Program PWSCF v.5.4.0 starts on 29Mar2017 at 10: 5:22 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Tl5Te3.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 56 15 2425 1902 271 Max 66 57 16 2431 1934 276 Sum 4745 4049 1101 174879 137815 19627 bravais-lattice index = 14 lattice parameter (alat) = 16.8410 a.u. unit-cell volume = 3383.3827 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 166.00 number of Kohn-Sham states= 200 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 211.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.840991 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.498233 celldm(5)= -0.498233 celldm(6)= -0.003533 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.003533 0.999994 0.000000 ) a(3) = ( -0.498233 -0.499997 0.708355 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.003533 0.705861 ) b(2) = ( 0.000000 1.000006 0.705861 ) b(3) = ( 0.000000 0.000000 1.411722 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Tl 13.00 204.38330 Tl( 1.00) Te 6.00 127.60000 Te( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 197 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 2) = ( 0.0000000 0.0000000 0.0282344), wk = 0.0050761 k( 3) = ( 0.0000000 0.0000000 0.0564689), wk = 0.0050761 k( 4) = ( 0.0000000 0.0000000 0.0847033), wk = 0.0050761 k( 5) = ( 0.0000000 0.0000000 0.1129377), wk = 0.0050761 k( 6) = ( 0.0000000 0.0000000 0.1411722), wk = 0.0050761 k( 7) = ( 0.0000000 0.0000000 0.1694066), wk = 0.0050761 k( 8) = ( 0.0000000 0.0000000 0.1976410), wk = 0.0050761 k( 9) = ( 0.0000000 0.0000000 0.2258755), wk = 0.0050761 k( 10) = ( 0.0000000 0.0000000 0.2541099), wk = 0.0050761 k( 11) = ( 0.0000000 0.0000000 0.2823443), wk = 0.0050761 k( 12) = ( 0.0000000 0.0000000 0.3105788), wk = 0.0050761 k( 13) = ( 0.0000000 0.0000000 0.3388132), wk = 0.0050761 k( 14) = ( 0.0000000 0.0000000 0.3670476), wk = 0.0050761 k( 15) = ( 0.0000000 0.0000000 0.3952821), wk = 0.0050761 k( 16) = ( 0.0000000 0.0000000 0.4235165), wk = 0.0050761 k( 17) = ( 0.0000000 0.0000000 0.4517509), wk = 0.0050761 k( 18) = ( 0.0000000 0.0000000 0.4799854), wk = 0.0050761 k( 19) = ( 0.0000000 0.0000000 0.5082198), wk = 0.0050761 k( 20) = ( 0.0000000 0.0000000 0.5364542), wk = 0.0050761 k( 21) = ( 0.0000000 0.0000000 0.5646887), wk = 0.0050761 k( 22) = ( 0.0000000 0.0000000 0.5929231), wk = 0.0050761 k( 23) = ( 0.0000000 0.0000000 0.6211575), wk = 0.0050761 k( 24) = ( 0.0000000 0.0000000 0.6493920), wk = 0.0050761 k( 25) = ( 0.0000000 0.0000000 0.6776264), wk = 0.0050761 k( 26) = ( 0.0000000 0.0000000 0.7058608), wk = 0.0050761 k( 27) = ( 0.0000000 0.0000000 0.7058608), wk = 0.0050761 k( 28) = ( -0.0193671 0.0192988 0.7058608), wk = 0.0050761 k( 29) = ( -0.0387343 0.0385977 0.7058608), wk = 0.0050761 k( 30) = ( -0.0581015 0.0578965 0.7058608), wk = 0.0050761 k( 31) = ( -0.0774686 0.0771954 0.7058608), wk = 0.0050761 k( 32) = ( -0.0968358 0.0964942 0.7058608), wk = 0.0050761 k( 33) = ( -0.1162029 0.1157930 0.7058608), wk = 0.0050761 k( 34) = ( -0.1355701 0.1350919 0.7058608), wk = 0.0050761 k( 35) = ( -0.1549372 0.1543907 0.7058608), wk = 0.0050761 k( 36) = ( -0.1743044 0.1736896 0.7058608), wk = 0.0050761 k( 37) = ( -0.1936715 0.1929884 0.7058608), wk = 0.0050761 k( 38) = ( -0.2130387 0.2122872 0.7058608), wk = 0.0050761 k( 39) = ( -0.2324058 0.2315861 0.7058608), wk = 0.0050761 k( 40) = ( -0.2517730 0.2508849 0.7058608), wk = 0.0050761 k( 41) = ( -0.2517730 0.2508849 0.7058608), wk = 0.0050761 k( 42) = ( -0.2655634 0.2646267 0.6863926), wk = 0.0050761 k( 43) = ( -0.2793538 0.2783684 0.6669244), wk = 0.0050761 k( 44) = ( -0.2931441 0.2921102 0.6474562), wk = 0.0050761 k( 45) = ( -0.3069345 0.3058519 0.6279881), wk = 0.0050761 k( 46) = ( -0.3207249 0.3195937 0.6085199), wk = 0.0050761 k( 47) = ( -0.3345153 0.3333354 0.5890517), wk = 0.0050761 k( 48) = ( -0.3483057 0.3470772 0.5695835), wk = 0.0050761 k( 49) = ( -0.3620961 0.3608189 0.5501153), wk = 0.0050761 k( 50) = ( -0.3758865 0.3745607 0.5306471), wk = 0.0050761 k( 51) = ( -0.3758865 0.3745607 0.5306471), wk = 0.0050761 k( 52) = ( -0.3619648 0.3606880 0.5109935), wk = 0.0050761 k( 53) = ( -0.3480431 0.3468154 0.4913399), wk = 0.0050761 k( 54) = ( -0.3341213 0.3329428 0.4716863), wk = 0.0050761 k( 55) = ( -0.3201996 0.3190702 0.4520327), wk = 0.0050761 k( 56) = ( -0.3062779 0.3051976 0.4323791), wk = 0.0050761 k( 57) = ( -0.2923562 0.2913250 0.4127255), wk = 0.0050761 k( 58) = ( -0.2784344 0.2774523 0.3930719), wk = 0.0050761 k( 59) = ( -0.2645127 0.2635797 0.3734183), wk = 0.0050761 k( 60) = ( -0.2505910 0.2497071 0.3537647), wk = 0.0050761 k( 61) = ( -0.2366693 0.2358345 0.3341111), wk = 0.0050761 k( 62) = ( -0.2227475 0.2219619 0.3144575), wk = 0.0050761 k( 63) = ( -0.2088258 0.2080893 0.2948039), wk = 0.0050761 k( 64) = ( -0.1949041 0.1942166 0.2751504), wk = 0.0050761 k( 65) = ( -0.1809824 0.1803440 0.2554967), wk = 0.0050761 k( 66) = ( -0.1670607 0.1664714 0.2358431), wk = 0.0050761 k( 67) = ( -0.1531389 0.1525988 0.2161896), wk = 0.0050761 k( 68) = ( -0.1392172 0.1387262 0.1965360), wk = 0.0050761 k( 69) = ( -0.1252955 0.1248536 0.1768824), wk = 0.0050761 k( 70) = ( -0.1113738 0.1109809 0.1572288), wk = 0.0050761 k( 71) = ( -0.0974520 0.0971083 0.1375752), wk = 0.0050761 k( 72) = ( -0.0835303 0.0832357 0.1179216), wk = 0.0050761 k( 73) = ( -0.0696086 0.0693631 0.0982680), wk = 0.0050761 k( 74) = ( -0.0556869 0.0554905 0.0786144), wk = 0.0050761 k( 75) = ( -0.0417652 0.0416179 0.0589608), wk = 0.0050761 k( 76) = ( -0.0278434 0.0277452 0.0393072), wk = 0.0050761 k( 77) = ( -0.0139217 0.0138726 0.0196536), wk = 0.0050761 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 80) = ( 0.0200000 0.0200708 -0.0000000), wk = 0.0050761 k( 81) = ( 0.0400000 0.0401416 -0.0000000), wk = 0.0050761 k( 82) = ( 0.0600000 0.0602124 -0.0000000), wk = 0.0050761 k( 83) = ( 0.0800000 0.0802832 -0.0000000), wk = 0.0050761 k( 84) = ( 0.1000000 0.1003540 -0.0000000), wk = 0.0050761 k( 85) = ( 0.1200000 0.1204248 -0.0000000), wk = 0.0050761 k( 86) = ( 0.1400000 0.1404956 -0.0000000), wk = 0.0050761 k( 87) = ( 0.1600000 0.1605664 -0.0000000), wk = 0.0050761 k( 88) = ( 0.1800000 0.1806371 -0.0000000), wk = 0.0050761 k( 89) = ( 0.2000000 0.2007079 -0.0000000), wk = 0.0050761 k( 90) = ( 0.2200000 0.2207787 -0.0000000), wk = 0.0050761 k( 91) = ( 0.2400000 0.2408495 -0.0000000), wk = 0.0050761 k( 92) = ( 0.2600000 0.2609203 -0.0000000), wk = 0.0050761 k( 93) = ( 0.2800000 0.2809911 -0.0000000), wk = 0.0050761 k( 94) = ( 0.3000000 0.3010619 -0.0000000), wk = 0.0050761 k( 95) = ( 0.3200000 0.3211327 -0.0000000), wk = 0.0050761 k( 96) = ( 0.3400000 0.3412035 -0.0000000), wk = 0.0050761 k( 97) = ( 0.3600000 0.3612743 -0.0000000), wk = 0.0050761 k( 98) = ( 0.3800000 0.3813451 -0.0000000), wk = 0.0050761 k( 99) = ( 0.4000000 0.4014159 -0.0000000), wk = 0.0050761 k( 100) = ( 0.4200000 0.4214867 -0.0000000), wk = 0.0050761 k( 101) = ( 0.4400000 0.4415575 -0.0000000), wk = 0.0050761 k( 102) = ( 0.4600000 0.4616283 -0.0000000), wk = 0.0050761 k( 103) = ( 0.4800000 0.4816991 -0.0000000), wk = 0.0050761 k( 104) = ( 0.5000000 0.5017699 -0.0000000), wk = 0.0050761 k( 105) = ( 0.5000000 0.5017699 -0.0000000), wk = 0.0050761 k( 106) = ( 0.4862096 0.5155116 0.0194682), wk = 0.0050761 k( 107) = ( 0.4724192 0.5292533 0.0389364), wk = 0.0050761 k( 108) = ( 0.4586288 0.5429951 0.0584046), wk = 0.0050761 k( 109) = ( 0.4448384 0.5567368 0.0778728), wk = 0.0050761 k( 110) = ( 0.4310481 0.5704786 0.0973410), wk = 0.0050761 k( 111) = ( 0.4172577 0.5842203 0.1168092), wk = 0.0050761 k( 112) = ( 0.4034673 0.5979621 0.1362773), wk = 0.0050761 k( 113) = ( 0.3896769 0.6117038 0.1557455), wk = 0.0050761 k( 114) = ( 0.3758865 0.6254456 0.1752137), wk = 0.0050761 k( 115) = ( 0.3758865 0.6254456 0.1752137), wk = 0.0050761 k( 116) = ( 0.3523936 0.6176054 0.1863210), wk = 0.0050761 k( 117) = ( 0.3289007 0.6097653 0.1974283), wk = 0.0050761 k( 118) = ( 0.3054078 0.6019251 0.2085356), wk = 0.0050761 k( 119) = ( 0.2819149 0.5940850 0.2196429), wk = 0.0050761 k( 120) = ( 0.2584220 0.5862448 0.2307502), wk = 0.0050761 k( 121) = ( 0.2349291 0.5784047 0.2418575), wk = 0.0050761 k( 122) = ( 0.2114361 0.5705645 0.2529648), wk = 0.0050761 k( 123) = ( 0.1879433 0.5627243 0.2640721), wk = 0.0050761 k( 124) = ( 0.1644503 0.5548842 0.2751794), wk = 0.0050761 k( 125) = ( 0.1409574 0.5470440 0.2862867), wk = 0.0050761 k( 126) = ( 0.1174645 0.5392039 0.2973939), wk = 0.0050761 k( 127) = ( 0.0939716 0.5313637 0.3085012), wk = 0.0050761 k( 128) = ( 0.0704787 0.5235236 0.3196085), wk = 0.0050761 k( 129) = ( 0.0469858 0.5156834 0.3307158), wk = 0.0050761 k( 130) = ( 0.0234929 0.5078433 0.3418231), wk = 0.0050761 k( 131) = ( 0.0000000 0.5000031 0.3529304), wk = 0.0050761 k( 132) = ( 0.0000000 0.5000031 0.3529304), wk = 0.0050761 k( 133) = ( 0.0138889 0.4861632 0.3725377), wk = 0.0050761 k( 134) = ( 0.0277778 0.4723233 0.3921449), wk = 0.0050761 k( 135) = ( 0.0416667 0.4584834 0.4117522), wk = 0.0050761 k( 136) = ( 0.0555556 0.4446435 0.4313594), wk = 0.0050761 k( 137) = ( 0.0694444 0.4308036 0.4509666), wk = 0.0050761 k( 138) = ( 0.0833333 0.4169637 0.4705739), wk = 0.0050761 k( 139) = ( 0.0972222 0.4031238 0.4901811), wk = 0.0050761 k( 140) = ( 0.1111111 0.3892839 0.5097884), wk = 0.0050761 k( 141) = ( 0.1250000 0.3754440 0.5293956), wk = 0.0050761 k( 142) = ( 0.1388889 0.3616041 0.5490029), wk = 0.0050761 k( 143) = ( 0.1527778 0.3477642 0.5686101), wk = 0.0050761 k( 144) = ( 0.1666667 0.3339243 0.5882174), wk = 0.0050761 k( 145) = ( 0.1805556 0.3200844 0.6078246), wk = 0.0050761 k( 146) = ( 0.1944444 0.3062445 0.6274318), wk = 0.0050761 k( 147) = ( 0.2083333 0.2924046 0.6470391), wk = 0.0050761 k( 148) = ( 0.2222222 0.2785647 0.6666463), wk = 0.0050761 k( 149) = ( 0.2361111 0.2647248 0.6862536), wk = 0.0050761 k( 150) = ( 0.2500000 0.2508849 0.7058608), wk = 0.0050761 k( 151) = ( 0.2500000 0.2508849 0.7058608), wk = 0.0050761 k( 152) = ( 0.2638889 0.2648230 0.6861145), wk = 0.0050761 k( 153) = ( 0.2777778 0.2787610 0.6663682), wk = 0.0050761 k( 154) = ( 0.2916667 0.2926991 0.6466219), wk = 0.0050761 k( 155) = ( 0.3055556 0.3066371 0.6268756), wk = 0.0050761 k( 156) = ( 0.3194444 0.3205752 0.6071293), wk = 0.0050761 k( 157) = ( 0.3333333 0.3345132 0.5873830), wk = 0.0050761 k( 158) = ( 0.3472222 0.3484513 0.5676367), wk = 0.0050761 k( 159) = ( 0.3611111 0.3623893 0.5478904), wk = 0.0050761 k( 160) = ( 0.3750000 0.3763274 0.5281441), wk = 0.0050761 k( 161) = ( 0.3888889 0.3902654 0.5083978), wk = 0.0050761 k( 162) = ( 0.4027778 0.4042035 0.4886515), wk = 0.0050761 k( 163) = ( 0.4166667 0.4181415 0.4689053), wk = 0.0050761 k( 164) = ( 0.4305556 0.4320796 0.4491589), wk = 0.0050761 k( 165) = ( 0.4444444 0.4460176 0.4294126), wk = 0.0050761 k( 166) = ( 0.4583333 0.4599557 0.4096663), wk = 0.0050761 k( 167) = ( 0.4722222 0.4738937 0.3899200), wk = 0.0050761 k( 168) = ( 0.4861111 0.4878318 0.3701737), wk = 0.0050761 k( 169) = ( 0.5000000 0.5017699 0.3504275), wk = 0.0050761 k( 170) = ( 0.5000000 0.5017699 0.3504275), wk = 0.0050761 k( 171) = ( 0.5000000 0.5017699 0.3234715), wk = 0.0050761 k( 172) = ( 0.5000000 0.5017699 0.2965155), wk = 0.0050761 k( 173) = ( 0.5000000 0.5017699 0.2695596), wk = 0.0050761 k( 174) = ( 0.5000000 0.5017699 0.2426036), wk = 0.0050761 k( 175) = ( 0.5000000 0.5017699 0.2156477), wk = 0.0050761 k( 176) = ( 0.5000000 0.5017699 0.1886917), wk = 0.0050761 k( 177) = ( 0.5000000 0.5017699 0.1617358), wk = 0.0050761 k( 178) = ( 0.5000000 0.5017699 0.1347798), wk = 0.0050761 k( 179) = ( 0.5000000 0.5017699 0.1078238), wk = 0.0050761 k( 180) = ( 0.5000000 0.5017699 0.0808679), wk = 0.0050761 k( 181) = ( 0.5000000 0.5017699 0.0539119), wk = 0.0050761 k( 182) = ( 0.5000000 0.5017699 0.0269560), wk = 0.0050761 k( 183) = ( 0.5000000 0.5017699 -0.0000000), wk = 0.0050761 k( 184) = ( 0.0000000 0.0000000 0.7058608), wk = 0.0050761 k( 185) = ( 0.0192308 0.0192988 0.7058608), wk = 0.0050761 k( 186) = ( 0.0384615 0.0385977 0.7058608), wk = 0.0050761 k( 187) = ( 0.0576923 0.0578965 0.7058608), wk = 0.0050761 k( 188) = ( 0.0769231 0.0771954 0.7058608), wk = 0.0050761 k( 189) = ( 0.0961538 0.0964942 0.7058608), wk = 0.0050761 k( 190) = ( 0.1153846 0.1157930 0.7058608), wk = 0.0050761 k( 191) = ( 0.1346154 0.1350919 0.7058608), wk = 0.0050761 k( 192) = ( 0.1538461 0.1543907 0.7058608), wk = 0.0050761 k( 193) = ( 0.1730769 0.1736896 0.7058608), wk = 0.0050761 k( 194) = ( 0.1923077 0.1929884 0.7058608), wk = 0.0050761 k( 195) = ( 0.2115385 0.2122872 0.7058608), wk = 0.0050761 k( 196) = ( 0.2307692 0.2315861 0.7058608), wk = 0.0050761 k( 197) = ( 0.2500000 0.2508849 0.7058608), wk = 0.0050761 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 2) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0050761 k( 3) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0050761 k( 4) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0050761 k( 5) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0050761 k( 6) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0050761 k( 7) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0050761 k( 8) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0050761 k( 9) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0050761 k( 10) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0050761 k( 11) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0050761 k( 12) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0050761 k( 13) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0050761 k( 14) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0050761 k( 15) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0050761 k( 16) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0050761 k( 17) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0050761 k( 18) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0050761 k( 19) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0050761 k( 20) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0050761 k( 21) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0050761 k( 22) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0050761 k( 23) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0050761 k( 24) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0050761 k( 25) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0050761 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050761 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050761 k( 28) = ( -0.0193671 0.0193671 0.5000000), wk = 0.0050761 k( 29) = ( -0.0387343 0.0387343 0.5000000), wk = 0.0050761 k( 30) = ( -0.0581015 0.0581015 0.5000000), wk = 0.0050761 k( 31) = ( -0.0774686 0.0774686 0.5000000), wk = 0.0050761 k( 32) = ( -0.0968358 0.0968358 0.5000000), wk = 0.0050761 k( 33) = ( -0.1162029 0.1162029 0.5000000), wk = 0.0050761 k( 34) = ( -0.1355701 0.1355701 0.5000000), wk = 0.0050761 k( 35) = ( -0.1549372 0.1549372 0.5000000), wk = 0.0050761 k( 36) = ( -0.1743044 0.1743044 0.5000000), wk = 0.0050761 k( 37) = ( -0.1936715 0.1936715 0.5000000), wk = 0.0050761 k( 38) = ( -0.2130387 0.2130387 0.5000000), wk = 0.0050761 k( 39) = ( -0.2324058 0.2324058 0.5000000), wk = 0.0050761 k( 40) = ( -0.2517730 0.2517730 0.5000000), wk = 0.0050761 k( 41) = ( -0.2517730 0.2517730 0.5000000), wk = 0.0050761 k( 42) = ( -0.2655634 0.2655634 0.4862096), wk = 0.0050761 k( 43) = ( -0.2793538 0.2793538 0.4724192), wk = 0.0050761 k( 44) = ( -0.2931441 0.2931441 0.4586288), wk = 0.0050761 k( 45) = ( -0.3069345 0.3069345 0.4448384), wk = 0.0050761 k( 46) = ( -0.3207249 0.3207249 0.4310481), wk = 0.0050761 k( 47) = ( -0.3345153 0.3345153 0.4172577), wk = 0.0050761 k( 48) = ( -0.3483057 0.3483057 0.4034673), wk = 0.0050761 k( 49) = ( -0.3620961 0.3620961 0.3896769), wk = 0.0050761 k( 50) = ( -0.3758865 0.3758865 0.3758865), wk = 0.0050761 k( 51) = ( -0.3758865 0.3758865 0.3758865), wk = 0.0050761 k( 52) = ( -0.3619648 0.3619648 0.3619648), wk = 0.0050761 k( 53) = ( -0.3480431 0.3480430 0.3480431), wk = 0.0050761 k( 54) = ( -0.3341213 0.3341213 0.3341213), wk = 0.0050761 k( 55) = ( -0.3201996 0.3201996 0.3201996), wk = 0.0050761 k( 56) = ( -0.3062779 0.3062779 0.3062779), wk = 0.0050761 k( 57) = ( -0.2923562 0.2923562 0.2923562), wk = 0.0050761 k( 58) = ( -0.2784344 0.2784344 0.2784344), wk = 0.0050761 k( 59) = ( -0.2645127 0.2645127 0.2645127), wk = 0.0050761 k( 60) = ( -0.2505910 0.2505910 0.2505910), wk = 0.0050761 k( 61) = ( -0.2366693 0.2366693 0.2366693), wk = 0.0050761 k( 62) = ( -0.2227475 0.2227475 0.2227475), wk = 0.0050761 k( 63) = ( -0.2088258 0.2088258 0.2088258), wk = 0.0050761 k( 64) = ( -0.1949041 0.1949041 0.1949041), wk = 0.0050761 k( 65) = ( -0.1809824 0.1809824 0.1809824), wk = 0.0050761 k( 66) = ( -0.1670607 0.1670607 0.1670607), wk = 0.0050761 k( 67) = ( -0.1531389 0.1531389 0.1531389), wk = 0.0050761 k( 68) = ( -0.1392172 0.1392172 0.1392172), wk = 0.0050761 k( 69) = ( -0.1252955 0.1252955 0.1252955), wk = 0.0050761 k( 70) = ( -0.1113738 0.1113738 0.1113738), wk = 0.0050761 k( 71) = ( -0.0974520 0.0974520 0.0974520), wk = 0.0050761 k( 72) = ( -0.0835303 0.0835303 0.0835303), wk = 0.0050761 k( 73) = ( -0.0696086 0.0696086 0.0696086), wk = 0.0050761 k( 74) = ( -0.0556869 0.0556869 0.0556869), wk = 0.0050761 k( 75) = ( -0.0417652 0.0417652 0.0417652), wk = 0.0050761 k( 76) = ( -0.0278434 0.0278434 0.0278434), wk = 0.0050761 k( 77) = ( -0.0139217 0.0139217 0.0139217), wk = 0.0050761 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 80) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0050761 k( 81) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0050761 k( 82) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0050761 k( 83) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0050761 k( 84) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0050761 k( 85) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0050761 k( 86) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0050761 k( 87) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0050761 k( 88) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0050761 k( 89) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0050761 k( 90) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0050761 k( 91) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0050761 k( 92) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0050761 k( 93) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0050761 k( 94) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0050761 k( 95) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0050761 k( 96) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0050761 k( 97) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0050761 k( 98) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0050761 k( 99) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0050761 k( 100) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0050761 k( 101) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0050761 k( 102) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0050761 k( 103) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0050761 k( 104) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0050761 k( 105) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0050761 k( 106) = ( 0.4862096 0.5137904 -0.4862096), wk = 0.0050761 k( 107) = ( 0.4724192 0.5275808 -0.4724192), wk = 0.0050761 k( 108) = ( 0.4586288 0.5413712 -0.4586288), wk = 0.0050761 k( 109) = ( 0.4448384 0.5551616 -0.4448384), wk = 0.0050761 k( 110) = ( 0.4310481 0.5689519 -0.4310481), wk = 0.0050761 k( 111) = ( 0.4172577 0.5827423 -0.4172577), wk = 0.0050761 k( 112) = ( 0.4034673 0.5965327 -0.4034673), wk = 0.0050761 k( 113) = ( 0.3896769 0.6103231 -0.3896769), wk = 0.0050761 k( 114) = ( 0.3758865 0.6241135 -0.3758865), wk = 0.0050761 k( 115) = ( 0.3758865 0.6241135 -0.3758865), wk = 0.0050761 k( 116) = ( 0.3523936 0.6163564 -0.3523936), wk = 0.0050761 k( 117) = ( 0.3289007 0.6085993 -0.3289007), wk = 0.0050761 k( 118) = ( 0.3054078 0.6008422 -0.3054078), wk = 0.0050761 k( 119) = ( 0.2819149 0.5930851 -0.2819149), wk = 0.0050761 k( 120) = ( 0.2584220 0.5853280 -0.2584220), wk = 0.0050761 k( 121) = ( 0.2349291 0.5775709 -0.2349291), wk = 0.0050761 k( 122) = ( 0.2114361 0.5698138 -0.2114362), wk = 0.0050761 k( 123) = ( 0.1879433 0.5620567 -0.1879433), wk = 0.0050761 k( 124) = ( 0.1644503 0.5542997 -0.1644503), wk = 0.0050761 k( 125) = ( 0.1409574 0.5465426 -0.1409574), wk = 0.0050761 k( 126) = ( 0.1174645 0.5387855 -0.1174645), wk = 0.0050761 k( 127) = ( 0.0939716 0.5310284 -0.0939716), wk = 0.0050761 k( 128) = ( 0.0704787 0.5232713 -0.0704787), wk = 0.0050761 k( 129) = ( 0.0469858 0.5155142 -0.0469858), wk = 0.0050761 k( 130) = ( 0.0234929 0.5077571 -0.0234929), wk = 0.0050761 k( 131) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 132) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 133) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0050761 k( 134) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0050761 k( 135) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0050761 k( 136) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0050761 k( 137) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0050761 k( 138) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0050761 k( 139) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0050761 k( 140) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0050761 k( 141) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0050761 k( 142) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0050761 k( 143) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0050761 k( 144) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0050761 k( 145) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0050761 k( 146) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0050761 k( 147) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0050761 k( 148) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0050761 k( 149) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0050761 k( 150) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050761 k( 151) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050761 k( 152) = ( 0.2638889 0.2638889 0.2221237), wk = 0.0050761 k( 153) = ( 0.2777778 0.2777778 0.1942474), wk = 0.0050761 k( 154) = ( 0.2916667 0.2916667 0.1663712), wk = 0.0050761 k( 155) = ( 0.3055556 0.3055556 0.1384949), wk = 0.0050761 k( 156) = ( 0.3194444 0.3194444 0.1106186), wk = 0.0050761 k( 157) = ( 0.3333333 0.3333333 0.0827423), wk = 0.0050761 k( 158) = ( 0.3472222 0.3472222 0.0548661), wk = 0.0050761 k( 159) = ( 0.3611111 0.3611111 0.0269898), wk = 0.0050761 k( 160) = ( 0.3750000 0.3750000 -0.0008865), wk = 0.0050761 k( 161) = ( 0.3888889 0.3888889 -0.0287628), wk = 0.0050761 k( 162) = ( 0.4027778 0.4027778 -0.0566390), wk = 0.0050761 k( 163) = ( 0.4166667 0.4166667 -0.0845153), wk = 0.0050761 k( 164) = ( 0.4305556 0.4305556 -0.1123916), wk = 0.0050761 k( 165) = ( 0.4444444 0.4444444 -0.1402679), wk = 0.0050761 k( 166) = ( 0.4583333 0.4583333 -0.1681442), wk = 0.0050761 k( 167) = ( 0.4722222 0.4722222 -0.1960204), wk = 0.0050761 k( 168) = ( 0.4861111 0.4861111 -0.2238967), wk = 0.0050761 k( 169) = ( 0.5000000 0.5000000 -0.2517730), wk = 0.0050761 k( 170) = ( 0.5000000 0.5000000 -0.2517730), wk = 0.0050761 k( 171) = ( 0.5000000 0.5000000 -0.2708674), wk = 0.0050761 k( 172) = ( 0.5000000 0.5000000 -0.2899618), wk = 0.0050761 k( 173) = ( 0.5000000 0.5000000 -0.3090561), wk = 0.0050761 k( 174) = ( 0.5000000 0.5000000 -0.3281505), wk = 0.0050761 k( 175) = ( 0.5000000 0.5000000 -0.3472449), wk = 0.0050761 k( 176) = ( 0.5000000 0.5000000 -0.3663393), wk = 0.0050761 k( 177) = ( 0.5000000 0.5000000 -0.3854337), wk = 0.0050761 k( 178) = ( 0.5000000 0.5000000 -0.4045281), wk = 0.0050761 k( 179) = ( 0.5000000 0.5000000 -0.4236225), wk = 0.0050761 k( 180) = ( 0.5000000 0.5000000 -0.4427168), wk = 0.0050761 k( 181) = ( 0.5000000 0.5000000 -0.4618112), wk = 0.0050761 k( 182) = ( 0.5000000 0.5000000 -0.4809056), wk = 0.0050761 k( 183) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0050761 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050761 k( 185) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0050761 k( 186) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0050761 k( 187) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0050761 k( 188) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0050761 k( 189) = ( 0.0961538 0.0961538 0.4038461), wk = 0.0050761 k( 190) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0050761 k( 191) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0050761 k( 192) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0050761 k( 193) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0050761 k( 194) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0050761 k( 195) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0050761 k( 196) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0050761 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050761 Dense grid: 174879 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 137815 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.48 Mb ( 486, 200) NL pseudopotentials 2.02 Mb ( 243, 544) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2430) G-vector shells 0.01 Mb ( 1182) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 