286 0.0293925 -0.0000000), wk = 0.0024938 k( 177) = ( 0.0892857 0.0367406 -0.0000000), wk = 0.0024938 k( 178) = ( 0.1071429 0.0440887 -0.0000000), wk = 0.0024938 k( 179) = ( 0.1250000 0.0514369 -0.0000000), wk = 0.0024938 k( 180) = ( 0.1428571 0.0587850 -0.0000000), wk = 0.0024938 k( 181) = ( 0.1607143 0.0661331 -0.0000000), wk = 0.0024938 k( 182) = ( 0.1785714 0.0734812 -0.0000000), wk = 0.0024938 k( 183) = ( 0.1964286 0.0808293 -0.0000000), wk = 0.0024938 k( 184) = ( 0.2142857 0.0881775 -0.0000000), wk = 0.0024938 k( 185) = ( 0.2321429 0.0955256 -0.0000000), wk = 0.0024938 k( 186) = ( 0.2500000 0.1028737 -0.0000000), wk = 0.0024938 k( 187) = ( 0.2678571 0.1102218 -0.0000000), wk = 0.0024938 k( 188) = ( 0.2857143 0.1175699 -0.0000000), wk = 0.0024938 k( 189) = ( 0.3035714 0.1249181 -0.0000000), wk = 0.0024938 k( 190) = ( 0.3214286 0.1322662 -0.0000000), wk = 0.0024938 k( 191) = ( 0.3392857 0.1396143 -0.0000000), wk = 0.0024938 k( 192) = ( 0.3571429 0.1469624 -0.0000000), wk = 0.0024938 k( 193) = ( 0.3750000 0.1543106 -0.0000000), wk = 0.0024938 k( 194) = ( 0.3928571 0.1616587 -0.0000000), wk = 0.0024938 k( 195) = ( 0.4107143 0.1690068 -0.0000000), wk = 0.0024938 k( 196) = ( 0.4285714 0.1763549 -0.0000000), wk = 0.0024938 k( 197) = ( 0.4464286 0.1837030 -0.0000000), wk = 0.0024938 k( 198) = ( 0.4642857 0.1910512 -0.0000000), wk = 0.0024938 k( 199) = ( 0.4821429 0.1983993 -0.0000000), wk = 0.0024938 k( 200) = ( 0.5000000 0.2057474 -0.0000000), wk = 0.0024938 k( 201) = ( 0.5000000 0.2057474 -0.0000000), wk = 0.0024938 k( 202) = ( 0.4946783 0.2186801 0.0139848), wk = 0.0024938 k( 203) = ( 0.4893566 0.2316127 0.0279696), wk = 0.0024938 k( 204) = ( 0.4840348 0.2445454 0.0419544), wk = 0.0024938 k( 205) = ( 0.4787131 0.2574780 0.0559391), wk = 0.0024938 k( 206) = ( 0.4733914 0.2704107 0.0699239), wk = 0.0024938 k( 207) = ( 0.4680697 0.2833434 0.0839087), wk = 0.0024938 k( 208) = ( 0.4627480 0.2962760 0.0978935), wk = 0.0024938 k( 209) = ( 0.4574262 0.3092087 0.1118783), wk = 0.0024938 k( 210) = ( 0.4521045 0.3221413 0.1258631), wk = 0.0024938 k( 211) = ( 0.4467828 0.3350740 0.1398479), wk = 0.0024938 k( 212) = ( 0.4414611 0.3480066 0.1538327), wk = 0.0024938 k( 213) = ( 0.4361393 0.3609393 0.1678175), wk = 0.0024938 k( 214) = ( 0.4308176 0.3738719 0.1818022), wk = 0.0024938 k( 215) = ( 0.4254959 0.3868046 0.1957870), wk = 0.0024938 k( 216) = ( 0.4201742 0.3997372 0.2097718), wk = 0.0024938 k( 217) = ( 0.4148525 0.4126699 0.2237566), wk = 0.0024938 k( 218) = ( 0.4095307 0.4256026 0.2377414), wk = 0.0024938 k( 219) = ( 0.4042090 0.4385352 0.2517262), wk = 0.0024938 k( 220) = ( 0.3988873 0.4514679 0.2657110), wk = 0.0024938 k( 221) = ( 0.3935656 0.4644005 0.2796958), wk = 0.0024938 k( 222) = ( 0.3882439 0.4773332 0.2936806), wk = 0.0024938 k( 223) = ( 0.3829221 0.4902658 0.3076653), wk = 0.0024938 k( 224) = ( 0.3776004 0.5031985 0.3216501), wk = 0.0024938 k( 225) = ( 0.3722787 0.5161311 0.3356349), wk = 0.0024938 k( 226) = ( 0.3669570 0.5290638 0.3496197), wk = 0.0024938 k( 227) = ( 0.3616353 0.5419965 0.3636045), wk = 0.0024938 k( 228) = ( 0.3563135 0.5549291 0.3775893), wk = 0.0024938 k( 229) = ( 0.3509918 0.5678618 0.3915741), wk = 0.0024938 k( 230) = ( 0.3456701 0.5807944 0.4055589), wk = 0.0024938 k( 231) = ( 0.3403484 0.5937271 0.4195437), wk = 0.0024938 k( 232) = ( 0.3350266 0.6066598 0.4335284), wk = 0.0024938 k( 233) = ( 0.3297049 0.6195924 0.4475132), wk = 0.0024938 k( 234) = ( 0.3243832 0.6325251 0.4614980), wk = 0.0024938 k( 235) = ( 0.3190615 0.6454577 0.4754828), wk = 0.0024938 k( 236) = ( 0.3137398 0.6583904 0.4894676), wk = 0.0024938 k( 237) = ( 0.3084180 0.6713230 0.5034524), wk = 0.0024938 k( 238) = ( 0.3030963 0.6842557 0.5174372), wk = 0.0024938 k( 239) = ( 0.2977746 0.6971884 0.5314220), wk = 0.0024938 k( 240) = ( 0.2924529 0.7101210 0.5454068), wk = 0.0024938 k( 241) = ( 0.2871312 0.7230537 0.5593915), wk = 0.0024938 k( 242) = ( 0.2818094 0.7359863 0.5733763), wk = 0.0024938 k( 243) = ( 0.2764877 0.7489190 0.5873611), wk = 0.0024938 k( 244) = ( 0.2711660 0.7618516 0.6013459), wk = 0.0024938 k( 245) = ( 0.2711660 0.7618516 0.6013459), wk = 0.0024938 k( 246) = ( 0.2530883 0.7584225 0.6050540), wk = 0.0024938 k( 247) = ( 0.2350105 0.7549934 0.6087621), wk = 0.0024938 k( 248) = ( 0.2169328 0.7515643 0.6124702), wk = 0.0024938 k( 249) = ( 0.1988551 0.7481351 0.6161783), wk = 0.0024938 k( 250) = ( 0.1807773 0.7447060 0.6198864), wk = 0.0024938 k( 251) = ( 0.1626996 0.7412769 0.6235945), wk = 0.0024938 k( 252) = ( 0.1446219 0.7378478 0.6273026), wk = 0.0024938 k( 253) = ( 0.1265441 0.7344186 0.6310107), wk = 0.0024938 k( 254) = ( 0.1084664 0.7309895 0.6347188), wk = 0.0024938 k( 255) = ( 0.0903887 0.7275604 0.6384269), wk = 0.0024938 k( 256) = ( 0.0723109 0.7241313 0.6421350), wk = 0.0024938 k( 257) = ( 0.0542332 0.7207021 0.6458431), wk = 0.0024938 k( 258) = ( 0.0361555 0.7172730 0.6495512), wk = 0.0024938 k( 259) = ( 0.0180777 0.7138439 0.6532593), wk = 0.0024938 k( 260) = ( 0.0000000 0.7104148 0.6569674), wk = 0.0024938 k( 261) = ( 0.0000000 0.7104148 0.6569674), wk = 0.0024938 k( 262) = ( 0.0053191 0.6974884 0.6709454), wk = 0.0024938 k( 263) = ( 0.0106383 0.6845620 0.6849235), wk = 0.0024938 k( 264) = ( 0.0159575 0.6716356 0.6989015), wk = 0.0024938 k( 265) = ( 0.0212766 0.6587091 0.7128795), wk = 0.0024938 k( 266) = ( 0.0265957 0.6457828 0.7268575), wk = 0.0024938 k( 267) = ( 0.0319149 0.6328564 0.7408356), wk = 0.0024938 k( 268) = ( 0.0372340 0.6199299 0.7548136), wk = 0.0024938 k( 269) = ( 0.0425532 0.6070035 0.7687916), wk = 0.0024938 k( 270) = ( 0.0478723 0.5940771 0.7827697), wk = 0.0024938 k( 271) = ( 0.0531915 0.5811507 0.7967477), wk = 0.0024938 k( 272) = ( 0.0585106 0.5682243 0.8107257), wk = 0.0024938 k( 273) = ( 0.0638298 0.5552979 0.8247038), wk = 0.0024938 k( 274) = ( 0.0691489 0.5423715 0.8386818), wk = 0.0024938 k( 275) = ( 0.0744681 0.5294451 0.8526598), wk = 0.0024938 k( 276) = ( 0.0797872 0.5165187 0.8666378), wk = 0.0024938 k( 277) = ( 0.0851064 0.5035923 0.8806159), wk = 0.0024938 k( 278) = ( 0.0904255 0.4906659 0.8945939), wk = 0.0024938 k( 279) = ( 0.0957447 0.4777395 0.9085719), wk = 0.0024938 k( 280) = ( 0.1010638 0.4648131 0.9225500), wk = 0.0024938 k( 281) = ( 0.1063830 0.4518867 0.9365280), wk = 0.0024938 k( 282) = ( 0.1117021 0.4389602 0.9505060), wk = 0.0024938 k( 283) = ( 0.1170213 0.4260338 0.9644841), wk = 0.0024938 k( 284) = ( 0.1223404 0.4131074 0.9784621), wk = 0.0024938 k( 285) = ( 0.1276596 0.4001810 0.9924401), wk = 0.0024938 k( 286) = ( 0.1329787 0.3872546 1.0064181), wk = 0.0024938 k( 287) = ( 0.1382979 0.3743282 1.0203962), wk = 0.0024938 k( 288) = ( 0.1436170 0.3614018 1.0343742), wk = 0.0024938 k( 289) = ( 0.1489362 0.3484754 1.0483522), wk = 0.0024938 k( 290) = ( 0.1542553 0.3355490 1.0623303), wk = 0.0024938 k( 291) = ( 0.1595745 0.3226226 1.0763083), wk = 0.0024938 k( 292) = ( 0.1648936 0.3096962 1.0902863), wk = 0.0024938 k( 293) = ( 0.1702128 0.2967698 1.1042644), wk = 0.0024938 k( 294) = ( 0.1755319 0.2838434 1.1182424), wk = 0.0024938 k( 295) = ( 0.1808511 0.2709170 1.1322204), wk = 0.0024938 k( 296) = ( 0.1861702 0.2579906 1.1461984), wk = 0.0024938 k( 297) = ( 0.1914894 0.2450642 1.1601765), wk = 0.0024938 k( 298) = ( 0.1968085 0.2321378 1.1741545), wk = 0.0024938 k( 299) = ( 0.2021277 0.2192114 1.1881325), wk = 0.0024938 k( 300) = ( 0.2074468 0.2062849 1.2021106), wk = 0.0024938 k( 301) = ( 0.2127660 0.1933585 1.2160886), wk = 0.0024938 k( 302) = ( 0.2180851 0.1804321 1.2300666), wk = 0.0024938 k( 303) = ( 0.2234043 0.1675057 1.2440446), wk = 0.0024938 k( 304) = ( 0.2287234 0.1545793 1.2580227), wk = 0.0024938 k( 305) = ( 0.2340425 0.1416529 1.2720007), wk = 0.0024938 k( 306) = ( 0.2393617 0.1287265 1.2859787), wk = 0.0024938 k( 307) = ( 0.2446809 0.1158001 1.2999568), wk = 0.0024938 k( 308) = ( 0.2500000 0.1028737 1.3139348), wk = 0.0024938 k( 309) = ( 0.2500000 0.1028737 1.3139348), wk = 0.0024938 k( 310) = ( 0.2666667 0.1097320 1.3065186), wk = 0.0024938 k( 311) = ( 0.2833333 0.1165902 1.2991024), wk = 0.0024938 k( 312) = ( 0.3000000 0.1234484 1.2916862), wk = 0.0024938 k( 313) = ( 0.3166667 0.1303067 1.2842700), wk = 0.0024938 k( 314) = ( 0.3333333 0.1371649 1.2768538), wk = 0.0024938 k( 315) = ( 0.3500000 0.1440232 1.2694376), wk = 0.0024938 k( 316) = ( 0.3666667 0.1508814 1.2620214), wk = 0.0024938 k( 317) = ( 0.3833333 0.1577397 1.2546052), wk = 0.0024938 k( 318) = ( 0.4000000 0.1645979 1.2471890), wk = 0.0024938 k( 319) = ( 0.4166667 0.1714562 1.2397728), wk = 0.0024938 k( 320) = ( 0.4333333 0.1783144 1.2323566), wk = 0.0024938 k( 321) = ( 0.4500000 0.1851727 1.2249404), wk = 0.0024938 k( 322) = ( 0.4666667 0.1920309 1.2175242), wk = 0.0024938 k( 323) = ( 0.4833333 0.1988892 1.2101080), wk = 0.0024938 k( 324) = ( 0.5000000 0.2057474 1.2026918), wk = 0.0024938 k( 325) = ( 0.5000000 0.2057474 1.2026918), wk = 0.0024938 k( 326) = ( 0.5000000 0.2057474 1.1829756), wk = 0.0024938 k( 327) = ( 0.5000000 0.2057474 1.1632593), wk = 0.0024938 k( 328) = ( 0.5000000 0.2057474 1.1435430), wk = 0.0024938 k( 329) = ( 0.5000000 0.2057474 1.1238268), wk = 0.0024938 k( 330) = ( 0.5000000 0.2057474 1.1041105), wk = 0.0024938 k( 331) = ( 0.5000000 0.2057474 1.0843943), wk = 0.0024938 k( 332) = ( 0.5000000 0.2057474 1.0646780), wk = 0.0024938 k( 333) = ( 0.5000000 0.2057474 1.0449617), wk = 0.0024938 k( 334) = ( 0.5000000 0.2057474 1.0252455), wk = 0.0024938 k( 335) = ( 0.5000000 0.2057474 1.0055292), wk = 0.0024938 k( 336) = ( 0.5000000 0.2057474 0.9858130), wk = 0.0024938 k( 337) = ( 0.5000000 0.2057474 0.9660967), wk = 0.0024938 k( 338) = ( 0.5000000 0.2057474 0.9463805), wk = 0.0024938 k( 339) = ( 0.5000000 0.2057474 0.9266642), wk = 0.0024938 k( 340) = ( 0.5000000 0.2057474 0.9069479), wk = 0.0024938 k( 341) = ( 0.5000000 0.2057474 0.8872317), wk = 0.0024938 k( 342) = ( 0.5000000 0.2057474 0.8675154), wk = 0.0024938 k( 343) = ( 0.5000000 0.2057474 0.8477992), wk = 0.0024938 k( 344) = ( 0.5000000 0.2057474 0.8280829), wk = 0.0024938 k( 345) = ( 0.5000000 0.2057474 0.8083666), wk = 0.0024938 k( 346) = ( 0.5000000 0.2057474 0.7886504), wk = 0.0024938 k( 347) = ( 0.5000000 0.2057474 0.7689341), wk = 0.0024938 k( 348) = ( 0.5000000 0.2057474 0.7492179), wk = 0.0024938 k( 349) = ( 0.5000000 0.2057474 0.7295016), wk = 0.0024938 k( 350) = ( 0.5000000 0.2057474 0.7097853), wk = 0.0024938 k( 351) = ( 0.5000000 0.2057474 0.6900691), wk = 0.0024938 k( 352) = ( 0.5000000 0.2057474 0.6703528), wk = 0.0024938 k( 353) = ( 0.5000000 0.2057474 0.6506366), wk = 0.0024938 k( 354) = ( 0.5000000 0.2057474 0.6309203), wk = 0.0024938 k( 355) = ( 0.5000000 0.2057474 0.6112040), wk = 0.0024938 k( 356) = ( 0.5000000 0.2057474 0.5914878), wk = 0.0024938 k( 357) = ( 0.5000000 0.2057474 0.5717715), wk = 0.0024938 k( 358) = ( 0.5000000 0.2057474 0.5520553), wk = 0.0024938 k( 359) = ( 0.5000000 0.2057474 0.5323390), wk = 0.0024938 k( 360) = ( 0.5000000 0.2057474 0.5126227), wk = 0.0024938 k( 361) = ( 0.5000000 0.2057474 0.4929065), wk = 0.0024938 k( 362) = ( 0.5000000 0.2057474 0.4731902), wk = 0.0024938 k( 363) = ( 0.5000000 0.2057474 0.4534740), wk = 0.0024938 k( 364) = ( 0.5000000 0.2057474 0.4337577), wk = 0.0024938 k( 365) = ( 0.5000000 0.2057474 0.4140415), wk = 0.0024938 k( 366) = ( 0.5000000 0.2057474 0.3943252), wk = 0.0024938 k( 367) = ( 0.5000000 0.2057474 0.3746089), wk = 0.0024938 k( 368) = ( 0.5000000 0.2057474 0.3548927), wk = 0.0024938 k( 369) = ( 0.5000000 0.2057474 0.3351764), wk = 0.0024938 k( 370) = ( 0.5000000 0.2057474 0.3154602), wk = 0.0024938 k( 371) = ( 0.5000000 0.2057474 0.2957439), wk = 0.0024938 k( 372) = ( 0.5000000 0.2057474 0.2760276), wk = 0.0024938 k( 373) = ( 0.5000000 0.2057474 0.2563114), wk = 0.0024938 k( 374) = ( 0.5000000 0.2057474 0.2365951), wk = 0.0024938 k( 375) = ( 0.5000000 0.2057474 0.2168789), wk = 0.0024938 k( 376) = ( 0.5000000 0.2057474 0.1971626), wk = 0.0024938 k( 377) = ( 0.5000000 0.2057474 0.1774463), wk = 0.0024938 k( 378) = ( 0.5000000 0.2057474 0.1577301), wk = 0.0024938 k( 379) = ( 0.5000000 0.2057474 0.1380138), wk = 0.0024938 k( 380) = ( 0.5000000 0.2057474 0.1182976), wk = 0.0024938 k( 381) = ( 0.5000000 0.2057474 0.0985813), wk = 0.0024938 k( 382) = ( 0.5000000 0.2057474 0.0788650), wk = 0.0024938 k( 383) = ( 0.5000000 0.2057474 0.0591488), wk = 0.0024938 k( 384) = ( 0.5000000 0.2057474 0.0394325), wk = 0.0024938 k( 385) = ( 0.5000000 0.2057474 0.0197162), wk = 0.0024938 k( 386) = ( 0.5000000 0.2057474 -0.0000000), wk = 0.0024938 k( 387) = ( 0.0000000 0.0000000 1.3139348), wk = 0.0024938 k( 388) = ( 0.0178571 0.0073481 1.3139348), wk = 0.0024938 k( 389) = ( 0.0357143 0.0146962 1.3139348), wk = 0.0024938 k( 390) = ( 0.0535714 0.0220444 1.3139348), wk = 0.0024938 k( 391) = ( 0.0714286 0.0293925 1.3139348), wk = 0.0024938 k( 392) = ( 0.0892857 0.0367406 1.3139348), wk = 0.0024938 k( 393) = ( 0.1071429 0.0440887 1.3139348), wk = 0.0024938 k( 394) = ( 0.1250000 0.0514369 1.3139348), wk = 0.0024938 k( 395) = ( 0.1428571 0.0587850 1.3139348), wk = 0.0024938 k( 396) = ( 0.1607143 0.0661331 1.3139348), wk = 0.0024938 k( 397) = ( 0.1785714 0.0734812 1.3139348), wk = 0.0024938 k( 398) = ( 0.1964286 0.0808293 1.3139348), wk = 0.0024938 k( 399) = ( 0.2142857 0.0881775 1.3139348), wk = 0.0024938 k( 400) = ( 0.2321429 0.0955256 1.3139348), wk = 0.0024938 k( 401) = ( 0.2500000 0.1028737 1.3139348), wk = 0.0024938 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0000000 0.0000000 0.0074627), wk = 0.0024938 k( 3) = ( 0.0000000 0.0000000 0.0149254), wk = 0.0024938 k( 4) = ( 0.0000000 0.0000000 0.0223881), wk = 0.0024938 k( 5) = ( 0.0000000 0.0000000 0.0298507), wk = 0.0024938 k( 6) = ( 0.0000000 0.0000000 0.0373134), wk = 0.0024938 k( 7) = ( 0.0000000 0.0000000 0.0447761), wk = 0.0024938 k( 8) = ( 0.0000000 0.0000000 0.0522388), wk = 0.0024938 k( 9) = ( 0.0000000 0.0000000 0.0597015), wk = 0.0024938 k( 10) = ( 0.0000000 0.0000000 0.0671642), wk = 0.0024938 k( 11) = ( 0.0000000 0.0000000 0.0746269), wk = 0.0024938 k( 12) = ( 0.0000000 0.0000000 0.0820895), wk = 0.0024938 k( 13) = ( 0.0000000 0.0000000 0.0895522), wk = 0.0024938 k( 14) = ( 0.0000000 0.0000000 0.0970149), wk = 0.0024938 k( 15) = ( 0.0000000 0.0000000 0.1044776), wk = 0.0024938 k( 16) = ( 0.0000000 0.0000000 0.1119403), wk = 0.0024938 k( 17) = ( 0.0000000 0.0000000 0.1194030), wk = 0.0024938 k( 18) = ( 0.0000000 0.0000000 0.1268657), wk = 0.0024938 k( 19) = ( 0.0000000 0.0000000 0.1343284), wk = 0.0024938 k( 20) = ( 0.0000000 0.0000000 0.1417910), wk = 0.0024938 k( 21) = ( 0.0000000 0.0000000 0.1492537), wk = 0.0024938 k( 22) = ( 0.0000000 0.0000000 0.1567164), wk = 0.0024938 k( 23) = ( 0.0000000 0.0000000 0.1641791), wk = 0.0024938 k( 24) = ( 0.0000000 0.0000000 0.1716418), wk = 0.0024938 k( 25) = ( 0.0000000 0.0000000 0.1791045), wk = 0.0024938 k( 26) = ( 0.0000000 0.0000000 0.1865672), wk = 0.0024938 k( 27) = ( 0.0000000 0.0000000 0.1940299), wk = 0.0024938 k( 28) = ( 0.0000000 0.0000000 0.2014925), wk = 0.0024938 k( 29) = ( 0.0000000 0.0000000 0.2089552), wk = 0.0024938 k( 30) = ( 0.0000000 0.0000000 0.2164179), wk = 0.0024938 k( 31) = ( 0.0000000 0.0000000 0.2238806), wk = 0.0024938 k( 32) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0024938 k( 33) = ( 0.0000000 0.0000000 0.2388060), wk = 0.0024938 k( 34) = ( 0.0000000 0.0000000 0.2462687), wk = 0.0024938 k( 35) = ( 0.0000000 0.0000000 0.2537313), wk = 0.0024938 k( 36) = ( 0.0000000 0.0000000 0.2611940), wk = 0.0024938 k( 37) = ( 0.0000000 0.0000000 0.2686567), wk = 0.0024938 k( 38) = ( 0.0000000 0.0000000 0.2761194), wk = 0.0024938 k( 39) = ( 0.0000000 0.0000000 0.2835821), wk = 0.0024938 k( 40) = ( 0.0000000 0.0000000 0.2910448), wk = 0.0024938 k( 41) = ( 0.0000000 0.0000000 0.2985075), wk = 0.0024938 k( 42) = ( 0.0000000 0.0000000 0.3059702), wk = 0.0024938 k( 43) = ( 0.0000000 0.0000000 0.3134328), wk = 0.0024938 k( 44) = ( 0.0000000 0.0000000 0.3208955), wk = 0.0024938 k( 45) = ( 0.0000000 0.0000000 0.3283582), wk = 0.0024938 k( 46) = ( 0.0000000 0.0000000 0.3358209), wk = 0.0024938 k( 47) = ( 0.0000000 0.0000000 0.3432836), wk = 0.0024938 k( 48) = ( 0.0000000 0.0000000 0.3507463), wk = 0.0024938 k( 49) = ( 0.0000000 0.0000000 0.3582090), wk = 0.0024938 k( 50) = ( 0.0000000 0.0000000 0.3656716), wk = 0.0024938 k( 51) = ( 0.0000000 0.0000000 0.3731343), wk = 0.0024938 k( 52) = ( 0.0000000 0.0000000 0.3805970), wk = 0.0024938 k( 53) = ( 0.0000000 0.0000000 0.3880597), wk = 0.0024938 k( 54) = ( 0.0000000 0.0000000 0.3955224), wk = 0.0024938 k( 55) = ( 0.0000000 0.0000000 0.4029851), wk = 0.0024938 k( 56) = ( 0.0000000 0.0000000 0.4104478), wk = 0.0024938 k( 57) = ( 0.0000000 0.0000000 0.4179105), wk = 0.0024938 k( 58) = ( 0.0000000 0.0000000 0.4253731), wk = 0.0024938 k( 59) = ( 0.0000000 0.0000000 0.4328358), wk = 0.0024938 k( 60) = ( 0.0000000 0.0000000 0.4402985), wk = 0.0024938 k( 61) = ( 0.0000000 0.0000000 0.4477612), wk = 0.0024938 k( 62) = ( 0.0000000 0.0000000 0.4552239), wk = 0.0024938 k( 63) = ( 0.0000000 0.0000000 0.4626866), wk = 0.0024938 k( 64) = ( 0.0000000 0.0000000 0.4701493), wk = 0.0024938 k( 65) = ( 0.0000000 0.0000000 0.4776119), wk = 0.0024938 k( 66) = ( 0.0000000 0.0000000 0.4850746), wk = 0.0024938 k( 67) = ( 0.0000000 0.0000000 0.4925373), wk = 0.0024938 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 70) = ( -0.0070553 0.0070553 0.5000000), wk = 0.0024938 k( 71) = ( -0.0141107 0.0141107 0.5000000), wk = 0.0024938 k( 72) = ( -0.0211660 0.0211660 0.5000000), wk = 0.0024938 k( 73) = ( -0.0282213 0.0282213 0.5000000), wk = 0.0024938 k( 74) = ( -0.0352767 0.0352767 0.5000000), wk = 0.0024938 k( 75) = ( -0.0423320 0.0423320 0.5000000), wk = 0.0024938 k( 76) = ( -0.0423320 0.0423320 0.5000000), wk = 0.0024938 k( 77) = ( -0.0476537 0.0476537 0.4946783), wk = 0.0024938 k( 78) = ( -0.0529754 0.0529754 0.4893566), wk = 0.0024938 k( 79) = ( -0.0582972 0.0582972 0.4840348), wk = 0.0024938 k( 80) = ( -0.0636189 0.0636189 0.4787131), wk = 0.0024938 k( 81) = ( -0.0689406 0.0689406 0.4733914), wk = 0.0024938 k( 82) = ( -0.0742623 0.0742623 0.4680697), wk = 0.0024938 k( 83) = ( -0.0795840 0.0795840 0.4627480), wk = 0.0024938 k( 84) = ( -0.0849058 0.0849058 0.4574262), wk = 0.0024938 k( 85) = ( -0.0902275 0.0902275 0.4521045), wk = 0.0024938 k( 86) = ( -0.0955492 0.0955492 0.4467828), wk = 0.0024938 k( 87) = ( -0.1008709 0.1008709 0.4414611), wk = 0.0024938 k( 88) = ( -0.1061926 0.1061926 0.4361393), wk = 0.0024938 k( 89) = ( -0.1115144 0.1115144 0.4308176), wk = 0.0024938 k( 90) = ( -0.1168361 0.1168361 0.4254959), wk = 0.0024938 k( 91) = ( -0.1221578 0.1221578 0.4201742), wk = 0.0024938 k( 92) = ( -0.1274795 0.1274795 0.4148525), wk = 0.0024938 k( 93) = ( -0.1328013 0.1328012 0.4095307), wk = 0.0024938 k( 94) = ( -0.1381230 0.1381230 0.4042090), wk = 0.0024938 k( 95) = ( -0.1434447 0.1434447 0.3988873), wk = 0.0024938 k( 96) = ( -0.1487664 0.1487664 0.3935656), wk = 0.0024938 k( 97) = ( -0.1540881 0.1540881 0.3882439), wk = 0.0024938 k( 98) = ( -0.1594099 0.1594099 0.3829221), wk = 0.0024938 k( 99) = ( -0.1647316 0.1647316 0.3776004), wk = 0.0024938 k( 100) = ( -0.1700533 0.1700533 0.3722787), wk = 0.0024938 k( 101) = ( -0.1753750 0.1753750 0.3669570), wk = 0.0024938 k( 102) = ( -0.1806967 0.1806967 0.3616353), wk = 0.0024938 k( 103) = ( -0.1860185 0.1860185 0.3563135), wk = 0.0024938 k( 104) = ( -0.1913402 0.1913402 0.3509918), wk = 0.0024938 k( 105) = ( -0.1966619 0.1966619 0.3456701), wk = 0.0024938 k( 106) = ( -0.2019836 0.2019836 0.3403484), wk = 0.0024938 k( 107) = ( -0.2073053 0.2073053 0.3350267), wk = 0.0024938 k( 108) = ( -0.2126271 0.2126271 0.3297049), wk = 0.0024938 k( 109) = ( -0.2179488 0.2179488 0.3243832), wk = 0.0024938 k( 110) = ( -0.2232705 0.2232705 0.3190615), wk = 0.0024938 k( 111) = ( -0.2285922 0.2285922 0.3137398), wk = 0.0024938 k( 112) = ( -0.2339140 0.2339139 0.3084180), wk = 0.0024938 k( 113) = ( -0.2392357 0.2392357 0.3030963), wk = 0.0024938 k( 114) = ( -0.2445574 0.2445574 0.2977746), wk = 0.0024938 k( 115) = ( -0.2498791 0.2498791 0.2924529), wk = 0.0024938 k( 116) = ( -0.2552008 0.2552008 0.2871312), wk = 0.0024938 k( 117) = ( -0.2605226 0.2605226 0.2818094), wk = 0.0024938 k( 118) = ( -0.2658443 0.2658443 0.2764877), wk = 0.0024938 k( 119) = ( -0.2711660 0.2711660 0.2711660), wk = 0.0024938 k( 120) = ( -0.2711660 0.2711660 0.2711660), wk = 0.0024938 k( 121) = ( -0.2658490 0.2658490 0.2658490), wk = 0.0024938 k( 122) = ( -0.2605320 0.2605320 0.2605320), wk = 0.0024938 k( 123) = ( -0.2552151 0.2552151 0.2552151), wk = 0.0024938 k( 124) = ( -0.2498981 0.2498981 0.2498981), wk = 0.0024938 k( 125) = ( -0.2445811 0.2445811 0.2445811), wk = 0.0024938 k( 126) = ( -0.2392641 0.2392641 0.2392641), wk = 0.0024938 k( 127) = ( -0.2339471 0.2339471 0.2339471), wk = 0.0024938 k( 128) = ( -0.2286302 0.2286302 0.2286302), wk = 0.0024938 k( 129) = ( -0.2233132 0.2233132 0.2233132), wk = 0.0024938 k( 130) = ( -0.2179962 0.2179962 0.2179962), wk = 0.0024938 k( 131) = ( -0.2126792 0.2126792 0.2126792), wk = 0.0024938 k( 132) = ( -0.2073622 0.2073622 0.2073622), wk = 0.0024938 k( 133) = ( -0.2020453 0.2020452 0.2020453), wk = 0.0024938 k( 134) = ( -0.1967283 0.1967283 0.1967283), wk = 0.0024938 k( 135) = ( -0.1914113 0.1914113 0.1914113), wk = 0.0024938 k( 136) = ( -0.1860943 0.1860943 0.1860943), wk = 0.0024938 k( 137) = ( -0.1807773 0.1807773 0.1807773), wk = 0.0024938 k( 138) = ( -0.1754603 0.1754603 0.1754604), wk = 0.0024938 k( 139) = ( -0.1701434 0.1701434 0.1701434), wk = 0.0024938 k( 140) = ( -0.1648264 0.1648264 0.1648264), wk = 0.0024938 k( 141) = ( -0.1595094 0.1595094 0.1595094), wk = 0.0024938 k( 142) = ( -0.1541924 0.1541924 0.1541924), wk = 0.0024938 k( 143) = ( -0.1488754 0.1488754 0.1488755), wk = 0.0024938 k( 144) = ( -0.1435585 0.1435585 0.1435585), wk = 0.0024938 k( 145) = ( -0.1382415 0.1382415 0.1382415), wk = 0.0024938 k( 146) = ( -0.1329245 0.1329245 0.1329245), wk = 0.0024938 k( 147) = ( -0.1276075 0.1276075 0.1276075), wk = 0.0024938 k( 148) = ( -0.1222905 0.1222906 0.1222905), wk = 0.0024938 k( 149) = ( -0.1169736 0.1169736 0.1169736), wk = 0.0024938 k( 150) = ( -0.1116566 0.1116566 0.1116566), wk = 0.0024938 k( 151) = ( -0.1063396 0.1063396 0.1063396), wk = 0.0024938 k( 152) = ( -0.1010226 0.1010226 0.1010226), wk = 0.0024938 k( 153) = ( -0.0957057 0.0957056 0.0957057), wk = 0.0024938 k( 154) = ( -0.0903887 0.0903887 0.0903887), wk = 0.0024938 k( 155) = ( -0.0850717 0.0850717 0.0850717), wk = 0.0024938 k( 156) = ( -0.0797547 0.0797547 0.0797547), wk = 0.0024938 k( 157) = ( -0.0744377 0.0744377 0.0744377), wk = 0.0024938 k( 158) = ( -0.0691207 0.0691207 0.0691207), wk = 0.0024938 k( 159) = ( -0.0638038 0.0638038 0.0638038), wk = 0.0024938 k( 160) = ( -0.0584868 0.0584868 0.0584868), wk = 0.0024938 k( 161) = ( -0.0531698 0.0531698 0.0531698), wk = 0.0024938 k( 162) = ( -0.0478528 0.0478528 0.0478528), wk = 0.0024938 k( 163) = ( -0.0425358 0.0425358 0.0425358), wk = 0.0024938 k( 164) = ( -0.0372189 0.0372189 0.0372189), wk = 0.0024938 k( 165) = ( -0.0319019 0.0319019 0.0319019), wk = 0.0024938 k( 166) = ( -0.0265849 0.0265849 0.0265849), wk = 0.0024938 k( 167) = ( -0.0212679 0.0212679 0.0212679), wk = 0.0024938 k( 168) = ( -0.0159509 0.0159509 0.0159509), wk = 0.0024938 k( 169) = ( -0.0106340 0.0106340 0.0106340), wk = 0.0024938 k( 170) = ( -0.0053170 0.0053170 0.0053170), wk = 0.0024938 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 173) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0024938 k( 174) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0024938 k( 175) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0024938 k( 176) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0024938 k( 177) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0024938 k( 178) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0024938 k( 179) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024938 k( 180) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0024938 k( 181) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0024938 k( 182) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0024938 k( 183) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0024938 k( 184) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0024938 k( 185) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0024938 k( 186) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024938 k( 187) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0024938 k( 188) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0024938 k( 189) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0024938 k( 190) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0024938 k( 191) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0024938 k( 192) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0024938 k( 193) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024938 k( 194) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0024938 k( 195) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0024938 k( 196) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0024938 k( 197) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0024938 k( 198) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0024938 k( 199) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0024938 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024938 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024938 k( 202) = ( 0.4946783 0.5053217 -0.4946783), wk = 0.0024938 k( 203) = ( 0.4893566 0.5106434 -0.4893566), wk = 0.0024938 k( 204) = ( 0.4840348 0.5159652 -0.4840348), wk = 0.0024938 k( 205) = ( 0.4787131 0.5212869 -0.4787131), wk = 0.0024938 k( 206) = ( 0.4733914 0.5266086 -0.4733914), wk = 0.0024938 k( 207) = ( 0.4680697 0.5319303 -0.4680697), wk = 0.0024938 k( 208) = ( 0.4627480 0.5372520 -0.4627480), wk = 0.0024938 k( 209) = ( 0.4574262 0.5425738 -0.4574262), wk = 0.0024938 k( 210) = ( 0.4521045 0.5478955 -0.4521045), wk = 0.0024938 k( 211) = ( 0.4467828 0.5532172 -0.4467828), wk = 0.0024938 k( 212) = ( 0.4414611 0.5585389 -0.4414611), wk = 0.0024938 k( 213) = ( 0.4361393 0.5638606 -0.4361393), wk = 0.0024938 k( 214) = ( 0.4308176 0.5691824 -0.4308176), wk = 0.0024938 k( 215) = ( 0.4254959 0.5745041 -0.4254959), wk = 0.0024938 k( 216) = ( 0.4201742 0.5798258 -0.4201742), wk = 0.0024938 k( 217) = ( 0.4148525 0.5851475 -0.4148525), wk = 0.0024938 k( 218) = ( 0.4095307 0.5904693 -0.4095307), wk = 0.0024938 k( 219) = ( 0.4042090 0.5957910 -0.4042090), wk = 0.0024938 k( 220) = ( 0.3988873 0.6011127 -0.3988873), wk = 0.0024938 k( 221) = ( 0.3935656 0.6064344 -0.3935656), wk = 0.0024938 k( 222) = ( 0.3882439 0.6117561 -0.3882439), wk = 0.0024938 k( 223) = ( 0.3829221 0.6170779 -0.3829221), wk = 0.0024938 k( 224) = ( 0.3776004 0.6223996 -0.3776004), wk = 0.0024938 k( 225) = ( 0.3722787 0.6277213 -0.3722787), wk = 0.0024938 k( 226) = ( 0.3669570 0.6330430 -0.3669570), wk = 0.0024938 k( 227) = ( 0.3616353 0.6383648 -0.3616353), wk = 0.0024938 k( 228) = ( 0.3563135 0.6436865 -0.3563135), wk = 0.0024938 k( 229) = ( 0.3509918 0.6490082 -0.3509918), wk = 0.0024938 k( 230) = ( 0.3456701 0.6543299 -0.3456701), wk = 0.0024938 k( 231) = ( 0.3403484 0.6596516 -0.3403484), wk = 0.0024938 k( 232) = ( 0.3350266 0.6649734 -0.3350266), wk = 0.0024938 k( 233) = ( 0.3297049 0.6702951 -0.3297049), wk = 0.0024938 k( 234) = ( 0.3243832 0.6756168 -0.3243832), wk = 0.0024938 k( 235) = ( 0.3190615 0.6809385 -0.3190615), wk = 0.0024938 k( 236) = ( 0.3137398 0.6862602 -0.3137398), wk = 0.0024938 k( 237) = ( 0.3084180 0.6915820 -0.3084180), wk = 0.0024938 k( 238) = ( 0.3030963 0.6969037 -0.3030963), wk = 0.0024938 k( 239) = ( 0.2977746 0.7022254 -0.2977746), wk = 0.0024938 k( 240) = ( 0.2924529 0.7075471 -0.2924529), wk = 0.0024938 k( 241) = ( 0.2871312 0.7128688 -0.2871312), wk = 0.0024938 k( 242) = ( 0.2818094 0.7181906 -0.2818094), wk = 0.0024938 k( 243) = ( 0.2764877 0.7235123 -0.2764877), wk = 0.0024938 k( 244) = ( 0.2711660 0.7288340 -0.2711660), wk = 0.0024938 k( 245) = ( 0.2711660 0.7288340 -0.2711660), wk = 0.0024938 k( 246) = ( 0.2530883 0.7135784 -0.2530883), wk = 0.0024938 k( 247) = ( 0.2350105 0.6983228 -0.2350105), wk = 0.0024938 k( 248) = ( 0.2169328 0.6830672 -0.2169328), wk = 0.0024938 k( 249) = ( 0.1988551 0.6678116 -0.1988551), wk = 0.0024938 k( 250) = ( 0.1807773 0.6525560 -0.1807773), wk = 0.0024938 k( 251) = ( 0.1626996 0.6373004 -0.1626996), wk = 0.0024938 k( 252) = ( 0.1446219 0.6220448 -0.1446219), wk = 0.0024938 k( 253) = ( 0.1265441 0.6067892 -0.1265441), wk = 0.0024938 k( 254) = ( 0.1084664 0.5915336 -0.1084664), wk = 0.0024938 k( 255) = ( 0.0903887 0.5762780 -0.0903887), wk = 0.0024938 k( 256) = ( 0.0723109 0.5610224 -0.0723109), wk = 0.0024938 k( 257) = ( 0.0542332 0.5457668 -0.0542332), wk = 0.0024938 k( 258) = ( 0.0361555 0.5305112 -0.0361555), wk = 0.0024938 k( 259) = ( 0.0180777 0.5152556 -0.0180777), wk = 0.0024938 k( 260) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024938 k( 261) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024938 k( 262) = ( 0.0053191 0.4946809 0.0053191), wk = 0.0024938 k( 263) = ( 0.0106383 0.4893617 0.0106383), wk = 0.0024938 k( 264) = ( 0.0159575 0.4840426 0.0159574), wk = 0.0024938 k( 265) = ( 0.0212766 0.4787234 0.0212766), wk = 0.0024938 k( 266) = ( 0.0265957 0.4734043 0.0265957), wk = 0.0024938 k( 267) = ( 0.0319149 0.4680851 0.0319149), wk = 0.0024938 k( 268) = ( 0.0372340 0.4627660 0.0372340), wk = 0.0024938 k( 269) = ( 0.0425532 0.4574468 0.0425532), wk = 0.0024938 k( 270) = ( 0.0478723 0.4521277 0.0478723), wk = 0.0024938 k( 271) = ( 0.0531915 0.4468085 0.0531915), wk = 0.0024938 k( 272) = ( 0.0585106 0.4414894 0.0585106), wk = 0.0024938 k( 273) = ( 0.0638298 0.4361702 0.0638298), wk = 0.0024938 k( 274) = ( 0.0691489 0.4308511 0.0691489), wk = 0.0024938 k( 275) = ( 0.0744681 0.4255319 0.0744681), wk = 0.0024938 k( 276) = ( 0.0797872 0.4202128 0.0797872), wk = 0.0024938 k( 277) = ( 0.0851064 0.4148936 0.0851064), wk = 0.0024938 k( 278) = ( 0.0904255 0.4095745 0.0904255), wk = 0.0024938 k( 279) = ( 0.0957447 0.4042553 0.0957447), wk = 0.0024938 k( 280) = ( 0.1010638 0.3989362 0.1010638), wk = 0.0024938 k( 281) = ( 0.1063830 0.3936170 0.1063830), wk = 0.0024938 k( 282) = ( 0.1117021 0.3882979 0.1117021), wk = 0.0024938 k( 283) = ( 0.1170213 0.3829787 0.1170213), wk = 0.0024938 k( 284) = ( 0.1223404 0.3776596 0.1223404), wk = 0.0024938 k( 285) = ( 0.1276596 0.3723404 0.1276596), wk = 0.0024938 k( 286) = ( 0.1329787 0.3670213 0.1329787), wk = 0.0024938 k( 287) = ( 0.1382979 0.3617021 0.1382979), wk = 0.0024938 k( 288) = ( 0.1436170 0.3563830 0.1436170), wk = 0.0024938 k( 289) = ( 0.1489362 0.3510638 0.1489362), wk = 0.0024938 k( 290) = ( 0.1542553 0.3457447 0.1542553), wk = 0.0024938 k( 291) = ( 0.1595745 0.3404255 0.1595745), wk = 0.0024938 k( 292) = ( 0.1648936 0.3351064 0.1648936), wk = 0.0024938 k( 293) = ( 0.1702128 0.3297872 0.1702128), wk = 0.0024938 k( 294) = ( 0.1755319 0.3244681 0.1755319), wk = 0.0024938 k( 295) = ( 0.1808511 0.3191489 0.1808511), wk = 0.0024938 k( 296) = ( 0.1861702 0.3138298 0.1861702), wk = 0.0024938 k( 297) = ( 0.1914894 0.3085106 0.1914894), wk = 0.0024938 k( 298) = ( 0.1968085 0.3031915 0.1968085), wk = 0.0024938 k( 299) = ( 0.2021277 0.2978723 0.2021277), wk = 0.0024938 k( 300) = ( 0.2074468 0.2925532 0.2074468), wk = 0.0024938 k( 301) = ( 0.2127660 0.2872340 0.2127660), wk = 0.0024938 k( 302) = ( 0.2180851 0.2819149 0.2180851), wk = 0.0024938 k( 303) = ( 0.2234043 0.2765957 0.2234043), wk = 0.0024938 k( 304) = ( 0.2287234 0.2712766 0.2287234), wk = 0.0024938 k( 305) = ( 0.2340425 0.2659574 0.2340425), wk = 0.0024938 k( 306) = ( 0.2393617 0.2606383 0.2393617), wk = 0.0024938 k( 307) = ( 0.2446809 0.2553192 0.2446809), wk = 0.0024938 k( 308) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024938 k( 309) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024938 k( 310) = ( 0.2666667 0.2666667 0.2305112), wk = 0.0024938 k( 311) = ( 0.2833333 0.2833333 0.2110224), wk = 0.0024938 k( 312) = ( 0.3000000 0.3000000 0.1915336), wk = 0.0024938 k( 313) = ( 0.3166667 0.3166667 0.1720448), wk = 0.0024938 k( 314) = ( 0.3333333 0.3333333 0.1525560), wk = 0.0024938 k( 315) = ( 0.3500000 0.3500000 0.1330672), wk = 0.0024938 k( 316) = ( 0.3666667 0.3666667 0.1135784), wk = 0.0024938 k( 317) = ( 0.3833333 0.3833333 0.0940896), wk = 0.0024938 k( 318) = ( 0.4000000 0.4000000 0.0746008), wk = 0.0024938 k( 319) = ( 0.4166667 0.4166667 0.0551120), wk = 0.0024938 k( 320) = ( 0.4333333 0.4333333 0.0356232), wk = 0.0024938 k( 321) = ( 0.4500000 0.4500000 0.0161344), wk = 0.0024938 k( 322) = ( 0.4666667 0.4666667 -0.0033544), wk = 0.0024938 k( 323) = ( 0.4833333 0.4833333 -0.0228432), wk = 0.0024938 k( 324) = ( 0.5000000 0.5000000 -0.0423320), wk = 0.0024938 k( 325) = ( 0.5000000 0.5000000 -0.0423320), wk = 0.0024938 k( 326) = ( 0.5000000 0.5000000 -0.0498347), wk = 0.0024938 k( 327) = ( 0.5000000 0.5000000 -0.0573375), wk = 0.0024938 k( 328) = ( 0.5000000 0.5000000 -0.0648403), wk = 0.0024938 k( 329) = ( 0.5000000 0.5000000 -0.0723430), wk = 0.0024938 k( 330) = ( 0.5000000 0.5000000 -0.0798458), wk = 0.0024938 k( 331) = ( 0.5000000 0.5000000 -0.0873485), wk = 0.0024938 k( 332) = ( 0.5000000 0.5000000 -0.0948513), wk = 0.0024938 k( 333) = ( 0.5000000 0.5000000 -0.1023540), wk = 0.0024938 k( 334) = ( 0.5000000 0.5000000 -0.1098568), wk = 0.0024938 k( 335) = ( 0.5000000 0.5000000 -0.1173595), wk = 0.0024938 k( 336) = ( 0.5000000 0.5000000 -0.1248623), wk = 0.0024938 k( 337) = ( 0.5000000 0.5000000 -0.1323651), wk = 0.0024938 k( 338) = ( 0.5000000 0.5000000 -0.1398678), wk = 0.0024938 k( 339) = ( 0.5000000 0.5000000 -0.1473705), wk = 0.0024938 k( 340) = ( 0.5000000 0.5000000 -0.1548733), wk = 0.0024938 k( 341) = ( 0.5000000 0.5000000 -0.1623761), wk = 0.0024938 k( 342) = ( 0.5000000 0.5000000 -0.1698788), wk = 0.0024938 k( 343) = ( 0.5000000 0.5000000 -0.1773816), wk = 0.0024938 k( 344) = ( 0.5000000 0.5000000 -0.1848843), wk = 0.0024938 k( 345) = ( 0.5000000 0.5000000 -0.1923871), wk = 0.0024938 k( 346) = ( 0.5000000 0.5000000 -0.1998898), wk = 0.0024938 k( 347) = ( 0.5000000 0.5000000 -0.2073926), wk = 0.0024938 k( 348) = ( 0.5000000 0.5000000 -0.2148953), wk = 0.0024938 k( 349) = ( 0.5000000 0.5000000 -0.2223981), wk = 0.0024938 k( 350) = ( 0.5000000 0.5000000 -0.2299009), wk = 0.0024938 k( 351) = ( 0.5000000 0.5000000 -0.2374036), wk = 0.0024938 k( 352) = ( 0.5000000 0.5000000 -0.2449064), wk = 0.0024938 k( 353) = ( 0.5000000 0.5000000 -0.2524091), wk = 0.0024938 k( 354) = ( 0.5000000 0.5000000 -0.2599119), wk = 0.0024938 k( 355) = ( 0.5000000 0.5000000 -0.2674146), wk = 0.0024938 k( 356) = ( 0.5000000 0.5000000 -0.2749174), wk = 0.0024938 k( 357) = ( 0.5000000 0.5000000 -0.2824201), wk = 0.0024938 k( 358) = ( 0.5000000 0.5000000 -0.2899229), wk = 0.0024938 k( 359) = ( 0.5000000 0.5000000 -0.2974256), wk = 0.0024938 k( 360) = ( 0.5000000 0.5000000 -0.3049284), wk = 0.0024938 k( 361) = ( 0.5000000 0.5000000 -0.3124311), wk = 0.0024938 k( 362) = ( 0.5000000 0.5000000 -0.3199339), wk = 0.0024938 k( 363) = ( 0.5000000 0.5000000 -0.3274366), wk = 0.0024938 k( 364) = ( 0.5000000 0.5000000 -0.3349394), wk = 0.0024938 k( 365) = ( 0.5000000 0.5000000 -0.3424422), wk = 0.0024938 k( 366) = ( 0.5000000 0.5000000 -0.3499449), wk = 0.0024938 k( 367) = ( 0.5000000 0.5000000 -0.3574477), wk = 0.0024938 k( 368) = ( 0.5000000 0.5000000 -0.3649504), wk = 0.0024938 k( 369) = ( 0.5000000 0.5000000 -0.3724532), wk = 0.0024938 k( 370) = ( 0.5000000 0.5000000 -0.3799559), wk = 0.0024938 k( 371) = ( 0.5000000 0.5000000 -0.3874587), wk = 0.0024938 k( 372) = ( 0.5000000 0.5000000 -0.3949614), wk = 0.0024938 k( 373) = ( 0.5000000 0.5000000 -0.4024642), wk = 0.0024938 k( 374) = ( 0.5000000 0.5000000 -0.4099670), wk = 0.0024938 k( 375) = ( 0.5000000 0.5000000 -0.4174697), wk = 0.0024938 k( 376) = ( 0.5000000 0.5000000 -0.4249725), wk = 0.0024938 k( 377) = ( 0.5000000 0.5000000 -0.4324752), wk = 0.0024938 k( 378) = ( 0.5000000 0.5000000 -0.4399780), wk = 0.0024938 k( 379) = ( 0.5000000 0.5000000 -0.4474807), wk = 0.0024938 k( 380) = ( 0.5000000 0.5000000 -0.4549835), wk = 0.0024938 k( 381) = ( 0.5000000 0.5000000 -0.4624862), wk = 0.0024938 k( 382) = ( 0.5000000 0.5000000 -0.4699890), wk = 0.0024938 k( 383) = ( 0.5000000 0.5000000 -0.4774917), wk = 0.0024938 k( 384) = ( 0.5000000 0.5000000 -0.4849945), wk = 0.0024938 k( 385) = ( 0.5000000 0.5000000 -0.4924973), wk = 0.0024938 k( 386) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024938 k( 387) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 388) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0024938 k( 389) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0024938 k( 390) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0024938 k( 391) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0024938 k( 392) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0024938 k( 393) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0024938 k( 394) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024938 k( 395) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0024938 k( 396) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0024938 k( 397) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0024938 k( 398) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0024938 k( 399) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0024938 k( 400) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0024938 k( 401) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024938 Dense grid: 62143 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 19443 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 144, 44) NL pseudopotentials 0.11 Mb ( 72, 102) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1727) G-vector shells 0.01 Mb ( 798) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 144, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./Hf2Hg.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.7 secs Computing kpt #: 15 total cpu time spent up to now is 12.3 secs Computing kpt #: 16 total cpu time spent up to now is 12.9 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.3 secs Computing kpt #: 21 total cpu time spent up to now is 15.8 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.8 secs Computing kpt #: 24 total cpu time spent up to now is 17.3 secs Computing kpt #: 25 total cpu time spent up to now is 17.8 secs Computing kpt #: 26 total cpu time spent up to now is 18.3 secs Computing kpt #: 27 total cpu time spent up to now is 18.8 secs Computing kpt #: 28 total cpu time spent up to now is 19.3 secs Computing kpt #: 29 total cpu time spent up to now is 19.8 secs Computing kpt #: 30 total cpu time spent up to now is 20.3 secs Computing kpt #: 31 total cpu time spent up to now is 20.7 secs Computing kpt #: 32 total cpu time spent up to now is 21.2 secs Computing kpt #: 33 total cpu time spent up to now is 21.7 secs Computing kpt #: 34 total cpu time spent up to now is 22.2 secs Computing kpt #: 35 total cpu time spent up to now is 22.7 secs Computing kpt #: 36 total cpu time spent up to now is 23.2 secs Computing kpt #: 37 total cpu time spent up to now is 23.7 secs Computing kpt #: 38 total cpu time spent up to now is 24.2 secs Computing kpt #: 39 total cpu time spent up to now is 24.6 secs Computing kpt #: 40 total cpu time spent up to now is 25.2 secs Computing kpt #: 41 total cpu time spent up to now is 25.8 secs Computing kpt #: 42 total cpu time spent up to now is 26.3 secs Computing kpt #: 43 total cpu time spent up to now is 26.8 secs Computing kpt #: 44 total cpu time spent up to now is 27.4 secs Computing kpt #: 45 total cpu time spent up to now is 28.0 secs Computing kpt #: 46 total cpu time spent up to now is 28.5 secs Computing kpt #: 47 total cpu time spent up to now is 29.1 secs Computing kpt #: 48 total cpu time spent up to now is 29.7 secs Computing kpt #: 49 total cpu time spent up to now is 30.3 secs Computing kpt #: 50 total cpu time spent up to now is 30.9 secs Computing kpt #: 51 total cpu time spent up to now is 31.5 secs Computing kpt #: 52 total cpu time spent up to now is 32.1 secs Computing kpt #: 53 total cpu time spent up to now is 32.8 secs Computing kpt #: 54 total cpu time spent up to now is 33.4 secs Computing kpt #: 55 total cpu time spent up to now is 34.1 secs Computing kpt #: 56 total cpu time spent up to now is 34.8 secs Computing kpt #: 57 total cpu time spent up to now is 35.4 secs Computing kpt #: 58 total cpu time spent up to now is 36.1 secs Computing kpt #: 59 total cpu time spent up to now is 36.8 secs Computing kpt #: 60 total cpu time spent up to now is 37.4 secs Computing kpt #: 61 total cpu time spent up to now is 38.1 secs Computing kpt #: 62 total cpu time spent up to now is 38.7 secs Computing kpt #: 63 total cpu time spent up to now is 39.4 secs Computing kpt #: 64 total cpu time spent up to now is 40.0 secs Computing kpt #: 65 total cpu time spent up to now is 40.7 secs Computing kpt #: 66 total cpu time spent up to now is 41.3 secs Computing kpt #: 67 total cpu time spent up to now is 42.0 secs Computing kpt #: 68 total cpu time spent up to now is 42.7 secs Computing kpt #: 69 total cpu time spent up to now is 43.4 secs Computing kpt #: 70 total cpu time spent up to now is 44.0 secs Computing kpt #: 71 total cpu time spent up to now is 44.7 secs Computing kpt #: 72 total cpu time spent up to now is 45.3 secs Computing kpt #: 73 total cpu time spent up to now is 46.2 secs Computing kpt #: 74 total cpu time spent up to now is 46.9 secs Computing kpt #: 75 total cpu time spent up to now is 47.6 secs Computing kpt #: 76 total cpu time spent up to now is 48.2 secs Computing kpt #: 77 total cpu time spent up to now is 48.9 secs Computing kpt #: 78 total cpu time spent up to now is 49.6 secs Computing kpt #: 79 total cpu time spent up to now is 50.3 secs Computing kpt #: 80 total cpu time spent up to now is 50.9 secs Computing kpt #: 81 total cpu time spent up to now is 51.6 secs Computing kpt #: 82 total cpu time spent up to now is 52.3 secs Computing kpt #: 83 total cpu time spent up to now is 53.0 secs Computing kpt #: 84 total cpu time spent up to now is 53.6 secs Computing kpt #: 85 total cpu time spent up to now is 54.3 secs Computing kpt #: 86 total cpu time spent up to now is 54.9 secs Computing kpt #: 87 total cpu time spent up to now is 55.5 secs Computing kpt #: 88 total cpu time spent up to now is 56.1 secs Computing kpt #: 89 total cpu time spent up to now is 56.7 secs Computing kpt #: 90 total cpu time spent up to now is 57.3 secs Computing kpt #: 91 total cpu time spent up to now is 57.9 secs Computing kpt #: 92 total cpu time spent up to now is 58.5 secs Computing kpt #: 93 total cpu time spent up to now is 59.0 secs Computing kpt #: 94 total cpu time spent up to now is 59.6 secs Computing kpt #: 95 total cpu time spent up to now is 60.2 secs Computing kpt #: 96 total cpu time spent up to now is 60.7 secs Computing kpt #: 97 total cpu time spent up to now is 61.2 secs Computing kpt #: 98 total cpu time spent up to now is 61.7 secs Computing kpt #: 99 total cpu time spent up to now is 62.2 secs Computing kpt #: 100 total cpu time spent up to now is 62.7 secs Computing kpt #: 101 total cpu time spent up to now is 63.2 secs Computing kpt #: 102 total cpu time spent up to now is 63.7 secs Computing kpt #: 103 total cpu time spent up to now is 64.2 secs Computing kpt #: 104 total cpu time spent up to now is 64.7 secs Computing kpt #: 105 total cpu time spent up to now is 65.2 secs Computing kpt #: 106 total cpu time spent up to now is 65.7 secs Computing kpt #: 107 total cpu time spent up to now is 66.2 secs Computing kpt #: 108 total cpu time spent up to now is 66.7 secs Computing kpt #: 109 total cpu time spent up to now is 67.2 secs Computing kpt #: 110 total cpu time spent up to now is 67.6 secs Computing kpt #: 111 total cpu time spent up to now is 68.1 secs Computing kpt #: 112 total cpu time spent up to now is 68.6 secs Computing kpt #: 113 total cpu time spent up to now is 69.1 secs Computing kpt #: 114 total cpu time spent up to now is 69.6 secs Computing kpt #: 115 total cpu time spent up to now is 70.0 secs Computing kpt #: 116 total cpu time spent up to now is 70.5 secs Computing kpt #: 117 total cpu time spent up to now is 71.0 secs Computing kpt #: 118 total cpu time spent up to now is 71.4 secs Computing kpt #: 119 total cpu time spent up to now is 71.9 secs Computing kpt #: 120 total cpu time spent up to now is 72.3 secs Computing kpt #: 121 total cpu time spent up to now is 72.8 secs Computing kpt #: 122 total cpu time spent up to now is 73.3 secs Computing kpt #: 123 total cpu time spent up to now is 73.7 secs Computing kpt #: 124 total cpu time spent up to now is 74.2 secs Computing kpt #: 125 total cpu time spent up to now is 74.7 secs Computing kpt #: 126 total cpu time spent up to now is 75.1 secs Computing kpt #: 127 total cpu time spent up to now is 75.6 secs Computing kpt #: 128 total cpu time spent up to now is 76.1 secs Computing kpt #: 129 total cpu time spent up to now is 76.6 secs Computing kpt #: 130 total cpu time spent up to now is 77.0 secs Computing kpt #: 131 total cpu time spent up to now is 77.5 secs Computing kpt #: 132 total cpu time spent up to now is 77.9 secs Computing kpt #: 133 total cpu time spent up to now is 78.4 secs Computing kpt #: 134 total cpu time spent up to now is 78.9 secs Computing kpt #: 135 total cpu time spent up to now is 79.4 secs Computing kpt #: 136 total cpu time spent up to now is 79.8 secs Computing kpt #: 137 total cpu time spent up to now is 80.3 secs Computing kpt #: 138 total cpu time spent up to now is 80.8 secs Computing kpt #: 139 total cpu time spent up to now is 81.2 secs Computing kpt #: 140 total cpu time spent up to now is 81.7 secs Computing kpt #: 141 total cpu time spent up to now is 82.2 secs Computing kpt #: 142 total cpu time spent up to now is 82.6 secs Computing kpt #: 143 total cpu time spent up to now is 83.1 secs Computing kpt #: 144 total cpu time spent up to now is 83.6 secs Computing kpt #: 145 total cpu time spent up to now is 84.0 secs Computing kpt #: 146 total cpu time spent up to now is 84.5 secs Computing kpt #: 147 total cpu time spent up to now is 84.9 secs Computing kpt #: 148 total cpu time spent up to now is 85.4 secs Computing kpt #: 149 total cpu time spent up to now is 85.9 secs Computing kpt #: 150 total cpu time spent up to now is 86.3 secs Computing kpt #: 151 total cpu time spent up to now is 86.8 secs Computing kpt #: 152 total cpu time spent up to now is 87.3 secs Computing kpt #: 153 total cpu time spent up to now is 87.7 secs Computing kpt #: 154 total cpu time spent up to now is 88.2 secs Computing kpt #: 155 total cpu time spent up to now is 88.7 secs Computing kpt #: 156 total cpu time spent up to now is 89.2 secs Computing kpt #: 157 total cpu time spent up to now is 89.6 secs Computing kpt #: 158 total cpu time spent up to now is 90.1 secs Computing kpt #: 159 total cpu time spent up to now is 90.6 secs Computing kpt #: 160 total cpu time spent up to now is 91.1 secs Computing kpt #: 161 total cpu time spent up to now is 91.6 secs Computing kpt #: 162 total cpu time spent up to now is 92.1 secs Computing kpt #: 163 total cpu time spent up to now is 92.6 secs Computing kpt #: 164 total cpu time spent up to now is 93.2 secs Computing kpt #: 165 total cpu time spent up to now is 93.7 secs Computing kpt #: 166 total cpu time spent up to now is 94.3 secs Computing kpt #: 167 total cpu time spent up to now is 94.9 secs Computing kpt #: 168 total cpu time spent up to now is 95.5 secs Computing kpt #: 169 total cpu time spent up to now is 96.1 secs Computing kpt #: 170 total cpu time spent up to now is 96.8 secs Computing kpt #: 171 total cpu time spent up to now is 97.6 secs Computing kpt #: 172 total cpu time spent up to now is 98.3 secs Computing kpt #: 173 total cpu time spent up to now is 99.0 secs Computing kpt #: 174 total cpu time spent up to now is 99.7 secs Computing kpt #: 175 total cpu time spent up to now is 100.4 secs Computing kpt #: 176 total cpu time spent up to now is 101.1 secs Computing kpt #: 177 total cpu time spent up to now is 101.8 secs Computing kpt #: 178 total cpu time spent up to now is 102.5 secs Computing kpt #: 179 total cpu time spent up to now is 103.2 secs Computing kpt #: 180 total cpu time spent up to now is 103.9 secs Computing kpt #: 181 total cpu time spent up to now is 104.5 secs Computing kpt #: 182 total cpu time spent up to now is 105.2 secs Computing kpt #: 183 total cpu time spent up to now is 105.9 secs Computing kpt #: 184 total cpu time spent up to now is 106.8 secs Computing kpt #: 185 total cpu time spent up to now is 107.8 secs Computing kpt #: 186 total cpu time spent up to now is 109.0 secs Computing kpt #: 187 total cpu time spent up to now is 109.6 secs Computing kpt #: 188 total cpu time spent up to now is 110.2 secs Computing kpt #: 189 total cpu time spent up to now is 110.8 secs Computing kpt #: 190 total cpu time spent up to now is 111.4 secs Computing kpt #: 191 total cpu time spent up to now is 112.0 secs Computing kpt #: 192 total cpu time spent up to now is 112.5 secs Computing kpt #: 193 total cpu time spent up to now is 113.1 secs Computing kpt #: 194 total cpu time spent up to now is 113.7 secs Computing kpt #: 195 total cpu time spent up to now is 114.2 secs Computing kpt #: 196 total cpu time spent up to now is 114.8 secs Computing kpt #: 197 total cpu time spent up to now is 115.3 secs Computing kpt #: 198 total cpu time spent up to now is 115.8 secs Computing kpt #: 199 total cpu time spent up to now is 116.3 secs Computing kpt #: 200 total cpu time spent up to now is 116.8 secs Computing kpt #: 201 total cpu time spent up to now is 117.2 secs Computing kpt #: 202 total cpu time spent up to now is 117.8 secs Computing kpt #: 203 total cpu time spent up to now is 118.3 secs Computing kpt #: 204 total cpu time spent up to now is 118.8 secs Computing kpt #: 205 total cpu time spent up to now is 119.4 secs Computing kpt #: 206 total cpu time spent up to now is 120.0 secs Computing kpt #: 207 total cpu time spent up to now is 120.5 secs Computing kpt #: 208 total cpu time spent up to now is 121.1 secs Computing kpt #: 209 total cpu time spent up to now is 122.5 secs Computing kpt #: 210 total cpu time spent up to now is 123.0 secs Computing kpt #: 211 total cpu time spent up to now is 123.5 secs Computing kpt #: 212 total cpu time spent up to now is 124.0 secs Computing kpt #: 213 total cpu time spent up to now is 124.5 secs Computing kpt #: 214 total cpu time spent up to now is 125.1 secs Computing kpt #: 215 total cpu time spent up to now is 125.6 secs Computing kpt #: 216 total cpu time spent up to now is 126.1 secs Computing kpt #: 217 total cpu time spent up to now is 126.7 secs Computing kpt #: 218 total cpu time spent up to now is 127.3 secs Computing kpt #: 219 total cpu time spent up to now is 127.8 secs Computing kpt #: 220 total cpu time spent up to now is 128.4 secs Computing kpt #: 221 total cpu time spent up to now is 129.0 secs Computing kpt #: 222 total cpu time spent up to now is 129.6 secs Computing kpt #: 223 total cpu time spent up to now is 130.1 secs Computing kpt #: 224 total cpu time spent up to now is 130.7 secs Computing kpt #: 225 total cpu time spent up to now is 131.3 secs Computing kpt #: 226 total cpu time spent up to now is 131.8 secs Computing kpt #: 227 total cpu time spent up to now is 132.3 secs Computing kpt #: 228 total cpu time spent up to now is 132.9 secs Computing kpt #: 229 total cpu time spent up to now is 133.4 secs Computing kpt #: 230 total cpu time spent up to now is 133.9 secs Computing kpt #: 231 total cpu time spent up to now is 134.4 secs Computing kpt #: 232 total cpu time spent up to now is 134.9 secs Computing kpt #: 233 total cpu time spent up to now is 135.4 secs Computing kpt #: 234 total cpu time spent up to now is 135.9 secs Computing kpt #: 235 total cpu time spent up to now is 136.3 secs Computing kpt #: 236 total cpu time spent up to now is 136.8 secs Computing kpt #: 237 total cpu time spent up to now is 137.3 secs Computing kpt #: 238 total cpu time spent up to now is 137.8 secs Computing kpt #: 239 total cpu time spent up to now is 138.2 secs Computing kpt #: 240 total cpu time spent up to now is 138.7 secs Computing kpt #: 241 total cpu time spent up to now is 139.2 secs Computing kpt #: 242 total cpu time spent up to now is 139.6 secs Computing kpt #: 243 total cpu time spent up to now is 140.1 secs Computing kpt #: 244 total cpu time spent up to now is 140.5 secs Computing kpt #: 245 total cpu time spent up to now is 141.0 secs Computing kpt #: 246 total cpu time spent up to now is 141.5 secs Computing kpt #: 247 total cpu time spent up to now is 141.9 secs Computing kpt #: 248 total cpu time spent up to now is 142.4 secs Computing kpt #: 249 total cpu time spent up to now is 142.9 secs Computing kpt #: 250 total cpu time spent up to now is 143.4 secs Computing kpt #: 251 total cpu time spent up to now is 143.8 secs Computing kpt #: 252 total cpu time spent up to now is 144.3 secs Computing kpt #: 253 total cpu time spent up to now is 144.8 secs Computing kpt #: 254 total cpu time spent up to now is 145.2 secs Computing kpt #: 255 total cpu time spent up to now is 145.7 secs Computing kpt #: 256 total cpu time spent up to now is 146.2 secs Computing kpt #: 257 total cpu time spent up to now is 146.6 secs Computing kpt #: 258 total cpu time spent up to now is 147.1 secs Computing kpt #: 259 total cpu time spent up to now is 147.5 secs Computing kpt #: 260 total cpu time spent up to now is 148.0 secs Computing kpt #: 261 total cpu time spent up to now is 148.4 secs Computing kpt #: 262 total cpu time spent up to now is 148.9 secs Computing kpt #: 263 total cpu time spent up to now is 149.4 secs Computing kpt #: 264 total cpu time spent up to now is 149.8 secs Computing kpt #: 265 total cpu time spent up to now is 150.3 secs Computing kpt #: 266 total cpu time spent up to now is 150.8 secs Computing kpt #: 267 total cpu time spent up to now is 151.2 secs Computing kpt #: 268 total cpu time spent up to now is 151.7 secs Computing kpt #: 269 total cpu time spent up to now is 152.2 secs Computing kpt #: 270 total cpu time spent up to now is 152.7 secs Computing kpt #: 271 total cpu time spent up to now is 153.2 secs Computing kpt #: 272 total cpu time spent up to now is 153.7 secs Computing kpt #: 273 total cpu time spent up to now is 154.2 secs Computing kpt #: 274 total cpu time spent up to now is 154.7 secs Computing kpt #: 275 total cpu time spent up to now is 155.2 secs Computing kpt #: 276 total cpu time spent up to now is 155.7 secs Computing kpt #: 277 total cpu time spent up to now is 156.1 secs Computing kpt #: 278 total cpu time spent up to now is 156.6 secs Computing kpt #: 279 total cpu time spent up to now is 157.1 secs Computing kpt #: 280 total cpu time spent up to now is 157.6 secs Computing kpt #: 281 total cpu time spent up to now is 158.2 secs Computing kpt #: 282 total cpu time spent up to now is 158.8 secs Computing kpt #: 283 total cpu time spent up to now is 159.3 secs Computing kpt #: 284 total cpu time spent up to now is 159.9 secs Computing kpt #: 285 total cpu time spent up to now is 160.5 secs Computing kpt #: 286 total cpu time spent up to now is 161.3 secs Computing kpt #: 287 total cpu time spent up to now is 161.9 secs Computing kpt #: 288 total cpu time spent up to now is 162.5 secs Computing kpt #: 289 total cpu time spent up to now is 163.1 secs Computing kpt #: 290 total cpu time spent up to now is 163.6 secs Computing kpt #: 291 total cpu time spent up to now is 164.1 secs Computing kpt #: 292 total cpu time spent up to now is 164.7 secs Computing kpt #: 293 total cpu time spent up to now is 165.2 secs Computing kpt #: 294 total cpu time spent up to now is 165.7 secs Computing kpt #: 295 total cpu time spent up to now is 166.4 secs Computing kpt #: 296 total cpu time spent up to now is 167.0 secs Computing kpt #: 297 total cpu time spent up to now is 167.6 secs Computing kpt #: 298 total cpu time spent up to now is 168.2 secs Computing kpt #: 299 total cpu time spent up to now is 168.9 secs Computing kpt #: 300 total cpu time spent up to now is 169.5 secs Computing kpt #: 301 total cpu time spent up to now is 170.1 secs Computing kpt #: 302 total cpu time spent up to now is 170.8 secs Computing kpt #: 303 total cpu time spent up to now is 171.5 secs Computing kpt #: 304 total cpu time spent up to now is 172.1 secs Computing kpt #: 305 total cpu time spent up to now is 172.8 secs Computing kpt #: 306 total cpu time spent up to now is 173.4 secs Computing kpt #: 307 total cpu time spent up to now is 174.1 secs Computing kpt #: 308 total cpu