5.93 Mb ( 486, 800) Each subspace H/S matrix 0.27 Mb ( 133, 133) Each matrix 3.32 Mb ( 544, 2, 200) The potential is recalculated from file : ./Tl5Te3.save/charge-density.dat negative rho (up, down): 1.277E+02 0.000E+00 Starting wfc are 228 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 41.6 secs Computing kpt #: 2 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 80.3 secs Computing kpt #: 3 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 120.2 secs Computing kpt #: 4 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 158.7 secs Computing kpt #: 5 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 197.4 secs Computing kpt #: 6 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 235.6 secs Computing kpt #: 7 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 274.1 secs Computing kpt #: 8 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 312.9 secs Computing kpt #: 9 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 351.7 secs Computing kpt #: 10 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 389.5 secs Computing kpt #: 11 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 428.2 secs Computing kpt #: 12 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 466.7 secs Computing kpt #: 13 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 506.1 secs Computing kpt #: 14 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 545.3 secs Computing kpt #: 15 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 583.7 secs Computing kpt #: 16 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 622.0 secs Computing kpt #: 17 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 659.9 secs Computing kpt #: 18 c_bands: 21 eigenvalues not converged total cpu time spent up to now is 698.3 secs Computing kpt #: 19 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 737.2 secs Computing kpt #: 20 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 776.6 secs Computing kpt #: 21 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 814.9 secs Computing kpt #: 22 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 853.1 secs Computing kpt #: 23 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 891.4 secs Computing kpt #: 24 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 930.2 secs Computing kpt #: 25 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 969.3 secs Computing kpt #: 26 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 1007.4 secs Computing kpt #: 27 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 1046.3 secs Computing kpt #: 28 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 1084.7 secs Computing kpt #: 29 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 1123.4 secs Computing kpt #: 30 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 1162.3 secs Computing kpt #: 31 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1200.7 secs Computing kpt #: 32 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 1238.6 secs Computing kpt #: 33 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 1276.8 secs Computing kpt #: 34 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1314.9 secs Computing kpt #: 35 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1354.0 secs Computing kpt #: 36 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 1393.1 secs Computing kpt #: 37 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 1431.0 secs Computing kpt #: 38 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1469.4 secs Computing kpt #: 39 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 1507.1 secs Computing kpt #: 40 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 1545.8 secs Computing kpt #: 41 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 1584.5 secs Computing kpt #: 42 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1623.5 secs Computing kpt #: 43 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1661.5 secs Computing kpt #: 44 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 1700.7 secs Computing kpt #: 45 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 1738.8 secs Computing kpt #: 46 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1778.1 secs Computing kpt #: 47 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 1817.2 secs Computing kpt #: 48 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 1855.6 secs Computing kpt #: 49 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 1893.9 secs Computing kpt #: 50 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 1932.2 secs Computing kpt #: 51 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 1971.4 secs Computing kpt #: 52 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 2010.9 secs Computing kpt #: 53 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 2049.5 secs Computing kpt #: 54 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 2087.5 secs Computing kpt #: 55 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 2126.0 secs Computing kpt #: 56 c_bands: 10 eigenvalues not converged total cpu time spent up to now is 2164.8 secs Computing kpt #: 57 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 2203.7 secs Computing kpt #: 58 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 2243.0 secs Computing kpt #: 59 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 2281.6 secs Computing kpt #: 60 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 2320.2 secs Computing kpt #: 61 c_bands: 15 eigenvalues not converged total cpu time spent up to now is 2358.3 secs Computing kpt #: 62 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 2397.0 secs Computing kpt #: 63 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 2435.8 secs Computing kpt #: 64 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 2474.4 secs Computing kpt #: 65 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 2512.8 secs Computing kpt #: 66 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 2551.0 secs Computing kpt #: 67 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 2590.0 secs Computing kpt #: 68 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 2629.0 secs Computing kpt #: 69 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 2668.1 secs Computing kpt #: 70 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 2706.4 secs Computing kpt #: 71 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 2744.7 secs Computing kpt #: 72 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 2782.8 secs Computing kpt #: 73 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 2821.1 secs Computing kpt #: 74 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 2860.2 secs Computing kpt #: 75 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 2899.7 secs Computing kpt #: 76 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 2938.5 secs Computing kpt #: 77 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 2976.8 secs Computing kpt #: 78 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3015.2 secs Computing kpt #: 79 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 3053.6 secs Computing kpt #: 80 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3092.8 secs Computing kpt #: 81 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3131.8 secs Computing kpt #: 82 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3170.8 secs Computing kpt #: 83 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3209.7 secs Computing kpt #: 84 c_bands: 21 eigenvalues not converged total cpu time spent up to now is 3247.7 secs Computing kpt #: 85 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3285.7 secs Computing kpt #: 86 c_bands: 21 eigenvalues not converged total cpu time spent up to now is 3324.0 secs Computing kpt #: 87 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3363.1 secs Computing kpt #: 88 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 3402.3 secs Computing kpt #: 89 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3440.8 secs Computing kpt #: 90 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3480.2 secs Computing kpt #: 91 c_bands: 22 eigenvalues not converged total cpu time spent up to now is 3518.4 secs Computing kpt #: 92 c_bands: 21 eigenvalues not converged total cpu time spent up to now is 3557.2 secs Computing kpt #: 93 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3596.1 secs Computing kpt #: 94 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3634.6 secs Computing kpt #: 95 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 3673.3 secs Computing kpt #: 96 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3711.3 secs Computing kpt #: 97 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3749.9 secs Computing kpt #: 98 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 3789.7 secs Computing kpt #: 99 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 3828.6 secs Computing kpt #: 100 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 3866.4 secs Computing kpt #: 101 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 3905.0 secs Computing kpt #: 102 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 3943.3 secs Computing kpt #: 103 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 3982.6 secs Computing kpt #: 104 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 4021.6 secs Computing kpt #: 105 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 4060.6 secs Computing kpt #: 106 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 4099.8 secs Computing kpt #: 107 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 4138.2 secs Computing kpt #: 108 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 4177.0 secs Computing kpt #: 109 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 4216.2 secs Computing kpt #: 110 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 4255.3 secs Computing kpt #: 111 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4294.2 secs Computing kpt #: 112 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4332.4 secs Computing kpt #: 113 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4371.0 secs Computing kpt #: 114 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4409.6 secs Computing kpt #: 115 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 4448.2 secs Computing kpt #: 116 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 4487.2 secs Computing kpt #: 117 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 4526.4 secs Computing kpt #: 118 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 4565.3 secs Computing kpt #: 119 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4603.8 secs Computing kpt #: 120 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 4642.1 secs Computing kpt #: 121 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 4681.5 secs Computing kpt #: 122 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4720.7 secs Computing kpt #: 123 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 4759.6 secs Computing kpt #: 124 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 4798.5 secs Computing kpt #: 125 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 4836.4 secs Computing kpt #: 126 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 4874.9 secs Computing kpt #: 127 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4912.9 secs Computing kpt #: 128 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 4951.6 secs Computing kpt #: 129 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 4991.4 secs Computing kpt #: 130 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 5030.0 secs Computing kpt #: 131 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 5068.4 secs Computing kpt #: 132 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 5106.6 secs Computing kpt #: 133 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5145.3 secs Computing kpt #: 134 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5184.9 secs Computing kpt #: 135 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 5224.3 secs Computing kpt #: 136 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5262.5 secs Computing kpt #: 137 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5302.4 secs Computing kpt #: 138 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5341.4 secs Computing kpt #: 139 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 5380.8 secs Computing kpt #: 140 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 5419.9 secs Computing kpt #: 141 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 5458.0 secs Computing kpt #: 142 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5496.5 secs Computing kpt #: 143 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5534.8 secs Computing kpt #: 144 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5573.9 secs Computing kpt #: 145 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5613.4 secs Computing kpt #: 146 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 5652.3 secs Computing kpt #: 147 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 5691.1 secs Computing kpt #: 148 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 5729.6 secs Computing kpt #: 149 c_bands: 20 eigenvalues not converged total cpu time spent up to now is 5768.3 secs Computing kpt #: 150 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 5807.4 secs Computing kpt #: 151 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 5846.5 secs Computing kpt #: 152 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 5886.1 secs Computing kpt #: 153 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 5924.5 secs Computing kpt #: 154 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 5963.5 secs Computing kpt #: 155 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 6001.6 secs Computing kpt #: 156 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6040.7 secs Computing kpt #: 157 c_bands: 15 eigenvalues not converged total cpu time spent up to now is 6080.1 secs Computing kpt #: 158 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 6119.8 secs Computing kpt #: 159 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 6157.9 secs Computing kpt #: 160 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6197.8 secs Computing kpt #: 161 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 6235.9 secs Computing kpt #: 162 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 6274.9 secs Computing kpt #: 163 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 6314.1 secs Computing kpt #: 164 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 6353.4 secs Computing kpt #: 165 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6391.9 secs Computing kpt #: 166 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6430.5 secs Computing kpt #: 167 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 6469.4 secs Computing kpt #: 168 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 6509.0 secs Computing kpt #: 169 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6548.5 secs Computing kpt #: 170 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6586.9 secs Computing kpt #: 171 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6625.7 secs Computing kpt #: 172 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 6664.1 secs Computing kpt #: 173 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6703.5 secs Computing kpt #: 174 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 6742.9 secs Computing kpt #: 175 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6783.0 secs Computing kpt #: 176 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6821.4 secs Computing kpt #: 177 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6859.9 secs Computing kpt #: 178 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 6898.8 secs Computing kpt #: 179 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6938.1 secs Computing kpt #: 180 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 6977.4 secs Computing kpt #: 181 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 7015.8 secs Computing kpt #: 182 c_bands: 16 eigenvalues not converged total cpu time spent up to now is 7054.5 secs Computing kpt #: 183 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 7093.6 secs Computing kpt #: 184 c_bands: 13 eigenvalues not converged total cpu time spent up to now is 7132.4 secs Computing kpt #: 185 c_bands: 17 eigenvalues not converged total cpu time spent up to now is 7171.4 secs Computing kpt #: 186 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 7210.8 secs Computing kpt #: 187 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 7248.8 secs Computing kpt #: 188 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 7287.4 secs Computing kpt #: 189 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 7325.9 secs Computing kpt #: 190 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 7365.0 secs Computing kpt #: 191 c_bands: 21 eigenvalues not converged total cpu time spent up to now is 7404.7 secs Computing kpt #: 192 c_bands: 23 eigenvalues not converged total cpu time spent up to now is 7443.3 secs Computing kpt #: 193 c_bands: 18 eigenvalues not converged total cpu time spent up to now is 7482.0 secs Computing kpt #: 194 c_bands: 21 eigenvalues not converged total cpu time spent up to now is 7520.1 secs Computing kpt #: 195 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 7559.4 secs Computing kpt #: 196 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 7598.6 secs Computing kpt #: 197 c_bands: 19 eigenvalues not converged total cpu time spent up to now is 7638.3 secs ethr = 6.02E-09, avg # of iterations =120.0 total cpu time spent up to now is 7638.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17205 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4446-380.4446-281.7655-281.7655 -251.6802-251.6802-140.0438-140.0438-127.1987-127.1987-117.2872-117.2872 -116.8052-116.8052-110.2830-110.2830 -86.9696 -86.9696 -80.0735 -80.0735 -76.3417 -76.3417 -73.5885 -73.5885 -68.5570 -68.5570 -63.3618 -63.3618 -57.5790 -57.5790 -55.3065 -55.3065 -46.0514 -46.0514 -43.7556 -43.7556 -41.2282 -41.2282 -33.1968 -33.1968 -29.2063 -29.2063 -21.3085 -21.3085 -18.8408 -18.8408 -17.1590 -17.1590 -14.5477 -14.5477 -13.5279 -13.5279 -12.6203 -12.6203 -10.3276 -10.3276 -9.2708 -9.2708 -8.5263 -8.5263 -7.9297 -7.9297 -7.7486 -7.7486 -7.5943 -7.5943 -7.3629 -7.3629 -7.2188 -7.2188 -7.0494 -7.0494 -6.7022 -6.7022 -6.2927 -6.2927 -3.5509 -3.5509 -3.0520 -3.0520 -2.9422 -2.9422 -2.6563 -2.6563 -2.4611 -2.4611 -1.9161 -1.9161 -1.3234 -1.3234 -1.2115 -1.2115 -1.0073 -1.0073 -0.4785 -0.4785 -0.3779 -0.3779 0.5807 0.5807 0.7394 0.7394 1.0632 1.0632 1.2414 1.2414 1.4208 1.4208 1.6222 1.6222 1.7990 1.7990 1.9127 1.9127 2.0403 2.0403 2.2735 2.2735 2.5173 2.5173 2.8201 2.8201 2.9103 2.9103 3.2537 3.2537 3.3737 3.3737 3.6349 3.6349 3.7653 3.7653 3.8255 3.8255 4.3015 4.3015 4.4744 4.4744 4.6528 4.6528 4.7768 4.7768 4.9209 4.9209 5.1867 5.1867 5.2819 5.2819 5.7153 5.7153 5.9050 5.9050 6.1656 6.1656 6.6495 6.6495 6.9164 6.9164 7.2737 7.2737 7.4795 7.4795 7.7004 7.7004 7.9036 7.9036 8.0833 8.0833 8.2474 8.2474 8.3420 8.3421 8.4679 8.4679 8.6516 8.6516 8.8016 8.8021 8.8776 8.8784 k = 0.0000 0.0000 0.0282 ( 17195 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4340-380.4305-281.7598-281.7583 -251.6765-251.6741-140.0402-140.0390-127.1692-127.1637-117.2842-117.2831 -116.8042-116.8033-110.2821-110.2812 -86.9685 -86.9634 -80.0621 -80.0619 -76.3404 -76.3398 -73.5872 -73.5867 -68.5424 -68.5388 -63.3511 -63.3487 -57.5787 -57.5784 -55.3011 -55.3007 -46.0485 -46.0450 -43.7353 -43.7322 -41.2222 -41.2220 -33.1931 -33.1912 -29.2005 -29.1991 -21.3167 -21.3102 -18.8363 -18.8353 -17.1563 -17.1561 -14.5466 -14.5454 -13.5243 -13.5233 -12.6179 -12.6170 -10.3229 -10.3219 -9.2686 -9.2683 -8.5260 -8.5252 -7.9330 -7.9283 -7.7504 -7.7455 -7.5969 -7.5888 -7.3646 -7.3589 -7.2181 -7.2174 -7.0505 -7.0476 -6.7024 -6.7003 -6.2934 -6.2924 -3.5508 -3.5506 -3.0513 -3.0492 -2.9425 -2.9383 -2.6556 -2.6546 -2.4592 -2.4583 -1.9157 -1.9152 -1.3249 -1.3202 -1.2109 -1.2089 -1.0086 -1.0035 -0.4807 -0.4727 -0.3783 -0.3751 0.5760 0.5857 0.7334 0.7460 1.0565 1.0632 1.2280 1.2496 1.3963 1.4300 1.6038 1.6426 1.7881 1.8059 1.8888 1.9404 2.0328 2.0686 2.2613 2.2896 2.5067 2.5296 2.8114 2.8290 2.8988 2.9219 3.2430 3.2666 3.3678 3.3810 3.6266 3.6444 3.7510 3.7798 3.8195 3.8332 4.2960 4.3075 4.4668 4.4814 4.6505 4.6564 4.7717 4.7790 4.9178 4.9241 5.1805 5.1924 5.2761 5.2880 5.7139 5.7174 5.8952 5.9159 6.1606 6.1707 6.6461 6.6535 6.9157 6.9189 7.2614 7.2878 7.4684 7.4903 7.6934 7.7091 7.8971 7.9119 8.0752 8.0924 8.2412 8.2574 8.3366 8.3461 8.4612 8.4768 8.6457 8.6595 8.7980 8.8116 8.8767 8.8853 k = 0.0000 0.0000 0.0565 ( 17209 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4410-380.4404-281.7619-281.7592 -251.6816-251.6811-140.0485-140.0480-127.2034-127.2016-117.2911-117.2907 -116.8064-116.8061-110.2833-110.2828 -86.9724 -86.9684 -80.0802 -80.0802 -76.3418 -76.3417 -73.5886 -73.5885 -68.5561 -68.5553 -63.3686 -63.3666 -57.5788 -57.5786 -55.3108 -55.3106 -46.0549 -46.0527 -43.7324 -43.7288 -41.2319 -41.2318 -33.1996 -33.1990 -29.2079 -29.2075 -21.2863 -21.2826 -18.8424 -18.8421 -17.1616 -17.1614 -14.5497 -14.5492 -13.5286 -13.5283 -12.6216 -12.6213 -10.3225 -10.3218 -9.2729 -9.2725 -8.5251 -8.5237 -7.9394 -7.9303 -7.7520 -7.7425 -7.6014 -7.5854 -7.3687 -7.3581 -7.2202 -7.2182 -7.0528 -7.0470 -6.7020 -6.6979 -6.2949 -6.2930 -3.5525 -3.5516 -3.0554 -3.0509 -2.9461 -2.9376 -2.6567 -2.6549 -2.4619 -2.4609 -1.9165 -1.9153 -1.3281 -1.3185 -1.2122 -1.2076 -1.0129 -1.0033 -0.4803 -0.4640 -0.3770 -0.3707 0.5709 0.5903 0.7274 0.7533 1.0417 1.0570 1.2093 1.2508 1.3608 1.4194 1.5933 1.6613 1.7786 1.8056 1.8724 1.9597 2.0534 2.1074 2.2527 2.3080 2.4976 2.5425 2.8006 2.8346 2.8879 2.9332 3.2347 3.2802 3.3634 3.3889 3.6161 3.6505 3.7358 3.7917 3.8135 3.8401 4.2888 4.3119 4.4565 4.4852 4.6471 4.6591 4.7627 4.7776 4.9132 4.9252 5.1728 5.1964 5.2682 5.2921 5.7114 5.7181 5.8841 5.9253 6.1555 6.1752 6.6413 6.6560 6.9158 6.9220 7.2505 7.3021 7.4560 7.4988 7.6871 7.7182 7.8902 7.9193 8.0648 8.0987 8.2359 8.2666 8.3291 8.3472 8.4551 8.4846 8.6373 8.6634 8.7950 8.8242 8.8734 8.8889 k = 0.0000 0.0000 0.0847 ( 17185 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4327-380.4187-281.7512-281.7435 -251.6734-251.6667-140.0421-140.0404-127.1780-127.1471-117.2854-117.2841 -116.8019-116.7999-110.2786-110.2769 -86.9324 -86.9172 -80.0508 -80.0497 -76.3401 -76.3391 -73.5873 -73.5864 -68.5391 -68.5254 -63.3527 -63.3335 -57.5766 -57.5762 -55.2910 -55.2908 -46.0416 -46.0328 -43.7530 -43.7395 -41.2162 -41.2159 -33.1905 -33.1820 -29.1951 -29.1922 -21.2680 -21.2634 -18.8328 -18.8308 -17.1545 -17.1541 -14.5444 -14.5425 -13.5215 -13.5182 -12.6147 -12.6120 -10.3252 -10.3182 -9.2671 -9.2666 -8.5232 -8.5209 -7.9472 -7.9344 -7.7518 -7.7387 -7.6002 -7.5764 -7.3709 -7.3540 -7.2186 -7.2163 -7.0515 -7.0436 -6.6997 -6.6933 -6.2966 -6.2935 -3.5513 -3.5494 -3.0523 -3.0461 -2.9428 -2.9309 -2.6545 -2.6514 -2.4586 -2.4571 -1.9146 -1.9129 -1.3297 -1.3148 -1.2110 -1.2033 -1.0132 -0.9974 -0.4764 -0.4523 -0.3726 -0.3640 0.5652 0.5943 0.7215 0.7620 1.0186 1.0466 1.1869 1.2439 1.3199 1.3969 1.5926 1.6778 1.7736 1.8014 1.8647 1.9734 2.0895 2.1490 2.2537 2.3307 2.4949 2.5619 2.7914 2.8405 2.8806 2.9463 3.2303 3.2943 3.3636 3.3996 3.6096 3.6604 3.7240 3.8004 3.8151 3.8501 4.2824 4.3175 4.4458 4.4881 4.6453 4.6628 4.7506 4.7742 4.9090 4.9265 5.1655 5.2004 5.2615 5.2960 5.7101 5.7200 5.8747 5.9352 6.1515 6.1807 6.6382 6.6597 6.9180 6.9275 7.2425 7.3179 7.4449 7.5069 7.6834 7.7307 7.8863 7.9291 8.0569 8.1060 8.2350 8.2765 8.3229 8.3486 8.4529 8.4949 8.6353 8.6714 8.7971 8.8415 8.8776 8.9073 k = 0.0000 0.0000 0.1129 ( 17185 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4327-380.4172-281.7529-281.7419 -251.6719-251.6644-140.0405-140.0392-127.1629-127.1282-117.2842-117.2831 -116.8008-116.7985-110.2781-110.2759 -86.9366 -86.9136 -80.0479 -80.0470 -76.3397 -76.3386 -73.5869 -73.5860 -68.5391 -68.5233 -63.3502 -63.3286 -57.5772 -57.5767 -55.2918 -55.2914 -46.0443 -46.0303 -43.7395 -43.7242 -41.2147 -41.2142 -33.1890 -33.1792 -29.1968 -29.1940 -21.2731 -21.2570 -18.8337 -18.8318 -17.1553 -17.1549 -14.5447 -14.5428 -13.5220 -13.5182 -12.6149 -12.6113 -10.3199 -10.3108 -9.2674 -9.2666 -8.5206 -8.5176 -7.9572 -7.9416 -7.7514 -7.7356 -7.6013 -7.5696 -7.3738 -7.3524 -7.2201 -7.2167 -7.0527 -7.0420 -6.6965 -6.6884 -6.2990 -6.2951 -3.5519 -3.5496 -3.0528 -3.0448 -2.9454 -2.9292 -2.6549 -2.6515 -2.4589 -2.4567 -1.9141 -1.9118 -1.3322 -1.3134 -1.2101 -1.2001 -1.0168 -0.9959 -0.4706 -0.4386 -0.3652 -0.3551 0.5575 0.5960 0.7150 0.7718 0.9870 1.0340 1.1592 1.2222 1.2819 1.3747 1.5969 1.6904 1.7698 1.7960 1.8647 1.9868 2.1194 2.1823 2.2717 2.3547 2.4940 2.5795 2.7803 2.8411 2.8749 2.9572 3.2284 3.3046 3.3698 3.4114 3.5997 3.6660 3.7110 3.7981 3.8243 3.8582 4.2745 4.3218 4.4333 4.4885 4.6419 4.6644 4.7353 4.7692 4.9043 4.9273 5.1571 5.2028 5.2540 5.2985 5.7076 5.7203 5.8650 5.9445 6.1468 6.1849 6.6328 6.6612 6.9209 6.9333 7.2366 7.3324 7.4331 7.5119 7.6796 7.7429 7.8820 7.9373 8.0477 8.1115 8.2347 8.2801 8.3189 8.3488 8.4506 8.5032 8.6308 8.6748 8.7944 8.8547 8.8796 8.9253 k = 0.0000 0.0000 0.1412 ( 17167 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4062-380.3968-281.7381-281.7323 -251.6570-251.6531-140.0351-140.0340-127.0904-127.0670-117.2798-117.2788 -116.7950-116.7938-110.2728-110.2719 -86.9016 -86.8878 -80.0246 -80.0242 -76.3365 -76.3355 -73.5841 -73.5832 -68.5075 -68.4982 -63.3240 -63.3076 -57.5762 -57.5756 -55.2810 -55.2805 -46.0322 -46.0232 -43.6907 -43.6728 -41.2033 -41.2028 -33.1770 -33.1706 -29.1887 -29.1885 -21.2558 -21.2419 -18.8282 -18.8281 -17.1489 -17.1485 -14.5389 -14.5384 -13.5137 -13.5116 -12.6083 -12.6061 -10.3007 -10.2924 -9.2629 -9.2614 -8.5169 -8.5133 -7.9680 -7.9503 -7.7497 -7.7322 -7.5995 -7.5602 -7.3741 -7.3479 -7.2191 -7.2147 -7.0530 -7.0398 -6.6917 -6.6818 -6.3014 -6.2965 -3.5502 -3.5485 -3.0495 -3.0403 -2.9449 -2.9252 -2.6540 -2.6494 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3.3077 3.4011 3.4467 3.5860 3.6735 3.6883 3.7868 3.8419 3.8737 4.2582 4.3276 4.4077 4.4819 4.6280 4.6590 4.7045 4.7621 4.8938 4.9289 5.1404 5.2050 5.2410 5.3011 5.7028 5.7207 5.8443 5.9599 6.1377 6.1924 6.6206 6.6622 6.9282 6.9463 7.2313 7.3573 7.4131 7.5158 7.6745 7.7703 7.8748 7.9497 8.0317 8.1195 8.2309 8.2673 8.3203 8.3575 8.4503 8.5223 8.6256 8.6813 8.7904 8.8641 8.9087 8.9882 k = 0.0000 0.0000 0.1976 ( 17207 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4382-380.4324-281.7588-281.7586 -251.6753-251.6729-140.0487-140.0480-127.2008-127.1849-117.2913-117.2904 -116.8030-116.8020-110.2801-110.2797 -86.9627 -86.9579 -80.0791 -80.0786 -76.3418 -76.3409 -73.5891 -73.5882 -68.5638 -68.5573 -63.3702 -63.3589 -57.5806 -57.5795 -55.3152 -55.3144 -46.0591 -46.0551 -43.7148 -43.7045 -41.2333 -41.2327 -33.2013 -33.1967 -29.2123 -29.2113 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8.6817 8.7868 8.8609 8.9239 9.0181 k = 0.0000 0.0000 0.2259 ( 17215 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4453-380.4345-281.7615-281.7603 -251.6809-251.6761-140.0534-140.0530-127.2455-127.2185-117.2949-117.2944 -116.8059-116.8043-110.2816-110.2813 -86.9808 -86.9735 -80.0915 -80.0909 -76.3433 -76.3423 -73.5904 -73.5895 -68.5808 -68.5699 -63.3850 -63.3662 -57.5813 -57.5804 -55.3228 -55.3223 -46.0660 -46.0610 -43.7268 -43.7086 -41.2393 -41.2388 -33.2075 -33.2004 -29.2159 -29.2148 -21.2769 -21.2720 -18.8496 -18.8489 -17.1588 -17.1582 -14.5484 -14.5476 -13.5327 -13.5304 -12.6261 -12.6240 -10.3243 -10.3164 -9.2702 -9.2683 -8.5034 -8.4979 -8.0055 -7.9846 -7.7490 -7.7288 -7.6014 -7.5409 -7.3889 -7.3486 -7.2275 -7.2205 -7.0616 -7.0431 -6.6749 -6.6606 -6.3098 -6.3023 -3.5558 -3.5535 -3.0616 -3.0484 -2.9577 -2.9294 -2.6594 -2.6536 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8.6888 8.7915 8.8564 8.9615 9.1102 k = 0.0000 0.0000 0.3106 ( 17199 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4391-380.4262-281.7549-281.7503 -251.6750-251.6693-140.0484-140.0481-127.2280-127.1984-117.2904-117.2899 -116.8027-116.8012-110.2787-110.2776 -86.9560 -86.9449 -80.0730 -80.0724 -76.3421 -76.3413 -73.5896 -73.5889 -68.5685 -68.5566 -63.3719 -63.3513 -57.5798 -57.5794 -55.3113 -55.3109 -46.0580 -46.0509 -43.7481 -43.7302 -41.2294 -41.2288 -33.1999 -33.1922 -29.2067 -29.2056 -21.2685 -21.2631 -18.8425 -18.8419 -17.1534 -17.1531 -14.5442 -14.5435 -13.5275 -13.5250 -12.6221 -12.6200 -10.3281 -10.3195 -9.2658 -9.2644 -8.4852 -8.4782 -8.0387 -8.0177 -7.7498 -7.7269 -7.6005 -7.5209 -7.3983 -7.3449 -7.2307 -7.2226 -7.0653 -7.0448 -6.6532 -6.6368 -6.3118 -6.3022 -3.5574 -3.5540 -3.0577 -3.0437 -2.9568 -2.9251 -2.6586 -2.6512 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3.3259 3.3939 3.5708 3.6312 3.6590 3.7108 3.7725 3.8570 3.8855 4.2815 4.3430 4.3669 4.4233 4.5553 4.6064 4.6952 4.8128 4.8499 4.9478 5.1021 5.1960 5.2329 5.2968 5.6978 5.7228 5.7933 5.9707 6.1335 6.2045 6.5754 6.6436 6.9508 6.9905 7.2439 7.3654 7.4364 7.5028 7.6772 7.8079 7.8683 7.9256 8.0164 8.1422 8.1725 8.2339 8.3166 8.3867 8.4769 8.5872 8.6261 8.6915 8.8043 8.8561 8.9655 9.1504 k = 0.0000 0.0000 0.3670 ( 17211 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4444-380.4432-281.7590-281.7588 -251.6776-251.6773-140.0509-140.0492-127.2505-127.2444-117.2921-117.2911 -116.8044-116.8042-110.2803-110.2799 -86.9841 -86.9834 -80.0911 -80.0904 -76.3436 -76.3433 -73.5910 -73.5907 -68.5822 -68.5811 -63.3809 -63.3733 -57.5823 -57.5817 -55.3240 -55.3235 -46.0659 -46.0646 -43.7571 -43.7428 -41.2394 -41.2389 -33.2057 -33.2043 -29.2139 -29.2112 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8.6929 8.8136 8.8573 8.9645 9.1494 k = 0.0000 0.0000 0.3953 ( 17214 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4442-380.4408-281.7574-281.7567 -251.6776-251.6760-140.0533-140.0513-127.2379-127.2344-117.2945-117.2930 -116.8041-116.8037-110.2797-110.2795 -86.9777 -86.9763 -80.0935 -80.0929 -76.3435 -76.3430 -73.5908 -73.5903 -68.5799 -68.5778 -63.3791 -63.3782 -57.5818 -57.5816 -55.3252 -55.3248 -46.0664 -46.0640 -43.7310 -43.7247 -41.2410 -41.2407 -33.2057 -33.2051 -29.2166 -29.2141 -21.2699 -21.2591 -18.8495 -18.8477 -17.1591 -17.1585 -14.5497 -14.5477 -13.5323 -13.5314 -12.6271 -12.6268 -10.3222 -10.3196 -9.2701 -9.2691 -8.4661 -8.4589 -8.0637 -8.0442 -7.7549 -7.7284 -7.6065 -7.5159 -7.4084 -7.3502 -7.2364 -7.2274 -7.0711 -7.0508 -6.6336 -6.6183 -6.3041 -6.2943 -3.5610 -3.5577 -3.0605 -3.0464 -2.9598 -2.9281 -2.6613 -2.6536 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8.6994 8.8366 8.8658 8.9563 9.1455 k = 0.0000 0.0000 0.4800 ( 17246 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4778-380.4748-281.7783-281.7774 -251.6952-251.6932-140.0635-140.0628-127.3525-127.3449-117.3030-117.3024 -116.8111-116.8105-110.2861-110.2856 -87.0242 -87.0241 -80.1358 -80.1354 -76.3485 -76.3480 -73.5956 -73.5950 -68.6336 -68.6304 -63.4221 -63.4162 -57.5848 -57.5845 -55.3512 -55.3508 -46.0885 -46.0879 -43.7898 -43.7834 -41.2633 -41.2630 -33.2255 -33.2232 -29.2316 -29.2308 -21.2881 -21.2851 -18.8608 -18.8604 -17.1676 -17.1675 -14.5560 -14.5556 -13.5456 -13.5449 -12.6381 -12.6378 -10.3459 -10.3436 -9.2762 -9.2753 -8.4503 -8.4439 -8.0769 -8.0607 -7.7613 -7.7330 -7.6160 -7.5290 -7.4105 -7.3572 -7.2443 -7.2363 -7.0783 -7.0615 -6.6196 -6.6077 -6.2874 -6.2792 -3.5660 -3.5629 -3.0655 -3.0538 -2.9629 -2.9360 -2.6637 -2.6572 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3.1662 3.3672 3.4662 3.5886 3.6582 3.6837 3.7626 3.7851 3.8645 4.3235 4.3506 4.4973 4.5292 4.6757 4.7038 4.7473 4.8153 4.9154 4.9988 5.0938 5.1897 5.2448 5.2763 5.6982 5.7090 5.7905 5.9227 6.1623 6.2078 6.5362 6.5963 6.9666 7.0074 7.2539 7.3838 7.4663 7.5588 7.6833 7.7818 7.8634 7.9178 7.9790 8.1015 8.1821 8.2451 8.3135 8.3756 8.4848 8.5836 8.6447 8.7061 8.8409 8.8683 8.9567 9.1397 k = 0.0000 0.0000 0.5365 ( 17276 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5019-380.4991-281.8070-281.8036 -251.7107-251.7088-140.0714-140.0710-127.4293-127.4237-117.3097-117.3093 -116.8184-116.8176-110.2946-110.2939 -87.0885 -87.0866 -80.1738 -80.1734 -76.3522 -76.3514 -73.5988 -73.5981 -68.6767 -68.6740 -63.4537 -63.4492 -57.5884 -57.5878 -55.3761 -55.3756 -46.1110 -46.1106 -43.8020 -43.7946 -41.2818 -41.2816 -33.2408 -33.2390 -29.2460 -29.2458 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8.7095 8.8409 8.8666 8.9688 9.1295 k = 0.0000 0.0000 0.5647 ( 17264 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4929-380.4845-281.8049-281.7955 -251.7035-251.6997-140.0692-140.0673-127.4020-127.3865-117.3078-117.3063 -116.8147-116.8138-110.2921-110.2904 -87.0656 -87.0503 -80.1581 -80.1576 -76.3505 -76.3498 -73.5974 -73.5968 -68.6648 -68.6571 -63.4408 -63.4333 -57.5871 -57.5867 -55.3666 -55.3663 -46.1071 -46.0993 -43.7881 -43.7841 -41.2738 -41.2735 -33.2349 -33.2306 -29.2416 -29.2389 -21.3387 -21.3321 -18.8682 -18.8663 -17.1719 -17.1715 -14.5604 -14.5584 -13.5545 -13.5523 -12.6448 -12.6427 -10.3518 -10.3488 -9.2795 -9.2785 -8.4387 -8.4345 -8.0791 -8.0677 -7.7639 -7.7396 -7.6214 -7.5562 -7.4036 -7.3658 -7.2479 -7.2426 -7.0832 -7.0718 -6.6105 -6.6031 -6.2680 -6.2625 -3.5676 -3.5655 -3.0675 -3.0595 -2.9628 -2.9436 -2.6658 -2.6605 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3.0260 3.3804 3.4292 3.5765 3.6370 3.6822 3.7358 3.7956 3.8575 4.3248 4.3450 4.5312 4.5409 4.7083 4.7455 4.8306 4.8688 4.9684 5.0288 5.1142 5.1874 5.2606 5.2775 5.6986 5.7025 5.8068 5.8886 6.1764 6.2055 6.5324 6.5718 6.9767 7.0043 7.2707 7.3538 7.5137 7.5987 7.6770 7.7686 7.8643 7.9077 8.0070 8.0806 8.1843 8.2393 8.3257 8.3801 8.4739 8.5526 8.6628 8.7137 8.8419 8.8595 8.9803 9.0929 k = 0.0000 0.0000 0.6212 ( 17270 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4992-380.4902-281.8119-281.8076 -251.7080-251.7044-140.0685-140.0680-127.4286-127.4121-117.3071-117.3066 -116.8173-116.8165-110.2946-110.2940 -87.0858 -87.0794 -80.1644 -80.1640 -76.3515 -76.3505 -73.5982 -73.5974 -68.6775 -68.6712 -63.4468 -63.4369 -57.5883 -57.5879 -55.3745 -55.3742 -46.1131 -46.1102 -43.8032 -43.7969 -41.2758 -41.2753 -33.2365 -33.2329 -29.2430 -29.2421 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8.7126 8.8432 8.8560 8.9939 9.0754 k = 0.0000 0.0000 0.6494 ( 17258 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4850-380.4784-281.8077-281.7993 -251.7000-251.6972-140.0653-140.0639-127.3856-127.3733-117.3044-117.3033 -116.8140-116.8132-110.2924-110.2910 -87.0659 -87.0518 -80.1486 -80.1481 -76.3494 -76.3487 -73.5964 -73.5958 -68.6591 -68.6528 -63.4306 -63.4245 -57.5871 -57.5866 -55.3638 -55.3635 -46.1063 -46.0987 -43.7817 -43.7770 -41.2671 -41.2669 -33.2291 -33.2254 -29.2360 -29.2336 -21.3678 -21.3606 -18.8641 -18.8624 -17.1697 -17.1693 -14.5587 -14.5569 -13.5528 -13.5508 -12.6419 -12.6401 -10.3519 -10.3491 -9.2780 -9.2768 -8.4322 -8.4305 -8.0751 -8.0703 -7.7598 -7.7481 -7.6149 -7.5859 -7.3916 -7.3754 -7.2478 -7.2456 -7.0822 -7.0774 -6.6051 -6.6023 -6.2537 -6.2515 -3.5671 -3.5664 -3.0638 -3.0602 -2.9576 -2.9481 -2.6644 -2.6609 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2.9719 3.3966 3.4072 3.5966 3.6151 3.6920 3.7049 3.8271 3.8434 4.3320 4.3375 4.5445 4.5470 4.7262 4.7366 4.8844 4.8959 5.0130 5.0296 5.1510 5.1708 5.2814 5.2865 5.7004 5.7015 5.8340 5.8555 6.1921 6.1997 6.5412 6.5517 6.9885 6.9960 7.2977 7.3194 7.5627 7.5887 7.7085 7.7367 7.8779 7.8897 8.0478 8.0650 8.2021 8.2197 8.3491 8.3669 8.4889 8.5123 8.6887 8.7041 8.8468 8.8515 9.0170 9.0481 k = 0.0000 0.0000 0.7059 ( 17222 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4522-380.4522-281.7813-281.7813 -251.6811-251.6811-140.0521-140.0521-127.2593-127.2593-117.2938-117.2938 -116.8052-116.8052-110.2845-110.2845 -86.9867 -86.9867 -80.0993 -80.0993 -76.3440 -76.3440 -73.5913 -73.5913 -68.5983 -68.5983 -63.3841 -63.3841 -57.5827 -57.5827 -55.3357 -55.3357 -46.0788 -46.0788 -43.7457 -43.7457 -41.2413 -41.2413 -33.2056 -33.2056 -29.2159 -29.2159 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8.6600 8.7938 8.8161 8.8742 8.8871 k = 0.0000 0.0000 0.0000 ( 17205 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4446-380.4446-281.7655-281.7655 -251.6802-251.6802-140.0438-140.0438-127.1987-127.1987-117.2872-117.2872 -116.8052-116.8052-110.2830-110.2830 -86.9696 -86.9696 -80.0735 -80.0735 -76.3417 -76.3417 -73.5885 -73.5885 -68.5570 -68.5570 -63.3618 -63.3618 -57.5790 -57.5790 -55.3065 -55.3065 -46.0514 -46.0514 -43.7556 -43.7556 -41.2282 -41.2282 -33.1968 -33.1968 -29.2063 -29.2063 -21.3085 -21.3085 -18.8408 -18.8408 -17.1590 -17.1590 -14.5477 -14.5477 -13.5279 -13.5279 -12.6203 -12.6203 -10.3276 -10.3276 -9.2708 -9.2708 -8.5263 -8.5263 -7.9297 -7.9297 -7.7486 -7.7486 -7.5943 -7.5943 -7.3629 -7.3629 -7.2188 -7.2188 -7.0494 -7.0494 -6.7022 -6.7022 -6.2927 -6.2927 -3.5509 -3.5509 -3.0520 -3.0520 -2.9422 -2.9422 -2.6563 -2.6563 -2.4611 -2.4611 -1.9161 -1.9161 -1.3234 -1.3234 -1.2115 -1.2115 -1.0073 -1.0073 -0.4785 -0.4785 -0.3779 -0.3779 0.5807 0.5807 0.7394 0.7394 1.0632 1.0632 1.2414 1.2414 1.4208 1.4208 1.6222 1.6222 1.7990 1.7990 1.9127 1.9127 2.0403 2.0403 2.2735 2.2735 2.5173 2.5173 2.8201 2.8201 2.9103 2.9103 3.2537 3.2537 3.3737 3.3737 3.6349 3.6349 3.7653 3.7653 3.8255 3.8255 4.3015 4.3015 4.4744 4.4744 4.6528 4.6528 4.7768 4.7768 4.9209 4.9209 5.1867 5.1867 5.2819 5.2819 5.7153 5.7153 5.9050 5.9050 6.1656 6.1656 6.6495 6.6495 6.9164 6.9164 7.2737 7.2737 7.4795 7.4795 7.7004 7.7004 7.9036 7.9036 8.0833 8.0833 8.2474 8.2474 8.3420 8.3421 8.4679 8.4681 8.6516 8.6523 8.8017 8.8031 8.8774 8.8832 k = 0.0000 0.0000 0.0000 ( 17205 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4446-380.4446-281.7655-281.7655 -251.6802-251.6802-140.0438-140.0438-127.1987-127.1987-117.2872-117.2872 -116.8052-116.8052-110.2830-110.2830 -86.9696 -86.9696 -80.0735 -80.0735 -76.3417 -76.3417 -73.5885 -73.5885 -68.5570 -68.5570 -63.3618 -63.3618 -57.5790 -57.5790 -55.3065 -55.3065 -46.0514 -46.0514 -43.7556 -43.7556 -41.2282 -41.2282 -33.1968 -33.1968 -29.2063 -29.2063 -21.3085 -21.3085 -18.8408 -18.8408 -17.1590 -17.1590 -14.5477 -14.5477 -13.5279 -13.5279 -12.6203 -12.6203 -10.3276 -10.3276 -9.2708 -9.2708 -8.5263 -8.5263 -7.9297 -7.9297 -7.7486 -7.7486 -7.5943 -7.5943 -7.3629 -7.3629 -7.2188 -7.2188 -7.0494 -7.0494 -6.7022 -6.7022 -6.2927 -6.2927 -3.5509 -3.5509 -3.0520 -3.0520 -2.9422 -2.9422 -2.6563 -2.6563 -2.4611 -2.4611 -1.9161 -1.9161 -1.3234 -1.3234 -1.2115 -1.2115 -1.0073 -1.0073 -0.4785 -0.4785 -0.3779 -0.3779 0.5807 0.5807 0.7394 0.7394 1.0632 1.0632 1.2414 1.2414 1.4208 1.4208 1.6222 1.6222 1.7990 1.7990 1.9127 1.9127 2.0403 2.0403 2.2735 2.2735 2.5173 2.5173 2.8201 2.8201 2.9103 2.9103 3.2537 3.2537 3.3737 3.3737 3.6349 3.6349 3.7653 3.7653 3.8255 3.8255 4.3015 4.3015 4.4744 4.4744 4.6528 4.6528 4.7768 4.7768 4.9209 4.9209 5.1867 5.1867 5.2819 5.2819 5.7153 5.7153 5.9050 5.9050 6.1656 6.1656 6.6495 6.6495 6.9164 6.9164 7.2737 7.2737 7.4795 7.4795 7.7004 7.7004 7.9036 7.9036 8.0833 8.0833 8.2474 8.2474 8.3421 8.3421 8.4679 8.4679 8.6516 8.6517 8.8018 8.8033 8.8772 8.8812 k = 0.0200 0.0201-0.0000 ( 17185 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4287-380.4228-281.7339-281.7337 -251.6732-251.6699-140.0384-140.0383-127.1449-127.1332-117.2828-117.2826 -116.8021-116.8010-110.2766-110.2763 -86.9403 -86.9403 -80.0478 -80.0475 -76.3395 -76.3389 -73.5864 -73.5859 -68.5241 -68.5188 -63.3433 -63.3363 -57.5769 -57.5767 -55.2953 -55.2952 -46.0390 -46.0388 -43.7358 -43.7317 -41.2151 -41.2148 -33.1869 -33.1837 -29.1980 -29.1965 -21.2427 -21.2424 -18.8346 -18.8335 -17.1549 -17.1547 -14.5446 -14.5431 -13.5194 -13.5185 -12.6133 -12.6127 -10.3172 -10.3146 -9.2678 -9.2674 -8.5265 -8.5254 -7.9314 -7.9260 -7.7505 -7.7459 -7.5931 -7.5918 -7.3615 -7.3591 -7.2182 -7.2160 -7.0497 -7.0472 -6.7024 -6.7007 -6.2927 -6.2919 -3.5504 -3.5499 -3.0493 -3.0477 -2.9403 -2.9361 -2.6561 -2.6510 -2.4576 -2.4563 -1.9147 -1.9139 -1.3215 -1.3184 -1.2121 -1.2056 -1.0079 -1.0000 -0.4805 -0.4759 -0.3789 -0.3760 0.5789 0.5835 0.7364 0.7428 1.0609 1.0655 1.2369 1.2463 1.4173 1.4246 1.6196 1.6249 1.7955 1.8026 1.9081 1.9180 2.0394 2.0420 2.2730 2.2744 2.5138 2.5206 2.8174 2.8238 2.9065 2.9138 3.2493 3.2588 3.3673 3.3816 3.6334 3.6381 3.7592 3.7703 3.8218 3.8322 4.2955 4.3093 4.4710 4.4806 4.6409 4.6663 4.7716 4.7830 4.9190 4.9243 5.1800 5.1932 5.2796 5.2869 5.7128 5.7194 5.8991 5.9128 6.1637 6.1702 6.6414 6.6557 6.9060 6.9289 7.2630 7.2858 7.4767 7.4831 7.6889 7.7148 7.8995 7.9103 8.0802 8.0905 8.2448 8.2513 8.3329 8.3575 8.4666 8.4734 8.6450 8.6641 8.7970 8.8139 8.8701 8.8942 k = 0.0400 0.0401-0.0000 ( 17165 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4059-380.3984-281.7277-281.7276 -251.6594-251.6556-140.0340-140.0335-127.0843-127.0676-117.2791-117.2786 -116.7963-116.7949-110.2726-110.2718 -86.8975 -86.8971 -80.0203 -80.0198 -76.3363 -76.3355 -73.5837 -73.5830 -68.4987 -68.4913 -63.3183 -63.3078 -57.5750 -57.5747 -55.2742 -55.2741 -46.0208 -46.0206 -43.6973 -43.6902 -41.2006 -41.2004 -33.1747 -33.1694 -29.1877 -29.1855 -21.2339 -21.2336 -18.8272 -18.8257 -17.1491 -17.1488 -14.5399 -14.5378 -13.5119 -13.5102 -12.6061 -12.6050 -10.3017 -10.2964 -9.2632 -9.2629 -8.5267 -8.5246 -7.9326 -7.9220 -7.7523 -7.7434 -7.5912 -7.5889 -7.3604 -7.3560 -7.2186 -7.2143 -7.0488 -7.0438 -6.7026 -6.6992 -6.2925 -6.2910 -3.5489 -3.5476 -3.0463 -3.0425 -2.9389 -2.9299 -2.6571 -2.6472 -2.4546 -2.4524 -1.9132 -1.9108 -1.3210 -1.3154 -1.2126 -1.2005 -1.0092 -0.9945 -0.4826 -0.4736 -0.3799 -0.3739 0.5773 0.5865 0.7334 0.7463 1.0581 1.0674 1.2325 1.2512 1.4136 1.4277 1.6172 1.6275 1.7919 1.8059 1.9039 1.9233 2.0390 2.0444 2.2723 2.2752 2.5145 2.5273 2.8154 2.8274 2.9052 2.9191 3.2459 3.2648 3.3626 3.3906 3.6334 3.6425 3.7531 3.7742 3.8222 3.8423 4.2897 4.3172 4.4677 4.4872 4.6291 4.6799 4.7671 4.7894 4.9176 4.9282 5.1725 5.1979 5.2790 5.2932 5.7107 5.7239 5.8938 5.9205 6.1621 6.1751 6.6314 6.6596 6.8976 6.9428 7.2533 7.2984 7.4732 7.4858 7.6794 7.7303 7.8965 7.9170 8.0779 8.0988 8.2397 8.2517 8.3283 8.3747 8.4667 8.4795 8.6375 8.6749 8.7915 8.8198 8.8690 8.9030 k = 0.0600 0.0602-0.0000 ( 17153 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.3941-380.3868-281.7176-281.7175 -251.6519-251.6484-140.0322-140.0300-127.0467-127.0328-117.2775-117.2757 -116.7927-116.7917-110.2689-110.2686 -86.8688 -86.8686 -80.0046 -80.0042 -76.3347 -76.3338 -73.5823 -73.5815 -68.4797 -68.4743 -63.3025 -63.2959 -57.5735 -57.5733 -55.2647 -55.2646 -46.0121 -46.0120 -43.6817 -43.6757 -41.1928 -41.1925 -33.1664 -33.1638 -29.1821 -29.1800 -21.2093 -21.2092 -18.8232 -18.8217 -17.1463 -17.1457 -14.5368 -14.5350 -13.5066 -13.5057 -12.6013 -12.6010 -10.2909 -10.2894 -9.2611 -9.2608 -8.5273 -8.5243 -7.9335 -7.9183 -7.7543 -7.7411 -7.5894 -7.5869 -7.3604 -7.3544 -7.2194 -7.2138 -7.0495 -7.0416 -6.7026 -6.6978 -6.2921 -6.2900 -3.5484 -3.5462 -3.0441 -3.0394 -2.9386 -2.9257 -2.6581 -2.6441 -2.4528 -2.4496 -1.9130 -1.9082 -1.3203 -1.3124 -1.2139 -1.1960 -1.0115 -0.9901 -0.4851 -0.4717 -0.3809 -0.3722 0.5760 0.5897 0.7305 0.7495 1.0549 1.0689 1.2278 1.2557 1.4096 1.4303 1.6147 1.6299 1.7878 1.8085 1.9002 1.9285 2.0388 2.0470 2.2712 2.2755 2.5139 2.5324 2.8134 2.8301 2.9030 2.9233 3.2424 3.2706 3.3579 3.3989 3.6318 3.6451 3.7450 3.7745 3.8239 3.8520 4.2841 4.3246 4.4649 4.4932 4.6174 4.6930 4.7622 4.7954 4.9165 4.9316 5.1644 5.2009 5.2793 5.2992 5.7086 5.7282 5.8868 5.9269 6.1602 6.1798 6.6187 6.6606 6.8901 6.9572 7.2442 7.3112 7.4689 7.4878 7.6712 7.7456 7.8941 7.9226 8.0752 8.1071 8.2334 8.2496 8.3280 8.3927 8.4668 8.4861 8.6299 8.6860 8.7846 8.8251 8.8582 8.9117 k = 0.0800 0.0803-0.0000 ( 17209 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4542-380.4383-281.7653-281.7653 -251.6882-251.6819-140.0451-140.0419-127.2256-127.1900-117.2883-117.2857 -116.8087-116.8073-110.2853-110.2848 -86.9993 -86.9992 -80.0788 -80.0776 -76.3428 -76.3416 -73.5893 -73.5882 -68.5677 -68.5549 -63.3758 -63.3545 -57.5801 -57.5801 -55.3131 -55.3129 -46.0568 -46.0566 -43.7585 -43.7411 -41.2298 -41.2294 -33.2026 -33.1940 -29.2115 -29.2059 -21.3234 -21.3229 -18.8447 -18.8408 -17.1590 -17.1582 -14.5510 -14.5457 -13.5302 -13.5277 -12.6232 -12.6222 -10.3351 -10.3282 -9.2713 -9.2700 -8.5290 -8.5252 -7.9367 -7.9171 -7.7570 -7.7397 -7.5947 -7.5890 -7.3694 -7.3593 -7.2285 -7.2207 -7.0558 -7.0466 -6.7038 -6.6977 -6.2927 -6.2900 -3.5534 -3.5500 -3.0558 -3.0501 -2.9517 -2.9352 -2.6646 -2.6467 -2.4646 -2.4603 -1.9180 -1.9132 -1.3305 -1.3192 -1.2223 -1.1995 -1.0240 -0.9951 -0.4886 -0.4712 -0.3831 -0.3717 0.5741 0.5922 0.7271 0.7520 1.0506 1.0691 1.2222 1.2588 1.4046 1.4310 1.6118 1.6314 1.7825 1.8093 1.8959 1.9325 2.0380 2.0494 2.2676 2.2738 2.5062 2.5294 2.8074 2.8276 2.8967 2.9227 3.2367 3.2743 3.3505 3.4040 3.6235 3.6399 3.7319 3.7677 3.8216 3.8557 4.2767 4.3280 4.4587 4.4965 4.6036 4.7024 4.7555 4.8002 4.9133 4.9329 5.1540 5.1998 5.2790 5.3027 5.7043 5.7294 5.8748 5.9276 6.1531 6.1779 6.6018 6.6564 6.8813 6.9696 7.2349 7.3224 7.4622 7.4864 7.6615 7.7554 7.8900 7.9226 8.0673 8.1114 8.2227 8.2414 8.3265 8.4064 8.4628 8.4894 8.6186 8.6900 8.7748 8.8262 8.8494 8.9192 k = 0.1000 0.1004-0.0000 ( 17201 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4418-380.4402-281.7485-281.7482 -251.6833-251.6819-140.0418-140.0411-127.1871-127.1833-117.2856-117.2851 -116.8070-116.8066-110.2821-110.2815 -86.9844 -86.9840 -80.0688 -80.0686 -76.3415 -76.3413 -73.5881 -73.5880 -68.5470 -68.5453 -63.3596 -63.3569 -57.5792 -57.5791 -55.3122 -55.3120 -46.0551 -46.0549 -43.7488 -43.7477 -41.2250 -41.2248 -33.1951 -33.1937 -29.2068 -29.2062 -21.2837 -21.2835 -18.8413 -18.8408 -17.1569 -17.1567 -14.5467 -14.5460 -13.5254 -13.5252 -12.6202 -12.6200 -10.3283 -10.3277 -9.2700 -9.2687 -8.5297 -8.5252 -7.9368 -7.9130 -7.7588 -7.7377 -7.5925 -7.5870 -7.3696 -7.3581 -7.2313 -7.2223 -7.0572 -7.0457 -6.7035 -6.6962 -6.2922 -6.2889 -3.5534 -3.5491 -3.0542 -3.0472 -2.9524 -2.9321 -2.6646 -2.6431 -2.4635 -2.4585 -1.9177 -1.9112 -1.3293 -1.3161 -1.2235 -1.1948 -1.0272 -0.9918 -0.4910 -0.4699 -0.3839 -0.3702 0.5734 0.5958 0.7246 0.7551 1.0466 1.0695 1.2175 1.2628 1.4003 1.4323 1.6096 1.6331 1.7784 1.8108 1.8932 1.9369 2.0382 2.0527 2.2654 2.2733 2.5055 2.5327 2.8052 2.8276 2.8948 2.9253 3.2333 3.2800 3.3480 3.4116 3.6207 3.6399 3.7225 3.7645 3.8246 3.8646 4.2725 4.3339 4.4566 4.5029 4.5926 4.7125 4.7515 4.8067 4.9130 4.9358 5.1451 5.1986 5.2828 5.3087 5.7030 5.7334 5.8672 5.9320 6.1511 6.1814 6.5860 6.6525 6.8755 6.9843 7.2280 7.3350 7.4575 7.4878 7.6570 7.7685 7.8905 7.9279 8.0651 8.1202 8.2148 8.2387 8.3332 8.4224 8.4651 8.4978 8.6147 8.7012 8.7682 8.8292 8.8519 8.9358 k = 0.1200 0.1204-0.0000 ( 17193 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4351-380.4345-281.7483-281.7478 -251.6778-251.6764-140.0392-140.0373-127.1540-127.1521-117.2837-117.2820 -116.8041-116.8035-110.2809-110.2794 -86.9605 -86.9598 -80.0583 -80.0581 -76.3403 -76.3401 -73.5870 -73.5869 -68.5343 -68.5339 -63.3489 -63.3484 -57.5784 -57.5781 -55.3067 -55.3065 -46.0514 -46.0512 -43.7399 -43.7375 -41.2204 -41.2200 -33.1907 -33.1904 -29.2036 -29.2030 -21.2826 -21.2824 -18.8387 -18.8384 -17.1550 -17.1548 -14.5442 -14.5438 -13.5225 -13.5221 -12.6175 -12.6174 -10.3225 -10.3211 -9.2686 -9.2670 -8.5301 -8.5249 -7.9362 -7.9086 -7.7602 -7.7359 -7.5903 -7.5839 -7.3702 -7.3570 -7.2347 -7.2237 -7.0587 -7.0454 -6.7031 -6.6947 -6.2915 -6.2877 -3.5528 -3.5477 -3.0527 -3.0441 -2.9526 -2.9290 -2.6656 -2.6405 -2.4622 -2.4561 -1.9170 -1.9094 -1.3293 -1.3147 -1.2244 -1.1901 -1.0306 -0.9892 -0.4931 -0.4690 -0.3848 -0.3688 0.5731 0.5996 0.7223 0.7582 1.0424 1.0695 1.2131 1.2666 1.3960 1.4330 1.6076 1.6346 1.7748 1.8120 1.8910 1.9409 2.0386 2.0563 2.2634 2.2729 2.5073 2.5373 2.8039 2.8266 2.8952 2.9290 3.2307 3.2860 3.3472 3.4192 3.6189 3.6404 3.7144 3.7620 3.8288 3.8736 4.2696 4.3392 4.4556 4.5098 4.5826 4.7199 4.7489 4.8136 4.9135 4.9391 5.1361 5.1959 5.2879 5.3150 5.7023 5.7372 5.8599 5.9358 6.1499 6.1851 6.5698 6.6471 6.8707 6.9979 7.2224 7.3469 7.4525 7.4893 7.6546 7.7802 7.8919 7.9349 8.0633 8.1294 8.2066 8.2374 8.3421 8.4358 8.4699 8.5078 8.6127 8.7142 8.7620 8.8316 8.8666 8.9391 k = 0.1400 0.1405-0.0000 ( 17173 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4169-380.4076-281.7361-281.7353 -251.6661-251.6633-140.0337-140.0304-127.0955-127.0751-117.2791-117.2763 -116.7991-116.7983-110.2772-110.2746 -86.9268 -86.9256 -80.0320 -80.0313 -76.3372 -76.3367 -73.5843 -73.5837 -68.5069 -68.4984 -63.3285 -63.3184 -57.5768 -57.5761 -55.2917 -55.2916 -46.0385 -46.0381 -43.7048 -43.6954 -41.2065 -41.2059 -33.1811 -33.1756 -29.1952 -29.1921 -21.2671 -21.2668 -18.8324 -18.8304 -17.1493 -17.1490 -14.5405 -14.5379 -13.5153 -13.5128 -12.6112 -12.6100 -10.3100 -10.3029 -9.2644 -9.2625 -8.5304 -8.5247 -7.9348 -7.9036 -7.7611 -7.7344 -7.5867 -7.5796 -7.3698 -7.3544 -7.2368 -7.2246 -7.0594 -7.0444 -6.7020 -6.6927 -6.2905 -6.2862 -3.5514 -3.5454 -3.0479 -3.0384 -2.9518 -2.9241 -2.6656 -2.6370 -2.4588 -2.4517 -1.9150 -1.9063 -1.3274 -1.3114 -1.2232 -1.1836 -1.0330 -0.9857 -0.4949 -0.4682 -0.3853 -0.3672 0.5734 0.6037 0.7205 0.7614 1.0382 1.0691 1.2091 1.2703 1.3923 1.4333 1.6060 1.6358 1.7717 1.8132 1.8896 1.9446 2.0392 2.0603 2.2611 2.2724 2.5094 2.5421 2.8030 2.8253 2.8960 2.9322 3.2285 3.2919 3.3488 3.4269 3.6168 3.6408 3.7077 3.7612 3.8334 3.8820 4.2681 4.3441 4.4553 4.5176 4.5738 4.7238 4.7495 4.8215 4.9155 4.9433 5.1276 5.1926 5.2943 5.3218 5.7027 5.7420 5.8541 5.9397 6.1496 6.1894 6.5542 6.6413 6.8665 7.0109 7.2188 7.3589 7.4480 7.4921 7.6545 7.7903 7.8933 7.9450 8.0624 8.1385 8.1992 8.2389 8.3529 8.4452 8.4775 8.5201 8.6123 8.7246 8.7569 8.8308 8.8714 8.9507 k = 0.1600 0.1606-0.0000 ( 17193 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4321-380.4240-281.7658-281.7655 -251.6776-251.6722-140.0361-140.0355-127.1481-127.1305-117.2812-117.2805 -116.8048-116.8029-110.2837-110.2834 -86.9747 -86.9746 -80.0596 -80.0591 -76.3397 -76.3389 -73.5863 -73.5857 -68.5391 -68.5300 -63.3513 -63.3398 -57.5794 -57.5792 -55.3074 -55.3072 -46.0550 -46.0547 -43.7110 -43.7056 -41.2206 -41.2203 -33.1942 -33.1883 -29.2024 -29.2006 -21.3465 -21.3456 -18.8378 -18.8363 -17.1536 -17.1533 -14.5447 -14.5430 -13.5238 -13.5220 -12.6197 -12.6182 -10.3204 -10.3160 -9.2681 -9.2656 -8.5315 -8.5254 -7.9346 -7.9005 -7.7624 -7.7334 -7.5879 -7.5781 -7.3747 -7.3563 -7.2442 -7.2296 -7.0618 -7.0463 -6.7020 -6.6918 -6.2899 -6.2851 -3.5528 -3.5462 -3.0522 -3.0415 -2.9572 -2.9269 -2.6691 -2.6375 -2.4634 -2.4554 -1.9168 -1.9074 -1.3321 -1.3150 -1.2251 -1.1818 -1.0413 -0.9892 -0.4971 -0.4682 -0.3869 -0.3663 0.5737 0.6075 0.7186 0.7644 1.0331 1.0677 1.2048 1.2729 1.3882 1.4321 1.6041 