time spent up to now is 174.9 secs Computing kpt #: 309 total cpu time spent up to now is 175.7 secs Computing kpt #: 310 total cpu time spent up to now is 176.4 secs Computing kpt #: 311 total cpu time spent up to now is 177.1 secs Computing kpt #: 312 total cpu time spent up to now is 177.7 secs Computing kpt #: 313 total cpu time spent up to now is 178.4 secs Computing kpt #: 314 total cpu time spent up to now is 179.1 secs Computing kpt #: 315 total cpu time spent up to now is 179.7 secs Computing kpt #: 316 total cpu time spent up to now is 180.3 secs Computing kpt #: 317 total cpu time spent up to now is 180.8 secs Computing kpt #: 318 total cpu time spent up to now is 181.4 secs Computing kpt #: 319 total cpu time spent up to now is 181.9 secs Computing kpt #: 320 total cpu time spent up to now is 182.5 secs Computing kpt #: 321 total cpu time spent up to now is 183.1 secs Computing kpt #: 322 total cpu time spent up to now is 183.7 secs Computing kpt #: 323 total cpu time spent up to now is 184.4 secs Computing kpt #: 324 total cpu time spent up to now is 185.0 secs Computing kpt #: 325 total cpu time spent up to now is 185.7 secs Computing kpt #: 326 total cpu time spent up to now is 186.4 secs Computing kpt #: 327 total cpu time spent up to now is 187.0 secs Computing kpt #: 328 total cpu time spent up to now is 187.7 secs Computing kpt #: 329 total cpu time spent up to now is 188.4 secs Computing kpt #: 330 total cpu time spent up to now is 189.1 secs Computing kpt #: 331 total cpu time spent up to now is 189.7 secs Computing kpt #: 332 total cpu time spent up to now is 190.4 secs Computing kpt #: 333 total cpu time spent up to now is 191.1 secs Computing kpt #: 334 total cpu time spent up to now is 191.8 secs Computing kpt #: 335 total cpu time spent up to now is 192.4 secs Computing kpt #: 336 total cpu time spent up to now is 193.0 secs Computing kpt #: 337 total cpu time spent up to now is 193.6 secs Computing kpt #: 338 total cpu time spent up to now is 194.2 secs Computing kpt #: 339 total cpu time spent up to now is 194.7 secs Computing kpt #: 340 total cpu time spent up to now is 195.3 secs Computing kpt #: 341 total cpu time spent up to now is 195.8 secs Computing kpt #: 342 total cpu time spent up to now is 196.4 secs Computing kpt #: 343 total cpu time spent up to now is 196.9 secs Computing kpt #: 344 total cpu time spent up to now is 197.5 secs Computing kpt #: 345 total cpu time spent up to now is 198.0 secs Computing kpt #: 346 total cpu time spent up to now is 198.6 secs Computing kpt #: 347 total cpu time spent up to now is 199.2 secs Computing kpt #: 348 total cpu time spent up to now is 199.8 secs Computing kpt #: 349 total cpu time spent up to now is 200.3 secs Computing kpt #: 350 total cpu time spent up to now is 200.9 secs Computing kpt #: 351 total cpu time spent up to now is 201.5 secs Computing kpt #: 352 total cpu time spent up to now is 202.1 secs Computing kpt #: 353 total cpu time spent up to now is 202.8 secs Computing kpt #: 354 total cpu time spent up to now is 203.7 secs Computing kpt #: 355 total cpu time spent up to now is 204.4 secs Computing kpt #: 356 total cpu time spent up to now is 205.1 secs Computing kpt #: 357 total cpu time spent up to now is 205.7 secs Computing kpt #: 358 total cpu time spent up to now is 206.4 secs Computing kpt #: 359 total cpu time spent up to now is 207.0 secs Computing kpt #: 360 total cpu time spent up to now is 207.6 secs Computing kpt #: 361 total cpu time spent up to now is 208.1 secs Computing kpt #: 362 total cpu time spent up to now is 208.7 secs Computing kpt #: 363 total cpu time spent up to now is 209.2 secs Computing kpt #: 364 total cpu time spent up to now is 209.8 secs Computing kpt #: 365 total cpu time spent up to now is 210.4 secs Computing kpt #: 366 total cpu time spent up to now is 211.0 secs Computing kpt #: 367 total cpu time spent up to now is 211.7 secs Computing kpt #: 368 total cpu time spent up to now is 212.3 secs Computing kpt #: 369 total cpu time spent up to now is 213.1 secs Computing kpt #: 370 total cpu time spent up to now is 213.9 secs Computing kpt #: 371 total cpu time spent up to now is 214.6 secs Computing kpt #: 372 total cpu time spent up to now is 215.2 secs Computing kpt #: 373 total cpu time spent up to now is 215.8 secs Computing kpt #: 374 total cpu time spent up to now is 216.4 secs Computing kpt #: 375 total cpu time spent up to now is 217.0 secs Computing kpt #: 376 total cpu time spent up to now is 217.5 secs Computing kpt #: 377 total cpu time spent up to now is 218.1 secs Computing kpt #: 378 total cpu time spent up to now is 218.7 secs Computing kpt #: 379 total cpu time spent up to now is 219.3 secs Computing kpt #: 380 total cpu time spent up to now is 219.8 secs Computing kpt #: 381 total cpu time spent up to now is 220.4 secs Computing kpt #: 382 total cpu time spent up to now is 221.0 secs Computing kpt #: 383 total cpu time spent up to now is 221.5 secs Computing kpt #: 384 total cpu time spent up to now is 222.0 secs Computing kpt #: 385 total cpu time spent up to now is 222.5 secs Computing kpt #: 386 total cpu time spent up to now is 223.0 secs Computing kpt #: 387 total cpu time spent up to now is 223.6 secs Computing kpt #: 388 total cpu time spent up to now is 224.3 secs Computing kpt #: 389 total cpu time spent up to now is 224.9 secs Computing kpt #: 390 total cpu time spent up to now is 225.5 secs Computing kpt #: 391 total cpu time spent up to now is 226.1 secs Computing kpt #: 392 total cpu time spent up to now is 226.6 secs Computing kpt #: 393 total cpu time spent up to now is 227.1 secs Computing kpt #: 394 total cpu time spent up to now is 227.7 secs Computing kpt #: 395 total cpu time spent up to now is 228.3 secs Computing kpt #: 396 total cpu time spent up to now is 229.0 secs Computing kpt #: 397 total cpu time spent up to now is 229.7 secs Computing kpt #: 398 total cpu time spent up to now is 230.4 secs Computing kpt #: 399 total cpu time spent up to now is 231.1 secs Computing kpt #: 400 total cpu time spent up to now is 231.9 secs Computing kpt #: 401 total cpu time spent up to now is 232.6 secs ethr = 2.78E-08, avg # of iterations = 22.9 total cpu time spent up to now is 232.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2419 PWs) bands (ev): -47.2131 -47.2131 -47.1681 -47.1681 -21.5214 -21.5214 -21.3732 -21.3732 -13.9298 -13.9298 -13.7073 -13.7073 -13.5480 -13.5480 -13.4934 -13.4934 5.7926 5.7926 5.9608 5.9608 6.2190 6.2190 7.7449 7.7449 7.7775 7.7775 8.2406 8.2406 11.0185 11.0185 12.8081 12.8081 13.2624 13.2624 15.6752 15.6752 16.5949 16.5949 16.6512 16.6512 16.9425 16.9425 17.4774 17.4774 k = 0.0000 0.0000 0.0196 ( 2417 PWs) bands (ev): -47.2130 -47.2130 -47.1681 -47.1681 -21.5214 -21.5214 -21.3732 -21.3732 -13.9297 -13.9297 -13.7075 -13.7075 -13.5480 -13.5480 -13.4935 -13.4935 5.7943 5.7943 5.9611 5.9611 6.2194 6.2194 7.7448 7.7448 7.7776 7.7776 8.2400 8.2400 11.0208 11.0208 12.8075 12.8075 13.2637 13.2637 15.6742 15.6742 16.5881 16.5881 16.6476 16.6476 16.9435 16.9435 17.4489 17.4489 k = 0.0000 0.0000 0.0392 ( 2413 PWs) bands (ev): -47.2129 -47.2129 -47.1681 -47.1681 -21.5214 -21.5214 -21.3734 -21.3734 -13.9296 -13.9296 -13.7081 -13.7081 -13.5480 -13.5480 -13.4941 -13.4941 5.7993 5.7993 5.9620 5.9620 6.2206 6.2206 7.7444 7.7444 7.7778 7.7778 8.2385 8.2385 11.0277 11.0277 12.8058 12.8058 13.2675 13.2675 15.6712 15.6712 16.5683 16.5683 16.6375 16.6375 16.9451 16.9451 17.4049 17.4049 k = 0.0000 0.0000 0.0588 ( 2413 PWs) bands (ev): -47.2128 -47.2128 -47.1681 -47.1681 -21.5214 -21.5214 -21.3738 -21.3738 -13.9294 -13.9294 -13.7091 -13.7091 -13.5482 -13.5482 -13.4951 -13.4951 5.8077 5.8077 5.9634 5.9634 6.2227 6.2227 7.7436 7.7436 7.7782 7.7782 8.2358 8.2358 11.0392 11.0392 12.8029 12.8029 13.2739 13.2739 15.6661 15.6661 16.5375 16.5375 16.6220 16.6220 16.9439 16.9439 17.3660 17.3660 k = 0.0000 0.0000 0.0784 ( 2413 PWs) bands (ev): -47.2127 -47.2127 -47.1681 -47.1681 -21.5214 -21.5214 -21.3744 -21.3744 -13.9292 -13.9292 -13.7104 -13.7104 -13.5484 -13.5484 -13.4964 -13.4964 5.8192 5.8192 5.9654 5.9654 6.2257 6.2257 7.7427 7.7427 7.7788 7.7788 8.2322 8.2322 11.0553 11.0553 12.7989 12.7989 13.2827 13.2827 15.6589 15.6589 16.4985 16.4985 16.6014 16.6014 16.9367 16.9367 17.3367 17.3367 k = 0.0000 0.0000 0.0981 ( 2417 PWs) bands (ev): -47.2125 -47.2125 -47.1682 -47.1682 -21.5215 -21.5215 -21.3752 -21.3752 -13.9289 -13.9289 -13.7122 -13.7122 -13.5487 -13.5487 -13.4982 -13.4982 5.8337 5.8337 5.9679 5.9679 6.2297 6.2297 7.7414 7.7414 7.7796 7.7796 8.2275 8.2275 11.0758 11.0758 12.7939 12.7939 13.2939 13.2939 15.6497 15.6497 16.4542 16.4542 16.5754 16.5754 16.9224 16.9224 17.3185 17.3185 k = 0.0000 0.0000 0.1177 ( 2409 PWs) bands (ev): -47.2122 -47.2122 -47.1682 -47.1682 -21.5215 -21.5215 -21.3760 -21.3760 -13.9285 -13.9285 -13.7143 -13.7143 -13.5490 -13.5490 -13.5002 -13.5002 5.8511 5.8511 5.9710 5.9710 6.2350 6.2350 7.7400 7.7400 7.7805 7.7805 8.2218 8.2218 11.1009 11.1009 12.7879 12.7879 13.3076 13.3076 15.6385 15.6385 16.4067 16.4067 16.5442 16.5442 16.9020 16.9020 17.3104 17.3104 k = 0.0000 0.0000 0.1373 ( 2411 PWs) bands (ev): -47.2119 -47.2119 -47.1682 -47.1682 -21.5215 -21.5215 -21.3771 -21.3771 -13.9280 -13.9280 -13.7167 -13.7167 -13.5496 -13.5496 -13.5026 -13.5026 5.8710 5.8710 5.9747 5.9747 6.2416 6.2416 7.7384 7.7384 7.7817 7.7817 8.2152 8.2152 11.1302 11.1302 12.7809 12.7809 13.3236 13.3236 15.6252 15.6252 16.3575 16.3575 16.5081 16.5081 16.8776 16.8776 17.3103 17.3103 k = 0.0000 0.0000 0.1569 ( 2411 PWs) bands (ev): -47.2116 -47.2116 -47.1682 -47.1682 -21.5216 -21.5216 -21.3783 -21.3783 -13.9275 -13.9275 -13.7195 -13.7195 -13.5503 -13.5503 -13.5053 -13.5053 5.8929 5.8929 5.9791 5.9791 6.2500 6.2500 7.7366 7.7366 7.7831 7.7831 8.2076 8.2076 11.1639 11.1639 12.7732 12.7732 13.3419 13.3419 15.6099 15.6099 16.3077 16.3077 16.4679 16.4679 16.8514 16.8514 17.3159 17.3159 k = 0.0000 0.0000 0.1765 ( 2415 PWs) bands (ev): -47.2112 -47.2112 -47.1682 -47.1682 -21.5217 -21.5217 -21.3797 -21.3797 -13.9270 -13.9270 -13.7225 -13.7225 -13.5512 -13.5512 -13.5083 -13.5083 5.9163 5.9163 5.9842 5.9842 6.2606 6.2606 7.7348 7.7348 7.7848 7.7848 8.1991 8.1991 11.2018 11.2018 12.7647 12.7647 13.3623 13.3623 15.5925 15.5925 16.2581 16.2581 16.4245 16.4245 16.8248 16.8248 17.3251 17.3251 k = 0.0000 0.0000 0.1961 ( 2416 PWs) bands (ev): -47.2108 -47.2108 -47.1683 -47.1683 -21.5217 -21.5217 -21.3813 -21.3813 -13.9264 -13.9264 -13.7259 -13.7259 -13.5523 -13.5523 -13.5116 -13.5116 5.9401 5.9401 5.9904 5.9904 6.2738 6.2738 7.7329 7.7329 7.7866 7.7866 8.1897 8.1897 11.2437 11.2437 12.7556 12.7556 13.3848 13.3848 15.5732 15.5732 16.2093 16.2093 16.3790 16.3790 16.7987 16.7987 17.3365 17.3365 k = 0.0000 0.0000 0.2157 ( 2408 PWs) bands (ev): -47.2103 -47.2103 -47.1683 -47.1683 -21.5217 -21.5217 -21.3829 -21.3829 -13.9257 -13.9257 -13.7293 -13.7293 -13.5537 -13.5537 -13.5150 -13.5150 5.9626 5.9626 5.9986 5.9986 6.2905 6.2905 7.7310 7.7310 7.7888 7.7888 8.1795 8.1795 11.2897 11.2897 12.7460 12.7460 13.4093 13.4093 15.5519 15.5519 16.1617 16.1617 16.3323 16.3323 16.7733 16.7733 17.3486 17.3486 k = 0.0000 0.0000 0.2353 ( 2410 PWs) bands (ev): -47.2098 -47.2098 -47.1683 -47.1683 -21.5218 -21.5218 -21.3848 -21.3848 -13.9250 -13.9250 -13.7331 -13.7331 -13.5555 -13.5555 -13.5185 -13.5185 5.9807 5.9807 6.0110 6.0110 6.3114 6.3114 7.7292 7.7292 7.7912 7.7912 8.1685 8.1685 11.3394 11.3394 12.7361 12.7361 13.4357 13.4357 15.5285 15.5285 16.1154 16.1154 16.2854 16.2854 16.7488 16.7488 17.3598 17.3598 k = 0.0000 0.0000 0.2549 ( 2408 PWs) bands (ev): -47.2093 -47.2093 -47.1683 -47.1683 -21.5218 -21.5218 -21.3867 -21.3867 -13.9243 -13.9243 -13.7371 -13.7371 -13.5577 -13.5577 -13.5221 -13.5221 5.9929 5.9929 6.0281 6.0281 6.3373 6.3373 7.7276 7.7276 7.7938 7.7938 8.1568 8.1568 11.3929 11.3929 12.7260 12.7260 13.4638 13.4638 15.5033 15.5033 16.0707 16.0707 16.2389 16.2389 16.7251 16.7251 17.3675 17.3675 k = 0.0000 0.0000 0.2746 ( 2408 PWs) bands (ev): -47.2087 -47.2087 -47.1684 -47.1684 -21.5219 -21.5219 -21.3888 -21.3888 -13.9236 -13.9236 -13.7413 -13.7413 -13.5603 -13.5603 -13.5256 -13.5256 6.0017 6.0017 6.0467 6.0467 6.3689 6.3689 7.7262 7.7262 7.7967 7.7967 8.1445 8.1445 11.4499 11.4499 12.7159 12.7159 13.4934 13.4934 15.4761 15.4761 16.0276 16.0276 16.1934 16.1934 16.7024 16.7024 17.3671 17.3671 k = 0.0000 0.0000 0.2942 ( 2408 PWs) bands (ev): -47.2081 -47.2081 -47.1684 -47.1684 -21.5220 -21.5220 -21.3910 -21.3910 -13.9228 -13.9228 -13.7456 -13.7456 -13.5635 -13.5635 -13.5290 -13.5290 6.0091 6.0091 6.0640 6.0640 6.4065 6.4065 7.7251 7.7251 7.7999 7.7999 8.1315 8.1315 11.5104 11.5104 12.7059 12.7059 13.5246 13.5246 15.4471 15.4471 15.9862 15.9862 16.1493 16.1493 16.6807 16.6807 17.3534 17.3534 k = 0.0000 0.0000 0.3138 ( 2408 PWs) bands (ev): -47.2075 -47.2075 -47.1684 -47.1684 -21.5221 -21.5221 -21.3934 -21.3934 -13.9221 -13.9221 -13.7501 -13.7501 -13.5674 -13.5674 -13.5322 -13.5322 6.0161 6.0161 6.0791 6.0791 6.4503 6.4503 7.7245 7.7245 7.8034 7.8034 8.1180 8.1180 11.5740 11.5740 12.6962 12.6962 13.5569 13.5569 15.4162 15.4162 15.9463 15.9463 16.1067 16.1067 16.6600 16.6600 17.3235 17.3235 k = 0.0000 0.0000 0.3334 ( 2410 PWs) bands (ev): -47.2068 -47.2068 -47.1685 -47.1685 -21.5222 -21.5222 -21.3959 -21.3959 -13.9213 -13.9213 -13.7546 -13.7546 -13.5719 -13.5719 -13.5353 -13.5353 6.0229 6.0229 6.0917 6.0917 6.4998 6.4998 7.7242 7.7242 7.8070 7.8070 8.1041 8.1041 11.6406 11.6406 12.6871 12.6871 13.5904 13.5904 15.3835 15.3835 15.9080 15.9080 16.0658 16.0658 16.6406 16.6406 17.2805 17.2805 k = 0.0000 0.0000 0.3530 ( 2410 PWs) bands (ev): -47.2061 -47.2061 -47.1685 -47.1685 -21.5223 -21.5223 -21.3985 -21.3985 -13.9206 -13.9206 -13.7591 -13.7591 -13.5769 -13.5769 -13.5382 -13.5382 6.0295 6.0295 6.1021 6.1021 6.5546 6.5546 7.7245 7.7245 7.8109 7.8109 8.0898 8.0898 11.7100 11.7100 12.6787 12.6787 13.6248 13.6248 15.3491 15.3491 15.8712 15.8712 16.0267 16.0267 16.6225 16.6225 17.2289 17.2289 k = 0.0000 0.0000 0.3726 ( 2412 PWs) bands (ev): -47.2054 -47.2054 -47.1686 -47.1686 -21.5224 -21.5224 -21.4012 -21.4012 -13.9199 -13.9199 -13.7638 -13.7638 -13.5826 -13.5826 -13.5409 -13.5409 6.0361 6.0361 6.1105 6.1105 6.6143 6.6143 7.7255 7.7255 7.8150 7.8150 8.0753 8.0753 11.7819 11.7819 12.6713 12.6713 13.6598 13.6598 15.3130 15.3130 15.8357 15.8357 15.9891 15.9891 16.6060 16.6060 17.1721 17.1721 k = 0.0000 0.0000 0.3922 ( 2408 PWs) bands (ev): -47.2046 -47.2046 -47.1686 -47.1686 -21.5225 -21.5225 -21.4039 -21.4039 -13.9193 -13.9193 -13.7683 -13.7683 -13.5887 -13.5887 -13.5436 -13.5436 6.0424 6.0424 6.1173 6.1173 6.6782 6.6782 7.7271 7.7271 7.8193 7.8193 8.0607 8.0607 11.8561 11.8561 12.6650 12.6650 13.6953 13.6953 15.2752 15.2752 15.8014 15.8014 15.9529 15.9529 16.5913 16.5913 17.1122 17.1122 k = 0.0000 0.0000 0.4118 ( 2412 PWs) bands (ev): -47.2038 -47.2038 -47.1687 -47.1687 -21.5227 -21.5227 -21.4067 -21.4067 -13.9188 -13.9188 -13.7730 -13.7730 -13.5951 -13.5951 -13.5461 -13.5461 6.0486 6.0486 6.1227 6.1227 6.7459 6.7459 7.7295 7.7295 7.8237 7.8237 8.0462 8.0462 11.9322 11.9322 12.6601 12.6601 13.7311 13.7311 15.2357 15.2357 15.7682 15.7682 15.9179 15.9179 16.5785 16.5785 17.0509 17.0509 k = 0.0000 0.0000 0.4314 ( 2408 PWs) bands (ev): -47.2030 -47.2030 -47.1687 -47.1687 -21.5228 -21.5228 -21.4096 -21.4096 -13.9183 -13.9183 -13.7774 -13.7774 -13.6020 -13.6020 -13.5486 -13.5486 6.0546 6.0546 6.1270 6.1270 6.8169 6.8169 7.7327 7.7327 7.8283 7.8283 8.0320 8.0320 12.0099 12.0099 12.6568 12.6568 13.7669 13.7669 15.1945 15.1945 15.7360 15.7360 15.8837 15.8837 16.5681 16.5681 16.9891 16.9891 k = 0.0000 0.0000 0.4511 ( 2412 PWs) bands (ev): -47.2021 -47.2021 -47.1688 -47.1688 -21.5230 -21.5230 -21.4127 -21.4127 -13.9180 -13.9180 -13.7818 -13.7818 -13.6093 -13.6093 -13.5512 -13.5512 6.0602 6.0602 6.1302 6.1302 6.8906 6.8906 7.7368 7.7368 7.8330 7.8330 8.0184 8.0184 12.0887 12.0887 12.6555 12.6555 13.8025 13.8025 15.1517 15.1517 15.7047 15.7047 15.8498 15.8498 16.5602 16.5602 16.9280 16.9280 k = 0.0000 0.0000 0.4707 ( 2418 PWs) bands (ev): -47.2013 -47.2013 -47.1688 -47.1688 -21.5232 -21.5232 -21.4159 -21.4159 -13.9178 -13.9178 -13.7860 -13.7860 -13.6169 -13.6169 -13.5539 -13.5539 6.0655 6.0655 6.1327 6.1327 6.9666 6.9666 7.7417 7.7417 7.8378 7.8378 8.0058 8.0058 12.1682 12.1682 12.6564 12.6564 13.8375 13.8375 15.1072 15.1072 15.6743 15.6743 15.8159 15.8159 16.5549 16.5549 16.8685 16.8685 k = 0.0000 0.0000 0.4903 ( 2430 PWs) bands (ev): -47.2004 -47.2004 -47.1689 -47.1689 -21.5234 -21.5234 -21.4192 -21.4192 -13.9178 -13.9178 -13.7901 -13.7901 -13.6248 -13.6248 -13.5566 -13.5566 6.0704 6.0704 6.1345 6.1345 7.0442 7.0442 7.7473 7.7473 7.8428 7.8428 7.9946 7.9946 12.2476 12.2476 12.6598 12.6598 13.8719 13.8719 15.0612 15.0612 15.6445 15.6445 15.7813 15.7813 16.5525 16.5525 16.8116 16.8116 k = 0.0000 0.0000 0.5099 ( 2422 PWs) bands (ev): -47.1995 -47.1995 -47.1689 -47.1689 -21.5234 -21.5234 -21.4224 -21.4224 -13.9179 -13.9179 -13.7937 -13.7937 -13.6328 -13.6328 -13.5594 -13.5594 6.0748 6.0748 6.1357 6.1357 7.1226 7.1226 7.7534 7.7534 7.8482 7.8482 7.9857 7.9857 12.3262 12.3262 12.6663 12.6663 13.9052 13.9052 15.0135 15.0135 15.6155 15.6155 15.7457 15.7457 16.5528 16.5528 16.7583 16.7583 k = 0.0000 0.0000 0.5295 ( 2426 PWs) bands (ev): -47.1986 -47.1986 -47.1690 -47.1690 -21.5236 -21.5236 -21.4258 -21.4258 -13.9182 -13.9182 -13.7973 -13.7973 -13.6410 -13.6410 -13.5622 -13.5622 6.0787 6.0787 6.1364 6.1364 7.2009 7.2009 7.7597 7.7597 7.8540 7.8540 7.9800 7.9800 12.4027 12.4027 12.6767 12.6767 13.9373 13.9373 14.9644 14.9644 15.5870 15.5870 15.7088 15.7088 16.5555 16.5555 16.7103 16.7103 k = 0.0000 0.0000 0.5491 ( 2426 PWs) bands (ev): -47.1977 -47.1977 -47.1691 -47.1691 -21.5237 -21.5237 -21.4292 -21.4292 -13.9187 -13.9187 -13.8005 -13.8005 -13.6493 -13.6493 -13.5652 -13.5652 6.0820 6.0820 6.1366 6.1366 7.2778 7.2778 7.7656 7.7656 7.8606 7.8606 7.9789 7.9789 12.4754 12.4754 12.6921 12.6921 13.9679 13.9679 14.9138 14.9138 15.5586 15.5586 15.6707 15.6707 16.5587 16.5587 16.6702 16.6702 k = 0.0000 0.0000 0.5687 ( 2426 PWs) bands (ev): -47.1967 -47.1967 -47.1691 -47.1691 -21.5238 -21.5238 -21.4325 -21.4325 -13.9195 -13.9195 -13.8033 -13.8033 -13.6578 -13.6578 -13.5682 -13.5682 6.0847 6.0847 6.1365 6.1365 7.3516 7.3516 7.7707 7.7707 7.8681 7.8681 7.9845 7.9845 12.5417 12.5417 12.7144 12.7144 13.9969 13.9969 14.8618 14.8618 15.5296 15.5296 15.6322 15.6322 16.5571 16.5571 16.6441 16.6441 k = 0.0000 0.0000 0.5883 ( 2430 PWs) bands (ev): -47.1958 -47.1958 -47.1692 -47.1692 -21.5240 -21.5240 -21.4360 -21.4360 -13.9205 -13.9205 -13.8059 -13.8059 -13.6663 -13.6663 -13.5714 -13.5714 6.0867 6.0867 6.1361 6.1361 7.4198 7.4198 7.7748 7.7748 7.8759 7.8759 7.9995 7.9995 12.5983 12.5983 12.7464 12.7464 14.0240 14.0240 14.8085 14.8085 15.4978 15.4978 15.5956 15.5956 16.5438 16.5438 16.6394 16.6394 k = 0.0000 0.0000 0.6079 ( 2428 PWs) bands (ev): -47.1948 -47.1948 -47.1692 -47.1692 -21.5241 -21.5241 -21.4394 -21.4394 -13.9217 -13.9217 -13.8080 -13.8080 -13.6750 -13.6750 -13.5747 -13.5747 6.0881 6.0881 6.1354 6.1354 7.4799 7.4799 7.7786 7.7786 7.8832 7.8832 8.0270 8.0270 12.6434 12.6434 12.7889 12.7889 14.0490 14.0490 14.7540 14.7540 15.4603 15.4603 15.5646 15.5646 16.5224 16.5224 16.6529 16.6529 k = 0.0000 0.0000 0.6276 ( 2432 PWs) bands (ev): -47.1939 -47.1939 -47.1693 -47.1693 -21.5242 -21.5242 -21.4429 -21.4429 -13.9232 -13.9232 -13.8098 -13.8098 -13.6838 -13.6838 -13.5781 -13.5781 6.0888 6.0888 6.1344 6.1344 7.5289 7.5289 7.7835 7.7835 7.8894 7.8894 8.0686 8.0686 12.6798 12.6798 12.8381 12.8381 14.0719 14.0719 14.6984 14.6984 15.4147 15.4147 15.5425 15.5425 16.5005 16.5005 16.6769 16.6769 k = 0.0000 0.0000 0.6472 ( 2440 PWs) bands (ev): -47.1929 -47.1929 -47.1694 -47.1694 -21.5245 -21.5245 -21.4465 -21.4465 -13.9250 -13.9250 -13.8113 -13.8113 -13.6926 -13.6926 -13.5816 -13.5816 6.0887 6.0887 6.1333 6.1333 7.5647 7.5647 7.7914 7.7914 7.8943 7.8943 8.1245 8.1245 12.7119 12.7119 12.8886 12.8886 14.0924 14.0924 14.6419 14.6419 15.3614 15.3614 15.5302 15.5302 16.4811 16.4811 16.7081 16.7081 k = 0.0000 0.0000 0.6668 ( 2438 PWs) bands (ev): -47.1920 -47.1920 -47.1694 -47.1694 -21.5246 -21.5246 -21.4499 -21.4499 -13.9269 -13.9269 -13.8124 -13.8124 -13.7013 -13.7013 -13.5851 -13.5851 6.0881 6.0881 6.1320 6.1320 7.5871 7.5871 7.8036 7.8036 7.8984 7.8984 8.1933 8.1933 12.7431 12.7431 12.9360 12.9360 14.1106 14.1106 14.5844 14.5844 15.3022 15.3022 15.5273 15.5273 16.4650 16.4650 16.7453 16.7453 k = 0.0000 0.0000 0.6864 ( 2438 PWs) bands (ev): -47.1910 -47.1910 -47.1695 -47.1695 -21.5247 -21.5247 -21.4533 -21.4533 -13.9290 -13.9290 -13.8131 -13.8131 -13.7100 -13.7100 -13.5888 -13.5888 6.0867 6.0867 6.1305 6.1305 7.5978 7.5978 7.8203 7.8203 7.9018 7.9018 8.2728 8.2728 12.7750 12.7750 12.9776 12.9776 14.1264 14.1264 14.5263 14.5263 15.2387 15.2387 15.5338 15.5338 16.4521 16.4522 16.7882 16.7882 k = 0.0000 0.0000 0.7060 ( 2436 PWs) bands (ev): -47.1900 -47.1900 -47.1695 -47.1695 -21.5248 -21.5248 -21.4567 -21.4567 -13.9312 -13.9312 -13.8135 -13.8135 -13.7187 -13.7187 -13.5926 -13.5926 6.0848 6.0848 6.1289 6.1289 7.5997 7.5997 7.8403 7.8403 7.9046 7.9046 8.3607 8.3607 12.8085 12.8085 13.0117 13.0117 14.1398 14.1398 14.4675 14.4675 15.1720 15.1720 15.5503 15.5503 16.4420 16.4420 16.8365 16.8365 k = 0.0000 0.0000 0.7256 ( 2436 PWs) bands (ev): -47.1891 -47.1891 -47.1696 -47.1696 -21.5250 -21.5250 -21.4600 -21.4600 -13.9336 -13.9336 -13.8136 -13.8136 -13.7273 -13.7273 -13.5964 -13.5964 6.0824 6.0824 6.1270 6.1270 7.5958 7.5958 7.8626 7.8626 7.9071 7.9071 8.4549 8.4549 12.8441 12.8441 13.0370 13.0370 14.1507 14.1507 14.4083 14.4083 15.1030 15.1030 15.5771 15.5771 16.4340 16.4340 16.8898 16.8898 k = 0.0000 0.0000 0.7452 ( 2432 PWs) bands (ev): -47.1881 -47.1881 -47.1696 -47.1696 -21.5251 -21.5251 -21.4633 -21.4633 -13.9361 -13.9361 -13.8135 -13.8135 -13.7359 -13.7359 -13.6003 -13.6003 6.0795 6.0795 6.1250 6.1250 7.5880 7.5880 7.8863 7.8863 7.9093 7.9093 8.5539 8.5539 12.8817 12.8817 13.0529 13.0529 14.1593 14.1593 14.3488 14.3488 15.0325 15.0325 15.6146 15.6146 16.4275 16.4275 16.9482 16.9482 k = 0.0000 0.0000 0.7648 ( 2442 PWs) bands (ev): -47.1872 -47.1872 -47.1697 -47.1697 -21.5253 -21.5253 -21.4668 -21.4668 -13.9387 -13.9387 -13.8133 -13.8133 -13.7444 -13.7444 -13.6043 -13.6043 6.0761 6.0761 6.1228 6.1228 7.5780 7.5780 7.9071 7.9071 7.9151 7.9151 8.6565 8.6565 12.9212 12.9212 13.0594 13.0594 14.1655 14.1655 14.2893 14.2893 14.9611 14.9611 15.6629 15.6629 16.4219 16.4219 17.0113 17.0113 k = 0.0000 0.0000 0.7844 ( 2442 PWs) bands (ev): -47.1863 -47.1863 -47.1698 -47.1698 -21.5253 -21.5253 -21.4701 -21.4701 -13.9412 -13.9412 -13.8128 -13.8128 -13.7527 -13.7527 -13.6084 -13.6084 6.0724 6.0724 6.1204 6.1204 7.5665 7.5665 7.9106 7.9106 7.9386 7.9386 8.7618 8.7618 12.9625 12.9625 13.0566 13.0566 14.1688 14.1688 14.2306 14.2306 14.8896 14.8896 15.7219 15.7219 16.4167 16.4167 17.0790 17.0790 k = 0.0000 0.0000 0.8040 ( 2442 PWs) bands (ev): -47.1854 -47.1854 -47.1698 -47.1698 -21.5255 -21.5255 -21.4733 -21.4733 -13.9438 -13.9438 -13.8123 -13.8123 -13.7606 -13.7606 -13.6125 -13.6125 6.0684 6.0684 6.1179 6.1179 7.5542 7.5542 7.9116 7.9116 7.9650 7.9650 8.8691 8.8691 13.0050 13.0050 13.0452 13.0452 14.1584 14.1584 14.1839 14.1839 14.8185 14.8185 15.7909 15.7909 16.4113 16.4113 17.1511 17.1511 k = 0.0000 0.0000 0.8237 ( 2438 PWs) bands (ev): -47.1845 -47.1845 -47.1699 -47.1699 -21.5255 -21.5255 -21.4764 -21.4764 -13.9462 -13.9462 -13.8120 -13.8120 -13.7681 -13.7681 -13.6167 -13.6167 6.0641 6.0641 6.1153 6.1153 7.5414 7.5414 7.9120 7.9120 7.9923 7.9923 8.9779 8.9779 13.0247 13.0247 13.0493 13.0493 14.1064 14.1064 14.1776 14.1776 14.7486 14.7486 15.8689 15.8689 16.4055 16.4055 17.2273 17.2273 k = 0.0000 0.0000 0.8433 ( 2438 PWs) bands (ev): -47.1836 -47.1836 -47.1699 -47.1699 -21.5257 -21.5257 -21.4795 -21.4795 -13.9486 -13.9486 -13.8121 -13.8121 -13.7749 -13.7749 -13.6210 -13.6210 6.0596 6.0596 6.1125 6.1125 7.5285 7.5285 7.9119 7.9119 8.0201 8.0201 9.0878 9.0878 12.9984 12.9984 13.0921 13.0921 14.0487 14.0487 14.1764 14.1764 14.6808 14.6808 15.9548 15.9548 16.3993 16.3993 17.3075 17.3075 k = 0.0000 0.0000 0.8629 ( 2434 PWs) bands (ev): -47.1827 -47.1827 -47.1700 -47.1700 -21.5257 -21.5257 -21.4825 -21.4825 -13.9508 -13.9508 -13.8129 -13.8129 -13.7807 -13.7807 -13.6253 -13.6253 6.0548 6.0548 6.1097 6.1097 7.5156 7.5156 7.9115 7.9115 8.0485 8.0485 9.1984 9.1984 12.9659 12.9659 13.1340 13.1340 13.9915 13.9915 14.1746 14.1746 14.6160 14.6160 16.0461 16.0461 16.3936 16.3936 17.3913 17.3913 k = 0.0000 0.0000 0.8825 ( 2436 PWs) bands (ev): -47.1819 -47.1819 -47.1700 -47.1700 -21.5258 -21.5258 -21.4854 -21.4854 -13.9530 -13.9530 -13.8150 -13.8150 -13.7849 -13.7849 -13.6296 -13.6296 6.0499 6.0499 6.1068 6.1068 7.5029 7.5029 7.9108 7.9108 8.0772 8.0772 9.3093 9.3093 12.9283 12.9283 13.1731 13.1731 13.9357 13.9357 14.1720 14.1720 14.5555 14.5555 16.1383 16.1383 16.3917 16.3917 17.4785 17.4785 k = 0.0000 0.0000 0.9021 ( 2436 PWs) bands (ev): -47.1811 -47.1811 -47.1701 -47.1701 -21.5259 -21.5259 -21.4883 -21.4883 -13.9550 -13.9550 -13.8188 -13.8188 -13.7873 -13.7873 -13.6340 -13.6340 6.0449 6.0449 6.1040 6.1040 7.4905 7.4905 7.9098 7.9098 8.1062 8.1062 9.4203 9.4203 12.8867 12.8867 13.2074 13.2074 13.8819 13.8819 14.1690 14.1690 14.5007 14.5007 16.2188 16.2188 16.4051 16.4051 17.5688 17.5688 k = 0.0000 0.0000 0.9217 ( 2436 PWs) bands (ev): -47.1803 -47.1803 -47.1701 -47.1701 -21.5260 -21.5260 -21.4910 -21.4910 -13.9568 -13.9568 -13.8239 -13.8239 -13.7880 -13.7880 -13.6384 -13.6384 6.0399 6.0399 6.1011 6.1011 7.4785 7.4785 7.9084 7.9084 8.1354 8.1354 9.5312 9.5312 12.8420 12.8420 13.2346 13.2346 13.8307 13.8307 14.1658 14.1658 14.4536 14.4536 16.2619 16.2619 16.4584 16.4584 17.6619 17.6619 k = 0.0000 0.0000 0.9413 ( 2442 PWs) bands (ev): -47.1795 -47.1795 -47.1702 -47.1702 -21.5263 -21.5263 -21.4937 -21.4937 -13.9585 -13.9585 -13.8300 -13.8300 -13.7876 -13.7876 -13.6428 -13.6428 6.0347 6.0347 6.0983 6.0983 7.4669 7.4669 7.9069 7.9069 8.1646 8.1646 9.6417 9.6417 12.7952 12.7952 13.2521 13.2521 13.7823 13.7823 14.1629 14.1629 14.4163 14.4163 16.2662 16.2662 16.5521 16.5521 17.7574 17.7574 k = 0.0000 0.0000 0.9609 ( 2426 PWs) bands (ev): -47.1788 -47.1788 -47.1702 -47.1702 -21.5262 -21.5262 -21.4960 -21.4960 -13.9598 -13.9598 -13.8364 -13.8364 -13.7862 -13.7862 -13.6471 -13.6471 6.0296 6.0296 6.0955 6.0955 7.4558 7.4558 7.9051 7.9051 8.1937 8.1937 9.7516 9.7516 12.7470 12.7470 13.2577 13.2577 13.7364 13.7364 14.1605 14.1605 14.3911 14.3911 16.2529 16.2529 16.6643 16.6643 17.8547 17.8547 k = 0.0000 0.0000 0.9805 ( 2430 PWs) bands (ev): -47.1781 -47.1781 -47.1702 -47.1702 -21.5264 -21.5264 -21.4985 -21.4985 -13.9610 -13.9610 -13.8432 -13.8432 -13.7846 -13.7846 -13.6516 -13.6516 6.0245 6.0245 6.0928 6.0928 7.4453 7.4453 7.9032 7.9032 8.2226 8.2226 9.8606 9.8606 12.6981 12.6981 13.2504 13.2504 13.6922 13.6922 14.1586 14.1586 14.3802 14.3802 16.2319 16.2319 16.7843 16.7843 17.9533 17.9533 k = 0.0000 0.0000 1.0002 ( 2434 PWs) bands (ev): -47.1774 -47.1774 -47.1703 -47.1703 -21.5266 -21.5266 -21.5008 -21.5008 -13.9620 -13.9620 -13.8501 -13.8501 -13.7826 -13.7826 -13.6560 -13.6560 6.0195 6.0195 6.0903 6.0903 7.4353 7.4353 7.9011 7.9011 8.2510 8.2510 9.9686 9.9686 12.6491 12.6491 13.2304 13.2304 13.6486 13.6486 14.1565 14.1565 14.3855 14.3855 16.2066 16.2066 16.9081 16.9081 18.0521 18.0521 k = 0.0000 0.0000 1.0198 ( 2438 PWs) bands (ev): -47.1768 -47.1768 -47.1703 -47.1703 -21.5267 -21.5267 -21.5031 -21.5031 -13.9627 -13.9627 -13.8570 -13.8570 -13.7803 -13.7803 -13.6604 -13.6604 6.0146 6.0146 6.0878 6.0878 7.4259 7.4259 7.8990 7.8990 8.2789 8.2789 10.0753 10.0753 12.6005 12.6005 13.1995 13.1995 13.6043 13.6043 14.1536 14.1536 14.4071 14.4071 16.1784 16.1784 17.0340 17.0340 18.1493 18.1493 k = 0.0000 0.0000 1.0394 ( 2442 PWs) bands (ev): -47.1762 -47.1762 -47.1704 -47.1704 -21.5268 -21.5268 -21.5052 -21.5052 -13.9632 -13.9632 -13.8639 -13.8639 -13.7778 -13.7778 -13.6648 -13.6648 6.0098 6.0098 6.0855 6.0855 7.4171 7.4171 7.8968 7.8968 8.3061 8.3061 10.1805 10.1805 12.5529 12.5529 13.1598 13.1598 13.5590 13.5590 14.1496 14.1496 14.4437 14.4437 16.1481 16.1481 17.1604 17.1604 18.2423 18.2423 k = 0.0000 0.0000 1.0590 ( 2442 PWs) bands (ev): -47.1756 -47.1756 -47.1704 -47.1704 -21.5269 -21.5269 -21.5072 -21.5072 -13.9634 -13.9634 -13.8705 -13.8705 -13.7752 -13.7752 -13.6692 -13.6692 6.0052 6.0052 6.0833 6.0833 7.4089 7.4089 7.8946 7.8946 8.3324 8.3324 10.2839 10.2839 12.5065 12.5065 13.1134 13.1134 13.5130 13.5130 14.1448 14.1448 14.4925 14.4925 16.1162 16.1162 17.2864 17.2864 18.3259 18.3259 k = 0.0000 0.0000 1.0786 ( 2442 PWs) bands (ev): -47.1751 -47.1751 -47.1704 -47.1704 -21.5269 -21.5269 -21.5091 -21.5091 -13.9633 -13.9633 -13.8771 -13.8771 -13.7724 -13.7724 -13.6735 -13.6735 6.0008 6.0008 6.0812 6.0812 7.4013 7.4013 7.8923 7.8923 8.3576 8.3576 10.3853 10.3853 12.4618 12.4618 13.0622 13.0622 13.4670 13.4670 14.1397 14.1397 14.5508 14.5508 16.0832 16.0832 17.4109 17.4109 18.3934 18.3934 k = 0.0000 0.0000 1.0982 ( 2438 PWs) bands (ev): -47.1746 -47.1746 -47.1705 -47.1705 -21.5270 -21.5270 -21.5107 -21.5107 -13.9629 -13.9629 -13.8834 -13.8834 -13.7695 -13.7695 -13.6778 -13.6778 5.9966 5.9966 6.0793 6.0793 7.3944 7.3944 7.8902 7.8902 8.3816 8.3816 10.4842 10.4842 12.4190 12.4190 13.0077 13.0077 13.4218 13.4218 14.1344 14.1344 14.6160 14.6160 16.0494 16.0494 17.5330 17.5330 18.4396 18.4396 k = 0.0000 0.0000 1.1178 ( 2434 PWs) bands (ev): -47.1741 -47.1741 -47.1705 -47.1705 -21.5270 -21.5270 -21.5122 -21.5122 -13.9622 -13.9622 -13.8896 -13.8896 -13.7666 -13.7666 -13.6820 -13.6820 5.9927 5.9927 6.0776 6.0776 7.3881 7.3881 7.8881 7.8881 8.4043 8.4043 10.5804 10.5804 12.3783 12.3783 12.9510 12.9510 13.3784 13.3784 14.1293 14.1293 14.6856 14.6856 16.0150 16.0150 17.6513 17.6513 18.4663 18.4663 k = 0.0000 0.0000 1.1374 ( 2430 PWs) bands (ev): -47.1737 -47.1737 -47.1705 -47.1705 -21.5270 -21.5270 -21.5136 -21.5136 -13.9613 -13.9613 -13.8955 -13.8955 -13.7636 -13.7636 -13.6861 -13.6861 5.9891 5.9891 6.0760 6.0760 7.3824 7.3824 7.8861 7.8861 8.4254 8.4254 10.6732 10.6732 12.3400 12.3400 12.8935 12.8935 13.3375 13.3375 14.1245 14.1245 14.7579 14.7579 15.9803 15.9803 17.7649 17.7649 18.4796 18.4796 k = 0.0000 0.0000 1.1570 ( 2430 PWs) bands (ev): -47.1733 -47.1733 -47.1705 -47.1705 -21.5271 -21.5271 -21.5148 -21.5148 -13.9600 -13.9600 -13.9013 -13.9013 -13.7606 -13.7606 -13.6901 -13.6901 5.9857 5.9857 6.0746 6.0746 7.3774 7.3774 7.8843 7.8843 8.4447 8.4447 10.7621 10.7621 12.3041 12.3041 12.8361 12.8361 13.2997 13.2997 14.1200 14.1200 14.8311 14.8311 15.9454 15.9454 17.8720 17.8720 18.4854 18.4854 k = 0.0000 0.0000 1.1767 ( 2430 PWs) bands (ev): -47.1730 -47.1730 -47.1706 -47.1706 -21.5272 -21.5272 -21.5160 -21.5160 -13.9585 -13.9585 -13.9068 -13.9068 -13.7575 -13.7575 -13.6941 -13.6941 5.9828 5.9828 6.0734 6.0734 7.3729 7.3729 7.8826 7.8826 8.4622 8.4622 10.8462 10.8462 12.2708 12.2708 12.7802 12.7802 13.2656 13.2656 14.1160 14.1160 14.9036 14.9036 15.9107 15.9107 17.9711 17.9711 18.4877 18.4877 k = 0.0000 0.0000 1.1963 ( 2434 PWs) bands (ev): -47.1727 -47.1727 -47.1706 -47.1706 -21.5273 -21.5273 -21.5170 -21.5170 -13.9568 -13.9568 -13.9121 -13.9121 -13.7546 -13.7546 -13.6978 -13.6978 5.9802 5.9802 6.0723 6.0723 7.3691 7.3691 7.8811 7.8811 8.4777 8.4777 10.9247 10.9247 12.2402 12.2402 12.7270 12.7270 13.2355 13.2355 14.1124 14.1124 14.9737 14.9737 15.8763 15.8763 18.0599 18.0599 18.4894 18.4894 k = 0.0000 0.0000 1.2159 ( 2430 PWs) bands (ev): -47.1725 -47.1725 -47.1706 -47.1706 -21.5273 -21.5273 -21.5177 -21.5177 -13.9547 -13.9547 -13.9171 -13.9171 -13.7517 -13.7517 -13.7013 -13.7013 5.9779 5.9779 6.0714 6.0714 7.3658 7.3658 7.8798 7.8798 8.4910 8.4910 10.9961 10.9961 12.2126 12.2126 12.6782 12.6782 13.2096 13.2096 14.1093 14.1093 15.0398 15.0398 15.8429 15.8429 18.1358 18.1358 18.4930 18.4930 k = 0.0000 0.0000 1.2355 ( 2430 PWs) bands (ev): -47.1723 -47.1723 -47.1706 -47.1706 -21.5273 -21.5273 -21.5184 -21.5184 -13.9525 -13.9525 -13.9218 -13.9218 -13.7490 -13.7490 -13.7046 -13.7046 5.9760 5.9760 6.0706 6.0706 7.3632 7.3632 7.8787 7.8787 8.5021 8.5021 11.0589 11.0589 12.1881 12.1881 12.6351 12.6351 13.1882 13.1882 14.1068 14.1068 15.1000 15.1000 15.8111 15.8111 18.1960 18.1960 18.5007 18.5007 k = 0.0000 0.0000 1.2551 ( 2434 PWs) bands (ev): -47.1721 -47.1721 -47.1706 -47.1706 -21.5273 -21.5273 -21.5190 -21.5190 -13.9500 -13.9500 -13.9262 -13.9262 -13.7466 -13.7466 -13.7075 -13.7075 5.9746 5.9746 6.0700 6.0700 7.3611 7.3611 7.8778 7.8778 8.5108 8.5108 11.1111 11.1111 12.1676 12.1676 12.5996 12.5996 13.1715 13.1715 14.1048 14.1048 15.1519 15.1519 15.7825 15.7825 18.2390 18.2390 18.5130 18.5130 k = 0.0000 0.0000 1.2747 ( 2432 PWs) bands (ev): -47.1720 -47.1720 -47.1706 -47.1706 -21.5274 -21.5274 -21.5193 -21.5193 -13.9474 -13.9474 -13.9302 -13.9302 -13.7447 -13.7447 -13.7097 -13.7097 5.9735 5.9735 6.0696 6.0696 7.3597 7.3597 7.8772 7.8772 8.5171 8.5171 11.1506 11.1506 12.1517 12.1517 12.5730 12.5730 13.1594 13.1594 14.1033 14.1033 15.1928 15.1928 15.7589 15.7589 18.2658 18.2658 18.5274 18.5274 k = 0.0000 0.0000 1.2943 ( 2428 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5196 -21.5196 -13.9450 -13.9450 -13.9334 -13.9334 -13.7432 -13.7432 -13.7113 -13.7113 5.9729 5.9729 6.0694 6.0694 7.3588 7.3588 7.8768 7.8768 8.5209 8.5209 11.1754 11.1754 12.1416 12.1416 12.5565 12.5565 13.1522 13.1522 14.1025 14.1025 15.2193 15.2193 15.7430 15.7430 18.2798 18.2798 18.5392 18.5392 k = 0.0000 0.0000 1.3139 ( 2422 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5272 -21.5272 -21.5196 -21.5196 -13.9437 -13.9437 -13.9348 -13.9348 -13.7427 -13.7427 -13.7118 -13.7118 5.9727 5.9727 6.0693 6.0693 7.3585 7.3585 7.8767 7.8767 8.5222 8.5222 11.1838 11.1838 12.1381 12.1381 12.5509 12.5509 13.1497 13.1497 14.1022 14.1022 15.2285 15.2285 15.7374 15.7374 18.2840 18.2840 18.5437 18.5437 k = 0.0000 0.0000 1.3139 ( 2422 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5272 -21.5272 -21.5196 -21.5196 -13.9437 -13.9437 -13.9348 -13.9348 -13.7427 -13.7427 -13.7118 -13.7118 5.9727 5.9727 6.0693 6.0693 7.3585 7.3585 7.8767 7.8767 8.5222 8.5222 11.1838 11.1838 12.1381 12.1381 12.5509 12.5509 13.1497 13.1497 14.1022 14.1022 15.2285 15.2285 15.7374 15.7374 18.2840 18.2840 18.5437 18.5437 k =-0.0071 0.0171 1.3139 ( 2434 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5197 -21.5197 -13.9448 -13.9448 -13.9337 -13.9337 -13.7430 -13.7430 -13.7116 -13.7116 5.9730 5.9730 6.0694 6.0694 7.3588 7.3588 7.8769 7.8769 8.5211 8.5211 11.1809 11.1809 12.1390 12.1390 12.5524 12.5524 13.1450 13.1450 14.1007 14.1007 15.2275 15.2275 15.7461 15.7461 18.2830 18.2830 18.5426 18.5426 k =-0.0141 0.0343 1.3139 ( 2432 PWs) bands (ev): -47.1719 -47.1719 -47.1707 -47.1707 -21.5271 -21.5271 -21.5197 -21.5197 -13.9468 -13.9468 -13.9308 -13.9308 -13.7438 -13.7438 -13.7107 -13.7107 5.9738 5.9738 6.0697 6.0697 7.3599 7.3599 7.8774 7.8774 8.5177 8.5177 11.1720 11.1720 12.1416 12.1416 12.5570 12.5570 13.1311 13.1311 14.0963 14.0963 15.2244 15.2244 15.7718 15.7718 18.2802 18.2802 18.5394 18.5394 k =-0.0212 0.0514 1.3139 ( 2432 PWs) bands (ev): -47.1719 -47.1719 -47.1708 -47.1708 -21.5267 -21.5267 -21.5197 -21.5197 -13.9491 -13.9491 -13.9273 -13.9273 -13.7450 -13.7450 -13.7093 -13.7093 5.9752 5.9752 6.0702 6.0702 7.3617 7.3617 7.8781 7.8781 8.5122 8.5122 11.1570 11.1570 12.1459 12.1459 12.5645 12.5645 13.1093 13.1093 14.0891 14.0891 15.2194 15.2194 15.8133 15.8133 18.2756 18.2756 18.5344 18.5344 k =-0.0282 0.0686 1.3139 ( 2434 PWs) bands (ev): -47.1719 -47.1719 -47.1710 -47.1710 -21.5263 -21.5263 -21.5197 -21.5197 -13.9513 -13.9513 -13.9233 -13.9233 -13.7466 -13.7466 -13.7074 -13.7074 5.9771 5.9771 6.0709 6.0709 7.3642 7.3642 7.8792 7.8792 8.5045 8.5045 11.1357 11.1357 12.1517 12.1517 12.5749 12.5749 13.0814 13.0814 14.0792 14.0792 15.2123 15.2123 15.8685 15.8685 18.2690 18.2690 18.5276 18.5276 k =-0.0353 0.0857 1.3139 ( 2442 PWs) bands (ev): -47.1719 -47.1719 -47.1712 -47.1712 -21.5258 -21.5258 -21.5197 -21.5197 -13.9534 -13.9534 -13.9191 -13.9191 -13.7484 -13.7484 -13.7053 -13.7053 5.9795 5.9795 6.0718 6.0718 7.3673 7.3673 7.8806 7.8806 8.4948 8.4948 11.1078 11.1078 12.1589 12.1589 12.5881 12.5881 13.0497 13.0497 14.0668 14.0668 15.2032 15.2032 15.9352 15.9352 18.2605 18.2605 18.5194 18.5194 k =-0.0423 0.1029 1.3139 ( 2446 PWs) bands (ev): -47.1719 -47.1719 -47.1714 -47.1714 -21.5250 -21.5250 -21.5198 -21.5198 -13.9552 -13.9552 -13.9145 -13.9145 -13.7504 -13.7504 -13.7029 -13.7029 5.9824 5.9824 6.0729 6.0729 7.3712 7.3712 7.8822 7.8822 8.4830 8.4830 11.0729 11.0729 12.1674 12.1674 12.6038 12.6038 13.0165 13.0165 14.0523 14.0523 15.1923 15.1923 16.0107 16.0107 18.2500 18.2500 18.5106 18.5106 k =-0.0423 0.1029 1.3139 ( 2446 PWs) bands (ev): -47.1719 -47.1719 -47.1714 -47.1714 -21.5250 -21.5250 -21.5198 -21.5198 -13.9552 -13.9552 -13.9145 -13.9145 -13.7504 -13.7504 -13.7029 -13.7029 5.9824 5.9824 6.0729 6.0729 7.3712 7.3712 7.8822 7.8822 8.4830 8.4830 11.0729 11.0729 12.1674 12.1674 12.6038 12.6038 13.0165 13.0165 14.0523 14.0523 15.1923 15.1923 16.0107 16.0107 18.2500 18.2500 18.5106 18.5106 k =-0.0477 0.1158 1.2999 ( 2448 PWs) bands (ev): -47.1719 -47.1719 -47.1716 -47.1716 -21.5243 -21.5243 -21.5198 -21.5198 -13.9565 -13.9565 -13.9107 -13.9107 -13.7521 -13.7521 -13.7009 -13.7009 5.9850 5.9850 6.0739 6.0739 7.3747 7.3747 7.8837 7.8837 8.4722 8.4722 11.0392 11.0392 12.1755 12.1755 12.6187 12.6187 12.9930 12.9930 14.0401 14.0401 15.1804 15.1804 16.0726 16.0726 18.2379 18.2379 18.5027 18.5027 k =-0.0530 0.1287 1.2860 ( 2448 PWs) bands (ev): -47.1719 -47.1719 -47.1718 -47.1718 -21.5236 -21.5236 -21.5197 -21.5197 -13.9577 -13.9577 -13.9064 -13.9064 -13.7540 -13.7540 -13.6983 -13.6983 5.9880 5.9880 6.0751 6.0751 7.3789 7.3789 7.8854 7.8854 8.4590 8.4590 10.9971 10.9971 12.1860 12.1860 12.6360 12.6360 12.9738 12.9738 14.0270 14.0270 15.1639 15.1639 16.1375 16.1375 18.2183 18.2183 18.4942 18.4942 k =-0.0583 0.1417 1.2720 ( 2444 PWs) bands (ev): -47.1720 -47.1720 -47.1719 -47.1719 -21.5227 -21.5227 -21.5194 -21.5194 -13.9588 -13.9588 -13.9017 -13.9017 -13.7562 -13.7562 -13.6955 -13.6955 5.9914 5.9914 6.0764 6.0764 7.3837 7.3837 7.8874 7.8874 8.4433 8.4433 10.9487 10.9487 12.1980 12.1980 12.6522 12.6522 12.9615 12.9615 14.0132 14.0132 15.1442 15.1442 16.2033 16.2033 18.1900 18.1900 18.4875 18.4875 k =-0.0636 0.1546 1.2580 ( 2442 PWs) bands (ev): -47.1722 -47.1722 -47.1720 -47.1720 -21.5218 -21.5218 -21.5191 -21.5191 -13.9598 -13.9598 -13.8966 -13.8966 -13.7584 -13.7584 -13.6924 -13.6924 5.9952 5.9952 6.0778 6.0778 7.3892 7.3892 7.8896 7.8896 8.4251 8.4251 10.8955 10.8955 12.2112 12.2112 12.6629 12.6629 12.9591 12.9591 13.9987 13.9987 15.1223 15.1223 16.2678 16.2678 18.1521 18.1521 18.4843 18.4843 k =-0.0689 0.1675 1.2440 ( 2444 PWs) bands (ev): -47.1725 -47.1725 -47.1721 -47.1721 -21.5209 -21.5209 -21.5188 -21.5188 -13.9607 -13.9607 -13.8914 -13.8914 -13.7606 -13.7606 -13.6891 -13.6891 5.9994 5.9994 6.0794 6.0794 7.3952 7.3952 7.8921 7.8921 8.4046 8.4046 10.8393 10.8393 12.2249 12.2249 12.6644 12.6644 12.9694 12.9694 13.9834 13.9834 15.0991 15.0991 16.3292 16.3292 18.1044 18.1044 18.4853 18.4853 k =-0.0743 0.1805 1.2300 ( 2447 PWs) bands (ev): -47.1728 -47.1728 -47.1722 -47.1722 -21.5199 -21.5199 -21.5184 -21.5184 -13.9614 -13.9614 -13.8860 -13.8860 -13.7628 -13.7628 -13.6856 -13.6856 6.0037 6.0037 6.0810 6.0810 7.4018 7.4018 7.8947 7.8947 8.3817 8.3817 10.7813 10.7813 12.2387 12.2387 12.6556 12.6556 12.9925 12.9925 13.9676 13.9676 15.0752 15.0752 16.3856 16.3856 18.0474 18.0474 18.4888 18.4888 k =-0.0796 0.1934 1.2160 ( 2449 PWs) bands (ev): -47.1731 -47.1731 -47.1723 -47.1723 -21.5188 -21.5188 -21.5179 -21.5179 -13.9619 -13.9619 -13.8804 -13.8804 -13.7649 -13.7649 -13.6820 -13.6820 6.0083 6.0083 6.0827 6.0827 7.4090 7.4090 7.8976 7.8976 8.3565 8.3565 10.7226 10.7226 12.2520 12.2520 12.6383 12.6383 13.0263 13.0263 13.9513 13.9513 15.0513 15.0513 16.4355 16.4355 17.9821 17.9821 18.4860 18.4860 k =-0.0849 0.2063 1.2021 ( 2448 PWs) bands (ev): -47.1734 -47.1734 -47.1724 -47.1724 -21.5178 -21.5178 -21.5172 -21.5172 -13.9621 -13.9621 -13.8749 -13.8749 -13.7667 -13.7667 -13.6783 -13.6783 6.0131 6.0131 6.0845 6.0845 7.4167 7.4167 7.9007 7.9007 8.3291 8.3291 10.6643 10.6643 12.2639 12.2639 12.6154 12.6154 13.0676 13.0676 13.9346 13.9346 15.0277 15.0277 16.4774 16.4774 17.9099 17.9099 18.4518 18.4518 k =-0.0902 0.2193 1.1881 ( 2446 PWs) bands (ev): -47.1737 -47.1737 -47.1726 -47.1726 -21.5169 -21.5169 -21.5162 -21.5162 -13.9622 -13.9622 -13.8693 -13.8693 -13.7683 -13.7683 -13.6745 -13.6745 6.0179 6.0179 6.0863 6.0863 7.4249 7.4249 7.9040 7.9040 8.2997 8.2997 10.6069 10.6069 12.2731 12.2731 12.5900 12.5900 13.1140 13.1140 13.9177 13.9177 15.0049 15.0049 16.5101 16.5101 17.8320 17.8320 18.3820 18.3820 k =-0.0955 0.2322 1.1741 ( 2445 PWs) bands (ev): -47.1741 -47.1741 -47.1727 -47.1727 -21.5162 -21.5162 -21.5150 -21.5150 -13.9622 -13.9622 -13.8640 -13.8640 -13.7694 -13.7694 -13.6706 -13.6706 6.0228 6.0228 6.0882 6.0882 7.4336 7.4336 7.9074 7.9074 8.2684 8.2684 10.5510 10.5510 12.2775 12.2775 12.5654 12.5654 13.1636 13.1636 13.9006 13.9006 14.9831 14.9831 16.5328 16.5328 17.7498 17.7498 18.3000 18.3000 k =-0.1009 0.2451 1.1601 ( 2437 PWs) bands (ev): -47.1744 -47.1744 -47.1729 -47.1729 -21.5154 -21.5154 -21.5137 -21.5137 -13.9619 -13.9619 -13.8589 -13.8589 -13.7701 -13.7701 -13.6666 -13.6666 6.0276 6.0276 6.0900 6.0900 7.4427 7.4427 7.9109 7.9109 8.2354 8.2354 10.4972 10.4972 12.2744 12.2744 12.5449 12.5449 13.2152 13.2152 13.8837 13.8837 14.9626 14.9626 16.5452 16.5452 17.6649 17.6649 18.2159 18.2159 k =-0.1062 0.2581 1.1461 ( 2440 PWs) bands (ev): -47.1748 -47.1748 -47.1731 -47.1731 -21.5147 -21.5147 -21.5123 -21.5123 -13.9615 -13.9615 -13.8544 -13.8544 -13.7701 -13.7701 -13.6626 -13.6626 6.0323 6.0323 6.0917 6.0917 7.4521 7.4521 7.9145 7.9145 8.2011 8.2011 10.4455 10.4455 12.2613 12.2613 12.5316 12.5316 13.2679 13.2679 13.8671 13.8671 14.9436 14.9436 16.5475 16.5475 17.5785 17.5785 18.1324 18.1324 k =-0.1115 0.2710 1.1321 ( 2442 PWs) bands (ev): -47.1751 -47.1751 -47.1733 -47.1733 -21.5139 -21.5139 -21.5110 -21.5110 -13.9610 -13.9610 -13.8505 -13.8505 -13.7693 -13.7693 -13.6585 -13.6585 6.0368 6.0368 6.0934 6.0934 7.4619 7.4619 7.9182 7.9182 8.1657 8.1657 10.3964 10.3964 12.2369 12.2369 12.5268 12.5268 13.3212 13.3212 13.8510 13.8510 14.9262 14.9262 16.5403 16.5403 17.4919 17.4919 18.0503 18.0503 k =-0.1168 0.2839 1.1181 ( 2442 PWs) bands (ev): -47.1755 -47.1755 -47.1735 -47.1735 -21.5131 -21.5131 -21.5096 -21.5096 -13.9603 -13.9603 -13.8474 -13.8474 -13.7676 -13.7676 -13.6544 -13.6544 6.0411 6.0411 6.0949 6.0949 7.4720 7.4720 7.9216 7.9216 8.1296 8.1296 10.3497 10.3497 12.2023 12.2023 12.5296 12.5296 13.3747 13.3747 13.8360 13.8360 14.9106 14.9106 16.5245 16.5245 17.4061 17.4061 17.9698 17.9698 k =-0.1222 0.2969 1.1042 ( 2440 PWs) bands (ev): -47.1759 -47.1759 -47.1738 -47.1738 -21.5122 -21.5122 -21.5081 -21.5081 -13.9595 -13.9595 -13.8451 -13.8451 -13.7650 -13.7650 -13.6503 -13.6503 6.0450 6.0450 6.0963 6.0963 7.4822 7.4822 7.9248 7.9248 8.0935 8.0935 10.3057 10.3057 12.1598 12.1598 12.5378 12.5378 13.4278 13.4278 13.8222 13.8222 14.8967 14.8967 16.5014 16.5014 17.3220 17.3220 17.8908 17.8908 k =-0.1275 0.3098 1.0902 ( 2444 PWs) bands (ev): -47.1763 -47.1763 -47.1740 -47.1740 -21.5113 -21.5113 -21.5068 -21.5068 -13.9586 -13.9586 -13.8437 -13.8437 -13.7613 -13.7613 -13.6462 -13.6462 6.0486 6.0486 6.0974 6.0974 7.4927 7.4927 7.9269 7.9269 8.0582 8.0582 10.2642 10.2642 12.1114 12.1114 12.5491 12.5491 13.4803 13.4803 13.8103 13.8103 14.8846 14.8846 16.4723 16.4723 17.2403 17.2403 17.8133 17.8133 k =-0.1328 0.3227 1.0762 ( 2448 PWs) bands (ev): -47.1767 -47.1767 -47.1742 -47.1742 -21.5104 -21.5104 -21.5054 -21.5054 -13.9575 -13.9575 -13.8431 -13.8431 -13.7568 -13.7568 -13.6422 -13.6422 6.0518 6.0518 6.0983 6.0983 7.5032 7.5032 7.9268 7.9268 8.0253 8.0253 10.2252 10.2252 12.0591 12.0591 12.5618 12.5618 13.5317 13.5317 13.8009 13.8009 14.8744 14.8744 16.4385 16.4385 17.1615 17.1615 17.7373 17.7373 k =-0.1381 0.3357 1.0622 ( 2448 PWs) bands (ev): -47.1771 -47.1771 -47.1745 -47.1745 -21.5095 -21.5095 -21.5040 -21.5040 -13.9564 -13.9564 -13.8433 -13.8433 -13.7514 -13.7514 -13.6381 -13.6381 6.0546 6.0546 6.0989 6.0989 7.5138 7.5138 7.9211 7.9211 7.9985 7.9985 10.1885 10.1885 12.0040 12.0040 12.5746 12.5746 13.5814 13.5814 13.7946 13.7946 14.8660 14.8660 16.4014 16.4014 17.0861 17.0861 17.6627 17.6627 k =-0.1434 0.3486 1.0482 ( 2448 PWs) bands (ev): -47.1775 -47.1775 -47.1747 -47.1747 -21.5086 -21.5086 -21.5025 -21.5025 -13.9551 -13.9551 -13.8441 -13.8441 -13.7453 -13.7453 -13.6341 -13.6341 6.0568 6.0568 6.0991 6.0991 7.5243 7.5243 7.9050 7.9050 7.9830 7.9830 10.1541 10.1541 11.9471 11.9471 12.5864 12.5864 13.6284 13.6284 13.7928 13.7928 14.8596 14.8596 16.3620 16.3620 17.0142 17.0142 17.5895 17.5895 k =-0.1488 0.3615 1.0342 ( 2456 PWs) bands (ev): -47.1779 -47.1779 -47.1750 -47.1750 -21.5077 -21.5077 -21.5011 -21.5011 -13.9538 -13.9538 -13.8454 -13.8454 -13.7388 -13.7388 -13.6302 -13.6302 6.0586 6.0586 6.0989 6.0989 7.5346 7.5346 7.8792 7.8792 7.9783 7.9783 10.1217 10.1217 11.8891 11.8891 12.5966 12.5966 13.6712 13.6712 13.7970 13.7970 14.8552 14.8552 16.3214 16.3214 16.9460 16.9460 17.5178 17.5178 k =-0.1541 0.3745 1.0203 ( 2456 PWs) bands (ev): -47.1783 -47.1783 -47.1752 -47.1752 -21.5067 -21.5067 -21.4997 -21.4997 -13.9524 -13.9524 -13.8471 -13.8471 -13.7318 -13.7318 -13.6263 -13.6263 6.0598 6.0598 6.0983 6.0983 7.5448 7.5448 7.8492 7.8492 7.9793 7.9793 10.0913 10.0913 11.8307 11.8307 12.6046 12.6046 13.7071 13.7071 13.8098 13.8098 14.8528 14.8528 16.2806 16.2806 16.8816 16.8816 17.4475 17.4475 k =-0.1594 0.3874 1.0063 ( 2456 PWs) bands (ev): -47.1786 -47.1786 -47.1755 -47.1755 -21.5058 -21.5058 -21.4983 -21.4983 -13.9509 -13.9509 -13.8491 -13.8491 -13.7246 -13.7246 -13.6225 -13.6225 6.0605 6.0605 6.0972 6.0972 7.5545 7.5545 7.8183 7.8183 7.9830 7.9830 10.0626 10.0626 11.7724 11.7724 12.6099 12.6099 13.7347 13.7347 13.8328 13.8328 14.8526 14.8526 16.2403 16.2403 16.8211 16.8211 17.3788 17.3788 k =-0.1647 0.4003 0.9923 ( 2462 PWs) bands (ev): -47.1790 -47.1790 -47.1757 -47.1757 -21.5049 -21.5049 -21.4969 -21.4969 -13.9494 -13.9494 -13.8513 -13.8513 -13.7171 -13.7171 -13.6189 -13.6189 6.0605 6.0605 6.0958 6.0958 7.5637 7.5637 7.7882 7.7882 7.9879 7.9879 10.0355 10.0355 11.7147 11.7147 12.6123 12.6123 13.7561 13.7561 13.8635 13.8635 14.8548 14.8548 16.2012 16.2012 16.7643 16.7643 17.3118 17.3118 k =-0.1701 0.4133 0.9783 ( 2455 PWs) bands (ev): -47.1794 -47.1794 -47.1760 -47.1760 -21.5039 -21.5039 -21.4955 -21.4955 -13.9477 -13.9477 -13.8537 -13.8537 -13.7095 -13.7095 -13.6152 -13.6152 6.0599 6.0599 6.0939 6.0939 7.5722 7.5722 7.7599 7.7599 7.9937 7.9937 10.0099 10.0099 11.6579 11.6579 12.6117 12.6117 13.7754 13.7754 13.8974 13.8974 14.8594 14.8594 16.1637 16.1637 16.7113 16.7113 17.2465 17.2465 k =-0.1754 0.4262 0.9643 ( 2453 PWs) bands (ev): -47.1797 -47.1797 -47.1762 -47.1762 -21.5029 -21.5029 -21.4942 -21.4942 -13.9460 -13.9460 -13.8562 -13.8562 -13.7019 -13.7019 -13.6118 -13.6118 6.0587 6.0587 6.0918 6.0918 7.5795 7.5795 7.7338 7.7338 7.9999 7.9999 9.9856 9.9856 11.6024 11.6024 12.6082 12.6082 13.7956 13.7956 13.9311 13.9311 14.8668 14.8668 16.1283 16.1283 16.6619 16.6619 17.1830 17.1830 k =-0.1807 0.4391 0.9503 ( 2453 PWs) bands (ev): -47.1801 -47.1801 -47.1765 -47.1765 -21.5020 -21.5020 -21.4929 -21.4929 -13.9443 -13.9443 -13.8588 -13.8588 -13.6943 -13.6943 -13.6085 -13.6085 6.0566 6.0566 6.0895 6.0895 7.5852 7.5852 7.7109 7.7109 8.0065 8.0065 9.9625 9.9625 11.5486 11.5486 12.6021 12.6021 13.8177 13.8177 13.9628 13.9628 14.8770 14.8770 16.0953 16.0953 16.6160 16.6160 17.1215 17.1215 k =-0.1860 0.4521 0.9363 ( 2453 PWs) bands (ev): -47.1804 -47.1804 -47.1767 -47.1767 -21.5012 -21.5012 -21.4916 -21.4916 -13.9426 -13.9426 -13.8615 -13.8615 -13.6868 -13.6868 -13.6054 -13.6054 6.0537 6.0537 6.0871 6.0871 7.5884 7.5884 7.6920 7.6920 8.0134 8.0134 9.9406 9.9406 11.4969 11.4969 12.5935 12.5935 13.8422 13.8422 13.9915 13.9915 14.8903 14.8903 16.0647 16.0647 16.5735 16.5735 17.0620 17.0620 k =-0.1913 0.4650 0.9224 ( 2453 PWs) bands (ev): -47.1808 -47.1808 -47.1769 -47.1769 -21.5003 -21.5003 -21.4904 -21.4904 -13.9408 -13.9408 -13.8642 -13.8642 -13.6794 -13.6794 -13.6026 -13.6026 6.0500 6.0500 6.0848 6.0848 7.5879 7.5879 7.6783 7.6783 8.0204 8.0204 9.9197 9.9197 11.4473 11.4473 12.5829 12.5829 13.8689 13.8689 14.0167 14.0167 14.9066 14.9066 16.0367 16.0367 16.5341 16.5341 17.0047 17.0047 k =-0.1967 0.4779 0.9084 ( 2455 PWs) bands (ev): -47.1811 -47.1811 -47.1772 -47.1772 -21.4996 -21.4996 -21.4893 -21.4893 -13.9389 -13.9389 -13.8670 -13.8670 -13.6722 -13.6722 -13.5999 -13.5999 6.0455 6.0455 6.0827 6.0827 7.5830 7.5830 7.6706 7.6706 8.0276 8.0276 9.8998 9.8998 11.4003 11.4003 12.5706 12.5706 13.8975 13.8975 14.0380 14.0380 14.9258 14.9258 16.0114 16.0114 16.4979 16.4979 16.9498 16.9498 k =-0.2020 0.4909 0.8944 ( 2451 PWs) bands (ev): -47.1814 -47.1814 -47.1774 -47.1774 -21.4987 -21.4987 -21.4881 -21.4881 -13.9370 -13.9370 -13.8697 -13.8697 -13.6651 -13.6651 -13.5975 -13.5975 6.0404 6.0404 6.0806 6.0806 7.5745 7.5745 7.6680 7.6680 8.0347 8.0347 9.8808 9.8808 11.3560 11.3560 12.5572 12.5572 13.9275 13.9275 14.0555 14.0555 14.9478 14.9478 15.9886 15.9886 16.4646 16.4646 16.8973 16.8973 k =-0.2073 0.5038 0.8804 ( 2455 PWs) bands (ev): -47.1816 -47.1816 -47.1776 -47.1776 -21.4980 -21.4980 -21.4872 -21.4872 -13.9352 -13.9352 -13.8725 -13.8725 -13.6583 -13.6583 -13.5953 -13.5953 6.0347 6.0347 6.0787 6.0787 7.5639 7.5639 7.6689 7.6689 8.0418 8.0418 9.8629 9.8629 11.3145 11.3145 12.5430 12.5430 13.9585 13.9585 14.0694 14.0694 14.9721 14.9721 15.9682 15.9682 16.4342 16.4342 16.8476 16.8476 k =-0.2126 0.5167 0.8664 ( 2453 PWs) bands (ev): -47.1819 -47.1819 -47.1777 -47.1777 -21.4973 -21.4973 -21.4862 -21.4862 -13.9333 -13.9333 -13.8752 -13.8752 -13.6517 -13.6517 -13.5934 -13.5934 6.0287 6.0287 6.0770 6.0770 7.5529 7.5529 7.6717 7.6717 8.0487 8.0487 9.8460 9.8460 11.2761 11.2761 12.5285 12.5285 13.9898 13.9898 14.0798 14.0798 14.9984 14.9984 15.9502 15.9502 16.4064 16.4064 16.8006 16.8006 k =-0.2179 0.5297 0.8524 ( 2449 PWs) bands (ev): -47.1821 -47.1821 -47.1779 -47.1779 -21.4967 -21.4967 -21.4853 -21.4853 -13.9313 -13.9313 -13.8779 -13.8779 -13.6455 -13.6455 -13.5918 -13.5918 6.0225 6.0225 6.0754 6.0754 7.5422 7.5422 7.6754 7.6754 8.0554 8.0554 9.8301 9.8301 11.2408 11.2408 12.5140 12.5140 14.0207 14.0207 14.0875 14.0875 15.0258 15.0258 15.9343 15.9343 16.3812 16.3812 16.7567 16.7567 k =-0.2233 0.5426 0.8385 ( 2449 PWs) bands (ev): -47.1824 -47.1824 -47.1781 -47.1781 -21.4960 -21.4960 -21.4845 -21.4845 -13.9294 -13.9294 -13.8806 -13.8806 -13.6395 -13.6395 -13.5905 -13.5905 6.0163 6.0163 6.0740 6.0740 7.5323 7.5323 7.6794 7.6794 8.0618 8.0618 9.8153 9.8153 11.2088 11.2088 12.4999 12.4999 14.0502 14.0502 14.0933 14.0933 15.0538 15.0538 15.9204 15.9204 16.3584 16.3584 16.7161 16.7161 k =-0.2286 0.5555 0.8245 ( 2451 PWs) bands (ev): -47.1826 -47.1826 -47.1782 -47.1782 -21.4955 -21.4955 -21.4838 -21.4838 -13.9274 -13.9274 -13.8832 -13.8832 -13.6340 -13.6340 -13.5894 -13.5894 6.0102 6.0102 6.0726 6.0726 7.5235 7.5235 7.6833 7.6833 8.0678 8.0678 9.8017 9.8017 11.1800 11.1800 12.4865 12.4865 14.0756 14.0756 14.0997 14.0997 15.0816 15.0816 15.9084 15.9084 16.3381 16.3381 16.6789 16.6789 k =-0.2339 0.5684 0.8105 ( 2451 PWs) bands (ev): -47.1827 -47.1827 -47.1783 -47.1783 -21.4950 -21.4950 -21.4831 -21.4831 -13.9255 -13.9255 -13.8857 -13.8857 -13.6288 -13.6288 -13.5887 -13.5887 6.0045 6.0045 6.0714 6.0714 7.5158 7.5158 7.6871 7.6871 8.0733 8.0733 9.7894 9.7894 11.1546 11.1546 12.4741 12.4741 14.0885 14.0885 14.1154 14.1154 15.1085 15.1085 15.8980 15.8980 16.3201 16.3201 16.6455 16.6455 k =-0.2392 0.5814 0.7965 ( 2451 PWs) bands (ev): -47.1829 -47.1829 -47.1785 -47.1785 -21.4947 -21.4947 -21.4825 -21.4825 -13.9236 -13.9236 -13.8881 -13.8881 -13.6241 -13.6241 -13.5883 -13.5883 5.9992 5.9992 6.0703 6.0703 7.5092 7.5092 7.6904 7.6904 8.0783 8.0783 9.7785 9.7785 11.1325 11.1325 12.4629 12.4629 14.0912 14.0912 14.1377 14.1377 15.1337 15.1337 15.8892 15.8892 16.3044 16.3044 16.6160 16.6160 k =-0.2446 0.5943 0.7825 ( 2447 PWs) bands (ev): -47.1830 -47.1830 -47.1786 -47.1786 -21.4942 -21.4942 -21.4820 -21.4820 -13.9217 -13.9217 -13.8904 -13.8904 -13.6198 -13.6198 -13.5881 -13.5881 5.9946 5.9946 6.0694 6.0694 7.5038 7.5038 7.6934 7.6934 8.0826 8.0826 9.7691 9.7691 11.1139 11.1139 12.4531 12.4531 14.0913 14.0913 14.1590 14.1590 15.1564 15.1564 15.8818 15.8818 16.2910 16.2910 16.5906 16.5906 k =-0.2499 0.6072 0.7685 ( 2443 PWs) bands (ev): -47.1831 -47.1831 -47.1786 -47.1786 -21.4939 -21.4939 -21.4816 -21.4816 -13.9199 -13.9199 -13.8925 -13.8925 -13.6160 -13.6160 -13.5881 -13.5881 5.9906 5.9906 6.0686 6.0686 7.4994 7.4994 7.6959 7.6959 8.0863 8.0863 9.7612 9.7612 11.0986 11.0986 12.4448 12.4448 14.0905 14.0905 14.1774 14.1774 15.1761 15.1761 15.8759 15.8759 16.2799 16.2799 16.5696 16.5696 k =-0.2552 0.6202 0.7545 ( 2443 PWs) bands (ev): -47.1832 -47.1832 -47.1787 -47.1787 -21.4936 -21.4936 -21.4813 -21.4813 -13.9184 -13.9184 -13.8943 -13.8943 -13.6129 -13.6129 -13.5884 -13.5884 5.9874 5.9874 6.0680 6.0680 7.4961 7.4961 7.6978 7.6978 8.0892 8.0892 9.7550 9.7550 11.0868 11.0868 12.4383 12.4383 14.0896 14.0896 14.1923 14.1923 15.1921 15.1921 15.8712 15.8712 16.2712 16.2712 16.5531 16.5531 k =-0.2605 0.6331 0.7406 ( 2437 PWs) bands (ev): -47.1833 -47.1833 -47.1787 -47.1787 -21.4934 -21.4934 -21.4810 -21.4810 -13.9170 -13.9170 -13.8958 -13.8958 -13.6105 -13.6105 -13.5887 -13.5887 5.9851 5.9851 6.0675 6.0675 7.4937 7.4937 7.6993 7.6993 8.0913 8.0913 9.7505 9.7505 11.0783 11.0783 12.4335 12.4335 14.0887 14.0887 14.2032 14.2032 15.2039 15.2039 15.8679 15.8679 16.2649 16.2649 16.5412 16.5412 k =-0.2658 0.6460 0.7266 ( 2437 PWs) bands (ev): -47.1833 -47.1833 -47.1788 -47.1788 -21.4932 -21.4932 -21.4809 -21.4809 -13.9161 -13.9161 -13.8968 -13.8968 -13.6090 -13.6090 -13.5890 -13.5890 5.9837 5.9837 6.0672 6.0672 7.4923 7.4923 7.7001 7.7001 8.0926 8.0926 9.7477 9.7477 11.0733 11.0733 12.4307 12.4307 14.0881 14.0881 14.2098 14.2098 15.2111 15.2111 15.8659 15.8659 16.2611 16.2611 16.5340 16.5340 k =-0.2712 0.6590 0.7126 ( 2435 PWs) bands (ev): -47.1833 -47.1833 -47.1788 -47.1788 -21.4932 -21.4932 -21.4808 -21.4808 -13.9158 -13.9158 -13.8971 -13.8971 -13.6085 -13.6085 -13.5891 -13.5891 5.9832 5.9832 6.0671 6.0671 7.4919 7.4919 7.7004 7.7004 8.0930 8.0930 9.7468 9.7468 11.0716 11.0716 12.4297 12.4297 14.0879 14.0879 14.2121 14.2121 15.2136 15.2136 15.8653 15.8653 16.2598 16.2598 16.5316 16.5316 k =-0.2712 0.6590 0.7126 ( 2435 PWs) bands (ev): -47.1833 -47.1833 -47.1788 -47.1788 -21.4932 -21.4932 -21.4808 -21.4808 -13.9158 -13.9158 -13.8971 -13.8971 -13.6085 -13.6085 -13.5891 -13.5891 5.9832 5.9832 6.0671 6.0671 7.4919 7.4919 7.7004 7.7004 8.0930 8.0930 9.7468 9.7468 11.0716 11.0716 12.4297 12.4297 14.0879 14.0879 14.2121 14.2121 15.2136 15.2136 15.8653 15.8653 16.2598 16.2598 16.5316 16.5316 k =-0.2658 0.6461 0.6986 ( 2437 PWs) bands (ev): -47.1825 -47.1825 -47.1794 -47.1794 -21.4912 -21.4912 -21.4835 -21.4835 -13.9156 -13.9156 -13.8997 -13.8997 -13.6072 -13.6072 -13.5905 -13.5905 5.9835 5.9835 6.0675 6.0675 7.4931 7.4931 7.7013 7.7013 8.0946 8.0946 9.8523 9.8523 10.9193 10.9193 12.5122 12.5122 14.1013 14.1013 14.1755 14.1755 15.2459 15.2459 15.8406 15.8406 16.2291 16.2292 16.5069 16.5069 k =-0.2605 0.6331 0.6846 ( 2445 PWs) bands (ev): -47.1818 -47.1818 -47.1801 -47.1801 -21.4892 -21.4892 -21.4861 -21.4861 -13.9161 -13.9161 -13.9010 -13.9010 -13.6070 -13.6070 -13.5909 -13.5909 5.9839 5.9839 6.0683 6.0683 7.4942 7.4942 7.7025 7.7025 8.0958 8.0958 9.9498 9.9498 10.7760 10.7760 12.5886 12.5886 14.1161 14.1161 14.1416 14.1416 15.2789 15.2789 15.8179 15.8179 16.2000 16.2000 16.4842 16.4842 k =-0.2552 0.6202 0.6707 ( 2445 PWs) bands (ev): -47.1810 -47.1810 -47.1808 -47.1808 -21.4886 -21.4886 -21.4870 -21.4870 -13.9174 -13.9174 -13.9008 -13.9008 -13.6077 -13.6077 -13.5901 -13.5901 5.9843 5.9843 6.0695 6.0695 7.4952 7.4952 7.7041 7.7041 8.0964 8.0964 10.0295 10.0295 10.6513 10.6513 12.6582 12.6582 14.1104 14.1104 14.1323 14.1323 15.3125 15.3125 15.7973 15.7973 16.1726 16.1726 16.4638 16.4638 k =-0.2499 0.6073 0.6567 ( 2437 PWs) bands (ev): -47.1815 -47.1815 -47.1803 -47.1803 -21.4907 -21.4907 -21.4848 -21.4848 -13.9192 -13.9192 -13.8992 -13.8992 -13.6093 -13.6093 -13.5883 -13.5883 5.9847 5.9847 6.0710 6.0710 7.4959 7.4959 7.7062 7.7062 8.0966 8.0966 10.0690 10.0690 10.5679 10.5679 12.7204 12.7204 14.0820 14.0820 14.1501 14.1501 15.3465 15.3465 15.7788 15.7788 16.1475 16.1475 16.4455 16.4455 k =-0.2446 0.5944 0.6427 ( 2437 PWs) bands (ev): -47.1822 -47.1822 -47.1795 -47.1795 -21.4930 -21.4930 -21.4824 -21.4824 -13.9214 -13.9214 -13.8969 -13.8969 -13.6114 -13.6114 -13.5861 -13.5861 5.9852 5.9852 6.0730 6.0730 7.4965 7.4965 7.7086 7.7086 8.0962 8.0962 10.0389 10.0389 10.5547 10.5547 12.7744 12.7744 14.0563 14.0563 14.1697 14.1697 15.3809 15.3809 15.7625 15.7625 16.1248 16.1248 16.4295 16.4295 k =-0.2393 0.5815 0.6288 ( 2437 PWs) bands (ev): -47.1830 -47.1830 -47.1788 -47.1788 -21.4952 -21.4952 -21.4800 -21.4800 -13.9235 -13.9235 -13.8938 -13.8938 -13.6138 -13.6138 -13.5834 -13.5834 5.9857 5.9857 6.0753 6.0753 7.4968 7.4968 7.7115 7.7115 8.0952 8.0952 9.9463 9.9463 10.6050 10.6050 12.8197 12.8197 14.0334 14.0334 14.1911 14.1911 15.4153 15.4153 15.7484 15.7484 16.1047 16.1047 16.4157 16.4157 k =-0.2339 0.5685 0.6148 ( 2433 PWs) bands (ev): -47.1838 -47.1838 -47.1782 -47.1782 -21.4973 -21.4973 -21.4773 -21.4773 -13.9255 -13.9255 -13.8903 -13.8903 -13.6163 -13.6163 -13.5806 -13.5806 5.9862 5.9862 6.0780 6.0780 7.4969 7.4969 7.7147 7.7147 8.0938 8.0938 9.8228 9.8228 10.6869 10.6869 12.8561 12.8561 14.0132 14.0132 14.2145 14.2145 15.4497 15.4497 15.7365 15.7365 16.0874 16.0874 16.4040 16.4040 k =-0.2286 0.5556 0.6008 ( 2433 PWs) bands (ev): -47.1846 -47.1846 -47.1775 -47.1775 -21.4993 -21.4993 -21.4747 -21.4747 -13.9273 -13.9273 -13.8863 -13.8863 -13.6188 -13.6188 -13.5778 -13.5778 5.9868 5.9868 6.0810 6.0810 7.4965 7.4965 7.7184 7.7184 8.0918 8.0918 9.6872 9.6872 10.7815 10.7815 12.8830 12.8830 13.9957 13.9957 14.2401 14.2401 15.4838 15.4838 15.7268 15.7268 16.0730 16.0730 16.3946 16.3946 k =-0.2233 0.5427 0.5868 ( 2431 PWs) bands (ev): -47.1854 -47.1854 -47.1769 -47.1769 -21.5012 -21.5012 -21.4719 -21.4719 -13.9289 -13.9289 -13.8820 -13.8820 -13.6212 -13.6212 -13.5748 -13.5748 5.9873 5.9873 6.0843 6.0843 7.4957 7.4957 7.7225 7.7225 8.0894 8.0894 9.5472 9.5472 10.8811 10.8811 12.9006 12.9006 13.9805 13.9805 14.2680 14.2680 15.5175 15.5175 15.7192 15.7192 16.0614 16.0614 16.3873 16.3873 k =-0.2180 0.5298 0.5729 ( 2439 PWs) bands (ev): -47.1862 -47.1862 -47.1763 -47.1763 -21.5030 -21.5030 -21.4693 -21.4693 -13.9302 -13.9302 -13.8774 -13.8774 -13.6235 -13.6235 -13.5720 -13.5720 5.9878 5.9878 6.0879 6.0879 7.4943 7.4943 7.7269 7.7269 8.0864 8.0864 9.4064 9.4064 10.9822 10.9822 12.9088 12.9088 13.9676 13.9676 14.2981 14.2981 15.5504 15.5504 15.7136 15.7136 16.0526 16.0526 16.3821 16.3821 k =-0.2127 0.5168 0.5589 ( 2437 PWs) bands (ev): -47.1871 -47.1871 -47.1757 -47.1757 -21.5048 -21.5048 -21.4663 -21.4663 -13.9313 -13.9313 -13.8725 -13.8725 -13.6257 -13.6257 -13.5691 -13.5691 5.9883 5.9883 6.0918 6.0918 7.4922 7.4922 7.7316 7.7316 8.0830 8.0830 9.2666 9.2666 11.0828 11.0828 12.9080 12.9080 13.9567 13.9567 14.3307 14.3307 15.5823 15.5823 15.7099 15.7099 16.0467 16.0467 16.3790 16.3790 k =-0.2074 0.5039 0.5449 ( 2441 PWs) bands (ev): -47.1879 -47.1879 -47.1752 -47.1752 -21.5064 -21.5064 -21.4635 -21.4635 -13.9321 -13.9321 -13.8674 -13.8674 -13.6277 -13.6277 -13.5663 -13.5663 5.9888 5.9888 6.0959 6.0959 7.4892 7.4892 7.7367 7.7367 8.0792 8.0792 9.1287 9.1287 11.1820 11.1820 12.8985 12.8985 13.9474 13.9474 14.3656 14.3656 15.6128 15.6128 15.7078 15.7078 16.0436 16.0436 16.3778 16.3778 k =-0.2020 0.4910 0.5309 ( 2441 PWs) bands (ev): -47.1888 -47.1888 -47.1747 -47.1747 -21.5079 -21.5079 -21.4605 -21.4605 -13.9327 -13.9327 -13.8620 -13.8620 -13.6295 -13.6295 -13.5635 -13.5635 5.9893 5.9893 6.1001 6.1001 7.4852 7.4852 7.7421 7.7421 8.0750 8.0750 8.9937 8.9937 11.2791 11.2791 12.8809 12.8809 13.9393 13.9393 14.4030 14.4030 15.6413 15.6413 15.7074 15.7074 16.0433 16.0433 16.3786 16.3786 k =-0.1967 0.4781 0.5170 ( 2441 PWs) bands (ev): -47.1897 -47.1897 -47.1742 -47.1742 -21.5093 -21.5093 -21.4574 -21.4574 -13.9330 -13.9330 -13.8565 -13.8565 -13.6310 -13.6310 -13.5607 -13.5607 5.9897 5.9897 6.1045 6.1045 7.4798 7.4798 7.7477 7.7477 8.0704 8.0704 8.8622 8.8622 11.3737 11.3737 12.8558 12.8558 13.9320 13.9320 14.4427 14.4427 15.6665 15.6665 15.7097 15.7097 16.0461 16.0461 16.3813 16.3813 k =-0.1914 0.4652 0.5030 ( 2441 PWs) bands (ev): -47.1906 -47.1906 -47.1737 -47.1737 -21.5107 -21.5107 -21.4543 -21.4543 -13.9332 -13.9332 -13.8509 -13.8509 -13.6321 -13.6321 -13.5581 -13.5581 5.9900 5.9900 6.1089 6.1089 7.4726 7.4726 7.7535 7.7535 8.0655 8.0655 8.7349 8.7349 11.4653 11.4653 12.8238 12.8238 13.9252 13.9252 14.4847 14.4847 15.6840 15.6840 15.7184 15.7184 16.0519 16.0519 16.3858 16.3858 k =-0.1861 0.4522 0.4890 ( 2449 PWs) bands (ev): -47.1915 -47.1915 -47.1732 -47.1732 -21.5120 -21.5120 -21.4513 -21.4513 -13.9331 -13.9331 -13.8452 -13.8452 -13.6330 -13.6330 -13.5556 -13.5556 5.9903 5.9903 6.1134 6.1134 7.4633 7.4633 7.7595 7.7595 8.0602 8.0602 8.6126 8.6126 11.5537 11.5537 12.7857 12.7857 13.9186 13.9186 14.5289 14.5289 15.6905 15.6905 15.7364 15.7364 16.0609 16.0609 16.3920 16.3920 k =-0.1808 0.4393 0.4751 ( 2449 PWs) bands (ev): -47.1924 -47.1924 -47.1728 -47.1728 -21.5131 -21.5131 -21.4481 -21.4481 -13.9329 -13.9329 -13.8394 -13.8394 -13.6335 -13.6335 -13.5531 -13.5531 5.9905 5.9905 6.1178 6.1178 7.4511 7.4511 7.7655 7.7655 8.0545 8.0545 8.4964 8.4964 11.6387 11.6387 12.7420 12.7420 13.9117 13.9117 14.5750 14.5750 15.6914 15.6914 15.7584 15.7584 16.0731 16.0731 16.3998 16.3998 k =-0.1755 0.4264 0.4611 ( 2447 PWs) bands (ev): -47.1933 -47.1933 -47.1724 -47.1724 -21.5141 -21.5141 -21.4449 -21.4449 -13.9324 -13.9324 -13.8335 -13.8335 -13.6335 -13.6335 -13.5506 -13.5506 5.9906 5.9906 6.1222 6.1222 7.4354 7.4354 7.7715 7.7715 8.0480 8.0480 8.3874 8.3874 11.7201 11.7201 12.6936 12.6936 13.9042 13.9042 14.6228 14.6228 15.6899 15.6899 15.7809 15.7809 16.0886 16.0886 16.4091 16.4091 k =-0.1701 0.4135 0.4471 ( 2441 PWs) bands (ev): -47.1942 -47.1942 -47.1720 -47.1720 -21.5150 -21.5150 -21.4417 -21.4417 -13.9318 -13.9318 -13.8277 -13.8277 -13.6331 -13.6331 -13.5483 -13.5483 5.9905 5.9905 6.1264 6.1264 7.4152 7.4152 7.7774 7.7774 8.0400 8.0400 8.2878 8.2878 11.7977 11.7977 12.6410 12.6410 13.8959 13.8959 14.6722 14.6722 15.6874 15.6874 15.8032 15.8032 16.1072 16.1072 16.4197 16.4197 k =-0.1648 0.4006 0.4331 ( 2445 PWs) bands (ev): -47.1952 -47.1952 -47.1717 -47.1717 -21.5159 -21.5159 -21.4385 -21.4385 -13.9312 -13.9312 -13.8219 -13.8219 -13.6323 -13.6323 -13.5461 -13.5461 5.9904 5.9904 6.1303 6.1303 7.3893 7.3893 7.7830 7.7830 8.0282 8.0282 8.2012 8.2012 11.8715 11.8715 12.5850 12.5850 13.8864 13.8864 14.7227 14.7227 15.6844 15.6844 15.8249 15.8249 16.1288 16.1288 16.4317 16.4317 k =-0.1595 0.3876 0.4192 ( 2429 PWs) bands (ev): -47.1961 -47.1961 -47.1713 -47.1713 -21.5165 -21.5165 -21.4351 -21.4351 -13.9303 -13.9303 -13.8161 -13.8161 -13.6309 -13.6309 -13.5439 -13.5439 5.9901 5.9901 6.1340 6.1340 7.3565 7.3565 7.7883 7.7883 8.0074 8.0074 8.1344 8.1344 11.9411 11.9411 12.5264 12.5264 13.8755 13.8755 14.7741 14.7741 15.6816 15.6816 15.8463 15.8463 16.1533 16.1533 16.4447 16.4447 k =-0.1542 0.3747 0.4052 ( 2421 PWs) bands (ev): -47.1970 -47.1970 -47.1710 -47.1710 -21.5172 -21.5172 -21.4318 -21.4318 -13.9295 -13.9295 -13.8105 -13.8105 -13.6290 -13.6290 -13.5418 -13.5418 5.9897 5.9897 6.1374 6.1374 7.3159 7.3159 7.7932 7.7932 7.9712 7.9712 8.0950 8.0950 12.0061 12.0061 12.4660 12.4660 13.8630 13.8630 14.8261 14.8261 15.6795 15.6795 15.8672 15.8672 16.1805 16.1805 16.4588 16.4588 k =-0.1489 0.3618 0.3912 ( 2421 PWs) bands (ev): -47.1979 -47.1979 -47.1707 -47.1707 -21.5179 -21.5179 -21.4286 -21.4286 -13.9287 -13.9287 -13.8051 -13.8051 -13.6267 -13.6267 -13.5399 -13.5399 5.9891 5.9891 6.1403 6.1403 7.2670 7.2670 7.7973 7.7973 7.9260 7.9260 8.0773 8.0773 12.0654 12.0654 12.4056 12.4056 13.8487 13.8487 14.8782 14.8782 15.6788 15.6788 15.8878 15.8878 16.2103 16.2103 16.4739 16.4739 k =-0.1436 0.3489 0.3773 ( 2419 PWs) bands (ev): -47.1987 -47.1987 -47.1704 -47.1704 -21.5185 -21.5185 -21.4253 -21.4253 -13.9279 -13.9279 -13.7997 -13.7997 -13.6238 -13.6238 -13.5381 -13.5381 5.9883 5.9883 6.1428 6.1428 7.2101 7.2101 7.8007 7.8007 7.8831 7.8831 8.0700 8.0700 12.1157 12.1157 12.3490 12.3490 13.8325 13.8325 14.9302 14.9302 15.6801 15.6801 15.9082 15.9082 16.2426 16.2426 16.4898 16.4898 k =-0.1382 0.3359 0.3633 ( 2415 PWs) bands (ev): -47.1996 -47.1996 -47.1702 -47.1702 -21.5190 -21.5190 -21.4220 -21.4220 -13.9271 -13.9271 -13.7945 -13.7945 -13.6205 -13.6205 -13.5363 -13.5363 5.9874 5.9874 6.1447 6.1447 7.1465 7.1465 7.8030 7.8030 7.8474 7.8474 8.0675 8.0675 12.1456 12.1456 12.3082 12.3082 13.8143 13.8143 14.9818 14.9818 15.6840 15.6840 15.9285 15.9285 16.2773 16.2773 16.5064 16.5064 k =-0.1329 0.3230 0.3493 ( 2415 PWs) bands (ev): -47.2005 -47.2005 -47.1700 -47.1700 -21.5195 -21.5195 -21.4189 -21.4189 -13.9264 -13.9264 -13.7895 -13.7895 -13.6168 -13.6168 -13.5347 -13.5347 5.9863 5.9863 6.1460 6.1460 7.0778 7.0778 7.8023 7.8023 7.8210 7.8210 8.0680 8.0680 12.1323 12.1323 12.3061 12.3061 13.7940 13.7940 15.0325 15.0325 15.6909 15.6909 15.9489 15.9489 16.3143 16.3143 16.5238 16.5238 k =-0.1276 0.3101 0.3353 ( 2419 PWs) bands (ev): -47.2014 -47.2014 -47.1698 -47.1698 -21.5200 -21.5200 -21.4158 -21.4158 -13.9259 -13.9259 -13.7846 -13.7846 -13.6127 -13.6127 -13.5332 -13.5332 5.9850 5.9850 6.1465 6.1465 7.0059 7.0059 7.7904 7.7904 7.8114 7.8114 8.0705 8.0705 12.0833 12.0833 12.3360 12.3360 13.7718 13.7718 15.0821 15.0821 15.7012 15.7012 15.9697 15.9697 16.3534 16.3534 16.5418 16.5418 k =-0.1223 0.2972 0.3214 ( 2419 PWs) bands (ev): -47.2022 -47.2022 -47.1696 -47.1696 -21.5203 -21.5203 -21.4128 -21.4128 -13.9253 -13.9253 -13.7798 -13.7798 -13.6083 -13.6083 -13.5317 -13.5317 5.9835 5.9835 6.1463 6.1463 6.9324 6.9324 7.7744 7.7744 7.8103 7.8103 8.0747 8.0747 12.0215 12.0215 12.3756 12.3756 13.7478 13.7478 15.1304 15.1304 15.7150 15.7150 15.9911 15.9911 16.3946 16.3946 16.5605 16.5605 k =-0.1170 0.2843 0.3074 ( 2423 PWs) bands (ev): -47.2030 -47.2030 -47.1694 -47.1694 -21.5207 -21.5207 -21.4098 -21.4098 -13.9249 -13.9249 -13.7752 -13.7752 -13.6036 -13.6036 -13.5303 -13.5303 5.9817 5.9817 6.1452 6.1452 6.8588 6.8588 7.7614 7.7614 7.8097 7.8097 8.0803 8.0803 11.9554 11.9554 12.4163 12.4163 13.7221 13.7221 15.1770 15.1770 15.7325 15.7325 16.0134 16.0134 16.4378 16.4378 16.5796 16.5796 k =-0.1117 0.2713 0.2934 ( 2427 PWs) bands (ev): -47.2038 -47.2038 -47.1693 -47.1693 -21.5210 -21.5210 -21.4069 -21.4069 -13.9246 -13.9246 -13.7706 -13.7706 -13.5987 -13.5987 -13.5290 -13.5290 5.9798 5.9798 6.1430 6.1430 6.7863 6.7863 7.7513 7.7513 7.8088 7.8088 8.0871 8.0871 11.8881 11.8881 12.4560 12.4560 13.6950 13.6950 15.2218 15.2218 15.7537 15.7537 16.0370 16.0370 16.4826 16.4826 16.5993 16.5993 k =-0.1063 0.2584 0.2794 ( 2427 PWs) bands (ev): -47.2046 -47.2046 -47.1691 -47.1691 -21.5212 -21.5212 -21.4041 -21.4041 -13.9243 -13.9243 -13.7661 -13.7661 -13.5936 -13.5936 -13.5277 -13.5277 5.9776 5.9776 6.1397 6.1397 6.7158 6.7158 7.7437 7.7437 7.8075 7.8075 8.0949 8.0949 11.8206 11.8206 12.4937 12.4937 13.6667 13.6667 15.2647 15.2647 15.7786 15.7786 16.0622 16.0622 16.5291 16.5291 16.6194 16.6194 k =-0.1010 0.2455 0.2655 ( 2423 PWs) bands (ev): -47.2054 -47.2054 -47.1690 -47.1690 -21.5213 -21.5213 -21.4013 -21.4013 -13.9242 -13.9242 -13.7616 -13.7616 -13.5885 -13.5885 -13.5263 -13.5263 5.9751 5.9751 6.1350 6.1350 6.6483 6.6483 7.7380 7.7380 7.8059 7.8059 8.1035 8.1035 11.7538 11.7538 12.5291 12.5291 13.6375 13.6375 15.3055 15.3055 15.8069 15.8069 16.0892 16.0892 16.5769 16.5769 16.6399 16.6399 k =-0.0957 0.2326 0.2515 ( 2419 PWs) bands (ev): -47.2061 -47.2061 -47.1689 -47.1689 -21.5214 -21.5214 -21.3986 -21.3986 -13.9241 -13.9241 -13.7572 -13.7572 -13.5834 -13.5834 -13.5250 -13.5250 5.9723 5.9723 6.1288 6.1288 6.5845 6.5845 7.7340 7.7340 7.8039 7.8039 8.1127 8.1127 11.6881 11.6881 12.5621 12.5621 13.6078 13.6078 15.3441 15.3441 15.8386 15.8386 16.1181 16.1181 16.6259 16.6259 16.6607 16.6607 k =-0.0904 0.2197 0.2375 ( 2417 PWs) bands (ev): -47.2068 -47.2068 -47.1688 -47.1688 -21.5215 -21.5215 -21.3960 -21.3960 -13.9242 -13.9242 -13.7528 -13.7528 -13.5784 -13.5784 -13.5236 -13.5236 5.9693 5.9693 6.1206 6.1206 6.5251 6.5251 7.7313 7.7313 7.8018 7.8018 8.1224 8.1224 11.6240 11.6240 12.5927 12.5927 13.5778 13.5778 15.3804 15.3804 15.8735 15.8735 16.1492 16.1492 16.6758 16.6758 16.6819 16.6819 k =-0.0851 0.2067 0.2236 ( 2413 PWs) bands (ev): -47.2075 -47.2075 -47.1687 -47.1687 -21.5215 -21.5215 -21.3935 -21.3935 -13.9244 -13.9244 -13.7485 -13.7485 -13.5737 -13.5737 -13.5221 -13.5221 5.9657 5.9657 6.1103 6.1103 6.4709 6.4709 7.7297 7.7297 7.7996 7.7996 8.1325 8.1325 11.5618 11.5618 12.6209 12.6209 13.5479 13.5479 15.4146 15.4146 15.9114 15.9114 16.1823 16.1823 16.7030 16.7030 16.7269 16.7269 k =-0.0798 0.1938 0.2096 ( 2411 PWs) bands (ev): -47.2081 -47.2081 -47.1686 -47.1686 -21.5216 -21.5216 -21.3912 -21.3912 -13.9246 -13.9246 -13.7444 -13.7444 -13.5692 -13.5692 -13.5205 -13.5205 5.9617 5.9617 6.0974 6.0974 6.4226 6.4226 7.7289 7.7289 7.7972 7.7972 8.1427 8.1427 11.5017 11.5017 12.6467 12.6467 13.5183 13.5183 15.4465 15.4465 15.9521 15.9521 16.2174 16.2174 16.7244 16.7244 16.7784 16.7784 k =-0.0744 0.1809 0.1956 ( 2407 PWs) bands (ev): -47.2087 -47.2087 -47.1685 -47.1685 -21.5215 -21.5215 -21.3889 -21.3889 -13.9249 -13.9249 -13.7403 -13.7403 -13.5652 -13.5652 -13.5187 -13.5187 5.9570 5.9570 6.0820 6.0820 6.3808 6.3808 7.7289 7.7289 7.7949 7.7949 8.1529 8.1529 11.4441 11.4441 12.6702 12.6702 13.4893 13.4893 15.4761 15.4761 15.9954 15.9954 16.2543 16.2543 16.7460 16.7460 16.8301 16.8301 k =-0.0691 0.1680 0.1816 ( 2409 PWs) bands (ev): -47.2093 -47.2093 -47.1684 -47.1684 -21.5216 -21.5216 -21.3868 -21.3868 -13.9254 -13.9254 -13.7364 -13.7364 -13.5616 -13.5616 -13.5167 -13.5167 5.9512 5.9512 6.0642 6.0642 6.3456 6.3456 7.7294 7.7294 7.7926 7.7926 8.1630 8.1630 11.3893 11.3893 12.6914 12.6914 13.4613 13.4613 15.5036 15.5036 16.0411 16.0411 16.2926 16.2926 16.7677 16.7677 16.8820 16.8820 k =-0.0638 0.1551 0.1677 ( 2413 PWs) bands (ev): -47.2098 -47.2098 -47.1684 -47.1684 -21.5216 -21.5216 -21.3849 -21.3849 -13.9258 -13.9258 -13.7327 -13.7327 -13.5585 -13.5585 -13.5145 -13.5145 5.9439 5.9439 6.0450 6.0450 6.3169 6.3169 7.7304 7.7304 7.7905 7.7905 8.1729 8.1729 11.3375 11.3375 12.7106 12.7106 13.4344 13.4344 15.5289 15.5289 16.0889 16.0889 16.3319 16.3319 16.7895 16.7895 16.9337 16.9337 k =-0.0585 0.1421 0.1537 ( 2417 PWs) bands (ev): -47.2103 -47.2103 -47.1683 -47.1683 -21.5216 -21.5216 -21.3831 -21.3831 -13.9263 -13.9263 -13.7291 -13.7291 -13.5560 -13.5560 -13.5122 -13.5122 5.9343 5.9343 6.0260 6.0260 6.2940 6.2940 7.7317 7.7317 7.7884 7.7884 8.1825 8.1825 11.2889 11.2889 12.7276 12.7276 13.4088 13.4088 15.5521 15.5521 16.1386 16.1386 16.3717 16.3717 16.8114 16.8114 16.9849 16.9849 k =-0.0532 0.1292 0.1397 ( 2417 PWs) bands (ev): -47.2108 -47.2108 -47.1683 -47.1683 -21.5216 -21.5216 -21.3814 -21.3814 -13.9268 -13.9268 -13.7257 -13.7257 -13.5539 -13.5539 -13.5097 -13.5097 5.9216 5.9216 6.0091 6.0091 6.2760 6.2760 7.7333 7.7333 7.7865 7.7865 8.1917 8.1917 11.2438 11.2438 12.7428 12.7428 13.3848 13.3848 15.5733 15.5733 16.1897 16.1897 16.4114 16.4114 16.8333 16.8333 17.0353 17.0353 k =-0.0479 0.1163 0.1258 ( 2407 PWs) bands (ev): -47.2112 -47.2112 -47.1683 -47.1683 -21.5216 -21.5216 -21.3797 -21.3797 -13.9272 -13.9272 -13.7224 -13.7224 -13.5521 -13.5521 -13.5071 -13.5071 5.9058 5.9058 5.9955 5.9955 6.2619 6.2619 7.7350 7.7350 7.7847 7.7847 8.2003 8.2003 11.2024 11.2024 12.7561 12.7561 13.3626 13.3626 15.5925 15.5925 16.2419 16.2419 16.4501 16.4501 16.8550 16.8550 17.0846 17.0846 k =-0.0425 0.1034 0.1118 ( 2413 PWs) bands (ev): -47.2116 -47.2116 -47.1682 -47.1682 -21.5216 -21.5216 -21.3784 -21.3784 -13.9277 -13.9277 -13.7194 -13.7194 -13.5509 -13.5509 -13.5047 -13.5047 5.8876 5.8876 5.9854 5.9854 6.2508 6.2508 7.7367 7.7367 7.7832 7.7832 8.2082 8.2082 11.1647 11.1647 12.7677 12.7677 13.3423 13.3423 15.6097 15.6097 16.2947 16.2947 16.4872 16.4872 16.8763 16.8763 17.1325 17.1325 k =-0.0372 0.0904 0.0978 ( 2411 PWs) bands (ev): -47.2119 -47.2119 -47.1682 -47.1682 -21.5215 -21.5215 -21.3771 -21.3771 -13.9281 -13.9281 -13.7167 -13.7167 -13.5499 -13.5499 -13.5023 -13.5023 5.8686 5.8686 5.9781 5.9781 6.2421 6.2421 7.7384 7.7384 7.7818 7.7818 8.2155 8.2155 11.1311 11.1311 12.7776 12.7776 13.3241 13.3241 15.6249 15.6249 16.3475 16.3475 16.5217 16.5217 16.8965 16.8965 17.1789 17.1789 k =-0.0319 0.0775 0.0838 ( 2415 PWs) bands (ev): -47.2122 -47.2122 -47.1682 -47.1682 -21.5215 -21.5215 -21.3761 -21.3761 -13.9286 -13.9286 -13.7143 -13.7143 -13.5492 -13.5492 -13.5001 -13.5001 5.8503 5.8503 5.9727 5.9727 6.2353 6.2353 7.7400 7.7400 7.7806 7.7806 8.2219 8.2219 11.1017 11.1017 12.7860 12.7860 13.3081 13.3081 15.6382 15.6382 16.3993 16.3993 16.5531 16.5531 16.9147 16.9147 17.2238 17.2238 k =-0.0266 0.0646 0.0699 ( 2415 PWs) bands (ev): -47.2125 -47.2125 -47.1682 -47.1682 -21.5215 -21.5215 -21.3752 -21.3752 -13.9289 -13.9289 -13.7123 -13.7123 -13.5487 -13.5487 -13.4981 -13.4981 5.8336 5.8336 5.9687 5.9687 6.2299 6.2299 7.7414 7.7414 7.7796 7.7796 8.2275 8.2275 11.0765 11.0765 12.7929 12.7929 13.2943 13.2943 15.6495 15.6495 16.4492 16.4492 16.5806 16.5806 16.9296 16.9296 17.2676 17.2676 k =-0.0213 0.0517 0.0559 ( 2415 PWs) bands (ev): -47.2127 -47.2127 -47.1681 -47.1681 -21.5215 -21.5215 -21.3744 -21.3744 -13.9292 -13.9292 -13.7105 -13.7105 -13.5484 -13.5484 -13.4964 -13.4964 5.8193 5.8193 5.9657 5.9657 6.2258 6.2258 7.7426 7.7426 7.7788 7.7788 8.2321 8.2321 11.0558 11.0558 12.7985 12.7985 13.2829 13.2829 15.6587 15.6587 16.4955 16.4955 16.6039 16.6039 16.9399 16.9399 17.3112 17.3112 k =-0.0160 0.0388 0.0419 ( 2415 PWs) bands (ev): -47.2128 -47.2128 -47.1681 -47.1681 -21.5214 -21.5214 -21.3739 -21.3739 -13.9295 -13.9295 -13.7091 -13.7091 -13.5482 -13.5482 -13.4951 -13.4951 5.8078 5.8078 5.9635 5.9635 6.2227 6.2227 7.7436 7.7436 7.7782 7.7782 8.2358 8.2358 11.0395 11.0395 12.8027 12.8027 13.2740 13.2740 15.6659 15.6659 16.5360 16.5360 16.6229 16.6229 16.9449 16.9449 17.3558 17.3558 k =-0.0106 0.0258 0.0279 ( 2419 PWs) bands (ev): -47.2130 -47.2130 -47.1681 -47.1681 -21.5214 -21.5214 -21.3735 -21.3735 -13.9297 -13.9297 -13.7081 -13.7081 -13.5480 -13.5480 -13.4941 -13.4941 5.7994 5.7994 5.9620 5.9620 6.2206 6.2206 7.7443 7.7443 7.7778 7.7778 8.2384 8.2384 11.0279 11.0279 12.8057 12.8057 13.2676 13.2676 15.6711 15.6711 16.5678 16.5678 16.6376 16.6376 16.9453 16.9453 17.4020 17.4020 k =-0.0053 0.0129 0.0140 ( 2419 PWs) bands (ev): -47.2130 -47.2130 -47.1681 -47.1681 -21.5214 -21.5214 -21.3732 -21.3732 -13.9298 -13.9298 -13.7075 -13.7075 -13.5480 -13.5480 -13.4935 -13.4935 5.7943 5.7943 5.9611 5.9611 6.2194 6.2194 7.7448 7.7448 7.7776 7.7776 8.2400 8.2400 11.0209 11.0209 12.8075 12.8075 13.2637 13.2637 15.6742 15.6742 16.5880 16.5880 16.6475 16.6475 16.9435 16.9435 17.4483 17.4483 k = 0.0000 0.0000 0.0000 ( 2419 PWs) bands (ev): -47.2131 -47.2131 -47.1681 -47.1681 -21.5214 -21.5214 -21.3732 -21.3732 -13.9298 -13.9298 -13.7073 -13.7073 -13.5480 -13.5480 -13.4934 -13.4934 5.7926 5.7926 5.9608 5.9608 6.2190 6.2190 7.7449 7.7449 7.7775 7.7775 8.2406 8.2406 11.0185 11.0185 12.8081 12.8081 13.2624 13.2624 15.6752 15.6752 16.5949 16.5949 16.6512 16.6512 16.9425 16.9425 17.4774 17.4774 k = 0.0000 0.0000 0.0000 ( 2419 PWs) bands (ev): -47.2131 -47.2131 -47.1681 -47.1681 -21.5214 -21.5214 -21.3732 -21.3732 -13.9298 -13.9298 -13.7073 -13.7073 -13.5480 -13.5480 -13.4934 -13.4934 5.7926 5.7926 5.9608 5.9608 6.2190 6.2190 7.7449 7.7449 7.7775 7.7775 8.2406 8.2406 11.0185 11.0185 12.8081 12.8081 13.2624 13.2624 15.6752 15.6752 16.5949 16.5949 16.6512 16.6512 16.9425 16.9425 17.4774 17.4774 k = 0.0179 0.0073-0.0000 ( 2423 PWs) bands (ev): -47.2130 -47.2130 -47.1681 -47.1681 -21.5214 -21.5214 -21.3732 -21.3732 -13.9297 -13.9297 -13.7074 -13.7074 -13.5481 -13.5481 -13.4934 -13.4934 5.7937 5.7937 5.9608 5.9608 6.2195 6.2195 7.7449 7.7449 7.7775 7.7775 8.2406 8.2406 11.0084 11.0084 12.8159 12.8159 13.2632 13.2632 15.6743 15.6743 16.5647 16.5647 16.6786 16.6786 16.9334 16.9334 17.4781 17.4781 k = 0.0357 0.0147-0.0000 ( 2416 PWs) bands (ev): -47.2130 -47.2130 -47.1681 -47.1681 -21.5213 -21.5213 -21.3732 -21.3732 -13.9293 -13.9293 -13.7073 -13.7073 -13.5485 -13.5485 -13.4932 -13.4932 5.7969 5.7969 5.9607 5.9607 6.2210 6.2210 7.7448 7.7448 7.7775 7.7775 8.2405 8.2405 10.9785 10.9785 12.8386 12.8386 13.2653 13.2653 15.6713 15.6713 16.5156 16.5156 16.7196 16.7196 16.9080 16.9080 17.4819 17.4819 k = 0.0536 0.0220-0.0000 ( 2420 PWs) bands (ev): -47.2130 -47.2130 -47.1682 -47.1682 -21.5212 -21.5212 -21.3734 -21.3734 -13.9287 -13.9287 -13.7074 -13.7074 -13.5493 -13.5493 -13.4932 -13.4932 5.8021 5.8021 5.9606 5.9606 6.2237 6.2237 7.7447 7.7447 7.7774 7.7774 8.2405 8.2405 10.9307 10.9307 12.8744 12.8744 13.2690 13.2690 15.6663 15.6663 16.4634 16.4634 16.7583 16.7583 16.8706 16.8706 17.4925 17.4925 k = 0.0714 0.0294-0.0000 ( 2420 PWs) bands (ev): -47.2130 -47.2130 -47.1682 -47.1682 -21.5210 -21.5210 -21.3736 -21.3736 -13.9278 -13.9278 -13.7075 -13.7075 -13.5503 -13.5503 -13.4931 -13.4931 5.8093 5.8093 5.9605 5.9605 6.2276 6.2276 7.7445 7.7445 7.7774 7.7774 8.2405 8.2405 10.8673 10.8673 12.9210 12.9210 13.2740 13.2740 15.6595 15.6595 16.4104 16.4104 16.7927 16.7927 16.8256 16.8256 17.5128 17.5128 k = 0.0893 0.0367-0.0000 ( 2420 PWs) bands (ev): -47.2129 -47.2129 -47.1682 -47.1682 -21.5208 -21.5208 -21.3738 -21.3738 -13.9266 -13.9266 -13.7075 -13.7075 -13.5515 -13.5515 -13.4931 -13.4931 5.8182 5.8182 5.9603 5.9603 6.2327 6.2327 7.7442 7.7442 7.7774 7.7774 8.2404 8.2404 10.7910 10.7910 12.9756 12.9756 13.2803 13.2803 15.6508 15.6508 16.3577 16.3577 16.7764 16.7764 16.8230 16.8230 17.5442 17.5442 k = 0.1071 0.0441-0.0000 ( 2408 PWs) bands (ev): -47.2129 -47.2129 -47.1683 -47.1683 -21.5204 -21.5204 -21.3739 -21.3739 -13.9252 -13.9252 -13.7075 -13.7075 -13.5529 -13.5529 -13.4929 -13.4929 5.8287 5.8287 5.9602 5.9602 6.2395 6.2395 7.7439 7.7439 7.7775 7.7775 8.2403 8.2403 10.7042 10.7042 13.0357 13.0357 13.2880 13.2880 15.6403 15.6403 16.3056 16.3056 16.7252 16.7252 16.8499 16.8499 17.5870 17.5870 k = 0.1250 0.0514-0.0000 ( 2408 PWs) bands (ev): -47.2128 -47.2128 -47.1683 -47.1683 -21.5201 -21.5201 -21.3742 -21.3742 -13.9236 -13.9236 -13.7076 -13.7076 -13.5547 -13.5547 -13.4928 -13.4928 5.8403 5.8403 5.9599 5.9599 6.2479 6.2479 7.7435 7.7435 7.7777 7.7777 8.2402 8.2402 10.6094 10.6094 13.0989 13.0989 13.2969 13.2969 15.6282 15.6282 16.2547 16.2547 16.6735 16.6735 16.8751 16.8751 17.6400 17.6400 k = 0.1429 0.0588-0.0000 ( 2408 PWs) bands (ev): -47.2128 -47.2128 -47.1684 -47.1684 -21.5198 -21.5198 -21.3745 -21.3745 -13.9218 -13.9218 -13.7077 -13.7077 -13.5567 -13.5567 -13.4926 -13.4926 5.8528 5.8528 5.9597 5.9597 6.2583 6.2583 7.7431 7.7431 7.7780 7.7780 8.2401 8.2401 10.5082 10.5082 13.1633 13.1633 13.3069 13.3069 15.6145 15.6145 16.2053 16.2053 16.6223 16.6223 16.9002 16.9002 17.7021 17.7021 k = 0.1607 0.0661-0.0000 ( 2420 PWs) bands (ev): -47.2127 -47.2127 -47.1685 -47.1685 -21.5198 -21.5198 -21.3748 -21.3748 -13.9202 -13.9202 -13.7080 -13.7080 -13.5587 -13.5587 -13.4924 -13.4924 5.8659 5.8659 5.9594 5.9594 6.2709 6.2709 7.7427 7.7427 7.7785 7.7785 8.2400 8.2400 10.4025 10.4025 13.2273 13.2273 13.3181 13.3181 15.5995 15.5995 16.1575 16.1575 16.5723 16.5723 16.9268 16.9268 17.7717 17.7717 k = 0.1786 0.0735-0.0000 ( 2412 PWs) bands (ev): -47.2126 -47.2126 -47.1685 -47.1685 -21.5194 -21.5194 -21.3750 -21.3750 -13.9181 -13.9181 -13.7081 -13.7081 -13.5610 -13.5610 -13.4922 -13.4922 5.8791 5.8791 5.9591 5.9591 6.2859 6.2859 7.7422 7.7422 7.7793 7.7793 8.2399 8.2399 10.2935 10.2935 13.2897 13.2897 13.3302 13.3302 15.5832 15.5832 16.1117 16.1117 16.5238 16.5238 16.9562 16.9562 17.8475 17.8475 k = 0.1964 0.0808-0.0000 ( 2408 PWs) bands (ev): -47.2125 -47.2125 -47.1686 -47.1686 -21.5189 -21.5189 -21.3754 -21.3754 -13.9158 -13.9158 -13.7082 -13.7082 -13.5635 -13.5635 -13.4920 -13.4920 5.8920 5.8920 5.9588 5.9588 6.3037 6.3037 7.7417 7.7417 7.7805 7.7805 8.2398 8.2398 10.1824 10.1824 13.3431 13.3431 13.3495 13.3495 15.5658 15.5658 16.0678 16.0678 16.4773 16.4773 16.9892 16.9892 17.9283 17.9283 k = 0.2143 0.0882-0.0000 ( 2408 PWs) bands (ev): -47.2125 -47.2125 -47.1687 -47.1687 -21.5185 -21.5185 -21.3758 -21.3758 -13.9133 -13.9133 -13.7084 -13.7084 -13.5662 -13.5662 -13.4919 -13.4919 5.9044 5.9044 5.9584 5.9584 6.3242 6.3242 7.7412 7.7412 7.7820 7.7820 8.2396 8.2396 10.0702 10.0702 13.3567 13.3567 13.4059 13.4059 15.5476 15.5476 16.0261 16.0261 16.4328 16.4328 17.0263 17.0263 18.0130 18.0130 k = 0.2321 0.0955-0.0000 ( 2400 PWs) bands (ev): -47.2124 -47.2124 -47.1688 -47.1688 -21.5180 -21.5180 -21.3762 -21.3762 -13.9108 -13.9108 -13.7085 -13.7085 -13.5689 -13.5689 -13.4916 -13.4916 5.9158 5.9158 5.9581 5.9581 6.3476 6.3476 7.7406 7.7406 7.7840 7.7840 8.2395 8.2395 9.9577 9.9577 13.3709 13.3709 13.4584 13.4584 15.5286 15.5286 15.9866 15.9866 16.3907 16.3907 17.0679 17.0679 18.1009 18.1009 k = 0.2500 0.1029-0.0000 ( 2416 PWs) bands (ev): -47.2123 -47.2123 -47.1689 -47.1689 -21.5177 -21.5177 -21.3769 -21.3769 -13.9083 -13.9083 -13.7088 -13.7088 -13.5719 -13.5719 -13.4916 -13.4916 5.9262 5.9262 5.9578 5.9578 6.3738 6.3738 7.7401 7.7401 7.7866 7.7866 8.2394 8.2394 9.8458 9.8458 13.3856 13.3856 13.5067 13.5067 15.5093 15.5093 15.9494 15.9494 16.3509 16.3509 17.1136 17.1136 18.1911 18.1911 k = 0.2679 0.1102-0.0000 ( 2416 PWs) bands (ev): -47.2122 -47.2122 -47.1689 -47.1689 -21.5172 -21.5172 -21.3773 -21.3773 -13.9056 -13.9056 -13.7089 -13.7089 -13.5748 -13.5748 -13.4914 -13.4914 5.9355 5.9355 5.9574 5.9574 6.4025 6.4025 7.7396 7.7396 7.7899 7.7899 8.2392 8.2392 9.7351 9.7351 13.4004 13.4004 13.5507 13.5507 15.4896 15.4896 15.9146 15.9146 16.3136 16.3136 17.1633 17.1633 18.2665 18.2665 k = 0.2857 0.1176-0.0000 ( 2420 PWs) bands (ev): -47.2122 -47.2122 -47.1690 -47.1690 -21.5167 -21.5167 -21.3779 -21.3779 -13.9030 -13.9030 -13.7090 -13.7090 -13.5778 -13.5778 -13.4913 -13.4913 5.9435 5.9435 5.9571 5.9571 6.4334 6.4334 7.7390 7.7390 7.7940 7.7940 8.2391 8.2391 9.6263 9.6263 13.4154 13.4154 13.5902 13.5902 15.4700 15.4700 15.8822 15.8822 16.2790 16.2790 17.2162 17.2162 18.2603 18.2603 k = 0.3036 0.1249-0.0000 ( 2420 PWs) bands (ev): -47.2121 -47.2121 -47.1691 -47.1691 -21.5163 -21.5163 -21.3784 -21.3784 -13.9004 -13.9004 -13.7092 -13.7092 -13.5807 -13.5807 -13.4911 -13.4911 5.9504 5.9504 5.9568 5.9568 6.4661 6.4661 7.7385 7.7385 7.7989 7.7989 8.2390 8.2390 9.5202 9.5202 13.4302 13.4302 13.6254 13.6254 15.4507 15.4507 15.8523 15.8523 16.2469 16.2469 17.2717 17.2717 18.2538 18.2538 k = 0.3214 0.1323-0.0000 ( 2416 PWs) bands (ev): -47.2120 -47.2120 -47.1692 -47.1692 -21.5157 -21.5157 -21.3788 -21.3788 -13.8977 -13.8977 -13.7093 -13.7093 -13.5836 -13.5836 -13.4910 -13.4910 5.9558 5.9558 5.9568 5.9568 6.4999 6.4999 7.7380 7.7380 7.8049 7.8049 8.2388 8.2388 9.4176 9.4176 13.4447 13.4447 13.6565 13.6565 15.4319 15.4319 15.8249 15.8249 16.2175 16.2175 17.3287 17.3287 18.2474 18.2474 k = 0.3393 0.1396-0.0000 ( 2424 PWs) bands (ev): -47.2120 -47.2120 -47.1692 -47.1692 -21.5153 -21.5153 -21.3794 -21.3794 -13.8952 -13.8952 -13.7094 -13.7094 -13.5865 -13.5865 -13.4909 -13.4909 5.9561 5.9561 5.9611 5.9611 6.5342 6.5342 7.7375 7.7375 7.8118 7.8118 8.2387 8.2387 9.3191 9.3191 13.4586 13.4586 13.6836 13.6836 15.4138 15.4138 15.8000 15.8000 16.1908 16.1908 17.3861 17.3861 18.2413 18.2413 k = 0.3571 0.1470-0.0000 ( 2412 PWs) bands (ev): -47.2119 -47.2119 -47.1693 -47.1693 -21.5147 -21.5147 -21.3797 -21.3797 -13.8927 -13.8927 -13.7094 -13.7094 -13.5890 -13.5890 -13.4907 -13.4907 5.9558 5.9558 5.9651 5.9651 6.5682 6.5682 7.7371 7.7371 7.8198 7.8198 8.2386 8.2386 9.2256 9.2256 13.4719 13.4719 13.7069 13.7069 15.3968 15.3968 15.7777 15.7777 16.1669 16.1669 17.4427 17.4427 18.2356 18.2356 k = 0.3750 0.1543-0.0000 ( 2412 PWs) bands (ev): -47.2118 -47.2118 -47.1693 -47.1693 -21.5144 -21.5144 -21.3801 -21.3801 -13.8905 -13.8905 -13.7095 -13.7095 -13.5914 -13.5914 -13.4906 -13.4906 5.9556 5.9556 5.9683 5.9683 6.6011 6.6011 7.7367 7.7367 7.8288 7.8288 8.2385 8.2385 9.1382 9.1382 13.4841 13.4841 13.7268 13.7268 15.3811 15.3811 15.7580 15.7580 16.1457 16.1457 17.4971 17.4971 18.2304 18.2304 k = 0.3929 0.1617-0.0000 ( 2412 PWs) bands (ev): -47.2118 -47.2118 -47.1694 -47.1694 -21.5141 -21.5141 -21.3805 -21.3805 -13.8885 -13.8885 -13.7096 -13.7096 -13.5936 -13.5936 -13.4905 -13.4905 5.9553 5.9553 5.9709 5.9709 6.6321 6.6321 7.7364 7.7364 7.8385 7.8385 8.2384 8.2384 9.0579 9.0579 13.4953 13.4953 13.7434 13.7434 15.3669 15.3669 15.7408 15.7408 16.1273 16.1273 17.5481 17.5481 18.2257 18.2257 k = 0.4107 0.1690-0.0000 ( 2412 PWs) bands (ev): -47.2117 -47.2117 -47.1694 -47.1694 -21.5138 -21.5138 -21.3808 -21.3808 -13.8867 -13.8867 -13.7097 -13.7097 -13.5955 -13.5955 -13.4904 -13.4904 5.9551 5.9551 5.9729 5.9729 6.6602 6.6602 7.7360 7.7360 7.8487 7.8487 8.2383 8.2383 8.9859 8.9859 13.5051 13.5051 13.7570 13.7570 15.3544 15.3544 15.7263 15.7263 16.1117 16.1117 17.5941 17.5941 18.2216 18.2216 k = 0.4286 0.1764-0.0000 ( 2412 PWs) bands (ev): -47.2117 -47.2117 -47.1695 -47.1695 -21.5135 -21.5135 -21.3810 -21.3810 -13.8853 -13.8853 -13.7098 -13.7098 -13.5971 -13.5971 -13.4903 -13.4903 5.9550 5.9550 5.9745 5.9745 6.6847 6.6847 7.7358 7.7358 7.8589 7.8589 8.2383 8.2383 8.9238 8.9238 13.5134 13.5134 13.7678 13.7678 15.3439 15.3439 15.7144 15.7144 16.0989 16.0989 17.6340 17.6340 18.2182 18.2182 k = 0.4464 0.1837-0.0000 ( 2420 PWs) bands (ev): -47.2117 -47.2117 -47.1695 -47.1695 -21.5135 -21.5135 -21.3812 -21.3812 -13.8842 -13.8842 -13.7100 -13.7100 -13.5984 -13.5984 -13.4903 -13.4903 5.9548 5.9548 5.9756 5.9756 6.7046 6.7046 7.7356 7.7356 7.8682 7.8682 8.2382 8.2382 8.8731 8.8731 13.5200 13.5200 13.7760 13.7760 15.3356 15.3356 15.7052 15.7052 16.0889 16.0889 17.6664 17.6664 18.2156 18.2156 k = 0.4643 0.1911-0.0000 ( 2420 PWs) bands (ev): -47.2117 -47.2117 -47.1695 -47.1695 -21.5133 -21.5133 -21.3814 -21.3814 -13.8833 -13.8833 -13.7100 -13.7100 -13.5993 -13.5993 -13.4903 -13.4903 5.9547 5.9547 5.9764 5.9764 6.7194 6.7194 7.7354 7.7354 7.8758 7.8758 8.2382 8.2382 8.8354 8.8354 13.5248 13.5248 13.7818 13.7818 15.3295 15.3295 15.6985 15.6985 16.0818 16.0818 17.6904 17.6904 18.2136 18.2136 k = 0.4821 0.1984-0.0000 ( 2416 PWs) bands (ev): -47.2116 -47.2116 -47.1696 -47.1696 -21.5132 -21.5132 -21.3814 -21.3814 -13.8828 -13.8828 -13.7100 -13.7100 -13.5998 -13.5998 -13.4902 -13.4902 5.9547 5.9547 5.9769 5.9769 6.7285 6.7285 7.7353 7.7353 7.8808 7.8808 8.2382 8.2382 8.8120 8.8120 13.5277 13.5277 13.7852 13.7852 15.3258 15.3258 15.6946 15.6946 16.0775 16.0775 17.7052 17.7052 18.2125 18.2125 k = 0.5000 0.2057-0.0000 ( 2420 PWs) bands (ev): -47.2116 -47.2116 -47.1696 -47.1696 -21.5133 -21.5133 -21.3814 -21.3814 -13.8827 -13.8827 -13.7101 -13.7101 -13.6000 -13.6000 -13.4902 -13.4902 5.9547 5.9547 5.9770 5.9770 6.7316 6.7316 7.7353 7.7353 7.8826 7.8826 8.2381 8.2381 8.8041 8.8041 13.5287 13.5287 13.7863 13.7863 15.3246 15.3246 15.6932 15.6932 16.0761 16.0761 17.7101 17.7101 18.2121 18.2121 k = 0.5000 0.2057-0.0000 ( 2420 PWs) bands (ev): -47.2116 -47.2116 -47.1696 -47.1696 -21.5133 -21.5133 -21.3814 -21.3814 -13.8827 -13.8827 -13.7101 -13.7101 -13.6000 -13.6000 -13.4902 -13.4902 5.9547 5.9547 5.9770 5.9770 6.7316 6.7316 7.7353 7.7353 7.8826 7.8826 8.2381 8.2381 8.8041 8.8041 13.5287 13.5287 13.7863 13.7863 15.3246 15.3246 15.6932 15.6932 16.0761 16.0761 17.7101 17.7101 18.2121 18.2121 k = 0.4947 0.2187 0.0140 ( 2416 PWs) bands (ev): -47.2116 -47.2116 -47.1696 -47.1696 -21.5132 -21.5132 -21.3815 -21.3815 -13.8826 -13.8826 -13.7103 -13.7103 -13.5999 -13.5999 -13.4904 -13.4904 5.9549 5.9549 5.9775 5.9775 6.7326 6.7326 7.7349 7.7349 7.8824 7.8824 8.2369 8.2369 8.8084 8.8084 13.5293 13.5293 13.7871 13.7871 15.3259 15.3259 15.6934 15.6934 16.0761 16.0761 17.7021 17.7021 18.2093 18.2093 k = 0.4894 0.2316 0.0280 ( 2416 PWs) bands (ev): -47.2115 -47.2115 -47.1696 -47.1696 -21.5132 -21.5132 -21.3817 -21.3817 -13.8825 -13.8825 -13.7111 -13.7111 -13.5998 -13.5998 -13.4910 -13.4910 5.9557 5.9557 5.9789 5.9789 6.7356 6.7356 7.7337 7.7337 7.8818 7.8818 8.2331 8.2331 8.8208 8.8208 13.5312 13.5312 13.7896 13.7896 15.3299 15.3299 15.6937 15.6937 16.0763 16.0763 17.6784 17.6784 18.2009 18.2009 k = 0.4840 0.2445 0.0420 ( 2413 PWs) bands (ev): -47.2114 -47.2114 -47.1696 -47.1696 -21.5132 -21.5132 -21.3821 -21.3821 -13.8824 -13.8824 -13.7124 -13.7124 -13.5995 -13.5995 -13.4918 -13.4918 5.9568 5.9568 5.9815 5.9815 6.7406 6.7406 7.7318 7.7318 7.8809 7.8809 8.2271 8.2271 8.8413 8.8413 13.5343 13.5343 13.7937 13.7937 15.3365 15.3365 15.6939 15.6939 16.0767 16.0767 17.6401 17.6401 18.1871 18.1871 k = 0.4787 0.2575 0.0559 ( 2413 PWs) bands (ev): -47.2113 -47.2113 -47.1696 -47.1696 -21.5133 -21.5133 -21.3827 -21.3827 -13.8823 -13.8823 -13.7143 -13.7143 -13.5992 -13.5992 -13.4931 -13.4931 5.9581 5.9581 5.9852 5.9852 6.7477 6.7477 7.7291 7.7291 7.8798 7.8798 8.2194 8.2194 8.8691 8.8691 13.5385 13.5385 13.7995 13.7995 15.3456 15.3456 15.6938 15.6938 16.0778 16.0778 17.5889 17.5889 18.1681 18.1681 k = 0.4734 0.2704 0.0699 ( 2411 PWs) bands (ev): -47.2111 -47.2111 -47.1696 -47.1696 -21.5132 -21.5132 -21.3834 -21.3834 -13.8822 -13.8822 -13.7165 -13.7165 -13.5989 -13.5989 -13.4947 -13.4947 5.9595 5.9595 5.9901 5.9901 6.7570 6.7570 7.7256 7.7256 7.8787 7.8787 8.2103 8.2103 8.9036 8.9036 13.5436 13.5436 13.8071 13.8071 15.3571 15.3571 15.6927 15.6927 16.0798 16.0798 17.5269 17.5269 18.1443 18.1443 k = 0.4681 0.2833 0.0839 ( 2413 PWs) bands (ev): -47.2108 -47.2108 -47.1696 -47.1696 -21.5133 -21.5133 -21.3844 -21.3844 -13.8821 -13.8821 -13.7193 -13.7193 -13.5986 -13.5986 -13.4966 -13.4966 5.9607 5.9607 5.9962 5.9962 6.7685 6.7685 7.7215 7.7215 7.8777 7.8777 8.2003 8.2003 8.9445 8.9445 13.5497 13.5497 13.8163 13.8163 15.3707 15.3707 15.6900 15.6900 16.0833 16.0833 17.4562 17.4562 18.1160 18.1160 k = 0.4627 0.2963 0.0979 ( 2413 PWs) bands (ev): -47.2105 -47.2105 -47.1696 -47.1696 -21.5134 -21.5134 -21.3854 -21.3854 -13.8819 -13.8819 -13.7224 -13.7224 -13.5983 -13.5983 -13.4987 -13.4987 5.9619 5.9619 6.0033 6.0033 6.7823 6.7823 7.7167 7.7167 7.8769 7.8769 8.1897 8.1897 8.9909 8.9909 13.5564 13.5564 13.8273 13.8273 15.3861 15.3861 15.6850 15.6850 16.0887 16.0887 17.3792 17.3792 18.0837 18.0837 k = 0.4574 0.3092 0.1119 ( 2413 PWs) bands (ev): -47.2102 -47.2102 -47.1696 -47.1696 -21.5134 -21.5134 -21.3866 -21.3866 -13.8818 -13.8818 -13.7259 -13.7259 -13.5981 -13.5981 -13.5011 -13.5011 5.9630 5.9630 6.0111 6.0111 6.7986 6.7986 7.7114 7.7114 7.8766 7.8766 8.1788 8.1788 9.0427 9.0427 13.5637 13.5637 13.8399 13.8399 15.4030 15.4030 15.6770 15.6770 16.0966 16.0966 17.2977 17.2977 18.0476 18.0476 k = 0.4521 0.3221 0.1259 ( 2413 PWs) bands (ev): -47.2098 -47.2098 -47.1697 -47.1697 -21.5135 -21.5135 -21.3880 -21.3880 -13.8817 -13.8817 -13.7296 -13.7296 -13.5980 -13.5980 -13.5037 -13.5037 5.9640 5.9640 6.0196 6.0196 6.8174 6.8174 7.7058 7.7058 7.8768 7.8768 8.1677 8.1677 9.0992 9.0992 13.5713 13.5713 13.8542 13.8542 15.4211 15.4211 15.6651 15.6651 16.1074 16.1074 17.2137 17.2137 18.0082 18.0082 k = 0.4468 0.3351 0.1398 ( 2413 PWs) bands (ev): -47.2094 -47.2094 -47.1697 -47.1697 -21.5136 -21.5136 -21.3895 -21.3895 -13.8817 -13.8817 -13.7337 -13.7337 -13.5980 -13.5980 -13.5065 -13.5065 5.9650 5.9650 6.0283 6.0283 6.8389 6.8389 7.7000 7.7000 7.8776 7.8776 8.1566 8.1566 9.1603 9.1603 13.5791 13.5791 13.8701 13.8701 15.4396 15.4396 15.6489 15.6489 16.1212 16.1212 17.1289 17.1289 17.9659 17.9659 k = 0.4415 0.3480 0.1538 ( 2421 PWs) bands (ev): -47.2089 -47.2089 -47.1697 -47.1697 -21.5137 -21.5137 -21.3912 -21.3912 -13.8818 -13.8818 -13.7380 -13.7380 -13.5983 -13.5983 -13.5095 -13.5095 5.9660 5.9660 6.0372 6.0372 6.8631 6.8631 7.6941 7.6941 7.8790 7.8790 8.1457 8.1457 9.2256 9.2256 13.5869 13.5869 13.8875 13.8875 15.4581 15.4581 15.6280 15.6280 16.1380 16.1380 17.0450 17.0450 17.9210 17.9210 k = 0.4361 0.3609 0.1678 ( 2421 PWs) bands (ev): -47.2084 -47.2084 -47.1698 -47.1698 -21.5138 -21.5138 -21.3930 -21.3930 -13.8819 -13.8819 -13.7424 -13.7424 -13.5988 -13.5988 -13.5125 -13.5125 5.9670 5.9670 6.0460 6.0460 6.8901 6.8901 7.6883 7.6883 7.8811 7.8811 8.1350 8.1350 9.2950 9.2950 13.5946 13.5946 13.9060 13.9060 15.4756 15.4756 15.6020 15.6020 16.1577 16.1577 16.9635 16.9635 17.8739 17.8739 k = 0.4308 0.3739 0.1818 ( 2423 PWs) bands (ev): -47.2079 -47.2079 -47.1698 -47.1698 -21.5138 -21.5138 -21.3949 -21.3949 -13.8821 -13.8821 -13.7470 -13.7470 -13.5995 -13.5995 -13.5155 -13.5155 5.9679 5.9679 6.0544 6.0544 6.9198 6.9198 7.6829 7.6829 7.8839 7.8839 8.1247 8.1247 9.3681 9.3681 13.6018 13.6018 13.9255 13.9255 15.4908 15.4908 15.5714 15.5714 16.1798 16.1798 16.8861 16.8861 17.8249 17.8249 k = 0.4255 0.3868 0.1958 ( 2425 PWs) bands (ev): -47.2074 -47.2074 -47.1699 -47.1699 -21.5139 -21.5139 -21.3971 -21.3971 -13.8824 -13.8824 -13.7517 -13.7517 -13.6005 -13.6005 -13.5186 -13.5186 5.9689 5.9689 6.0624 6.0624 6.9522 6.9522 7.6779 7.6779 7.8875 7.8875 8.1147 8.1147 9.4449 9.4449 13.6085 13.6085 13.9456 13.9456 15.4997 15.4997 15.5390 15.5390 16.2035 16.2035 16.8144 16.8144 17.7743 17.7743 k = 0.4202 0.3997 0.2098 ( 2437 PWs) bands (ev): -47.2068 -47.2068 -47.1700 -47.1700 -21.5140 -21.5140 -21.3994 -21.3994 -13.8829 -13.8829 -13.7565 -13.7565 -13.6018 -13.6018 -13.5217 -13.5217 5.9698 5.9698 6.0697 6.0697 6.9871 6.9871 7.6736 7.6736 7.8920 7.8920 8.1052 8.1052 9.5252 9.5252 13.6145 13.6145 13.9658 13.9658 15.4812 15.4812 15.5248 15.5248 16.2278 16.2278 16.7503 16.7503 17.7224 17.7224 k = 0.4149 0.4127 0.2238 ( 2437 PWs) bands (ev): -47.2061 -47.2061 -47.1700 -47.1700 -21.5140 -21.5140 -21.4016 -21.4016 -13.8834 -13.8834 -13.7613 -13.7613 -13.6033 -13.6033 -13.5245 -13.5245 5.9707 5.9707 6.0763 6.0763 7.0244 7.0244 7.6702 7.6702 7.8976 7.8976 8.0963 8.0963 9.6088 9.6088 13.6194 13.6194 13.9857 13.9857 15.4375 15.4375 15.5256 15.5256 16.2516 16.2516 16.6958 16.6958 17.6695 17.6695 k = 0.4095 0.4256 0.2377 ( 2437 PWs) bands (ev): -47.2055 -47.2055 -47.1701 -47.1701 -21.5140 -21.5140 -21.4040 -21.4040 -13.8842 -13.8842 -13.7662 -13.7662 -13.6051 -13.6051 -13.5273 -13.5273 5.9716 5.9716 6.0821 6.0821 7.0637 7.0637 7.6678 7.6678 7.9043 7.9043 8.0881 8.0881 9.6955 9.6955 13.6229 13.6229 14.0048 14.0048 15.3864 15.3864 15.5228 15.5228 16.2732 16.2732 16.6530 16.6530 17.6158 17.6158 k = 0.4042 0.4385 0.2517 ( 2431 PWs) bands (ev): -47.2048 -47.2048 -47.1702 -47.1702 -21.5139 -21.5139 -21.4065 -21.4065 -13.8850 -13.8850 -13.7710 -13.7710 -13.6070 -13.6070 -13.5300 -13.5300 5.9725 5.9725 6.0870 6.0870 7.1044 7.1044 7.6665 7.6665 7.9125 7.9125 8.0807 8.0807 9.7853 9.7853 13.6247 13.6247 14.0222 14.0222 15.3309 15.3309 15.5131 15.5131 16.2910 16.2910 16.6236 16.6236 17.5618 17.5618 k = 0.3989 0.4515 0.2657 ( 2429 PWs) bands (ev): -47.2040 -47.2040 -47.1703 -47.1703 -21.5138 -21.5138 -21.4090 -21.4090 -13.8861 -13.8861 -13.7759 -13.7759 -13.6090 -13.6090 -13.5326 -13.5326 5.9734 5.9734 6.0911 6.0911 7.1460 7.1460 7.6664 7.6664 7.9225 7.9225 8.0743 8.0743 9.8780 9.8780 13.6240 13.6240 14.0372 14.0372 15.2724 15.2724 15.4952 15.4952 16.3038 16.3038 16.6085 16.6085 17.5076 17.5076 k = 0.3936 0.4644 0.2797 ( 2425 PWs) bands (ev): -47.2033 -47.2033 -47.1704 -47.1704 -21.5137 -21.5137 -21.4116 -21.4116 -13.8874 -13.8874 -13.7807 -13.7807 -13.6112 -13.6112 -13.5350 -13.5350 5.9742 5.9742 6.0942 6.0942 7.1877 7.1877 7.6677 7.6677 7.9349 7.9349 8.0690 8.0690 9.9734 9.9734 13.6203 13.6203 14.0490 14.0490 15.2126 15.2126 15.4686 15.4686 16.3116 16.3116 16.6064 16.6064 17.4535 17.4535 k = 0.3882 0.4773 0.2937 ( 2433 PWs) bands (ev): -47.2025 -47.2025 -47.1706 -47.1706 -21.5137 -21.5137 -21.4144 -21.4144 -13.8889 -13.8889 -13.7857 -13.7857 -13.6135 -13.6135 -13.5373 -13.5373 5.9750 5.9750 6.0965 6.0965 7.2285 7.2285 7.6704 7.6704 7.9501 7.9501 8.0652 8.0652 10.0713 10.0713 13.6123 13.6123 14.0569 14.0569 15.1532 15.1532 15.4337 15.4337 16.3158 16.3158 16.6143 16.6143 17.4000 17.4000 k = 0.3829 0.4903 0.3077 ( 2429 PWs) bands (ev): -47.2017 -47.2017 -47.1707 -47.1707 -21.5135 -21.5135 -21.4172 -21.4172 -13.8905 -13.8905 -13.7906 -13.7906 -13.6158 -13.6158 -13.5396 -13.5396 5.9757 5.9757 6.0980 6.0980 7.2675 7.2675 7.6744 7.6744 7.9686 7.9686 8.0635 8.0635 10.1717 10.1717 13.5986 13.5986 14.0603 14.0603 15.0964 15.0964 15.3911 15.3911 16.3177 16.3177 16.6282 16.6282 17.3472 17.3472 k = 0.3776 0.5032 0.3217 ( 2429 PWs) bands (ev): -47.2009 -47.2009 -47.1709 -47.1709 -21.5133 -21.5133 -21.4201 -21.4201 -13.8923 -13.8923 -13.7955 -13.7955 -13.6180 -13.6180 -13.5418 -13.5418 5.9764 5.9764 6.0988 6.0988 7.3035 7.3035 7.6794 7.6794 7.9901 7.9901 8.0653 8.0653 10.2744 10.2744 13.5775 13.5775 14.0588 14.0588 15.0444 15.0444 15.3421 15.3421 16.3182 16.3182 16.6443 16.6443 17.2955 17.2955 k = 0.3723 0.5161 0.3356 ( 2427 PWs) bands (ev): -47.2000 -47.2000 -47.1711 -47.1711 -21.5130 -21.5130 -21.4231 -21.4231 -13.8942 -13.8942 -13.8005 -13.8005 -13.6201 -13.6201 -13.5440 -13.5440 5.9770 5.9770 6.0989 6.0989 7.3358 7.3358 7.6851 7.6851 8.0115 8.0115 8.0750 8.0750 10.3791 10.3791 13.5467 13.5467 14.0530 14.0530 14.9992 14.9992 15.2878 15.2878 16.3175 16.3175 16.6595 16.6595 17.2453 17.2453 k = 0.3670 0.5291 0.3496 ( 2427 PWs) bands (ev): -47.1992 -47.1992 -47.1713 -47.1713 -21.5127 -21.5127 -21.4260 -21.4260 -13.8962 -13.8962 -13.8055 -13.8055 -13.6219 -13.6219 -13.5460 -13.5460 5.9776 5.9776 6.0983 6.0983 7.3639 7.3639 7.6908 7.6908 8.0264 8.0264 8.0997 8.0997 10.4857 10.4857 13.5037 13.5037 14.0441 14.0441 14.9624 14.9624 15.2295 15.2295 16.3149 16.3149 16.6714 16.6714 17.1967 17.1967 k = 0.3616 0.5420 0.3636 ( 2419 PWs) bands (ev): -47.1983 -47.1983 -47.1715 -47.1715 -21.5123 -21.5123 -21.4290 -21.4290 -13.8983 -13.8983 -13.8105 -13.8105 -13.6235 -13.6235 -13.5481 -13.5481 5.9782 5.9782 6.0973 6.0973 7.3875 7.3875 7.6962 7.6962 8.0339 8.0339 8.1409 8.1409 10.5940 10.5940 13.4466 13.4466 14.0337 14.0337 14.9345 14.9345 15.1686 15.1686 16.3099 16.3099 16.6784 16.6784 17.1500 17.1500 k = 0.3563 0.5549 0.3776 ( 2419 PWs) bands (ev): -47.1974 -47.1974 -47.1718 -47.1718 -21.5118 -21.5118 -21.4321 -21.4321 -13.9004 -13.9004 -13.8157 -13.8157 -13.6249 -13.6249 -13.5502 -13.5502 5.9787 5.9787 6.0957 6.0957 7.4069 7.4069 7.7007 7.7007 8.0382 8.0382 8.1946 8.1946 10.7038 10.7038 13.3741 13.3741 14.0236 14.0236 14.9151 14.9151 15.1063 15.1063 16.3018 16.3018 16.6794 16.6794 17.1050 17.1050 k = 0.3510 0.5679 0.3916 ( 2417 PWs) bands (ev): -47.1965 -47.1965 -47.1720 -47.1720 -21.5113 -21.5113 -21.4352 -21.4352 -13.9025 -13.9025 -13.8210 -13.8210 -13.6259 -13.6259 -13.5524 -13.5524 5.9792 5.9792 6.0939 6.0939 7.4227 7.4227 7.7041 7.7041 8.0415 8.0415 8.2578 8.2578 10.8148 10.8148 13.2862 13.2862 14.0152 14.0152 14.9028 14.9028 15.0443 15.0443 16.2901 16.2901 16.6743 16.6743 17.0617 17.0617 k = 0.3457 0.5808 0.4056 ( 2417 PWs) bands (ev): -47.1956 -47.1956 -47.1723 -47.1723 -21.5106 -21.5106 -21.4384 -21.4384 -13.9046 -13.9046 -13.8263 -13.8263 -13.6267 -13.6267 -13.5546 -13.5546 5.9796 5.9796 6.0917 6.0917 7.4354 7.4354 7.7065 7.7065 8.0447 8.0447 8.3292 8.3292 10.9268 10.9268 13.1839 13.1839 14.0091 14.0091 14.8935 14.8935 14.9862 14.9862 16.2744 16.2744 16.6634 16.6634 17.0200 17.0200 k = 0.3403 0.5937 0.4195 ( 2417 PWs) bands (ev): -47.1947 -47.1947 -47.1726 -47.1726 -21.5100 -21.5100 -21.4416 -21.4416 -13.9066 -13.9066 -13.8318 -13.8318 -13.6270 -13.6270 -13.5568 -13.5568 5.9800 5.9800 6.0893 6.0893 7.4456 7.4456 7.7078 7.7078 8.0480 8.0480 8.4075 8.4075 11.0395 11.0395 13.0687 13.0687 14.0055 14.0055 14.8735 14.8735 14.9450 14.9450 16.2548 16.2548 16.6474 16.6474 16.9795 16.9795 k = 0.3350 0.6067 0.4335 ( 2427 PWs) bands (ev): -47.1938 -47.1938 -47.1729 -47.1729 -21.5093 -21.5093 -21.4448 -21.4448 -13.9087 -13.9087 -13.8373 -13.8373 -13.6271 -13.6271 -13.5592 -13.5592 5.9803 5.9803 6.0868 6.0868 7.4539 7.4539 7.7082 7.7082 8.0516 8.0516 8.4918 8.4918 11.1527 11.1527 12.9428 12.9428 14.0043 14.0043 14.8273 14.8273 14.9358 14.9358 16.2316 16.2316 16.6272 16.6272 16.9400 16.9400 k = 0.3297 0.6196 0.4475 ( 2427 PWs) bands (ev): -47.1929 -47.1929 -47.1733 -47.1733 -21.5085 -21.5085 -21.4480 -21.4480 -13.9105 -13.9105 -13.8429 -13.8429 -13.6268 -13.6268 -13.5616 -13.5616 5.9806 5.9806 6.0842 6.0842 7.4606 7.4606 7.7080 7.7080 8.0554 8.0554 8.5813 8.5813 11.2659 11.2659 12.8079 12.8079 14.0050 14.0050 14.7697 14.7697 14.9430 14.9430 16.2051 16.2051 16.6037 16.6037 16.9013 16.9013 k = 0.3244 0.6325 0.4615 ( 2423 PWs) bands (ev): -47.1920 -47.1920 -47.1737 -47.1737 -21.5075 -21.5075 -21.4511 -21.4511 -13.9121 -13.9121 -13.8484 -13.8484 -13.6261 -13.6261 -13.5639 -13.5639 5.9809 5.9809 6.0817 6.0817 7.4661 7.4661 7.7073 7.7073 8.0593 8.0593 8.6754 8.6754 11.3787 11.3787 12.6660 12.6660 14.0074 14.0074 14.7103 14.7103 14.9566 14.9566 16.1760 16.1760 16.5776 16.5776 16.8633 16.8633 k = 0.3191 0.6455 0.4755 ( 2423 PWs) bands (ev): -47.1911 -47.1911 -47.1741 -47.1741 -21.5065 -21.5065 -21.4542 -21.4542 -13.9135 -13.9135 -13.8539 -13.8539 -13.6251 -13.6251 -13.5664 -13.5664 5.9811 5.9811 6.0792 6.0792 7.4707 7.4707 7.7063 7.7063 8.0633 8.0633 8.7733 8.7733 11.4907 11.4907 12.5186 12.5186 14.0111 14.0111 14.6515 14.6515 14.9741 14.9741 16.1450 16.1450 16.5494 16.5494 16.8259 16.8259 k = 0.3137 0.6584 0.4895 ( 2427 PWs) bands (ev): -47.1902 -47.1902 -47.1745 -47.1745 -21.5054 -21.5054 -21.4574 -21.4574 -13.9148 -13.9148 -13.8595 -13.8595 -13.6239 -13.6239 -13.5689 -13.5689 5.9813 5.9813 6.0768 6.0768 7.4745 7.4745 7.7051 7.7051 8.0673 8.0673 8.8746 8.8746 11.6010 11.6010 12.3675 12.3675 14.0161 14.0161 14.5941 14.5941 14.9942 14.9942 16.1126 16.1126 16.5196 16.5196 16.7890 16.7890 k = 0.3084 0.6713 0.5035 ( 2431 PWs) bands (ev): -47.1893 -47.1893 -47.1749 -47.1749 -21.5043 -21.5043 -21.4605 -21.4605 -13.9158 -13.9158 -13.8649 -13.8649 -13.6225 -13.6225 -13.5715 -13.5715 5.9815 5.9815 6.0746 6.0746 7.4778 7.4778 7.7038 7.7038 8.0713 8.0713 8.9787 8.9787 11.7077 11.7077 12.2151 12.2151 14.0220 14.0220 14.5384 14.5384 15.0166 15.0166 16.0795 16.0795 16.4885 16.4885 16.7528 16.7528 k = 0.3031 0.6843 0.5174 ( 2423 PWs) bands (ev): -47.1884 -47.1884 -47.1754 -47.1754 -21.5030 -21.5030 -21.4635 -21.4635 -13.9164 -13.9164 -13.8702 -13.8702 -13.6207 -13.6207 -13.5741 -13.5741 5.9818 5.9818 6.0726 6.0726 7.4806 7.4806 7.7026 7.7026 8.0752 8.0752 9.0853 9.0853 11.8037 11.8037 12.0694 12.0694 14.0288 14.0288 14.4848 14.4848 15.0407 15.0407 16.0462 16.0462 16.4565 16.4565 16.7174 16.7174 k = 0.2978 0.6972 0.5314 ( 2425 PWs) bands (ev): -47.1875 -47.1875 -47.1759 -47.1759 -21.5016 -21.5016 -21.4665 -21.4665 -13.9169 -13.9169 -13.8754 -13.8754 -13.6188 -13.6188 -13.5768 -13.5768 5.9820 5.9820 6.0709 6.0709 7.4831 7.4831 7.7016 7.7016 8.0789 8.0789 9.1939 9.1939 11.8253 11.8253 11.9940 11.9940 14.0364 14.0364 14.4333 14.4333 15.0665 15.0665 16.0133 16.0133 16.4238 16.4238 16.6829 16.6829 k = 0.2925 0.7101 0.5454 ( 2429 PWs) bands (ev): -47.1867 -47.1867 -47.1764 -47.1764 -21.5002 -21.5002 -21.4695 -21.4695 -13.9171 -13.9171 -13.8804 -13.8804 -13.6167 -13.6167 -13.5794 -13.5794 5.9822 5.9822 6.0694 6.0694 7.4853 7.4853 7.7007 7.7007 8.0824 8.0824 9.3039 9.3039 11.7008 11.7008 12.0611 12.0611 14.0449 14.0449 14.3841 14.3841 15.0936 15.0936 15.9811 15.9811 16.3907 16.3907 16.6496 16.6496 k = 0.2871 0.7231 0.5594 ( 2433 PWs) bands (ev): -47.1858 -47.1858 -47.1770 -47.1770 -21.4987 -21.4987 -21.4724 -21.4724 -13.9171 -13.9171 -13.8851 -13.8851 -13.6146 -13.6146 -13.5821 -13.5821 5.9824 5.9824 6.0683 6.0683 7.4872 7.4872 7.7002 7.7002 8.0856 8.0856 9.4150 9.4150 11.5462 11.5462 12.1550 12.1550 14.0542 14.0542 14.3374 14.3374 15.1220 15.1220 15.9499 15.9499 16.3575 16.3575 16.6176 16.6176 k = 0.2818 0.7360 0.5734 ( 2435 PWs) bands (ev): -47.1850 -47.1850 -47.1775 -47.1775 -21.4969 -21.4969 -21.4753 -21.4753 -13.9167 -13.9167 -13.8897 -13.8897 -13.6124 -13.6124 -13.5847 -13.5847 5.9826 5.9826 6.0675 6.0675 7.4889 7.4889 7.6999 7.6999 8.0885 8.0885 9.5265 9.5265 11.3874 11.3874 12.2498 12.2498 14.0644 14.0644 14.2930 14.2930 15.1515 15.1515 15.9201 15.9201 16.3244 16.3244 16.5871 16.5871 k = 0.2765 0.7489 0.5874 ( 2435 PWs) bands (ev): -47.1841 -47.1841 -47.1781 -47.1781 -21.4951 -21.4951 -21.4781 -21.4781 -13.9163 -13.9163 -13.8937 -13.8937 -13.6103 -13.6103 -13.5870 -13.5870 5.9829 5.9829 6.0671 6.0671 7.4904 7.4904 7.7000 7.7000 8.0909 8.0909 9.6375 9.6375 11.2284 11.2284 12.3419 12.3419 14.0756 14.0756 14.2513 14.2513 15.1821 15.1821 15.8918 15.8918 16.2917 16.2917 16.5584 16.5584 k = 0.2712 0.7619 0.6013 ( 2435 PWs) bands (ev): -47.1833 -47.1833 -47.1788 -47.1788 -21.4932 -21.4932 -21.4808 -21.4808 -13.9158 -13.9158 -13.8971 -13.8971 -13.6085 -13.6085 -13.5891 -13.5891 5.9832 5.9832 6.0671 6.0671 7.4919 7.4919 7.7004 7.7004 8.0930 8.0930 9.7468 9.7468 11.0716 11.0716 12.4297 12.4297 14.0879 14.0879 14.2121 14.2121 15.2136 15.2136 15.8653 15.8653 16.2598 16.2598 16.5316 16.5316 k = 0.2712 0.7619 0.6013 ( 2435 PWs) bands (ev): -47.1833 -47.1833 -47.1788 -47.1788 -21.4932 -21.4932 -21.4808 -21.4808 -13.9158 -13.9158 -13.8971 -13.8971 -13.6085 -13.6085 -13.5891 -13.5891 5.9832 5.9832 6.0671 6.0671 7.4919 7.4919 7.7004 7.7004 8.0930 8.0930 9.7468 9.7468 11.0716 11.0716 12.4297 12.4297 14.0879 14.0879 14.2121 14.2121 15.2136 15.2136 15.8653 15.8653 16.2598 16.2598 16.5316 16.5316 k = 0.2531 0.7584 0.6051 ( 2436 PWs) bands (ev): -47.1831 -47.1831 -47.1789 -47.1789 -21.4927 -21.4927 -21.4815 -21.4815 -13.9157 -13.9157 -13.8979 -13.8979 -13.6081 -13.6081 -13.5895 -13.5895 5.9833 5.9833 6.0672 6.0672 7.4922 7.4922 7.7007 7.7007 8.0935 8.0935 9.7752 9.7752 11.0292 11.0292 12.4543 12.4543 14.0857 14.0857 14.2069 14.2069 15.2238 15.2238 15.8583 15.8583 16.2501 16.2501 16.5245 16.5245 k = 0.2350 0.7550 0.6088 ( 2434 PWs) bands (ev): -47.1829 -47.1829 -47.1791 -47.1791 -21.4923 -21.4923 -21.4821 -21.4821 -13.9157 -13.9157 -13.8986 -13.8986 -13.6077 -13.6077 -13.5899 -13.5899 5.9834 5.9834 6.0675 6.0675 7.4926 7.4926 7.7010 7.7010 8.0941 8.0941 9.8030 9.8030 10.9850 10.9850 12.4823 12.4823 14.0729 14.0729 14.2114 14.2114 15.2371 15.2371 15.8512 15.8512 16.2375 16.2375 16.5170 16.5170 k = 0.2169 0.7516 0.6125 ( 2434 PWs) bands (ev): -47.1827 -47.1827 -47.1792 -47.1792 -21.4919 -21.4919 -21.4826 -21.4826 -13.9157 -13.9157 -13.8992 -13.8992 -13.6074 -13.6074 -13.5902 -13.5902 5.9834 5.9834 6.0678 6.0678 7.4930 7.4930 7.7015 7.7015 8.0946 8.0946 9.8303 9.8303 10.9395 10.9395 12.5127 12.5127 14.0531 14.0531 14.2220 14.2220 15.2535 15.2535 15.8441 15.8441 16.2221 16.2221 16.5093 16.5093 k = 0.1989 0.7481 0.6162 ( 2445 PWs) bands (ev): -47.1826 -47.1826 -47.1794 -47.1794 -21.4917 -21.4917 -21.4832 -21.4832 -13.9158 -13.9158 -13.8998 -13.8998 -13.6072 -13.6072 -13.5905 -13.5905 5.9834 5.9834 6.0682 6.0682 7.4933 7.4933 7.7020 7.7020 8.0952 8.0952 9.8573 9.8573 10.8935 10.8935 12.5447 12.5447 14.0298 14.0298 14.2351 14.2351 15.2727 15.2727 15.8371 15.8371 16.2041 16.2041 16.5017 16.5017 k = 0.1808 0.7447 0.6199 ( 2447 PWs) bands (ev): -47.1824 -47.1824 -47.1795 -47.1795 -21.4914 -21.4914 -21.4837 -21.4837 -13.9159 -13.9159 -13.9003 -13.9003 -13.6069 -13.6069 -13.5908 -13.5908 5.9835 5.9835 6.0687 6.0687 7.4937 7.4937 7.7025 7.7025 8.0957 8.0957 9.8839 9.8839 10.8475 10.8475 12.5774 12.5774 14.0056 14.0056 14.2485 14.2485 15.2943 15.2943 15.8307 15.8307 16.1835 16.1835 16.4945 16.4945 k = 0.1627 0.7413 0.6236 ( 2443 PWs) bands (ev): -47.1822 -47.1822 -47.1797 -47.1797 -21.4912 -21.4912 -21.4840 -21.4840 -13.9159 -13.9159 -13.9007 -13.9007 -13.6067 -13.6067 -13.5910 -13.5910 5.9835 5.9835 6.0692 6.0692 7.4941 7.4941 7.7032 7.7032 8.0963 8.0963 9.9100 9.9100 10.8022 10.8022 12.6099 12.6099 13.9817 13.9817 14.2613 14.2613 15.3181 15.3181 15.8249 15.8249 16.1606 16.1606 16.4876 16.4876 k = 0.1446 0.7378 0.6273 ( 2442 PWs) bands (ev): -47.1821 -47.1821 -47.1798 -47.1798 -21.4910 -21.4910 -21.4842 -21.4842 -13.9159 -13.9159 -13.9011 -13.9011 -13.6065 -13.6065 -13.5911 -13.5911 5.9835 5.9835 6.0697 6.0697 7.4944 7.4944 7.7038 7.7038 8.0969 8.0969 9.9356 9.9356 10.7582 10.7582 12.6416 12.6416 13.9589 13.9589 14.2726 14.2726 15.3435 15.3435 15.8202 15.8202 16.1355 16.1355 16.4813 16.4813 k = 0.1265 0.7344 0.6310 ( 2442 PWs) bands (ev): -47.1820 -47.1820 -47.1799 -47.1799 -21.4909 -21.4909 -21.4844 -21.4844 -13.9160 -13.9160 -13.9015 -13.9015 -13.6063 -13.6063 -13.5913 -13.5913 5.9835 5.9835 6.0702 6.0702 7.4948 7.4948 7.7044 7.7044 8.0974 8.0974 9.9606 9.9606 10.7160 10.7160 12.6715 12.6715 13.9379 13.9379 14.2823 14.2823 15.3699 15.3699 15.8169 15.8169 16.1086 16.1086 16.4757 16.4757 k = 0.1085 0.7310 0.6347 ( 2444 PWs) bands (ev): -47.1819 -47.1819 -47.1800 -47.1800 -21.4909 -21.4909 -21.4846 -21.4846 -13.9161 -13.9161 -13.9018 -13.9018 -13.6062 -13.6062 -13.5914 -13.5914 5.9835 5.9835 6.0707 6.0707 7.4951 7.4951 7.7050 7.7050 8.0979 8.0979 9.9846 9.9846 10.6764 10.6764 12.6991 12.6991 13.9190 13.9190 14.2903 14.2903 15.3966 15.3966 15.8154 15.8154 16.0802 16.0802 16.4708 16.4708 k = 0.0904 0.7276 0.6384 ( 2441 PWs) bands (ev): -47.1817 -47.1817 -47.1801 -47.1801 -21.4908 -21.4908 -21.4846 -21.4846 -13.9161 -13.9161 -13.9020 -13.9020 -13.6060 -13.6060 -13.5915 -13.5915 5.9834 5.9834 6.0712 6.0712 7.4953 7.4953 7.7055 7.7055 8.0983 8.0983 10.0071 10.0071 10.6402 10.6402 12.7237 12.7237 13.9025 13.9025 14.2967 14.2967 15.4226 15.4226 15.8162 15.8162 16.0510 16.0510 16.4666 16.4666 k = 0.0723 0.7241 0.6421 ( 2441 PWs) bands (ev): -47.1816 -47.1816 -47.1801 -47.1801 -21.4908 -21.4908 -21.4847 -21.4847 -13.9162 -13.9162 -13.9022 -13.9022 -13.6059 -13.6059 -13.5915 -13.5915 5.9834 5.9834 6.0716 6.0716 7.4956 7.4956 7.7059 7.7059 8.0987 8.0987 10.0276 10.0276 10.6081 10.6081 12.7447 12.7447 13.8887 13.8887 14.3015 14.3015 15.4465 15.4465 15.8195 15.8195 16.0217 16.0217 16.4632 16.4632 k = 0.0542 0.7207 0.6458 ( 2436 PWs) bands (ev): -47.1816 -47.1816 -47.1802 -47.1802 -21.4908 -21.4908 -21.4846 -21.4846 -13.9162 -13.9162 -13.9023 -13.9023 -13.6058 -13.6058 -13.5915 -13.5915 5.9834 5.9834 6.0719 6.0719 7.4957 7.4957 7.7063 7.7063 8.0990 8.0990 10.0451 10.0451 10.5813 10.5813 12.7616 12.7616 13.8778 13.8778 14.3049 14.3049 15.4672 15.4672 15.8257 15.8257 15.9935 15.9935 16.4605 16.4605 k = 0.0362 0.7173 0.6496 ( 2436 PWs) bands (ev): -47.1815 -47.1815 -47.1802 -47.1802 -21.4908 -21.4908 -21.4847 -21.4847 -13.9162 -13.9162 -13.9025 -13.9025 -13.6057 -13.6057 -13.5916 -13.5916 5.9834 5.9834 6.0721 6.0721 7.4959 7.4959 7.7066 7.7066 8.0992 8.0992 10.0588 10.0588 10.5609 10.5609 12.7739 12.7739 13.8700 13.8700 14.3072 14.3072 15.4832 15.4832 15.8341 15.8341 15.9682 15.9682 16.4586 16.4586 k = 0.0181 0.7138 0.6533 ( 2444 PWs) bands (ev): -47.1815 -47.1815 -47.1803 -47.1803 -21.4909 -21.4909 -21.4848 -21.4848 -13.9163 -13.9163 -13.9026 -13.9026 -13.6057 -13.6057 -13.5917 -13.5917 5.9834 5.9834 6.0723 6.0723 7.4960 7.4960 7.7067 7.7067 8.0994 8.0994 10.0676 10.0676 10.5480 10.5480 12.7815 12.7815 13.8652 13.8652 14.3085 14.3085 15.4933 15.4933 15.8425 15.8425 15.9491 15.9491 16.4575 16.4575 k = 0.0000 0.7104 0.6570 ( 2440 PWs) bands (ev): -47.1815 -47.1815 -47.1803 -47.1803 -21.4909 -21.4909 -21.4847 -21.4847 -13.9163 -13.9163 -13.9026 -13.9026 -13.6056 -13.6056 -13.5917 -13.5917 5.9834 5.9834 6.0723 6.0723 7.4960 7.4960 7.7068 7.7068 8.0994 8.0994 10.0706 10.0706 10.5436 10.5436 12.7840 12.7840 13.8636 13.8636 14.3089 14.3089 15.4967 15.4967 15.8464 15.8464 15.9416 15.9416 16.4571 16.4571 k = 0.0000 0.7104 0.6570 ( 2440 PWs) bands (ev): -47.1815 -47.1815 -47.1803 -47.1803 -21.4909 -21.4909 -21.4847 -21.4847 -13.9163 -13.9163 -13.9026 -13.9026 -13.6056 -13.6056 -13.5917 -13.5917 5.9834 5.9834 6.0723 6.0723 7.4960 7.4960 7.7068 7.7068 8.0994 8.0994 10.0706 10.0706 10.5436 10.5436 12.7840 12.7840 13.8636 13.8636 14.3089 14.3089 15.4967 15.4967 15.8464 15.8464 15.9416 15.9416 16.4571 16.4571 k = 0.0053 0.6975 0.6709 ( 2444 PWs) bands (ev): -47.1815 -47.1815 -47.1803 -47.1803 -21.4909 -21.4909 -21.4848 -21.4848 -13.9167 -13.9167 -13.9022 -13.9022 -13.6063 -13.6063 -13.5915 -13.5915 5.9838 5.9838 6.0724 6.0724 7.4964 7.4964 7.7065 7.7065 8.0990 8.0990 10.0707 10.0707 10.5464 10.5464 12.7852 12.7852 13.8628 13.8628 14.3071 14.3071 15.4962 15.4962 15.8340 15.8340 15.9545 15.9545 16.4598 16.4598 k = 0.0106 0.6846 0.6849 ( 2438 PWs) bands (ev): -47.1814 -47.1814 -47.1802 -47.1802 -21.4910 -21.4910 -21.4849 -21.4849 -13.9178 -13.9178 -13.9009 -13.9009 -13.6081 -13.6081 -13.5908 -13.5908 5.9852 5.9852 6.0726 6.0726 7.4977 7.4977 7.7055 7.7055 8.0976 8.0976 10.0710 10.0710 10.5547 10.5547 12.7890 12.7890 13.8602 13.8602 14.3019 14.3019 15.4945 15.4945 15.8077 15.8077 15.9828 15.9828 16.4678 16.4678 k = 0.0160 0.6716 0.6989 ( 2438 PWs) bands (ev): -47.1814 -47.1814 -47.1802 -47.1802 -21.4911 -21.4911 -21.4851 -21.4851 -13.9195 -13.9195 -13.8990 -13.8990 -13.6109 -13.6109 -13.5900 -13.5900 5.9875 5.9875 6.0729 6.0729 7.5000 7.5000 7.7038 7.7038 8.0954 8.0954 10.0714 10.0714 10.5684 10.5684 12.7951 12.7951 13.8560 13.8560 14.2931 14.2931 15.4913 15.4913 15.7782 15.7782 16.0162 16.0162 16.4811 16.4811 k = 0.0213 0.6587 0.7129 ( 2434 PWs) bands (ev): -47.1813 -47.1813 -47.1801 -47.1801 -21.4914 -21.4914 -21.4853 -21.4853 -13.9213 -13.9213 -13.8968 -13.8968 -13.6144 -13.6144 -13.5894 -13.5894 5.9906 5.9906 6.0734 6.0734 7.5031 7.5031 7.7015 7.7015 8.0923 8.0923 10.0721 10.0721 10.5875 10.5875 12.8036 12.8036 13.8498 13.8498 14.2812 14.2812 15.4861 15.4861 15.7497 15.7497 16.0514 16.0514 16.4996 16.4996 k = 0.0266 0.6458 0.7269 ( 2436 PWs) bands (ev): -47.1812 -47.1812 -47.1800 -47.1800 -21.4918 -21.4918 -21.4857 -21.4857 -13.9233 -13.9233 -13.8945 -13.8945 -13.6184 -13.6184 -13.5890 -13.5890 5.9945 5.9945 6.0740 6.0740 7.5072 7.5072 7.6986 7.6986 8.0884 8.0884 10.0731 10.0731 10.6117 10.6117 12.8144 12.8144 13.8417 13.8417 14.2661 14.2661 15.4781 15.4781 15.7245 15.7245 16.0870 16.0870 16.5230 16.5230 k = 0.0319 0.6329 0.7408 ( 2442 PWs) bands (ev): -47.1811 -47.1811 -47.1799 -47.1799 -21.4923 -21.4923 -21.4862 -21.4862 -13.9254 -13.9254 -13.8920 -13.8920 -13.6230 -13.6230 -13.5889 -13.5889 5.9991 5.9991 6.0747 6.0747 7.5124 7.5124 7.6952 7.6952 8.0838 8.0838 10.0745 10.0745 10.6410 10.6410 12.8273 12.8273 13.8314 13.8314 14.2483 14.2483 15.4664 15.4664 15.7046 15.7046 16.1229 16.1229 16.5512 16.5512 k = 0.0372 0.6199 0.7548 ( 2444 PWs) bands (ev): -47.1810 -47.1810 -47.1798 -47.1798 -21.4928 -21.4928 -21.4866 -21.4866 -13.9275 -13.9275 -13.8895 -13.8895 -13.6280 -13.6280 -13.5891 -13.5891 6.0042 6.0042 6.0754 6.0754 7.5186 7.5186 7.6913 7.6913 8.0786 8.0786 10.0763 10.0763 10.6751 10.6751 12.8424 12.8424 13.8188 13.8188 14.2280 14.2280 15.4502 15.4502 15.6915 15.6915 16.1586 16.1586 16.5840 16.5840 k = 0.0426 0.6070 0.7688 ( 2440 PWs) bands (ev): -47.1808 -47.1808 -47.1796 -47.1796 -21.4933 -21.4933 -21.4872 -21.4872 -13.9296 -13.9296 -13.8868 -13.8868 -13.6333 -13.6333 -13.5896 -13.5896 6.0098 6.0098 6.0763 6.0763 7.5260 7.5260 7.6869 7.6869 8.0727 8.0727 10.0787 10.0787 10.7138 10.7138 12.8593 12.8593 13.8037 13.8037 14.2055 14.2055 15.4292 15.4292 15.6861 15.6861 16.1942 16.1942 16.6211 16.6211 k = 0.0479 0.5941 0.7828 ( 2440 PWs) bands (ev): -47.1806 -47.1806 -47.1794 -47.1794 -21.4939 -21.4939 -21.4878 -21.4878 -13.9316 -13.9316 -13.8840 -13.8840 -13.6390 -13.6390 -13.5905 -13.5905 6.0158 6.0158 6.0773 6.0773 7.5344 7.5344 7.6823 7.6823 8.0664 8.0664 10.0816 10.0816 10.7569 10.7569 12.8780 12.8780 13.7861 13.7861 14.1812 14.1812 15.4040 15.4040 15.6885 15.6885 16.2297 16.2297 16.6624 16.6624 k = 0.0532 0.5812 0.7967 ( 2438 PWs) bands (ev): -47.1805 -47.1805 -47.1792 -47.1792 -21.4946 -21.4946 -21.4885 -21.4885 -13.9337 -13.9337 -13.8813 -13.8813 -13.6450 -13.6450 -13.5916 -13.5916 6.0219 6.0219 6.0783 6.0783 7.5439 7.5439 7.6776 7.6776 8.0596 8.0596 10.0853 10.0853 10.8042 10.8042 12.8981 12.8981 13.7658 13.7658 14.1553 14.1553 15.3756 15.3756 15.6982 15.6982 16.2652 16.2652 16.7076 16.7076 k = 0.0585 0.5682 0.8107 ( 2444 PWs) bands (ev): -47.1803 -47.1803 -47.1790 -47.1790 -21.4955 -21.4955 -21.4893 -21.4893 -13.9357 -13.9357 -13.8785 -13.8785 -13.6515 -13.6515 -13.5931 -13.5931 6.0280 6.0280 6.0793 6.0793 7.5542 7.5542 7.6733 7.6733 8.0526 8.0526 10.0896 10.0896 10.8553 10.8553 12.9195 12.9195 13.7430 13.7430 14.1282 14.1282 15.3452 15.3452 15.7144 15.7144 16.3009 16.3009 16.7566 16.7566 k = 0.0638 0.5553 0.8247 ( 2446 PWs) bands (ev): -47.1800 -47.1800 -47.1788 -47.1788 -21.4963 -21.4963 -21.4901 -21.4901 -13.9377 -13.9377 -13.8757 -13.8757 -13.6581 -13.6581 -13.5949 -13.5949 6.0339 6.0339 6.0805 6.0805 7.5647 7.5647 7.6698 7.6698 8.0453 8.0453 10.0948 10.0948 10.9100 10.9100 12.9420 12.9420 13.7176 13.7176 14.1002 14.1002 15.3136 15.3136 15.7366 15.7366 16.3368 16.3368 16.8091 16.8091 k = 0.0691 0.5424 0.8387 ( 2448 PWs) bands (ev): -47.1798 -47.1798 -47.1786 -47.1786 -21.4972 -21.4972 -21.4910 -21.4910 -13.9397 -13.9397 -13.8729 -13.8729 -13.6651 -13.6651 -13.5970 -13.5970 6.0396 6.0396 6.0817 6.0817 7.5747 7.5747 7.6684 7.6684 8.0378 8.0378 10.1009 10.1009 10.9680 10.9680 12.9651 12.9651 13.6898 13.6898 14.0717 14.0717 15.2815 15.2815 15.7645 15.7645 16.3734 16.3734 16.8650 16.8650 k = 0.0745 0.5294 0.8527 ( 2446 PWs) bands (ev): -47.1796 -47.1796 -47.1783 -47.1783 -21.4982 -21.4982 -21.4919 -21.4919 -13.9416 -13.9416 -13.8701 -13.8701 -13.6722 -13.6722 -13.5993 -13.5993 6.0448 6.0448 6.0830 6.0830 7.5825 7.5825 7.6706 7.6706 8.0302 8.0302 10.1079 10.1079 11.0290 11.0290 12.9886 12.9886 13.6599 13.6599 14.0429 14.0429 15.2495 15.2495 15.7976 15.7976 16.4109 16.4109 16.9241 16.9241 k = 0.0798 0.5165 0.8666 ( 2444 PWs) bands (ev): -47.1793 -47.1793 -47.1781 -47.1781 -21.4991 -21.4991 -21.4928 -21.4928 -13.9434 -13.9434 -13.8673 -13.8673 -13.6795 -13.6795 -13.6018 -13.6018 6.0493 6.0493 6.0844 6.0844 7.5865 7.5865 7.6782 7.6782 8.0226 8.0226 10.1160 10.1160 11.0926 11.0926 13.0121 13.0121 13.6280 13.6280 14.0142 14.0142 15.2178 15.2178 15.8357 15.8357 16.4496 16.4496 16.9861 16.9861 k = 0.0851 0.5036 0.8806 ( 2442 PWs) bands (ev): -47.1790 -47.1790 -47.1778 -47.1778 -21.5002 -21.5002 -21.4938 -21.4938 -13.9452 -13.9452 -13.8646 -13.8646 -13.6869 -13.6869 -13.6046 -13.6046 6.0531 6.0531 6.0858 6.0858 7.5861 7.5861 7.6919 7.6919 8.0150 8.0150 10.1253 10.1253 11.1585 11.1585 13.0352 13.0352 13.5946 13.5946 13.9859 13.9859 15.1869 15.1869 15.8784 15.8784 16.4900 16.4900 17.0510 17.0510 k = 0.0904 0.4907 0.8946 ( 2448 PWs) bands (ev): -47.1787 -47.1787 -47.1775 -47.1775 -21.5013 -21.5013 -21.4949 -21.4949 -13.9471 -13.9471 -13.8619 -13.8619 -13.6945 -13.6945 -13.6076 -13.6076 6.0561 6.0561 6.0874 6.0874 7.5820 7.5820 7.7109 7.7109 8.0076 8.0076 10.1359 10.1359 11.2263 11.2263 13.0574 13.0574 13.5601 13.5601 13.9584 13.9584 15.1567 15.1567 15.9255 15.9255 16.5324 16.5324 17.1185 17.1185 k = 0.0957 0.4777 0.9086 ( 2446 PWs) bands (ev): -47.1784 -47.1784 -47.1772 -47.1772 -21.5024 -21.5024 -21.4959 -21.4959 -13.9488 -13.9488 -13.8593 -13.8593 -13.7021 -13.7021 -13.6108 -13.6108 6.0582 6.0582 6.0889 6.0889 7.5755 7.5755 7.7340 7.7340 8.0003 8.0003 10.1478 10.1478 11.2955 11.2955 13.0783 13.0783 13.5248 13.5248 13.9321 13.9321 15.1275 15.1275 15.9766 15.9766 16.5774 16.5774 17.1884 17.1884 k = 0.1011 0.4648 0.9225 ( 2448 PWs) bands (ev): -47.1781 -47.1781 -47.1769 -47.1769 -21.5035 -21.5035 -21.4971 -21.4971 -13.9505 -13.9505 -13.8568 -13.8568 -13.7097 -13.7097 -13.6142 -13.6142 6.0595 6.0595 6.0903 6.0903 7.5675 7.5675 7.7604 7.7604 7.9933 7.9933 10.1613 10.1613 11.3656 11.3656 13.0974 13.0974 13.4894 13.4894 13.9074 13.9074 15.0994 15.0994 16.0314 16.0314 16.6253 16.6253 17.2606 17.2606 k = 0.1064 0.4519 0.9365 ( 2452 PWs) bands (ev): -47.1778 -47.1778 -47.1766 -47.1766 -21.5047 -21.5047 -21.4983 -21.4983 -13.9521 -13.9521 -13.8545 -13.8545 -13.7174 -13.7174 -13.6177 -13.6177 6.0600 6.0600 6.0915 6.0915 7.5583 7.5583 7.7893 7.7893 7.9866 7.9866 10.1764 10.1764 11.4361 11.4361 13.1138 13.1138 13.4544 13.4544 13.8848 13.8848 15.0724 15.0724 16.0894 16.0894 16.6766 16.6766 17.3348 17.3348 k = 0.1117 0.4390 0.9505 ( 2448 PWs) bands (ev): -47.1775 -47.1775 -47.1763 -47.1763 -21.5059 -21.5059 -21.4993 -21.4993 -13.9536 -13.9536 -13.8523 -13.8523 -13.7248 -13.7248 -13.6213 -13.6213 6.0598 6.0598 6.0924 6.0924 7.5485 7.5485 7.8202 7.8202 7.9805 7.9805 10.1933 10.1933 11.5064 11.5064 13.1268 13.1268 13.4207 13.4207 13.8649 13.8649 15.0464 15.0464 16.1502 16.1502 16.7316 16.7316 17.4108 17.4108 k = 0.1170 0.4260 0.9645 ( 2444 PWs) bands (ev): -47.1772 -47.1772 -47.1759 -47.1759 -21.5071 -21.5071 -21.5004 -21.5004 -13.9550 -13.9550 -13.8503 -13.8503 -13.7321 -13.7321 -13.6251 -13.6251 6.0589 6.0589 6.0930 6.0930 7.5382 7.5382 7.8524 7.8524 7.9753 7.9753 10.2121 10.2121 11.5759 11.5759 13.1354 13.1354 13.3892 13.3892 13.8481 13.8481 15.0215 15.0215 16.2133 16.2133 16.7909 16.7909 17.4886 17.4886 k = 0.1223 0.4131 0.9785 ( 2448 PWs) bands (ev): -47.1769 -47.1769 -47.1756 -47.1756 -21.5084 -21.5084 -21.5016 -21.5016 -13.9564 -13.9564 -13.8487 -13.8487 -13.7391 -13.7391 -13.6290 -13.6290 6.0575 6.0575 6.0933 6.0933 7.5276 7.5276 7.8845 7.8845 7.9719 7.9719 10.2331 10.2331 11.6440 11.6440 13.1383 13.1383 13.3612 13.3612 13.8351 13.8351 14.9976 14.9976 16.2782 16.2782 16.8545 16.8545 17.5677 17.5677 k = 0.1277 0.4002 0.9924 ( 2444 PWs) bands (ev): -47.1766 -47.1766 -47.1753 -47.1753 -21.5095 -21.5095 -21.5028 -21.5028 -13.9577 -13.9577 -13.8474 -13.8474 -13.7456 -13.7456 -13.6329 -13.6329 6.0555 6.0555 6.0931 6.0931 7.5168 7.5168 7.9130 7.9130 7.9738 7.9738 10.2562 10.2562 11.7099 11.7099 13.1343 13.1343 13.3378 13.3378 13.8265 13.8265 14.9748 14.9748 16.3442 16.3442 16.9230 16.9230 17.6480 17.6480 k = 0.1330 0.3873 1.0064 ( 2442 PWs) bands (ev): -47.1762 -47.1762 -47.1750 -47.1750 -21.5107 -21.5107 -21.5040 -21.5040 -13.9589 -13.9589 -13.8467 -13.8467 -13.7517 -13.7517 -13.6369 -13.6369 6.0530 6.0530 6.0927 6.0927 7.5060 7.5060 7.9294 7.9294 7.9891 7.9891 10.2817 10.2817 11.7728 11.7728 13.1228 13.1228 13.3195 13.3195 13.8229 13.8229 14.9528 14.9528 16.4106 16.4106 16.9963 16.9963 17.7288 17.7288 k = 0.1383 0.3743 1.0204 ( 2444 PWs) bands (ev): -47.1759 -47.1759 -47.1747 -47.1747 -21.5120 -21.5120 -21.5051 -21.5051 -13.9600 -13.9600 -13.8466 -13.8466 -13.7571 -13.7571 -13.6410 -13.6410 6.0500 6.0500 6.0919 6.0919 7.4951 7.4951 7.9325 7.9325 8.0186 8.0186 10.3097 10.3097 11.8322 11.8322 13.1044 13.1044 13.3058 13.3058 13.8250 13.8250 14.9318 14.9318 16.4768 16.4768 17.0746 17.0746 17.8077 17.8077 k = 0.1436 0.3614 1.0344 ( 2444 PWs) bands (ev): -47.1756 -47.1756 -47.1743 -47.1743 -21.5132 -21.5132 -21.5063 -21.5063 -13.9610 -13.9610 -13.8472 -13.8472 -13.7617 -13.7617 -13.6451 -13.6451 6.0466 6.0466 6.0908 6.0908 7.4844 7.4844 7.9303 7.9303 8.0540 8.0540 10.3404 10.3404 11.8873 11.8873 13.0807 13.0807 13.2950 13.2950 13.8333 13.8333 14.9116 14.9116 16.5419 16.5419 17.1580 17.1580 17.8167 17.8167 k = 0.1489 0.3485 1.0484 ( 2446 PWs) bands (ev): -47.1753 -47.1753 -47.1740 -47.1740 -21.5144 -21.5144 -21.5074 -21.5074 -13.9619 -13.9619 -13.8487 -13.8487 -13.7654 -13.7654 -13.6492 -13.6492 6.0428 6.0428 6.0896 6.0896 7.4738 7.4738 7.9265 7.9265 8.0913 8.0913 10.3739 10.3739 11.9376 11.9376 13.0536 13.0536 13.2852 13.2852 13.8484 13.8484 14.8922 14.8922 16.6050 16.6050 17.2461 17.2461 17.7248 17.7248 k = 0.1543 0.3355 1.0623 ( 2436 PWs) bands (ev): -47.1750 -47.1750 -47.1737 -47.1737 -21.5154 -21.5154 -21.5084 -21.5084 -13.9625 -13.9625 -13.8509 -13.8509 -13.7680 -13.7680 -13.6533 -13.6533 6.0386 6.0386 6.0881 6.0881 7.4634 7.4634 7.9221 7.9221 8.1291 8.1291 10.4101 10.4101 11.9826 11.9826 13.0244 13.0244 13.2749 13.2749 13.8705 13.8705 14.8736 14.8736 16.6653 16.6653 17.3383 17.3383 17.6264 17.6264 k = 0.1596 0.3226 1.0763 ( 2444 PWs) bands (ev): -47.1747 -47.1747 -47.1734 -47.1734 -21.5166 -21.5166 -21.5097 -21.5097 -13.9631 -13.9631 -13.8541 -13.8541 -13.7699 -13.7699 -13.6575 -13.6575 6.0342 6.0342 6.0866 6.0866 7.4533 7.4533 7.9177 7.9177 8.1667 8.1667 10.4493 10.4493 12.0219 12.0219 12.9944 12.9944 13.2631 13.2631 13.8997 13.8997 14.8557 14.8557 16.7217 16.7217 17.4289 17.4289 17.5324 17.5324 k = 0.1649 0.3097 1.0903 ( 2446 PWs) bands (ev): -47.1744 -47.1744 -47.1731 -47.1731 -21.5178 -21.5178 -21.5107 -21.5107 -13.9636 -13.9636 -13.8580 -13.8580 -13.7707 -13.7707 -13.6616 -13.6616 6.0296 6.0296 6.0849 6.0849 7.4435 7.4435 7.9132 7.9132 8.2035 8.2035 10.4913 10.4913 12.0556 12.0556 12.9641 12.9641 13.2491 13.2491 13.9359 13.9359 14.8386 14.8386 16.7734 16.7734 17.4103 17.4103 17.5515 17.5515 k = 0.1702 0.2968 1.1043 ( 2446 PWs) bands (ev): -47.1742 -47.1742 -47.1729 -47.1729 -21.5188 -21.5188 -21.5117 -21.5117 -13.9639 -13.9639 -13.8625 -13.8625 -13.7707 -13.7707 -13.6657 -13.6657 6.0248 6.0248 6.0831 6.0831 7.4341 7.4341 7.9089 7.9089 8.2393 8.2393 10.5362 10.5362 12.0836 12.0836 12.9341 12.9341 13.2327 13.2327 13.9787 13.9787 14.8222 14.8222 16.8195 16.8195 17.3136 17.3136 17.6536 17.6536 k = 0.1755 0.2838 1.1182 ( 2444 PWs) bands (ev): -47.1739 -47.1739 -47.1726 -47.1726 -21.5198 -21.5198 -21.5127 -21.5127 -13.9639 -13.9639 -13.8675 -13.8675 -13.7701 -13.7701 -13.6697 -13.6697 6.0199 6.0199 6.0814 6.0814 7.4252 7.4252 7.9048 7.9048 8.2737 8.2737 10.5837 10.5837 12.1062 12.1062 12.9047 12.9047 13.2137 13.2137 14.0273 14.0273 14.8067 14.8067 16.8591 16.8591 17.2151 17.2151 17.7626 17.7626 k = 0.1809 0.2709 1.1322 ( 2442 PWs) bands (ev): -47.1736 -47.1736 -47.1723 -47.1723 -21.5207 -21.5207 -21.5136 -21.5136 -13.9638 -13.9638 -13.8729 -13.8729 -13.7689 -13.7689 -13.6737 -13.6737 6.0151 6.0151 6.0796 6.0796 7.4166 7.4166 7.9008 7.9008 8.3064 8.3064 10.6337 10.6337 12.1237 12.1237 12.8760 12.8760 13.1922 13.1922 14.0811 14.0811 14.7921 14.7921 16.8916 16.8916 17.1191 17.1191 17.8751 17.8751 k = 0.1862 0.2580 1.1462 ( 2442 PWs) bands (ev): -47.1734 -47.1734 -47.1721 -47.1721 -21.5217 -21.5217 -21.5145 -21.5145 -13.9635 -13.9635 -13.8784 -13.8784 -13.7673 -13.7673 -13.6777 -13.6777 6.0103 6.0103 6.0778 6.0778 7.4086 7.4086 7.8971 7.8971 8.3373 8.3373 10.6858 10.6858 12.1367 12.1367 12.8483 12.8483 13.1684 13.1684 14.1388 14.1388 14.7783 14.7783 16.9161 16.9161 17.0274 17.0274 17.9896 17.9896 k = 0.1915 0.2451 1.1602 ( 2440 PWs) bands (ev): -47.1732 -47.1732 -47.1719 -47.1719 -21.5225 -21.5225 -21.5153 -21.5153 -13.9630 -13.9630 -13.8841 -13.8841 -13.7654 -13.7654 -13.6816 -13.6816 6.0057 6.0057 6.0761 6.0761 7.4011 7.4011 7.8936 7.8936 8.3660 8.3660 10.7397 10.7397 12.1457 12.1457 12.8215 12.8215 13.1427 13.1427 14.1994 14.1994 14.7656 14.7656 16.9212 16.9212 16.9521 16.9521 18.1049 18.1049 k = 0.1968 0.2321 1.1742 ( 2440 PWs) bands (ev): -47.1730 -47.1730 -47.1717 -47.1717 -21.5233 -21.5233 -21.5161 -21.5161 -13.9623 -13.9623 -13.8898 -13.8898 -13.7632 -13.7632 -13.6854 -13.6854 6.0012 6.0012 6.0745 6.0745 7.3942 7.3942 7.8904 7.8904 8.3925 8.3925 10.7948 10.7948 12.1511 12.1511 12.7958 12.7958 13.1154 13.1154 14.2616 14.2616 14.7540 14.7540 16.8514 16.8514 16.9501 16.9501 18.2197 18.2197 k = 0.2021 0.2192 1.1881 ( 2440 PWs) bands (ev): -47.1728 -47.1728 -47.1715 -47.1715 -21.5241 -21.5241 -21.5167 -21.5167 -13.9614 -13.9614 -13.8954 -13.8954 -13.7609 -13.7609 -13.6891 -13.6891 5.9970 5.9970 6.0729 6.0729 7.3879 7.3879 7.8874 7.8874 8.4167 8.4167 10.8504 10.8504 12.1535 12.1535 12.7712 12.7712 13.0874 13.0874 14.3238 14.3238 14.7436 14.7436 16.7757 16.7757 16.9534 16.9534 18.3325 18.3325 k = 0.2074 0.2063 1.2021 ( 2440 PWs) bands (ev): -47.1726 -47.1726 -47.1713 -47.1713 -21.5248 -21.5248 -21.5173 -21.5173 -13.9602 -13.9602 -13.9009 -13.9009 -13.7584 -13.7584 -13.6927 -13.6927 5.9931 5.9931 6.0714 6.0714 7.3821 7.3821 7.8847 7.8847 8.4384 8.4384 10.9057 10.9057 12.1534 12.1534 12.7477 12.7477 13.0592 13.0592 14.3848 14.3848 14.7346 14.7346 16.7059 16.7059 16.9517 16.9517 18.4412 18.4412 k = 0.2128 0.1934 1.2161 ( 2442 PWs) bands (ev): -47.1724 -47.1724 -47.1712 -47.1712 -21.5255 -21.5255 -21.5179 -21.5179 -13.9588 -13.9588 -13.9062 -13.9062 -13.7559 -13.7559 -13.6963 -13.6963 5.9895 5.9895 6.0701 6.0701 7.3770 7.3770 7.8824 7.8824 8.4576 8.4576 10.9598 10.9598 12.1512 12.1512 12.7254 12.7254 13.0317 13.0317 14.4428 14.4428 14.7273 14.7273 16.6431 16.6431 16.9454 16.9454 18.5440 18.5440 k = 0.2181 0.1804 1.2301 ( 2444 PWs) bands (ev): -47.1723 -47.1723 -47.1710 -47.1710 -21.5260 -21.5260 -21.5184 -21.5184 -13.9572 -13.9572 -13.9114 -13.9114 -13.7534 -13.7534 -13.6996 -13.6996 5.9863 5.9863 6.0689 6.0689 7.3726 7.3726 7.8803 7.8803 8.4743 8.4743 11.0113 11.0113 12.1475 12.1475 12.7046 12.7046 13.0059 13.0059 14.4961 14.4961 14.7219 14.7219 16.5878 16.5878 16.9357 16.9357 18.6383 18.6383 k = 0.2234 0.1675 1.2440 ( 2446 PWs) bands (ev): -47.1722 -47.1722 -47.1709 -47.1709 -21.5265 -21.5265 -21.5188 -21.5188 -13.9554 -13.9554 -13.9162 -13.9162 -13.7510 -13.7510 -13.7027 -13.7027 5.9836 5.9836 6.0679 6.0679 7.3688 7.3688 7.8785 7.8785 8.4884 8.4884 11.0590 11.0590 12.1426 12.1426 12.6855 12.6855 12.9825 12.9825 14.5428 14.5428 14.7190 14.7190 16.5405 16.5405 16.9240 16.9240 18.7219 18.7219 k = 0.2287 0.1546 1.2580 ( 2448 PWs) bands (ev): -47.1721 -47.1721 -47.1708 -47.1708 -21.5269 -21.5269 -21.5192 -21.5192 -13.9534 -13.9534 -13.9207 -13.9207 -13.7487 -13.7487 -13.7055 -13.7055 5.9813 5.9813 6.0671 6.0671 7.3656 7.3656 7.8770 7.8770 8.5000 8.5000 11.1014 11.1014 12.1373 12.1373 12.6687 12.6687 12.9624 12.9624 14.5807 14.5807 14.7192 14.7192 16.5015 16.5015 16.9117 16.9117 18.7925 18.7925 k = 0.2340 0.1417 1.2720 ( 2446 PWs) bands (ev): -47.1720 -47.1720 -47.1707 -47.1707 -21.5271 -21.5271 -21.5195 -21.5195 -13.9513 -13.9513 -13.9248 -13.9248 -13.7466 -13.7466 -13.7080 -13.7080 5.9795 5.9795 6.0664 6.0664 7.3632 7.3632 7.8759 7.8759 8.5089 8.5089 11.1367 11.1367 12.1321 12.1321 12.6546 12.6546 12.9461 12.9461 14.6083 14.6083 14.7230 14.7230 16.4709 16.4709 16.9004 16.9004 18.8486 18.8486 k = 0.2394 0.1287 1.2860 ( 2446 PWs) bands (ev): -47.1720 -47.1720 -47.1707 -47.1707 -21.5273 -21.5273 -21.5197 -21.5197 -13.9492 -13.9492 -13.9283 -13.9283 -13.7450 -13.7450 -13.7099 -13.7099 5.9782 5.9782 6.0659 6.0659 7.3614 7.3614 7.8750 7.8750 8.5154 8.5154 11.1634 11.1634 12.1276 12.1276 12.6439 12.6439 12.9342 12.9342 14.6255 14.6255 14.7292 14.7292 16.4489 16.4489 16.8913 16.8913 18.8891 18.8891 k = 0.2447 0.1158 1.3000 ( 2450 PWs) bands (ev): -47.1719 -47.1719 -47.1707 -47.1707 -21.5275 -21.5275 -21.5199 -21.5199 -13.9476 -13.9476 -13.9308 -13.9308 -13.7439 -13.7439 -13.7112 -13.7112 5.9774 5.9774 6.0656 6.0656 7.3604 7.3604 7.8745 7.8745 8.5192 8.5192 11.1800 11.1800 12.1246 12.1246 12.6373 12.6373 12.9270 12.9270 14.6341 14.6341 14.7349 14.7349 16.4357 16.4357 16.8853 16.8853 18.9136 18.9136 k = 0.2500 0.1029 1.3139 ( 2444 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5274 -21.5274 -21.5199 -21.5199 -13.9469 -13.9469 -13.9317 -13.9317 -13.7435 -13.7435 -13.7115 -13.7115 5.9771 5.9771 6.0655 6.0655 7.3600 7.3600 7.8744 7.8744 8.5205 8.5205 11.1857 11.1857 12.1236 12.1236 12.6350 12.6350 12.9245 12.9245 14.6367 14.6367 14.7372 14.7372 16.4313 16.4313 16.8833 16.8833 18.9218 18.9218 k = 0.2500 0.1029 1.3139 ( 2444 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5274 -21.5274 -21.5199 -21.5199 -13.9469 -13.9469 -13.9317 -13.9317 -13.7435 -13.7435 -13.7115 -13.7115 5.9771 5.9771 6.0655 6.0655 7.3600 7.3600 7.8744 7.8744 8.5205 8.5205 11.1857 11.1857 12.1236 12.1236 12.6350 12.6350 12.9245 12.9245 14.6367 14.6367 14.7372 14.7372 16.4313 16.4313 16.8833 16.8833 18.9218 18.9218 k = 0.2667 0.1097 1.3065 ( 2450 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5275 -21.5275 -21.5199 -21.5199 -13.9470 -13.9470 -13.9316 -13.9316 -13.7435 -13.7435 -13.7116 -13.7116 5.9771 5.9771 6.0655 6.0655 7.3601 7.3601 7.8744 7.8744 8.5203 8.5203 11.1849 11.1849 12.1239 12.1239 12.6339 12.6339 12.9275 12.9275 14.6113 14.6113 14.7617 14.7617 16.4094 16.4094 16.9110 16.9110 18.9090 18.9090 k = 0.2833 0.1166 1.2991 ( 2448 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5275 -21.5275 -21.5199 -21.5199 -13.9473 -13.9473 -13.9313 -13.9313 -13.7436 -13.7436 -13.7115 -13.7115 5.9771 5.9771 6.0657 6.0657 7.3602 7.3602 7.8746 7.8746 8.5198 8.5198 11.1827 11.1827 12.1248 12.1248 12.6305 12.6305 12.9361 12.9361 14.5628 14.5628 14.8074 14.8074 16.3563 16.3563 16.9820 16.9820 18.8747 18.8747 k = 0.3000 0.1234 1.2917 ( 2446 PWs) bands (ev): -47.1719 -47.1719 -47.1707 -47.1707 -21.5274 -21.5274 -21.5198 -21.5198 -13.9476 -13.9476 -13.9307 -13.9307 -13.7437 -13.7437 -13.7112 -13.7112 5.9771 5.9771 6.0659 6.0659 7.3604 7.3604 7.8748 7.8748 8.5190 8.5190 11.1793 11.1793 12.1262 12.1262 12.6252 12.6252 12.9493 12.9493 14.5087 14.5087 14.8568 14.8568 16.2906 16.2906 17.0775 17.0775 18.8273 18.8273 k = 0.3167 0.1303 1.2843 ( 2441 PWs) bands (ev): -47.1719 -47.1719 -47.1707 -47.1707 -21.5273 -21.5273 -21.5198 -21.5198 -13.9481 -13.9481 -13.9299 -13.9299 -13.7439 -13.7439 -13.7109 -13.7109 5.9771 5.9771 6.0663 6.0663 7.3606 7.3606 7.8751 7.8751 8.5179 8.5179 11.1749 11.1749 12.1280 12.1280 12.6188 12.6188 12.9655 12.9655 14.4531 14.4531 14.9061 14.9061 16.2234 16.2234 17.1869 17.1869 18.7736 18.7736 k = 0.3333 0.1372 1.2769 ( 2443 PWs) bands (ev): -47.1719 -47.1719 -47.1707 -47.1707 -21.5273 -21.5273 -21.5197 -21.5197 -13.9487 -13.9487 -13.9290 -13.9290 -13.7442 -13.7442 -13.7106 -13.7106 5.9771 5.9771 6.0667 6.0667 7.3610 7.3610 7.8755 7.8755 8.5164 8.5164 11.1696 11.1696 12.1303 12.1303 12.6120 12.6120 12.9833 12.9833 14.3977 14.3977 14.9536 14.9536 16.1601 16.1601 17.3047 17.3047 18.7179 18.7179 k = 0.3500 0.1440 1.2694 ( 2440 PWs) bands (ev): -47.1719 -47.1719 -47.1707 -47.1707 -21.5271 -21.5271 -21.5197 -21.5197 -13.9492 -13.9492 -13.9279 -13.9279 -13.7445 -13.7445 -13.7101 -13.7101 5.9772 5.9772 6.0672 6.0672 7.3615 7.3615 7.8760 7.8760 8.5146 8.5146 11.1636 11.1636 12.1330 12.1330 12.6055 12.6055 13.0011 13.0011 14.3435 14.3435 14.9986 14.9986 16.1033 16.1033 17.4281 17.4281 18.6630 18.6630 k = 0.3667 0.1509 1.2620 ( 2438 PWs) bands (ev): -47.1719 -47.1719 -47.1708 -47.1708 -21.5269 -21.5269 -21.5197 -21.5197 -13.9499 -13.9499 -13.9268 -13.9268 -13.7448 -13.7448 -13.7096 -13.7096 5.9774 5.9774 6.0678 6.0678 7.3621 7.3621 7.8766 7.8766 8.5125 8.5125 11.1568 11.1568 12.1361 12.1361 12.5997 12.5997 13.0176 13.0176 14.2915 14.2915 15.0403 15.0403 16.0547 16.0547 17.5549 17.5549 18.6108 18.6108 k = 0.3833 0.1577 1.2546 ( 2435 PWs) bands (ev): -47.1719 -47.1719 -47.1708 -47.1708 -21.5268 -21.5268 -21.5196 -21.5196 -13.9505 -13.9505 -13.9255 -13.9255 -13.7452 -13.7452 -13.7090 -13.7090 5.9776 5.9776 6.0684 6.0684 7.3628 7.3628 7.8772 7.8772 8.5100 8.5100 11.1494 11.1494 12.1395 12.1395 12.5950 12.5950 13.0316 13.0316 14.2426 14.2426 15.0781 15.0781 16.0152 16.0152 17.6834 17.6834 18.5629 18.5629 k = 0.4000 0.1646 1.2472 ( 2434 PWs) bands (ev): -47.1719 -47.1719 -47.1709 -47.1709 -21.5266 -21.5266 -21.5196 -21.5196 -13.9512 -13.9512 -13.9242 -13.9242 -13.7457 -13.7457 -13.7084 -13.7084 5.9779 5.9779 6.0690 6.0690 7.3636 7.3636 7.8778 7.8778 8.5072 8.5072 11.1413 11.1413 12.1432 12.1432 12.5917 12.5917 13.0420 13.0420 14.1979 14.1979 15.1114 15.1114 15.9853 15.9853 17.8115 17.8115 18.5209 18.5209 k = 0.4167 0.1715 1.2398 ( 2432 PWs) bands (ev): -47.1719 -47.1719 -47.1709 -47.1709 -21.5264 -21.5264 -21.5195 -21.5195 -13.9519 -13.9519 -13.9227 -13.9227 -13.7462 -13.7462 -13.7077 -13.7077 5.9784 5.9784 6.0697 6.0697 7.3645 7.3645 7.8785 7.8785 8.5041 8.5041 11.1325 11.1325 12.1472 12.1472 12.5899 12.5899 13.0481 13.0481 14.1582 14.1582 15.1396 15.1396 15.9653 15.9653 17.9362 17.9362 18.4864 18.4864 k = 0.4333 0.1783 1.2324 ( 2433 PWs) bands (ev): -47.1719 -47.1719 -47.1710 -47.1710 -21.5261 -21.5261 -21.5196 -21.5196 -13.9526 -13.9526 -13.9212 -13.9212 -13.7468 -13.7468 -13.7070 -13.7070 5.9789 5.9789 6.0703 6.0703 7.3656 7.3656 7.8792 7.8792 8.5006 8.5006 11.1228 11.1228 12.1514 12.1514 12.5896 12.5896 13.0496 13.0496 14.1243 14.1243 15.1624 15.1624 15.9553 15.9553 18.0523 18.0523 18.4626 18.4626 k = 0.4500 0.1852 1.2249 ( 2433 PWs) bands (ev): -47.1719 -47.1719 -47.1711 -47.1711 -21.5259 -21.5259 -21.5196 -21.5196 -13.9533 -13.9533 -13.9196 -13.9196 -13.7475 -13.7475 -13.7061 -13.7061 5.9797 5.9797 6.0709 6.0709 7.3669 7.3669 7.8799 7.8799 8.4967 8.4967 11.1123 11.1123 12.1556 12.1556 12.5910 12.5910 13.0464 13.0464 14.0965 14.0965 15.1793 15.1793 15.9551 15.9551 18.1504 18.1504 18.4546 18.4546 k = 0.4667 0.1920 1.2175 ( 2439 PWs) bands (ev): -47.1719 -47.1719 -47.1712 -47.1712 -21.5256 -21.5256 -21.5197 -21.5197 -13.9540 -13.9540 -13.9180 -13.9180 -13.7482 -13.7482 -13.7053 -13.7053 5.9805 5.9805 6.0715 6.0715 7.3682 7.3682 7.8807 7.8807 8.4925 8.4925 11.1006 11.1006 12.1598 12.1598 12.5940 12.5940 13.0391 13.0391 14.0752 14.0752 15.1901 15.1901 15.9645 15.9645 18.2168 18.2168 18.4689 18.4689 k = 0.4833 0.1989 1.2101 ( 2444 PWs) bands (ev): -47.1719 -47.1719 -47.1713 -47.1713 -21.5254 -21.5254 -21.5197 -21.5197 -13.9547 -13.9547 -13.9162 -13.9162 -13.7490 -13.7490 -13.7044 -13.7044 5.9816 5.9816 6.0720 6.0720 7.3697 7.3697 7.8814 7.8814 8.4879 8.4879 11.0875 11.0875 12.1638 12.1638 12.5986 12.5986 13.0285 13.0285 14.0602 14.0602 15.1947 15.1947 15.9831 15.9831 18.2462 18.2462 18.4976 18.4976 k = 0.5000 0.2057 1.2027 ( 2446 PWs) bands (ev): -47.1719 -47.1719 -47.1714 -47.1714 -21.5251 -21.5251 -21.5197 -21.5197 -13.9554 -13.9554 -13.9144 -13.9144 -13.7498 -13.7498 -13.7034 -13.7034 5.9827 5.9827 6.0725 6.0725 7.3713 7.3713 7.8821 7.8821 8.4830 8.4830 11.0730 11.0730 12.1676 12.1676 12.6046 12.6046 13.0159 13.0159 14.0512 14.0512 15.1930 15.1930 16.0105 16.0105 18.2503 18.2503 18.5107 18.5107 k = 0.5000 0.2057 1.2027 ( 2446 PWs) bands (ev): -47.1719 -47.1719 -47.1714 -47.1714 -21.5251 -21.5251 -21.5197 -21.5197 -13.9554 -13.9554 -13.9144 -13.9144 -13.7498 -13.7498 -13.7034 -13.7034 5.9827 5.9827 6.0725 6.0725 7.3713 7.3713 7.8821 7.8821 8.4830 8.4830 11.0730 11.0730 12.1676 12.1676 12.6046 12.6046 13.0159 13.0159 14.0512 14.0512 15.1930 15.1930 16.0105 16.0105 18.2503 18.2503 18.5107 18.5107 k = 0.5000 0.2057 1.1830 ( 2450 PWs) bands (ev): -47.1719 -47.1719 -47.1716 -47.1716 -21.5241 -21.5241 -21.5198 -21.5198 -13.9570 -13.9570 -13.9094 -13.9094 -13.7522 -13.7522 -13.7006 -13.7006 5.9864 5.9864 6.0739 6.0739 7.3762 7.3762 7.8841 7.8841 8.4685 8.4685 11.0280 11.0280 12.1776 12.1776 12.6237 12.6237 12.9817 12.9817 14.0336 14.0336 15.1792 15.1792 16.0972 16.0972 18.2366 18.2366 18.5012 18.5012 k = 0.5000 0.2057 1.1633 ( 2446 PWs) bands (ev): -47.1720 -47.1720 -47.1719 -47.1719 -21.5228 -21.5228 -21.5198 -21.5198 -13.9582 -13.9582 -13.9040 -13.9040 -13.7545 -13.7545 -13.6975 -13.6975 5.9905 5.9905 6.0754 6.0754 7.3818 7.3818 7.8863 7.8863 8.4519 8.4519 10.9746 10.9746 12.1884 12.1884 12.6447 12.6447 12.9515 12.9515 14.0144 14.0144 15.1634 15.1634 16.1870 16.1870 18.2197 18.2197 18.4928 18.4928 k = 0.5000 0.2057 1.1435 ( 2442 PWs) bands (ev): -47.1723 -47.1723 -47.1718 -47.1718 -21.5216 -21.5216 -21.5197 -21.5197 -13.9592 -13.9592 -13.8983 -13.8983 -13.7569 -13.7569 -13.6942 -13.6942 5.9951 5.9951 6.0772 6.0772 7.3882 7.3882 7.8887 7.8887 8.4335 8.4335 10.9128 10.9128 12.1996 12.1996 12.6665 12.6665 12.9278 12.9278 13.9941 13.9941 15.1455 15.1455 16.2767 16.2767 18.1990 18.1990 18.4869 18.4869 k = 0.5000 0.2057 1.1238 ( 2444 PWs) bands (ev): -47.1727 -47.1727 -47.1718 -47.1718 -21.5203 -21.5203 -21.5196 -21.5196 -13.9600 -13.9600 -13.8925 -13.8925 -13.7594 -13.7594 -13.6909 -13.6909 6.0001 6.0001 6.0790 6.0790 7.3953 7.3953 7.8913 7.8913 8.4134 8.4134 10.8428 10.8428 12.2107 12.2107 12.6877 12.6877 12.9134 12.9134 13.9732 13.9732 15.1257 15.1257 16.3626 16.3626 18.1737 18.1737 18.4846 18.4846 k = 0.5000 0.2057 1.1041 ( 2440 PWs) bands (ev): -47.1732 -47.1732 -47.1718 -47.1718 -21.5196 -21.5196 -21.5186 -21.5186 -13.9604 -13.9604 -13.8864 -13.8864 -13.7619 -13.7619 -13.6875 -13.6875 6.0055 6.0055 6.0811 6.0811 7.4031 7.4031 7.8940 7.8940 8.3917 8.3917 10.7650 10.7650 12.2211 12.2211 12.7070 12.7070 12.9107 12.9107 13.9525 13.9525 15.1040 15.1040 16.4417 16.4417 18.1429 18.1429 18.4854 18.4854 k = 0.5000 0.2057 1.0844 ( 2444 PWs) bands (ev): -47.1737 -47.1737 -47.1717 -47.1717 -21.5196 -21.5196 -21.5170 -21.5170 -13.9606 -13.9606 -13.8801 -13.8801 -13.7644 -13.7644 -13.6840 -13.6840 6.0112 6.0112 6.0832 6.0832 7.4116 7.4116 7.8967 7.8967 8.3687 8.3687 10.6799 10.6799 12.2302 12.2302 12.7234 12.7234 12.9209 12.9209 13.9326 13.9326 15.0806 15.0806 16.5109 16.5109 18.1062 18.1062 18.4853 18.4853 k = 0.5000 0.2057 1.0647 ( 2444 PWs) bands (ev): -47.1742 -47.1742 -47.1717 -47.1717 -21.5195 -21.5195 -21.5151 -21.5151 -13.9605 -13.9605 -13.8736 -13.8736 -13.7668 -13.7668 -13.6803 -13.6803 6.0171 6.0171 6.0855 6.0855 7.4207 7.4207 7.8994 7.8994 8.3445 8.3445 10.5882 10.5882 12.2372 12.2372 12.7378 12.7378 12.9433 12.9433 13.9143 13.9143 15.0556 15.0556 16.5680 16.5680 18.0636 18.0636 18.4697 18.4697 k = 0.5000 0.2057 1.0450 ( 2446 PWs) bands (ev): -47.1747 -47.1747 -47.1717 -47.1717 -21.5195 -21.5195 -21.5132 -21.5132 -13.9600 -13.9600 -13.8669 -13.8669 -13.7692 -13.7692 -13.6767 -13.6767 6.0233 6.0233 6.0878 6.0878 7.4305 7.4305 7.9021 7.9021 8.3193 8.3193 10.4909 10.4909 12.2412 12.2412 12.7525 12.7525 12.9756 12.9756 13.8985 13.8985 15.0291 15.0291 16.6114 16.6114 18.0152 18.0152 18.4202 18.4202 k = 0.5000 0.2057 1.0252 ( 2442 PWs) bands (ev): -47.1753 -47.1753 -47.1716 -47.1716 -21.5194 -21.5194 -21.5110 -21.5110 -13.9593 -13.9593 -13.8601 -13.8601 -13.7715 -13.7715 -13.6729 -13.6729 6.0296 6.0296 6.0902 6.0902 7.4409 7.4409 7.9046 7.9046 8.2933 8.2933 10.3888 10.3888 12.2412 12.2412 12.7697 12.7697 13.0154 13.0154 13.8858 13.8858 15.0012 15.0012 16.6402 16.6402 17.9614 17.9614 18.3459 18.3459 k = 0.5000 0.2057 1.0055 ( 2458 