1.6362 1.7683 1.8136 1.8880 1.9475 2.0393 2.0638 2.2578 2.2709 2.5086 2.5429 2.8007 2.8221 2.8951 2.9333 3.2254 3.2963 3.3500 3.4324 3.6119 3.6378 3.6988 3.7574 3.8342 3.8866 4.2661 4.3459 4.4544 4.5230 4.5651 4.7225 4.7510 4.8292 4.9165 4.9469 5.1182 5.1875 5.3001 5.3264 5.7022 5.7442 5.8459 5.9405 6.1465 6.1907 6.5375 6.6328 6.8611 7.0206 7.2160 7.3690 7.4423 7.4947 7.6545 7.7957 7.8910 7.9557 8.0586 8.1447 8.1899 8.2385 8.3620 8.4474 8.4820 8.5328 8.6103 8.7316 8.7518 8.8284 8.8862 9.0294 k = 0.1800 0.1806-0.0000 ( 17209 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4634-380.4369-281.7571-281.7567 -251.6964-251.6838-140.0404-140.0366-127.2197-127.1609-117.2846-117.2817 -116.8124-116.8085-110.2871-110.2847 -87.0222 -87.0211 -80.0806 -80.0790 -76.3433 -76.3413 -73.5892 -73.5876 -68.5651 -68.5396 -63.3849 -63.3502 -57.5814 -57.5807 -55.3306 -55.3304 -46.0738 -46.0731 -43.7622 -43.7381 -41.2306 -41.2301 -33.2087 -33.1921 -29.2173 -29.2093 -21.3256 -21.3245 -18.8480 -18.8424 -17.1576 -17.1566 -14.5505 -14.5435 -13.5312 -13.5254 -12.6272 -12.6237 -10.3429 -10.3279 -9.2713 -9.2679 -8.5324 -8.5261 -7.9336 -7.8972 -7.7633 -7.7327 -7.5883 -7.5762 -7.3801 -7.3582 -7.2507 -7.2337 -7.0646 -7.0490 -6.7018 -6.6912 -6.2891 -6.2839 -3.5544 -3.5476 -3.0546 -3.0444 -2.9608 -2.9305 -2.6699 -2.6365 -2.4672 -2.4578 -1.9179 -1.9079 -1.3343 -1.3154 -1.2276 -1.1789 -1.0480 -0.9900 -0.4989 -0.4685 -0.3878 -0.3658 0.5744 0.6112 0.7170 0.7674 1.0280 1.0659 1.2011 1.2751 1.3841 1.4304 1.6026 1.6363 1.7656 1.8139 1.8865 1.9497 2.0394 2.0669 2.2537 2.2687 2.5052 2.5396 2.7960 2.8168 2.8943 2.9333 3.2228 3.2999 3.3523 3.4375 3.6048 3.6315 3.6882 3.7518 3.8327 3.8890 4.2653 4.3468 4.4537 4.5264 4.5587 4.7187 4.7535 4.8365 4.9171 4.9507 5.1088 5.1822 5.3060 5.3309 5.7020 5.7462 5.8378 5.9399 6.1444 6.1913 6.5210 6.6231 6.8560 7.0274 7.2159 7.3774 7.4368 7.4980 7.6562 7.7992 7.8871 7.9695 8.0554 8.1495 8.1828 8.2394 8.3724 8.4497 8.4868 8.5460 8.6096 8.7356 8.7529 8.8268 8.8908 8.9608 k = 0.2000 0.2007-0.0000 ( 17201 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4496-380.4384-281.7468-281.7465 -251.6894-251.6833-140.0374-140.0366-127.1811-127.1553-117.2822-117.2816 -116.8097-116.8075-110.2841-110.2824 -87.0046 -87.0038 -80.0693 -80.0686 -76.3419 -76.3410 -73.5880 -73.5874 -68.5463 -68.5336 -63.3664 -63.3504 -57.5803 -57.5797 -55.3233 -55.3232 -46.0661 -46.0656 -43.7499 -43.7406 -41.2250 -41.2246 -33.1996 -33.1910 -29.2113 -29.2083 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8.7369 8.7618 8.8344 8.9069 8.9652 k = 0.2200 0.2208-0.0000 ( 17201 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4476-380.4410-281.7524-281.7522 -251.6875-251.6847-140.0369-140.0359-127.1724-127.1556-117.2818-117.2809 -116.8090-116.8081-110.2849-110.2835 -87.0036 -87.0030 -80.0697 -80.0692 -76.3416 -76.3411 -73.5878 -73.5874 -68.5441 -68.5369 -63.3638 -63.3528 -57.5805 -57.5801 -55.3258 -55.3258 -46.0696 -46.0693 -43.7449 -43.7372 -41.2252 -41.2249 -33.1982 -33.1929 -29.2122 -29.2100 -21.3133 -21.3129 -18.8442 -18.8426 -17.1548 -17.1546 -14.5456 -14.5437 -13.5261 -13.5241 -12.6237 -12.6224 -10.3326 -10.3271 -9.2696 -9.2665 -8.5332 -8.5267 -7.9284 -7.8892 -7.7639 -7.7317 -7.5827 -7.5691 -7.3846 -7.3589 -7.2592 -7.2414 -7.0676 -7.0514 -6.6995 -6.6883 -6.2866 -6.2810 -3.5535 -3.5460 -3.0508 -3.0413 -2.9617 -2.9287 -2.6703 -2.6346 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-251.6928-251.6903-140.0387-140.0386-127.1936-127.1888-117.2833-117.2831 -116.8115-116.8104-110.2859-110.2858 -87.0218 -87.0214 -80.0798 -80.0795 -76.3428 -76.3425 -73.5888 -73.5886 -68.5542 -68.5505 -63.3688 -63.3672 -57.5811 -57.5810 -55.3314 -55.3313 -46.0738 -46.0735 -43.7570 -43.7564 -41.2303 -41.2301 -33.2009 -33.1991 -29.2150 -29.2147 -21.3171 -21.3165 -18.8461 -18.8459 -17.1572 -17.1571 -14.5470 -14.5467 -13.5287 -13.5279 -12.6259 -12.6252 -10.3380 -10.3359 -9.2714 -9.2685 -8.5338 -8.5274 -7.9256 -7.8860 -7.7641 -7.7317 -7.5815 -7.5667 -7.3882 -7.3608 -7.2647 -7.2468 -7.0699 -7.0542 -6.6985 -6.6874 -6.2853 -6.2798 -3.5543 -3.5464 -3.0511 -3.0416 -2.9644 -2.9308 -2.6710 -2.6355 -2.4689 -2.4581 -1.9160 -1.9040 -1.3369 -1.3168 -1.2272 -1.1674 -1.0617 -0.9926 -0.5019 -0.4698 -0.3894 -0.3648 0.5796 0.6232 0.7146 0.7786 1.0131 1.0585 1.1933 1.2801 1.3748 1.4235 1.5999 1.6346 1.7624 1.8163 1.8850 1.9550 2.0406 2.0741 2.2450 2.2640 2.5073 2.5404 2.7852 2.8101 2.8984 2.9369 3.2216 3.3080 3.3691 3.4533 3.5878 3.6237 3.6715 3.7474 3.8307 3.8918 4.2696 4.3513 4.4592 4.5136 4.5730 4.7059 4.7605 4.8545 4.9283 4.9704 5.0860 5.1675 5.3245 5.3441 5.7077 5.7555 5.8221 5.9361 6.1444 6.1970 6.4817 6.5964 6.8434 7.0304 7.2310 7.3934 7.4282 7.5140 7.6729 7.8076 7.8790 8.0147 8.0597 8.1437 8.1944 8.2446 8.4018 8.4612 8.5070 8.5814 8.6169 8.7405 8.7774 8.8449 8.9313 8.9729 k = 0.2600 0.2609-0.0000 ( 17245 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4975-380.4915-281.7747-281.7746 -251.7186-251.7139-140.0467-140.0455-127.3044-127.2966-117.2900-117.2890 -116.8227-116.8203-110.2951-110.2941 -87.1040 -87.1032 -80.1266 -80.1262 -76.3487 -76.3478 -73.5938 -73.5932 -68.6071 -68.6000 -63.4133 -63.4107 -57.5852 -57.5847 -55.3645 -55.3645 -46.1031 -46.1024 -43.8228 -43.8193 -41.2542 -41.2540 -33.2234 -33.2195 -29.2344 -29.2342 -21.3581 -21.3566 -18.8600 -18.8600 -17.1666 -17.1662 -14.5553 -14.5551 -13.5435 -13.5417 -12.6399 -12.6380 -10.3689 -10.3638 -9.2781 -9.2755 -8.5352 -8.5287 -7.9236 -7.8839 -7.7644 -7.7321 -7.5825 -7.5666 -7.3942 -7.3662 -7.2737 -7.2549 -7.0745 -7.0599 -6.6978 -6.6872 -6.2844 -6.2789 -3.5569 -3.5494 -3.0576 -3.0484 -2.9711 -2.9381 -2.6730 -2.6384 -2.4766 -2.4653 -1.9188 -1.9066 -1.3421 -1.3224 -1.2302 -1.1674 -1.0705 -0.9994 -0.5027 -0.4711 -0.3905 -0.3659 0.5816 0.6265 0.7142 0.7824 1.0078 1.0547 1.1915 1.2800 1.3717 1.4198 1.5993 1.6332 1.7618 1.8165 1.8842 1.9556 2.0407 2.0746 2.2413 2.2611 2.5035 2.5343 2.7771 2.8065 2.8971 2.9356 3.2214 3.3081 3.3735 3.4564 3.5780 3.6171 3.6624 3.7417 3.8254 3.8867 4.2709 4.3511 4.4581 4.5051 4.5812 4.7005 4.7603 4.8561 4.9315 4.9773 5.0783 5.1612 5.3285 5.3467 5.7088 5.7562 5.8158 5.9304 6.1426 6.1957 6.4707 6.5861 6.8385 7.0239 7.2392 7.3915 7.4286 7.5180 7.6795 7.8069 7.8759 8.0236 8.0626 8.1357 8.2001 8.2439 8.4069 8.4636 8.5108 8.5847 8.6200 8.7426 8.7811 8.8494 8.9396 8.9723 k = 0.2800 0.2810-0.0000 ( 17229 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4832-380.4721-281.7585-281.7582 -251.7112-251.7041-140.0409-140.0406-127.2562-127.2365-117.2852-117.2849 -116.8196-116.8165-110.2912-110.2898 -87.0805 -87.0794 -80.1060 -80.1055 -76.3464 -76.3453 -73.5916 -73.5908 -68.5819 -68.5695 -63.3978 -63.3884 -57.5838 -57.5831 -55.3545 -55.3544 -46.0938 -46.0929 -43.7964 -43.7926 -41.2436 -41.2434 -33.2161 -33.2088 -29.2271 -29.2256 -21.3333 -21.3316 -18.8544 -18.8533 -17.1627 -17.1624 -14.5525 -14.5511 -13.5372 -13.5342 -12.6347 -12.6321 -10.3592 -10.3510 -9.2752 -9.2728 -8.5353 -8.5291 -7.9197 -7.8806 -7.7634 -7.7325 -7.5785 -7.5612 -7.3963 -7.3666 -7.2751 -7.2569 -7.0751 -7.0610 -6.6959 -6.6855 -6.2826 -6.2772 -3.5555 -3.5481 -3.0529 -3.0443 -2.9690 -2.9368 -2.6709 -2.6365 -2.4735 -2.4622 -1.9167 -1.9041 -1.3398 -1.3214 -1.2270 -1.1629 -1.0712 -0.9989 -0.5025 -0.4718 -0.3904 -0.3659 0.5846 0.6302 0.7149 0.7869 1.0034 1.0510 1.1910 1.2802 1.3697 1.4165 1.5991 1.6318 1.7631 1.8175 1.8849 1.9564 2.0414 2.0753 2.2394 2.2595 2.5046 2.5341 2.7738 2.8062 2.8991 2.9365 3.2240 3.3092 3.3810 3.4608 3.5721 3.6148 3.6622 3.7422 3.8238 3.8836 4.2744 4.3542 4.4589 4.5006 4.5920 4.6970 4.7615 4.8577 4.9372 4.9870 5.0738 5.1574 5.3331 5.3515 5.7129 5.7591 5.8140 5.9275 6.1454 6.1975 6.4636 6.5782 6.8364 7.0169 7.2494 7.3901 7.4324 7.5225 7.6906 7.8084 7.8782 8.0316 8.0711 8.1362 8.2085 8.2477 8.4130 8.4721 8.5218 8.5874 8.6271 8.7491 8.7894 8.8618 8.9545 8.9812 k = 0.3000 0.3011-0.0000 ( 17201 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4568-380.4493-281.7265-281.7263 -251.6950-251.6895-140.0340-140.0338-127.1689-127.1560-117.2795-117.2793 -116.8119-116.8095-110.2820-110.2808 -87.0182 -87.0172 -80.0673 -80.0669 -76.3425 -76.3419 -73.5881 -73.5878 -68.5365 -68.5269 -63.3630 -63.3572 -57.5802 -57.5796 -55.3317 -55.3317 -46.0714 -46.0706 -43.7702 -43.7694 -41.2239 -41.2236 -33.1976 -33.1919 -29.2148 -29.2140 -21.2569 -21.2553 -18.8452 -18.8446 -17.1562 -17.1560 -14.5455 -14.5448 -13.5250 -13.5226 -12.6235 -12.6212 -10.3397 -10.3331 -9.2702 -9.2680 -8.5349 -8.5291 -7.9148 -7.8771 -7.7621 -7.7331 -7.5732 -7.5552 -7.3974 -7.3662 -7.2745 -7.2574 -7.0742 -7.0610 -6.6939 -6.6840 -6.2807 -6.2754 -3.5526 -3.5459 -3.0462 -3.0380 -2.9637 -2.9329 -2.6675 -2.6346 -2.4682 -2.4573 -1.9128 -1.9009 -1.3354 -1.3178 -1.2224 -1.1582 -1.0695 -0.9970 -0.5019 -0.4725 -0.3899 -0.3657 0.5879 0.6336 0.7166 0.7914 0.9994 1.0470 1.1915 1.2798 1.3683 1.4132 1.5993 1.6304 1.7651 1.8184 1.8864 1.9570 2.0422 2.0753 2.2380 2.2580 2.5064 2.5351 2.7716 2.8057 2.9033 2.9388 3.2273 3.3099 3.3893 3.4652 3.5671 3.6123 3.6646 3.7444 3.8230 3.8799 4.2783 4.3578 4.4583 4.4987 4.6037 4.6941 4.7630 4.8580 4.9436 4.9976 5.0708 5.1541 5.3373 5.3563 5.7183 5.7627 5.8140 5.9249 6.1501 6.2002 6.4583 6.5700 6.8351 7.0084 7.2605 7.3878 7.4371 7.5261 7.7041 7.8099 7.8834 8.0388 8.0800 8.1412 8.2154 8.2535 8.4183 8.4819 8.5339 8.5882 8.6352 8.7555 8.7998 8.8678 8.9551 8.9721 k = 0.3200 0.3211-0.0000 ( 17210 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4619-380.4553-281.7449-281.7445 -251.6959-251.6922-140.0383-140.0377-127.2010-127.1887-117.2831-117.2825 -116.8123-116.8107-110.2853-110.2835 -87.0258 -87.0248 -80.0791 -80.0788 -76.3434 -76.3429 -73.5892 -73.5889 -68.5546 -68.5467 -63.3722 -63.3665 -57.5810 -57.5804 -55.3311 -55.3311 -46.0716 -46.0710 -43.7760 -43.7733 -41.2302 -41.2300 -33.2025 -33.1976 -29.2164 -29.2153 -21.2908 -21.2897 -18.8468 -18.8459 -17.1588 -17.1585 -14.5482 -14.5472 -13.5294 -13.5272 -12.6258 -12.6239 -10.3436 -10.3369 -9.2727 -9.2701 -8.5353 -8.5300 -7.9111 -7.8752 -7.7614 -7.7340 -7.5723 -7.5533 -7.4014 -7.3693 -7.2781 -7.2620 -7.0762 -7.0638 -6.6929 -6.6835 -6.2793 -6.2742 -3.5524 -3.5461 -3.0466 -3.0389 -2.9653 -2.9360 -2.6679 -2.6367 -2.4703 -2.4600 -1.9126 -1.9011 -1.3381 -1.3212 -1.2209 -1.1588 -1.0721 -1.0024 -0.5014 -0.4737 -0.3901 -0.3668 0.5910 0.6359 0.7187 0.7953 0.9956 1.0424 1.1923 1.2783 1.3668 1.4095 1.5994 1.6286 1.7672 1.8183 1.8883 1.9568 2.0426 2.0741 2.2367 2.2560 2.5056 2.5331 2.7694 2.8040 2.9052 2.9389 3.2305 3.3092 3.3957 3.4678 3.5614 3.6081 3.6664 3.7448 3.8198 3.8734 4.2813 4.3595 4.4551 4.4967 4.6136 4.6907 4.7635 4.8562 4.9492 5.0067 5.0680 5.1497 5.3397 5.3594 5.7226 5.7642 5.8130 5.9190 6.1525 6.2000 6.4544 6.5611 6.8338 6.9973 7.2706 7.3834 7.4412 7.5272 7.7162 7.8101 7.8880 8.0432 8.0833 8.1429 8.2171 8.2577 8.4202 8.4857 8.5412 8.5857 8.6419 8.7554 8.8078 8.8706 8.9455 8.9746 k = 0.3400 0.3412-0.0000 ( 17250 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5007-380.4982-281.7754-281.7752 -251.7208-251.7187-140.0465-140.0457-127.3143-127.3112-117.2898-117.2892 -116.8237-116.8226-110.2960-110.2954 -87.1208 -87.1205 -80.1323 -80.1320 -76.3492 -76.3485 -73.5942 -73.5936 -68.6098 -68.6081 -63.4185 -63.4162 -57.5857 -57.5854 -55.3691 -55.3691 -46.1068 -46.1065 -43.8302 -43.8263 -41.2570 -41.2567 -33.2244 -33.2240 -29.2370 -29.2363 -21.3665 -21.3660 -18.8616 -18.8612 -17.1678 -17.1674 -14.5567 -14.5560 -13.5446 -13.5443 -12.6410 -12.6404 -10.3720 -10.3705 -9.2790 -9.2772 -8.5364 -8.5314 -7.9082 -7.8747 -7.7608 -7.7354 -7.5741 -7.5540 -7.4064 -7.3747 -7.2866 -7.2707 -7.0806 -7.0701 -6.6924 -6.6838 -6.2785 -6.2738 -3.5550 -3.5496 -3.0534 -3.0469 -2.9721 -2.9451 -2.6697 -2.6408 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3.3045 3.4066 3.4688 3.5491 3.5942 3.6657 3.7363 3.8076 3.8543 4.2865 4.3584 4.4472 4.4920 4.6296 4.6843 4.7642 4.8487 4.9591 5.0202 5.0647 5.1404 5.3423 5.3629 5.7288 5.7631 5.8114 5.9020 6.1543 6.1948 6.4502 6.5420 6.8325 6.9717 7.2885 7.3716 7.4476 7.5234 7.7405 7.8094 7.8993 8.0462 8.0855 8.1443 8.2130 8.2652 8.4225 8.4879 8.5533 8.5778 8.6558 8.7467 8.8240 8.8923 8.9290 8.9969 k = 0.3800 0.3813-0.0000 ( 17262 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5127-380.5109-281.7783-281.7779 -251.7279-251.7262-140.0517-140.0510-127.3620-127.3596-117.2941-117.2933 -116.8266-116.8259-110.2981-110.2968 -87.1412 -87.1408 -80.1470 -80.1469 -76.3511 -76.3507 -73.5960 -73.5957 -68.6296 -68.6284 -63.4326 -63.4319 -57.5865 -57.5862 -55.3763 -55.3762 -46.1117 -46.1115 -43.8540 -43.8518 -41.2646 -41.2641 -33.2305 -33.2299 -29.2424 -29.2421 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8.7392 8.8394 8.9065 8.9200 8.9987 k = 0.4000 