PWs) bands (ev): -47.1760 -47.1760 -47.1716 -47.1716 -21.5195 -21.5195 -21.5090 -21.5090 -13.9584 -13.9584 -13.8533 -13.8533 -13.7738 -13.7738 -13.6692 -13.6692 6.0361 6.0361 6.0926 6.0926 7.4519 7.4519 7.9068 7.9068 8.2667 8.2667 10.2827 10.2827 12.2364 12.2364 12.7912 12.7912 13.0609 13.0609 13.8771 13.8771 14.9721 14.9721 16.6546 16.6546 17.9029 17.9029 18.2629 18.2629 k = 0.5000 0.2057 0.9858 ( 2454 PWs) bands (ev): -47.1767 -47.1767 -47.1716 -47.1716 -21.5194 -21.5194 -21.5066 -21.5066 -13.9572 -13.9572 -13.8462 -13.8462 -13.7758 -13.7758 -13.6653 -13.6653 6.0425 6.0425 6.0951 6.0951 7.4635 7.4635 7.9088 7.9088 8.2396 8.2396 10.1735 10.1735 12.2258 12.2258 12.8177 12.8177 13.1106 13.1106 13.8732 13.8732 14.9420 14.9420 16.6555 16.6555 17.8402 17.8402 18.1785 18.1785 k = 0.5000 0.2057 0.9661 ( 2456 PWs) bands (ev): -47.1774 -47.1774 -47.1715 -47.1715 -21.5194 -21.5194 -21.5042 -21.5042 -13.9557 -13.9557 -13.8393 -13.8393 -13.7777 -13.7777 -13.6614 -13.6614 6.0490 6.0490 6.0975 6.0975 7.4756 7.4756 7.9104 7.9104 8.2123 8.2123 10.0620 10.0620 12.2090 12.2090 12.8498 12.8498 13.1638 13.1638 13.8744 13.8744 14.9110 14.9110 16.6441 16.6441 17.7743 17.7743 18.0951 18.0951 k = 0.5000 0.2057 0.9464 ( 2452 PWs) bands (ev): -47.1781 -47.1781 -47.1715 -47.1715 -21.5193 -21.5193 -21.5016 -21.5016 -13.9539 -13.9539 -13.8323 -13.8323 -13.7793 -13.7793 -13.6575 -13.6575 6.0553 6.0553 6.1000 6.1000 7.4882 7.4882 7.9115 7.9115 8.1849 8.1849 9.9488 9.9488 12.1853 12.1853 12.8874 12.8874 13.2197 13.2197 13.8815 13.8815 14.8794 14.8794 16.6221 16.6221 17.7061 17.7061 18.0140 18.0140 k = 0.5000 0.2057 0.9267 ( 2452 PWs) bands (ev): -47.1789 -47.1789 -47.1714 -47.1714 -21.5192 -21.5192 -21.4989 -21.4989 -13.9518 -13.9518 -13.8257 -13.8257 -13.7803 -13.7803 -13.6535 -13.6535 6.0615 6.0615 6.1023 6.1023 7.5012 7.5012 7.9121 7.9121 8.1577 8.1577 9.8346 9.8346 12.1547 12.1547 12.9305 12.9305 13.2779 13.2779 13.8945 13.8945 14.8473 14.8473 16.5910 16.5910 17.6362 17.6362 17.9357 17.9357 k = 0.5000 0.2057 0.9069 ( 2448 PWs) bands (ev): -47.1796 -47.1796 -47.1714 -47.1714 -21.5191 -21.5191 -21.4960 -21.4960 -13.9496 -13.9496 -13.8196 -13.8196 -13.7807 -13.7807 -13.6495 -13.6495 6.0674 6.0674 6.1046 6.1046 7.5147 7.5147 7.9119 7.9119 8.1307 8.1307 9.7200 9.7200 12.1172 12.1172 12.9787 12.9787 13.3380 13.3380 13.9136 13.9136 14.8150 14.8150 16.5525 16.5525 17.5656 17.5656 17.8605 17.8605 k = 0.5000 0.2057 0.8872 ( 2448 PWs) bands (ev): -47.1804 -47.1804 -47.1713 -47.1713 -21.5191 -21.5191 -21.4931 -21.4931 -13.9471 -13.9471 -13.8146 -13.8146 -13.7798 -13.7798 -13.6455 -13.6455 6.0731 6.0731 6.1068 6.1068 7.5286 7.5286 7.9108 7.9108 8.1044 8.1044 9.6054 9.6054 12.0728 12.0728 13.0316 13.0316 13.3996 13.3996 13.9386 13.9386 14.7827 14.7827 16.5082 16.5082 17.4947 17.4947 17.7886 17.7886 k = 0.5000 0.2057 0.8675 ( 2452 PWs) bands (ev): -47.1813 -47.1813 -47.1713 -47.1713 -21.5190 -21.5190 -21.4902 -21.4902 -13.9444 -13.9444 -13.8109 -13.8109 -13.7775 -13.7775 -13.6415 -13.6415 6.0784 6.0784 6.1089 6.1089 7.5429 7.5429 7.9086 7.9086 8.0789 8.0789 9.4914 9.4914 12.0219 12.0219 13.0890 13.0890 13.4623 13.4623 13.9695 13.9695 14.7510 14.7510 16.4594 16.4594 17.4241 17.4241 17.7205 17.7205 k = 0.5000 0.2057 0.8478 ( 2456 PWs) bands (ev): -47.1822 -47.1822 -47.1712 -47.1712 -21.5189 -21.5189 -21.4873 -21.4873 -13.9415 -13.9415 -13.8089 -13.8089 -13.7733 -13.7733 -13.6375 -13.6375 6.0834 6.0834 6.1108 6.1108 7.5575 7.5575 7.9050 7.9050 8.0547 8.0547 9.3783 9.3783 11.9648 11.9648 13.1502 13.1502 13.5259 13.5259 14.0056 14.0056 14.7201 14.7201 16.4076 16.4076 17.3538 17.3538 17.6565 17.6565 k = 0.5000 0.2057 0.8281 ( 2456 PWs) bands (ev): -47.1830 -47.1830 -47.1712 -47.1712 -21.5188 -21.5188 -21.4842 -21.4842 -13.9384 -13.9384 -13.8082 -13.8082 -13.7677 -13.7677 -13.6335 -13.6335 6.0880 6.0880 6.1125 6.1125 7.5724 7.5724 7.8997 7.8997 8.0320 8.0320 9.2666 9.2666 11.9021 11.9021 13.2150 13.2150 13.5898 13.5898 14.0466 14.0466 14.6907 14.6907 16.3539 16.3539 17.2840 17.2840 17.5972 17.5972 k = 0.5000 0.2057 0.8084 ( 2452 PWs) bands (ev): -47.1839 -47.1839 -47.1711 -47.1711 -21.5187 -21.5187 -21.4809 -21.4809 -13.9350 -13.9350 -13.8083 -13.8083 -13.7609 -13.7609 -13.6295 -13.6295 6.0921 6.0921 6.1140 6.1140 7.5875 7.5875 7.8922 7.8922 8.0113 8.0113 9.1565 9.1565 11.8342 11.8342 13.2829 13.2829 13.6535 13.6535 14.0917 14.0917 14.6635 14.6635 16.2996 16.2996 17.2144 17.2144 17.5431 17.5431 k = 0.5000 0.2057 0.7887 ( 2452 PWs) bands (ev): -47.1848 -47.1848 -47.1711 -47.1711 -21.5186 -21.5186 -21.4777 -21.4777 -13.9316 -13.9316 -13.8089 -13.8089 -13.7535 -13.7535 -13.6256 -13.6256 6.0957 6.0957 6.1153 6.1153 7.6027 7.6027 7.8822 7.8822 7.9930 7.9930 9.0485 9.0485 11.7615 11.7615 13.3532 13.3532 13.7165 13.7165 14.1401 14.1401 14.6395 14.6395 16.2458 16.2458 17.1449 17.1449 17.4947 17.4947 k = 0.5000 0.2057 0.7689 ( 2456 PWs) bands (ev): -47.1858 -47.1858 -47.1710 -47.1710 -21.5185 -21.5185 -21.4745 -21.4745 -13.9280 -13.9280 -13.8099 -13.8099 -13.7458 -13.7458 -13.6217 -13.6217 6.0988 6.0988 6.1163 6.1163 7.6180 7.6180 7.8696 7.8696 7.9773 7.9773 8.9428 8.9428 11.6846 11.6846 13.4255 13.4255 13.7777 13.7777 14.1907 14.1907 14.6204 14.6204 16.1936 16.1936 17.0754 17.0754 17.4523 17.4523 k = 0.5000 0.2057 0.7492 ( 2446 PWs) bands (ev): -47.1867 -47.1867 -47.1709 -47.1709 -21.5183 -21.5183 -21.4710 -21.4710 -13.9242 -13.9242 -13.8108 -13.8108 -13.7377 -13.7377 -13.6177 -13.6177 6.1013 6.1013 6.1170 6.1170 7.6334 7.6334 7.8545 7.8545 7.9639 7.9639 8.8399 8.8399 11.6039 11.6039 13.4990 13.4990 13.8360 13.8360 14.2420 14.2420 14.6082 14.6082 16.1443 16.1443 17.0058 17.0058 17.4163 17.4163 k = 0.5000 0.2057 0.7295 ( 2442 PWs) bands (ev): -47.1876 -47.1876 -47.1709 -47.1709 -21.5181 -21.5181 -21.4676 -21.4676 -13.9204 -13.9204 -13.8118 -13.8118 -13.7294 -13.7294 -13.6139 -13.6139 6.1034 6.1034 6.1174 6.1174 7.6485 7.6485 7.8375 7.8375 7.9522 7.9522 8.7402 8.7402 11.5199 11.5199 13.5731 13.5731 13.8897 13.8897 14.2924 14.2924 14.6061 14.6061 16.0991 16.0991 16.9361 16.9361 17.3865 17.3865 k = 0.5000 0.2057 0.7098 ( 2442 PWs) bands (ev): -47.1886 -47.1886 -47.1708 -47.1708 -21.5180 -21.5180 -21.4642 -21.4642 -13.9166 -13.9166 -13.8127 -13.8127 -13.7211 -13.7211 -13.6101 -13.6101 6.1048 6.1048 6.1174 6.1174 7.6633 7.6633 7.8190 7.8190 7.9416 7.9416 8.6441 8.6441 11.4330 11.4330 13.6468 13.6468 13.9366 13.9366 14.3399 14.3399 14.6174 14.6174 16.0592 16.0592 16.8664 16.8664 17.3629 17.3629 k = 0.5000 0.2057 0.6901 ( 2442 PWs) bands (ev): -47.1895 -47.1895 -47.1708 -47.1708 -21.5178 -21.5178 -21.4608 -21.4608 -13.9128 -13.9128 -13.8134 -13.8134 -13.7128 -13.7128 -13.6063 -13.6063 6.1056 6.1056 6.1172 6.1172 7.6775 7.6775 7.7997 7.7997 7.9315 7.9315 8.5521 8.5521 11.3436 11.3436 13.7191 13.7191 13.9744 13.9744 14.3840 14.3840 14.6448 14.6448 16.0262 16.0262 16.7970 16.7970 17.3451 17.3451 k = 0.5000 0.2057 0.6704 ( 2442 PWs) bands (ev): -47.1905 -47.1905 -47.1707 -47.1707 -21.5176 -21.5176 -21.4575 -21.4575 -13.9089 -13.9089 -13.8140 -13.8140 -13.7046 -13.7046 -13.6026 -13.6026 6.1058 6.1058 6.1166 6.1166 7.6902 7.6902 7.7802 7.7802 7.9216 7.9216 8.4650 8.4650 11.2522 11.2522 13.7889 13.7889 14.0011 14.0011 14.4265 14.4265 14.6879 14.6879 16.0013 16.0013 16.7280 16.7280 17.3324 17.3324 k = 0.5000 0.2057 0.6506 ( 2432 PWs) bands (ev): -47.1915 -47.1915 -47.1706 -47.1706 -21.5173 -21.5173 -21.4539 -21.4539 -13.9051 -13.9051 -13.8143 -13.8143 -13.6963 -13.6963 -13.5988 -13.5988 6.1053 6.1053 6.1158 6.1158 7.7001 7.7001 7.7615 7.7615 7.9114 7.9114 8.3836 8.3836 11.1590 11.1590 13.8546 13.8546 14.0162 14.0162 14.4707 14.4707 14.7440 14.7440 15.9862 15.9862 16.6595 16.6595 17.3237 17.3237 k = 0.5000 0.2057 0.6309 ( 2436 PWs) bands (ev): -47.1924 -47.1924 -47.1706 -47.1706 -21.5173 -21.5173 -21.4505 -21.4505 -13.9014 -13.9014 -13.8144 -13.8144 -13.6882 -13.6882 -13.5952 -13.5952 6.1040 6.1040 6.1148 6.1148 7.7022 7.7022 7.7475 7.7475 7.9012 7.9012 8.3089 8.3089 11.0644 11.0644 13.9143 13.9143 14.0211 14.0211 14.5186 14.5186 14.8096 14.8096 15.9821 15.9821 16.5919 16.5919 17.3170 17.3170 k = 0.5000 0.2057 0.6112 ( 2436 PWs) bands (ev): -47.1934 -47.1934 -47.1705 -47.1705 -21.5172 -21.5172 -21.4470 -21.4470 -13.8980 -13.8980 -13.8142 -13.8142 -13.6802 -13.6802 -13.5915 -13.5915 6.1020 6.1020 6.1136 6.1136 7.6895 7.6895 7.7439 7.7439 7.8913 7.8913 8.2421 8.2421 10.9688 10.9688 13.9639 13.9639 14.0207 14.0207 14.5710 14.5710 14.8821 14.8821 15.9903 15.9903 16.5255 16.5255 17.3074 17.3074 k = 0.5000 0.2057 0.5915 ( 2432 PWs) bands (ev): -47.1943 -47.1943 -47.1705 -47.1705 -21.5170 -21.5170 -21.4435 -21.4435 -13.8948 -13.8948 -13.8135 -13.8135 -13.6723 -13.6723 -13.5878 -13.5878 6.0992 6.0992 6.1123 6.1123 7.6649 7.6649 7.7456 7.7456 7.8828 7.8828 8.1842 8.1842 10.8724 10.8724 13.9853 13.9853 14.0340 14.0340 14.6271 14.6271 14.9596 14.9596 16.0114 16.0114 16.4606 16.4606 17.2856 17.2856 k = 0.5000 0.2057 0.5718 ( 2428 PWs) bands (ev): -47.1953 -47.1953 -47.1704 -47.1704 -21.5168 -21.5168 -21.4401 -21.4401 -13.8918 -13.8918 -13.8123 -13.8123 -13.6647 -13.6647 -13.5842 -13.5842 6.0958 6.0958 6.1106 6.1106 7.6331 7.6331 7.7460 7.7460 7.8771 7.8771 8.1358 8.1358 10.7756 10.7756 13.9757 13.9757 14.0650 14.0650 14.6861 14.6861 15.0411 15.0411 16.0452 16.0452 16.3980 16.3980 17.2440 17.2440 k = 0.5000 0.2057 0.5521 ( 2428 PWs) bands (ev): -47.1962 -47.1962 -47.1704 -47.1704 -21.5166 -21.5166 -21.4367 -21.4367 -13.8892 -13.8892 -13.8108 -13.8108 -13.6574 -13.6574 -13.5805 -13.5805 6.0917 6.0917 6.1087 6.1087 7.5952 7.5952 7.7428 7.7428 7.8756 7.8756 8.0970 8.0970 10.6786 10.6786 13.9574 13.9574 14.0923 14.0923 14.7472 14.7472 15.1259 15.1259 16.0899 16.0899 16.3396 16.3396 17.1883 17.1883 k = 0.5000 0.2057 0.5323 ( 2436 PWs) bands (ev): -47.1972 -47.1972 -47.1703 -47.1703 -21.5165 -21.5165 -21.4335 -21.4335 -13.8869 -13.8869 -13.8088 -13.8088 -13.6505 -13.6505 -13.5770 -13.5770 6.0871 6.0871 6.1065 6.1065 7.5519 7.5519 7.7364 7.7364 7.8779 7.8779 8.0669 8.0669 10.5817 10.5817 13.9360 13.9360 14.1116 14.1116 14.8095 14.8095 15.2139 15.2139 16.1372 16.1372 16.2925 16.2925 17.1282 17.1282 k = 0.5000 0.2057 0.5126 ( 2436 PWs) bands (ev): -47.1981 -47.1981 -47.1703 -47.1703 -21.5164 -21.5164 -21.4302 -21.4302 -13.8849 -13.8849 -13.8062 -13.8062 -13.6438 -13.6438 -13.5733 -13.5733 6.0820 6.0820 6.1039 6.1039 7.5042 7.5042 7.7282 7.7282 7.8830 7.8830 8.0446 8.0446 10.4851 10.4851 13.9128 13.9128 14.1225 14.1225 14.8726 14.8726 15.3048 15.3048 16.1540 16.1540 16.2878 16.2878 17.0697 17.0697 k = 0.5000 0.2057 0.4929 ( 2442 PWs) bands (ev): -47.1990 -47.1990 -47.1702 -47.1702 -21.5162 -21.5162 -21.4271 -21.4271 -13.8833 -13.8833 -13.8033 -13.8033 -13.6376 -13.6376 -13.5696 -13.5696 6.0765 6.0765 6.1010 6.1010 7.4533 7.4533 7.7196 7.7196 7.8892 7.8892 8.0288 8.0288 10.3891 10.3891 13.8889 13.8889 14.1259 14.1259 14.9357 14.9357 15.3983 15.3983 16.1203 16.1203 16.3419 16.3419 17.0177 17.0177 k = 0.5000 0.2057 0.4732 ( 2442 PWs) bands (ev): -47.1999 -47.1999 -47.1702 -47.1702 -21.5160 -21.5160 -21.4240 -21.4240 -13.8821 -13.8821 -13.7999 -13.7999 -13.6317 -13.6317 -13.5658 -13.5658 6.0706 6.0706 6.0977 6.0977 7.4008 7.4008 7.7114 7.7114 7.8952 7.8952 8.0189 8.0189 10.2939 10.2939 13.8645 13.8645 14.1226 14.1226 14.9983 14.9983 15.4943 15.4943 16.0712 16.0712 16.4133 16.4133 16.9784 16.9784 k = 0.5000 0.2057 0.4535 ( 2440 PWs) bands (ev): -47.2007 -47.2007 -47.1701 -47.1701 -21.5159 -21.5159 -21.4208 -21.4208 -13.8811 -13.8811 -13.7961 -13.7961 -13.6263 -13.6263 -13.5618 -13.5618 6.0644 6.0644 6.0940 6.0940 7.3478 7.3478 7.7041 7.7041 7.8997 7.8997 8.0143 8.0143 10.1997 10.1997 13.8402 13.8402 14.1139 14.1139 15.0598 15.0598 15.5922 15.5922 16.0203 16.0203 16.4775 16.4775 16.9625 16.9625 k = 0.5000 0.2057 0.4338 ( 2440 PWs) bands (ev): -47.2016 -47.2016 -47.1701 -47.1701 -21.5156 -21.5156 -21.4179 -21.4179 -13.8803 -13.8803 -13.7919 -13.7919 -13.6214 -13.6214 -13.5577 -13.5577 6.0580 6.0580 6.0900 6.0900 7.2952 7.2952 7.6979 7.6979 7.9021 7.9021 8.0146 8.0146 10.1068 10.1068 13.8162 13.8162 14.1008 14.1008 15.1199 15.1199 15.6905 15.6905 15.9719 15.9719 16.5163 16.5163 16.9844 16.9844 k = 0.5000 0.2057 0.4140 ( 2436 PWs) bands (ev): -47.2024 -47.2024 -47.1700 -47.1700 -21.5154 -21.5154 -21.4149 -21.4149 -13.8798 -13.8798 -13.7875 -13.7875 -13.6170 -13.6170 -13.5535 -13.5535 6.0514 6.0514 6.0855 6.0855 7.2438 7.2438 7.6929 7.6929 7.9023 7.9023 8.0191 8.0191 10.0152 10.0152 13.7926 13.7926 14.0845 14.0845 15.1781 15.1781 15.7822 15.7822 15.9338 15.9338 16.5213 16.5213 17.0505 17.0505 k = 0.5000 0.2057 0.3943 ( 2430 PWs) bands (ev): -47.2032 -47.2032 -47.1700 -47.1700 -21.5152 -21.5152 -21.4120 -21.4120 -13.8795 -13.8795 -13.7828 -13.7828 -13.6131 -13.6131 -13.5492 -13.5492 6.0446 6.0446 6.0807 6.0807 7.1941 7.1941 7.6891 7.6891 7.9008 7.9008 8.0268 8.0268 9.9253 9.9253 13.7696 13.7696 14.0658 14.0658 15.2340 15.2340 15.8241 15.8241 15.9494 15.9494 16.5006 16.5006 17.1512 17.1512 k = 0.5000 0.2057 0.3746 ( 2430 PWs) bands (ev): -47.2040 -47.2040 -47.1699 -47.1699 -21.5150 -21.5150 -21.4093 -21.4093 -13.8793 -13.8793 -13.7779 -13.7779 -13.6098 -13.6098 -13.5449 -13.5449 6.0377 6.0377 6.0754 6.0754 7.1465 7.1465 7.6864 7.6864 7.8983 7.8983 8.0368 8.0368 9.8371 9.8371 13.7474 13.7474 14.0456 14.0456 15.2874 15.2874 15.7976 15.7976 16.0373 16.0373 16.4663 16.4663 17.2730 17.2730 k = 0.5000 0.2057 0.3549 ( 2428 PWs) bands (ev): -47.2047 -47.2047 -47.1699 -47.1699 -21.5148 -21.5148 -21.4067 -21.4067 -13.8793 -13.8793 -13.7729 -13.7729 -13.6069 -13.6069 -13.5404 -13.5404 6.0309 6.0309 6.0698 6.0698 7.1012 7.1012 7.6849 7.6849 7.8952 7.8952 8.0482 8.0482 9.7510 9.7510 13.7260 13.7260 14.0243 14.0243 15.3378 15.3378 15.7578 15.7578 16.1419 16.1419 16.4264 16.4264 17.4059 17.4059 k = 0.5000 0.2057 0.3352 ( 2424 PWs) bands (ev): -47.2054 -47.2054 -47.1699 -47.1699 -21.5146 -21.5146 -21.4040 -21.4040 -13.8794 -13.8794 -13.7679 -13.7679 -13.6045 -13.6045 -13.5359 -13.5359 6.0241 6.0241 6.0639 6.0639 7.0585 7.0585 7.6844 7.6844 7.8918 7.8918 8.0605 8.0605 9.6670 9.6670 13.7054 13.7054 14.0027 14.0027 15.3848 15.3848 15.7176 15.7176 16.2492 16.2492 16.3864 16.3864 17.5421 17.5421 k = 0.5000 0.2057 0.3155 ( 2428 PWs) bands (ev): -47.2061 -47.2061 -47.1698 -47.1698 -21.5145 -21.5145 -21.4016 -21.4016 -13.8795 -13.8795 -13.7628 -13.7628 -13.6026 -13.6026 -13.5315 -13.5315 6.0173 6.0173 6.0576 6.0576 7.0184 7.0184 7.6849 7.6849 7.8886 7.8886 8.0734 8.0734 9.5853 9.5853 13.6859 13.6859 13.9810 13.9810 15.4276 15.4276 15.6794 15.6794 16.3226 16.3226 16.3829 16.3829 17.6710 17.6710 k = 0.5000 0.2057 0.2957 ( 2432 PWs) bands (ev): -47.2068 -47.2068 -47.1698 -47.1698 -21.5143 -21.5143 -21.3994 -21.3994 -13.8798 -13.8798 -13.7578 -13.7578 -13.6011 -13.6011 -13.5272 -13.5272 6.0107 6.0107 6.0511 6.0511 6.9812 6.9812 7.6864 7.6864 7.8855 7.8855 8.0865 8.0865 9.5061 9.5061 13.6673 13.6673 13.9597 13.9597 15.4648 15.4648 15.6452 15.6452 16.2937 16.2937 16.4844 16.4844 17.7762 17.7762 k = 0.5000 0.2057 0.2760 ( 2430 PWs) bands (ev): -47.2074 -47.2074 -47.1698 -47.1698 -21.5142 -21.5142 -21.3971 -21.3971 -13.8800 -13.8800 -13.7528 -13.7528 -13.5998 -13.5998 -13.5230 -13.5230 6.0043 6.0043 6.0443 6.0443 6.9467 6.9467 7.6887 7.6887 7.8828 7.8828 8.0998 8.0998 9.4296 9.4296 13.6498 13.6498 13.9390 13.9390 15.4930 15.4930 15.6185 15.6185 16.2569 16.2569 16.5969 16.5969 17.8504 17.8504 k = 0.5000 0.2057 0.2563 ( 2426 PWs) bands (ev): -47.2079 -47.2079 -47.1697 -47.1697 -21.5141 -21.5141 -21.3950 -21.3950 -13.8803 -13.8803 -13.7479 -13.7479 -13.5989 -13.5989 -13.5188 -13.5188 5.9981 5.9981 6.0374 6.0374 6.9150 6.9150 7.6917 7.6917 7.8806 7.8806 8.1130 8.1130 9.3561 9.3561 13.6334 13.6334 13.9192 13.9192 15.5046 15.5046 15.6068 15.6068 16.2220 16.2220 16.7106 16.7106 17.9043 17.9043 k = 0.5000 0.2057 0.2366 ( 2426 PWs) bands (ev): -47.2085 -47.2085 -47.1697 -47.1697 -21.5140 -21.5140 -21.3930 -21.3930 -13.8806 -13.8806 -13.7431 -13.7431 -13.5983 -13.5983 -13.5149 -13.5149 5.9922 5.9922 6.0305 6.0305 6.8862 6.8862 7.6954 7.6954 7.8787 7.8787 8.1262 8.1262 9.2856 9.2856 13.6182 13.6182 13.9004 13.9004 15.4954 15.4954 15.6141 15.6141 16.1905 16.1905 16.8238 16.8238 17.9480 17.9480 k = 0.5000 0.2057 0.2169 ( 2430 PWs) bands (ev): -47.2090 -47.2090 -47.1697 -47.1697 -21.5140 -21.5140 -21.3912 -21.3912 -13.8809 -13.8809 -13.7386 -13.7386 -13.5980 -13.5980 -13.5112 -13.5112 5.9866 5.9866 6.0235 6.0235 6.8601 6.8601 7.6995 7.6995 7.8773 7.8773 8.1392 8.1392 9.2185 9.2185 13.6040 13.6040 13.8828 13.8828 15.4751 15.4751 15.6307 15.6307 16.1627 16.1627 16.9359 16.9359 17.9862 17.9862 k = 0.5000 0.2057 0.1972 ( 2428 PWs) bands (ev): -47.2094 -47.2094 -47.1697 -47.1697 -21.5139 -21.5139 -21.3896 -21.3896 -13.8812 -13.8812 -13.7342 -13.7342 -13.5978 -13.5978 -13.5077 -13.5077 5.9813 5.9813 6.0167 6.0167 6.8366 6.8366 7.7040 7.7040 7.8765 7.8765 8.1520 8.1520 9.1550 9.1550 13.5911 13.5911 13.8664 13.8664 15.4520 15.4520 15.6481 15.6481 16.1391 16.1391 17.0457 17.0457 18.0205 18.0205 k = 0.5000 0.2057 0.1774 ( 2428 PWs) bands (ev): -47.2098 -47.2098 -47.1697 -47.1697 -21.5138 -21.5138 -21.3881 -21.3881 -13.8814 -13.8814 -13.7300 -13.7300 -13.5979 -13.5979 -13.5045 -13.5045 5.9765 5.9765 6.0101 6.0101 6.8158 6.8158 7.7087 7.7087 7.8761 7.8761 8.1646 8.1646 9.0953 9.0953 13.5793 13.5793 13.8515 13.8515 15.4293 15.4293 15.6632 15.6632 16.1198 16.1198 17.1523 17.1523 18.0517 18.0517 k = 0.5000 0.2057 0.1577 ( 2428 PWs) bands (ev): -47.2102 -47.2102 -47.1696 -47.1696 -21.5137 -21.5137 -21.3867 -21.3867 -13.8817 -13.8817 -13.7261 -13.7261 -13.5980 -13.5980 -13.5016 -13.5016 5.9721 5.9721 6.0039 6.0039 6.7975 6.7975 7.7134 7.7134 7.8762 7.8762 8.1768 8.1768 9.0399 9.0399 13.5687 13.5687 13.8380 13.8380 15.4081 15.4081 15.6751 15.6751 16.1047 16.1047 17.2544 17.2544 18.0804 18.0804 k = 0.5000 0.2057 0.1380 ( 2420 PWs) bands (ev): -47.2105 -47.2105 -47.1696 -47.1696 -21.5135 -21.5135 -21.3854 -21.3854 -13.8819 -13.8819 -13.7226 -13.7226 -13.5982 -13.5982 -13.4990 -13.4990 5.9681 5.9681 5.9981 5.9981 6.7816 6.7816 7.7179 7.7179 7.8767 7.8767 8.1886 8.1886 8.9890 8.9890 13.5594 13.5594 13.8260 13.8260 15.3890 15.3890 15.6837 15.6837 16.0936 16.0936 17.3505 17.3505 18.1067 18.1067 k = 0.5000 0.2057 0.1183 ( 2416 PWs) bands (ev): -47.2108 -47.2108 -47.1696 -47.1696 -21.5134 -21.5134 -21.3843 -21.3843 -13.8820 -13.8820 -13.7194 -13.7194 -13.5985 -13.5985 -13.4967 -13.4967 5.9646 5.9646 5.9928 5.9928 6.7680 6.7680 7.7222 7.7222 7.8776 7.8776 8.1997 8.1997 8.9432 8.9432 13.5513 13.5513 13.8155 13.8155 15.3722 15.3722 15.6892 15.6892 16.0859 16.0859 17.4388 17.4388 18.1308 18.1308 k = 0.5000 0.2057 0.0986 ( 2412 PWs) bands (ev): -47.2111 -47.2111 -47.1696 -47.1696 -21.5133 -21.5133 -21.3834 -21.3834 -13.8822 -13.8822 -13.7166 -13.7166 -13.5989 -13.5989 -13.4947 -13.4947 5.9616 5.9616 5.9882 5.9882 6.7567 6.7567 7.7260 7.7260 7.8786 7.8786 8.2101 8.2101 8.9028 8.9028 13.5444 13.5444 13.8066 13.8066 15.3577 15.3577 15.6923 15.6923 16.0811 16.0811 17.5176 17.5176 18.1527 18.1527 k = 0.5000 0.2057 0.0789 ( 2410 PWs) bands (ev): -47.2113 -47.2113 -47.1696 -47.1696 -21.5132 -21.5132 -21.3827 -21.3827 -13.8823 -13.8823 -13.7142 -13.7142 -13.5992 -13.5992 -13.4931 -13.4931 5.9591 5.9591 5.9843 5.9843 6.7476 6.7476 7.7292 7.7292 7.8798 7.8798 8.2193 8.2193 8.8686 8.8686 13.5388 13.5388 13.7993 13.7993 15.3459 15.3459 15.6936 15.6936 16.0783 16.0783 17.5848 17.5848 18.1721 18.1721 k = 0.5000 0.2057 0.0591 ( 2414 PWs) bands (ev): -47.2114 -47.2114 -47.1696 -47.1696 -21.5132 -21.5132 -21.3821 -21.3821 -13.8824 -13.8824 -13.7124 -13.7124 -13.5995 -13.5995 -13.4918 -13.4918 5.9572 5.9572 5.9811 5.9811 6.7406 6.7406 7.7319 7.7319 7.8809 7.8809 8.2271 8.2271 8.8410 8.8410 13.5344 13.5344 13.7937 13.7937 15.3366 15.3366 15.6939 15.6939 16.0769 16.0769 17.6388 17.6388 18.1885 18.1885 k = 0.5000 0.2057 0.0394 ( 2418 PWs) bands (ev): -47.2115 -47.2115 -47.1696 -47.1696 -21.5133 -21.5133 -21.3817 -21.3817 -13.8826 -13.8826 -13.7111 -13.7111 -13.5998 -13.5998 -13.4909 -13.4909 5.9558 5.9558 5.9789 5.9789 6.7356 6.7356 7.7338 7.7338 7.8818 7.8818 8.2331 8.2331 8.8207 8.8207 13.5312 13.5312 13.7896 13.7896 15.3299 15.3299 15.6937 15.6937 16.0763 16.0763 17.6782 17.6782 18.2012 18.2012 k = 0.5000 0.2057 0.0197 ( 2418 PWs) bands (ev): -47.2116 -47.2116 -47.1696 -47.1696 -21.5133 -21.5133 -21.3815 -21.3815 -13.8826 -13.8826 -13.7103 -13.7103 -13.5999 -13.5999 -13.4904 -13.4904 5.9549 5.9549 5.9775 5.9775 6.7326 6.7326 7.7349 7.7349 7.8824 7.8824 8.2369 8.2369 8.8083 8.8083 13.5293 13.5293 13.7871 13.7871 15.3259 15.3259 15.6934 15.6934 16.0761 16.0761 17.7021 17.7021 18.2093 18.2093 k = 0.5000 0.2057-0.0000 ( 2420 PWs) bands (ev): -47.2116 -47.2116 -47.1696 -47.1696 -21.5133 -21.5133 -21.3814 -21.3814 -13.8827 -13.8827 -13.7101 -13.7101 -13.6000 -13.6000 -13.4902 -13.4902 5.9547 5.9547 5.9770 5.9770 6.7316 6.7316 7.7353 7.7353 7.8826 7.8826 8.2381 8.2381 8.8041 8.8041 13.5287 13.5287 13.7863 13.7863 15.3246 15.3246 15.6932 15.6932 16.0761 16.0761 17.7101 17.7101 18.2121 18.2121 k = 0.0000 0.0000 1.3139 ( 2422 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5272 -21.5272 -21.5196 -21.5196 -13.9437 -13.9437 -13.9348 -13.9348 -13.7427 -13.7427 -13.7118 -13.7118 5.9727 5.9727 6.0693 6.0693 7.3585 7.3585 7.8767 7.8767 8.5222 8.5222 11.1838 11.1838 12.1381 12.1381 12.5509 12.5509 13.1497 13.1497 14.1022 14.1022 15.2285 15.2285 15.7374 15.7374 18.2840 18.2840 18.5437 18.5437 k = 0.0179 0.0073 1.3139 ( 2426 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5196 -21.5196 -13.9438 -13.9438 -13.9348 -13.9348 -13.7428 -13.7428 -13.7118 -13.7118 5.9728 5.9728 6.0692 6.0692 7.3585 7.3585 7.8767 7.8767 8.5222 8.5222 11.1838 11.1838 12.1379 12.1379 12.5516 12.5516 13.1468 13.1468 14.1067 14.1067 15.2249 15.2249 15.7422 15.7422 18.2705 18.2705 18.5270 18.5270 k = 0.0357 0.0147 1.3139 ( 2430 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5197 -21.5197 -13.9440 -13.9440 -13.9347 -13.9347 -13.7427 -13.7427 -13.7118 -13.7118 5.9729 5.9729 6.0691 6.0691 7.3586 7.3586 7.8766 7.8766 8.5221 8.5221 11.1839 11.1839 12.1374 12.1374 12.5537 12.5537 13.1383 13.1383 14.1200 14.1200 15.2141 15.2141 15.7568 15.7568 18.2225 18.2225 18.4996 18.4996 k = 0.0536 0.0220 1.3139 ( 2430 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5197 -21.5197 -13.9442 -13.9442 -13.9344 -13.9344 -13.7428 -13.7428 -13.7118 -13.7118 5.9732 5.9732 6.0689 6.0689 7.3587 7.3587 7.8765 7.8765 8.5220 8.5220 11.1840 11.1840 12.1366 12.1366 12.5571 12.5571 13.1248 13.1248 14.1416 14.1416 15.1964 15.1964 15.7810 15.7810 18.1347 18.1347 18.4908 18.4908 k = 0.0714 0.0294 1.3139 ( 2432 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5198 -21.5198 -13.9445 -13.9445 -13.9342 -13.9342 -13.7429 -13.7429 -13.7117 -13.7117 5.9735 5.9735 6.0686 6.0686 7.3588 7.3588 7.8763 7.8763 8.5219 8.5219 11.1842 11.1842 12.1355 12.1355 12.5619 12.5619 13.1071 13.1071 14.1706 14.1706 15.1722 15.1722 15.8145 15.8145 18.0191 18.0191 18.5033 18.5033 k = 0.0893 0.0367 1.3139 ( 2434 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5198 -21.5198 -13.9448 -13.9448 -13.9338 -13.9338 -13.7430 -13.7430 -13.7117 -13.7117 5.9739 5.9739 6.0683 6.0683 7.3589 7.3589 7.8761 7.8761 8.5217 8.5217 11.1843 11.1843 12.1342 12.1342 12.5680 12.5680 13.0862 13.0862 14.2061 14.2061 15.1419 15.1419 15.8571 15.8571 17.8894 17.8894 18.5303 18.5303 k = 0.1071 0.0441 1.3139 ( 2432 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5273 -21.5273 -21.5198 -21.5198 -13.9451 -13.9451 -13.9334 -13.9334 -13.7431 -13.7431 -13.7116 -13.7116 5.9744 5.9744 6.0679 6.0679 7.3591 7.3591 7.8758 7.8758 8.5215 8.5215 11.1845 11.1845 12.1327 12.1327 12.5753 12.5753 13.0631 13.0631 14.2471 14.2471 15.1060 15.1060 15.9084 15.9084 17.7536 17.7536 18.5673 18.5673 k = 0.1250 0.0514 1.3139 ( 2446 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5275 -21.5275 -21.5199 -21.5199 -13.9456 -13.9456 -13.9332 -13.9332 -13.7433 -13.7433 -13.7117 -13.7117 5.9748 5.9748 6.0675 6.0675 7.3592 7.3592 7.8756 7.8756 8.5213 8.5213 11.1847 11.1847 12.1311 12.1311 12.5837 12.5837 13.0390 13.0390 14.2927 14.2927 15.0653 15.0653 15.9677 15.9677 17.6161 17.6161 18.6117 18.6117 k = 0.1429 0.0588 1.3139 ( 2446 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5274 -21.5274 -21.5199 -21.5199 -13.9459 -13.9459 -13.9328 -13.9328 -13.7434 -13.7434 -13.7116 -13.7116 5.9753 5.9753 6.0671 6.0671 7.3594 7.3594 7.8753 7.8753 8.5211 8.5211 11.1850 11.1850 12.1294 12.1294 12.5929 12.5929 13.0147 13.0147 14.3420 14.3420 15.0203 15.0203 16.0344 16.0344 17.4797 17.4797 18.6614 18.6614 k = 0.1607 0.0661 1.3139 ( 2442 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5274 -21.5274 -21.5198 -21.5198 -13.9461 -13.9461 -13.9325 -13.9325 -13.7434 -13.7434 -13.7115 -13.7115 5.9758 5.9758 6.0667 6.0667 7.3596 7.3596 7.8751 7.8751 8.5210 8.5210 11.1852 11.1852 12.1279 12.1279 12.6025 12.6025 12.9914 12.9914 14.3942 14.3942 14.9718 14.9718 16.1076 16.1076 17.3464 17.3464 18.7149 18.7149 k = 0.1786 0.0735 1.3139 ( 2444 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5274 -21.5274 -21.5199 -21.5199 -13.9464 -13.9464 -13.9323 -13.9323 -13.7435 -13.7435 -13.7115 -13.7115 5.9762 5.9762 6.0663 6.0663 7.3597 7.3597 7.8748 7.8748 8.5208 8.5208 11.1853 11.1853 12.1264 12.1264 12.6121 12.6121 12.9699 12.9699 14.4484 14.4484 14.9205 14.9205 16.1857 16.1857 17.2186 17.2186 18.7699 18.7699 k = 0.1964 0.0808 1.3139 ( 2448 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5275 -21.5275 -21.5199 -21.5199 -13.9466 -13.9466 -13.9321 -13.9321 -13.7436 -13.7436 -13.7115 -13.7115 5.9766 5.9766 6.0660 6.0660 7.3598 7.3598 7.8746 7.8746 8.5207 8.5207 11.1855 11.1855 12.1252 12.1252 12.6210 12.6210 12.9514 12.9514 14.5038 14.5038 14.8674 14.8674 16.2660 16.2660 17.0992 17.0992 18.8238 18.8238 k = 0.2143 0.0882 1.3139 ( 2448 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5275 -21.5275 -21.5199 -21.5199 -13.9467 -13.9467 -13.9319 -13.9319 -13.7436 -13.7436 -13.7115 -13.7115 5.9769 5.9769 6.0657 6.0657 7.3599 7.3599 7.8745 7.8745 8.5206 8.5206 11.1856 11.1856 12.1243 12.1243 12.6283 12.6283 12.9370 12.9370 14.5589 14.5589 14.8139 14.8139 16.3432 16.3432 16.9940 16.9940 18.8722 18.8722 k = 0.2321 0.0955 1.3139 ( 2452 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5275 -21.5275 -21.5199 -21.5199 -13.9469 -13.9469 -13.9319 -13.9319 -13.7436 -13.7436 -13.7115 -13.7115 5.9771 5.9771 6.0656 6.0656 7.3600 7.3600 7.8744 7.8744 8.5205 8.5205 11.1857 11.1857 12.1238 12.1238 12.6332 12.6332 12.9278 12.9278 14.6096 14.6096 14.7640 14.7640 16.4055 16.4055 16.9148 16.9148 18.9080 18.9080 k = 0.2500 0.1029 1.3139 ( 2444 PWs) bands (ev): -47.1719 -47.1719 -47.1706 -47.1706 -21.5274 -21.5274 -21.5199 -21.5199 -13.9469 -13.9469 -13.9317 -13.9317 -13.7435 -13.7435 -13.7115 -13.7115 5.9771 5.9771 6.0655 6.0655 7.3600 7.3600 7.8744 7.8744 8.5205 8.5205 11.1857 11.1857 12.1236 12.1236 12.6350 12.6350 12.9245 12.9245 14.6367 14.6367 14.7372 14.7372 16.4313 16.4313 16.8833 16.8833 18.9218 18.9218 Writing output data file Hf2Hg.save init_run : 0.31s CPU 0.45s WALL ( 1 calls) electrons : 226.72s CPU 229.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 226.71s CPU 229.58s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 401 calls) cegterg : 207.62s CPU 209.95s WALL ( 639 calls) Called by sum_band: Called by *egterg: h_psi : 157.38s CPU 158.90s WALL ( 10242 calls) s_psi : 4.08s CPU 4.15s WALL ( 10242 calls) g_psi : 0.18s CPU 0.18s WALL ( 9202 calls) cdiaghg : 50.78s CPU 51.20s WALL ( 9603 calls) cegterg:over : 4.36s CPU 4.54s WALL ( 9202 calls) cegterg:upda : 3.06s CPU 3.20s WALL ( 9202 calls) cegterg:last : 1.96s CPU 2.12s WALL ( 1834 calls) cdiaghg:chol : 2.82s CPU 2.80s WALL ( 9603 calls) cdiaghg:inve : 1.55s CPU 1.55s WALL ( 9603 calls) cdiaghg:para : 3.07s CPU 3.03s WALL ( 19206 calls) Called by h_psi: h_psi:vloc : 148.69s CPU 150.14s WALL ( 10242 calls) h_psi:vnl : 8.51s CPU 8.61s WALL ( 10242 calls) add_vuspsi : 4.74s CPU 4.74s WALL ( 10242 calls) General routines calbec : 3.74s CPU 3.84s WALL ( 10242 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 134.74s CPU 136.22s WALL ( 970912 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.31s WALL ( 802 calls) Parallel routines fft_scatter : 36.01s CPU 36.14s WALL ( 970935 calls) PWSCF : 4m 0.98s CPU 4m28.32s WALL This run was terminated on: 19:35: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=