0.4014-0.0000 ( 17298 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5514-380.5434-281.8170-281.8164 -251.7491-251.7439-140.0614-140.0608-127.4809-127.4664-117.3019-117.3017 -116.8354-116.8339-110.3086-110.3068 -87.2070 -87.2064 -80.1944 -80.1939 -76.3565 -76.3555 -73.6008 -73.6001 -68.6911 -68.6848 -63.4786 -63.4703 -57.5905 -57.5900 -55.4035 -55.4035 -46.1381 -46.1378 -43.9033 -43.8978 -41.2889 -41.2883 -33.2529 -33.2499 -29.2608 -29.2588 -21.4386 -21.4385 -18.8796 -18.8782 -17.1792 -17.1784 -14.5677 -14.5658 -13.5647 -13.5641 -12.6575 -12.6574 -10.4075 -10.4065 -9.2869 -9.2860 -8.5376 -8.5343 -7.8974 -7.8743 -7.7572 -7.7400 -7.5701 -7.5528 -7.4158 -7.3899 -7.2970 -7.2851 -7.0867 -7.0805 -6.6897 -6.6840 -6.2752 -6.2719 -3.5574 -3.5533 -3.0612 -3.0555 -2.9774 -2.9586 -2.6696 -2.6496 -2.4872 -2.4795 -1.9153 -1.9089 -1.3499 -1.3391 -1.2173 -1.1750 -1.0790 -1.0317 -0.4982 -0.4806 -0.3904 -0.3746 0.6040 0.6360 0.7382 0.8015 0.9865 1.0213 1.2031 1.2634 1.3648 1.3929 1.6018 1.6203 1.7773 1.8112 1.9020 1.9504 2.0446 2.0639 2.2310 2.2446 2.4950 2.5126 2.7573 2.7878 2.9114 2.9336 3.2475 3.2984 3.4177 3.4661 3.5436 3.5825 3.6726 3.7286 3.7988 3.8359 4.2935 4.3525 4.4462 4.4870 4.6427 4.6787 4.7693 4.8379 4.9699 5.0243 5.0706 5.1321 5.3445 5.3635 5.7348 5.7604 5.8155 5.8847 6.1588 6.1896 6.4534 6.5238 6.8379 6.9444 7.3045 7.3609 7.4551 7.5148 7.7641 7.8102 7.9181 8.0422 8.0912 8.1428 8.2074 8.2674 8.4278 8.4872 8.5577 8.5746 8.6689 8.7265 8.8368 8.8957 8.9147 8.9979 k = 0.4200 0.4215-0.0000 ( 17266 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5204-380.5145-281.7881-281.7879 -251.7288-251.7248-140.0555-140.0545-127.3878-127.3768-117.2971-117.2964 -116.8259-116.8246-110.2981-110.2975 -87.1295 -87.1293 -80.1489 -80.1486 -76.3521 -76.3513 -73.5972 -73.5965 -68.6448 -68.6395 -63.4376 -63.4315 -57.5862 -57.5860 -55.3683 -55.3682 -46.1039 -46.1037 -43.8707 -43.8656 -41.2660 -41.2655 -33.2316 -33.2288 -29.2443 -29.2428 -21.3605 -21.3602 -18.8672 -18.8661 -17.1729 -17.1724 -14.5612 -14.5598 -13.5518 -13.5510 -12.6438 -12.6435 -10.3847 -10.3826 -9.2821 -9.2815 -8.5367 -8.5340 -7.8928 -7.8739 -7.7551 -7.7413 -7.5642 -7.5492 -7.4142 -7.3918 -7.2927 -7.2833 -7.0842 -7.0791 -6.6877 -6.6831 -6.2736 -6.2708 -3.5537 -3.5507 -3.0539 -3.0494 -2.9701 -2.9549 -2.6654 -2.6491 -2.4813 -2.4751 -1.9109 -1.9056 -1.3456 -1.3366 -1.2099 -1.1750 -1.0710 -1.0320 -0.4964 -0.4819 -0.3888 -0.3755 0.6081 0.6346 0.7462 0.8001 0.9873 1.0165 1.2084 1.2585 1.3663 1.3895 1.6033 1.6184 1.7814 1.8092 1.9079 1.9480 2.0460 2.0618 2.2320 2.2433 2.4975 2.5125 2.7608 2.7861 2.9163 2.9343 3.2539 3.2956 3.4253 3.4649 3.5459 3.5792 3.6818 3.7302 3.7998 3.8297 4.2992 4.3490 4.4515 4.4872 4.6493 4.6771 4.7747 4.8324 4.9779 5.0242 5.0789 5.1295 5.3479 5.3643 5.7403 5.7620 5.8225 5.8799 6.1658 6.1918 6.4589 6.5165 6.8450 6.9321 7.3133 7.3575 7.4609 7.5107 7.7773 7.8123 7.9331 8.0399 8.1027 8.1470 8.2089 8.2667 8.4352 8.4894 8.5602 8.5783 8.6780 8.7206 8.8494 8.9014 8.9221 9.0085 k = 0.4400 0.4416-0.0000 ( 17266 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5202-380.5096-281.7867-281.7862 -251.7299-251.7253-140.0551-140.0537-127.3924-127.3703-117.2968-117.2956 -116.8271-116.8253-110.2993-110.2973 -87.1432 -87.1422 -80.1484 -80.1478 -76.3521 -76.3509 -73.5971 -73.5961 -68.6460 -68.6367 -63.4394 -63.4269 -57.5868 -57.5862 -55.3693 -55.3692 -46.1046 -46.1041 -43.8640 -43.8548 -41.2648 -41.2642 -33.2322 -33.2259 -29.2449 -29.2420 -21.3678 -21.3674 -18.8678 -18.8658 -17.1718 -17.1713 -14.5616 -14.5591 -13.5524 -13.5499 -12.6446 -12.6430 -10.3870 -10.3799 -9.2814 -9.2809 -8.5363 -8.5343 -7.8891 -7.8747 -7.7536 -7.7430 -7.5612 -7.5489 -7.4137 -7.3961 -7.2925 -7.2857 -7.0847 -7.0807 -6.6867 -6.6832 -6.2727 -6.2706 -3.5536 -3.5512 -3.0528 -3.0497 -2.9691 -2.9574 -2.6631 -2.6513 -2.4810 -2.4758 -1.9099 -1.9057 -1.3452 -1.3381 -1.2060 -1.1792 -1.0663 -1.0366 -0.4947 -0.4836 -0.3875 -0.3774 0.6118 0.6321 0.7544 0.7968 0.9887 1.0115 1.2139 1.2526 1.3680 1.3858 1.6049 1.6163 1.7850 1.8064 1.9137 1.9446 2.0472 2.0590 2.2323 2.2410 2.4971 2.5086 2.7618 2.7813 2.9188 2.9327 3.2595 3.2914 3.4309 3.4612 3.5477 3.5742 3.6873 3.7257 3.7985 3.8217 4.3043 4.3430 4.4556 4.4846 4.6539 4.6746 4.7805 4.8256 4.9846 5.0209 5.0866 5.1252 5.3505 5.3638 5.7440 5.7603 5.8282 5.8720 6.1696 6.1895 6.4642 6.5082 6.8519 6.9186 7.3202 7.3528 7.4660 7.5044 7.7870 7.8127 7.9473 8.0325 8.1087 8.1444 8.2117 8.2612 8.4423 8.4867 8.5608 8.5791 8.6840 8.7145 8.8562 8.9044 8.9413 9.0065 k = 0.4600 0.4616-0.0000 ( 17242 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4930-380.4918-281.7685-281.7684 -251.7140-251.7131-140.0471-140.0466-127.3003-127.2992-117.2902-117.2899 -116.8200-116.8195-110.2923-110.2920 -87.0923 -87.0921 -80.1150 -80.1149 -76.3481 -76.3478 -73.5935 -73.5933 -68.6043 -68.6034 -63.4034 -63.4032 -57.5840 -57.5839 -55.3514 -55.3513 -46.0887 -46.0886 -43.8283 -43.8267 -41.2478 -41.2474 -33.2145 -33.2139 -29.2336 -29.2334 -21.3326 -21.3324 -18.8595 -18.8595 -17.1650 -17.1649 -14.5541 -14.5540 -13.5416 -13.5413 -12.6354 -12.6350 -10.3658 -10.3650 -9.2764 -9.2760 -8.5358 -8.5344 -7.8852 -7.8755 -7.7513 -7.7445 -7.5558 -7.5469 -7.4107 -7.3982 -7.2882 -7.2840 -7.0827 -7.0801 -6.6851 -6.6827 -6.2714 -6.2700 -3.5515 -3.5501 -3.0469 -3.0445 -2.9627 -2.9551 -2.6587 -2.6509 -2.4754 -2.4722 -1.9062 -1.9037 -1.3406 -1.3360 -1.1993 -1.1804 -1.0587 -1.0374 -0.4926 -0.4852 -0.3856 -0.3787 0.6158 0.6297 0.7632 0.7924 0.9913 1.0068 1.2202 1.2466 1.3705 1.3825 1.6067 1.6144 1.7892 1.8034 1.9198 1.9410 2.0488 2.0567 2.2336 2.2396 2.4996 2.5076 2.7659 2.7792 2.9245 2.9334 3.2659 3.2876 3.4379 3.4585 3.5521 3.5705 3.6971 3.7236 3.8010 3.8166 4.3106 4.3373 4.4624 4.4822 4.6587 4.6723 4.7877 4.8187 4.9920 5.0170 5.0954 5.1213 5.3537 5.3629 5.7485 5.7595 5.8361 5.8663 6.1745 6.1881 6.4710 6.5007 6.8612 6.9065 7.3275 7.3489 7.4726 7.4989 7.7968 7.8134 7.9643 8.0237 8.1204 8.1444 8.2181 8.2547 8.4526 8.4841 8.5643 8.5799 8.6907 8.7087 8.8634 8.8943 8.9549 9.0056 k = 0.4800 0.4817-0.0000 ( 17234 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4886-380.4828-281.7660-281.7660 -251.7090-251.7082-140.0454-140.0430-127.2787-127.2651-117.2889-117.2870 -116.8174-116.8171-110.2905-110.2902 -87.0766 -87.0765 -80.1018 -80.1011 -76.3470 -76.3466 -73.5926 -73.5921 -68.5948 -68.5918 -63.3946 -63.3864 -57.5831 -57.5830 -55.3379 -55.3379 -46.0758 -46.0756 -43.8231 -43.8141 -41.2407 -41.2404 -33.2085 -33.2066 -29.2305 -29.2278 -21.3279 -21.3271 -18.8567 -18.8550 -17.1639 -17.1635 -14.5542 -14.5517 -13.5385 -13.5381 -12.6315 -12.6311 -10.3600 -10.3587 -9.2753 -9.2749 -8.5351 -8.5344 -7.8821 -7.8772 -7.7494 -7.7461 -7.5524 -7.5476 -7.4082 -7.4017 -7.2868 -7.2843 -7.0815 -7.0803 -6.6839 -6.6827 -6.2708 -6.2701 -3.5507 -3.5497 -3.0447 -3.0431 -2.9600 -2.9553 -2.6570 -2.6524 -2.4736 -2.4719 -1.9044 -1.9033 -1.3398 -1.3373 -1.1936 -1.1848 -1.0528 -1.0420 -0.4907 -0.4870 -0.3837 -0.3802 0.6196 0.6265 0.7715 0.7864 0.9945 1.0023 1.2267 1.2401 1.3732 1.3793 1.6086 1.6125 1.7930 1.8001 1.9257 1.9363 2.0505 2.0546 2.2350 2.2380 2.5014 2.5054 2.7691 2.7758 2.9282 2.9327 3.2716 3.2826 3.4436 3.4540 3.5567 3.5659 3.7050 3.7183 3.8038 3.8117 4.3171 4.3306 4.4686 4.4787 4.6628 4.6695 4.7955 4.8113 4.9992 5.0117 5.1030 5.1162 5.3566 5.3613 5.7524 5.7579 5.8444 5.8593 6.1796 6.1861 6.4779 6.4930 6.8715 6.8944 7.3336 7.3445 7.4791 7.4924 7.8035 7.8118 7.9809 8.0116 8.1281 8.1401 8.2263 8.2458 8.4623 8.4786 8.5682 8.5769 8.6955 8.7043 8.8713 8.8868 8.9642 8.9853 k = 0.5000 0.5018-0.0000 ( 17222 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4729-380.4729-281.7508-281.7508 -251.7030-251.7030-140.0403-140.0403-127.2321-127.2321-117.2846-117.2846 -116.8152-116.8152-110.2872-110.2872 -87.0626 -87.0626 -80.0861 -80.0861 -76.3450 -76.3450 -73.5906 -73.5906 -68.5718 -68.5718 -63.3766 -63.3766 -57.5820 -57.5820 -55.3327 -55.3327 -46.0708 -46.0708 -43.7982 -43.7982 -41.2320 -41.2320 -33.2002 -33.2002 -29.2242 -29.2242 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8.7010 8.8807 8.8814 8.9698 8.9783 k = 0.5000 0.5018-0.0000 ( 17222 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4729-380.4729-281.7508-281.7508 -251.7030-251.7030-140.0403-140.0403-127.2321-127.2321-117.2846-117.2846 -116.8152-116.8152-110.2872-110.2872 -87.0626 -87.0626 -80.0861 -80.0861 -76.3450 -76.3450 -73.5906 -73.5906 -68.5718 -68.5718 -63.3766 -63.3766 -57.5820 -57.5820 -55.3327 -55.3327 -46.0708 -46.0708 -43.7982 -43.7982 -41.2320 -41.2320 -33.2002 -33.2002 -29.2242 -29.2242 -21.3054 -21.3054 -18.8517 -18.8517 -17.1600 -17.1600 -14.5498 -14.5498 -13.5329 -13.5329 -12.6277 -12.6277 -10.3510 -10.3510 -9.2724 -9.2724 -8.5347 -8.5347 -7.8791 -7.8791 -7.7476 -7.7476 -7.5484 -7.5484 -7.4045 -7.4045 -7.2836 -7.2836 -7.0801 -7.0801 -6.6830 -6.6830 -6.2701 -6.2701 -3.5496 -3.5496 -3.0416 -3.0416 -2.9558 -2.9558 -2.6534 -2.6534 -2.4699 -2.4699 -1.9028 -1.9028 -1.3361 -1.3361 -1.1876 -1.1876 -1.0459 -1.0459 -0.4887 -0.4887 -0.3818 -0.3818 0.6233 0.6233 0.7795 0.7795 0.9983 0.9983 1.2335 1.2335 1.3762 1.3762 1.6105 1.6105 1.7967 1.7967 1.9313 1.9313 2.0525 2.0525 2.2365 2.2365 2.5033 2.5033 2.7726 2.7726 2.9310 2.9310 3.2775 3.2775 3.4492 3.4492 3.5620 3.5620 3.7124 3.7124 3.8075 3.8075 4.3240 4.3240 4.4745 4.4745 4.6667 4.6667 4.8037 4.8037 5.0062 5.0062 5.1104 5.1104 5.3595 5.3595 5.7559 5.7559 5.8521 5.8521 6.1836 6.1836 6.4854 6.4854 6.8829 6.8829 7.3397 7.3397 7.4860 7.4860 7.8089 7.8089 7.9972 7.9972 8.1363 8.1363 8.2363 8.2363 8.4721 8.4723 8.5737 8.5739 8.7006 8.7021 8.8799 8.8879 8.9771 8.9906 k = 0.4862 0.5155 0.0195 ( 17238 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4988-380.4972-281.7589-281.7532 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3.2890 3.4386 3.4580 3.5501 3.5715 3.7088 3.7147 3.8026 3.8113 4.3159 4.3309 4.4704 4.4744 4.6578 4.6727 4.7990 4.8056 4.9985 5.0102 5.1062 5.1136 5.3533 5.3615 5.7502 5.7583 5.8441 5.8568 6.1803 6.1845 6.4746 6.4944 6.8740 6.8919 7.3354 7.3422 7.4759 7.4951 7.8015 7.8155 7.9882 8.0061 8.1245 8.1410 8.2291 8.2430 8.4637 8.4784 8.5672 8.5770 8.6910 8.7101 8.8766 8.8849 8.9649 8.9851 k = 0.4724 0.5293 0.0389 ( 17238 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4959-380.4929-281.7632-281.7631 -251.7115-251.7092-140.0473-140.0468-127.2944-127.2859-117.2895-117.2895 -116.8172-116.8164-110.2906-110.2898 -87.0685 -87.0665 -80.1103 -80.1100 -76.3480 -76.3480 -73.5937 -73.5931 -68.6018 -68.5985 -63.4047 -63.3981 -57.5827 -57.5825 -55.3447 -55.3444 -46.0828 -46.0810 -43.8476 -43.8377 -41.2448 -41.2445 -33.2122 -33.2103 -29.2312 -29.2308 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8.7222 8.8770 8.8916 8.9541 8.9997 k = 0.4586 0.5430 0.0584 ( 17256 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5181-380.5143-281.7794-281.7717 -251.7199-251.7166-140.0528-140.0497-127.3671-127.3589-117.2973-117.2970 -116.8206-116.8198-110.2947-110.2939 -87.0982 -87.0867 -80.1367 -80.1362 -76.3519 -76.3514 -73.5957 -73.5947 -68.6305 -68.6243 -63.4324 -63.4250 -57.5842 -57.5839 -55.3606 -55.3601 -46.1003 -46.0944 -43.8992 -43.8821 -41.2572 -41.2569 -33.2234 -33.2194 -29.2394 -29.2362 -21.3186 -21.3146 -18.8677 -18.8673 -17.1710 -17.1705 -14.5583 -14.5560 -13.5483 -13.5463 -12.6410 -12.6401 -10.3722 -10.3668 -9.2798 -9.2795 -8.5349 -8.5286 -7.9025 -7.8824 -7.7528 -7.7430 -7.5601 -7.5437 -7.4076 -7.3995 -7.2908 -7.2797 -7.0861 -7.0730 -6.6842 -6.6808 -6.2735 -6.2720 -3.5550 -3.5503 -3.0524 -3.0465 -2.9625 -2.9547 -2.6597 -2.6520 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3.3202 3.4046 3.4708 3.5285 3.6012 3.7025 3.7236 3.7967 3.8278 4.2918 4.3483 4.4574 4.4708 4.6264 4.6814 4.7736 4.7995 4.9703 5.0092 5.1005 5.1303 5.3234 5.3588 5.7348 5.7638 5.8196 5.8670 6.1711 6.1868 6.4421 6.5159 6.8564 6.9243 7.3197 7.3458 7.4516 7.5241 7.7820 7.8348 7.9773 8.0395 8.0929 8.1354 8.2240 8.2590 8.4421 8.4841 8.5461 8.5803 8.6744 8.7455 8.8743 8.9079 8.9288 9.0010 k = 0.4310 0.5705 0.0973 ( 17256 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5125-380.5087-281.7787-281.7747 -251.7203-251.7182-140.0523-140.0506-127.3627-127.3528-117.2972-117.2967 -116.8217-116.8215-110.2946-110.2939 -87.0994 -87.0943 -80.1412 -80.1409 -76.3513 -76.3509 -73.5956 -73.5949 -68.6295 -68.6265 -63.4375 -63.4286 -57.5847 -57.5844 -55.3640 -55.3636 -46.1022 -46.1000 -43.8790 -43.8628 -41.2555 -41.2551 -33.2210 -33.2191 -29.2376 -29.2360 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8.7586 8.8751 8.9173 8.9261 9.0005 k = 0.4173 0.5842 0.1168 ( 17256 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5153-380.5068-281.7845-281.7765 -251.7194-251.7140-140.0518-140.0485-127.3698-127.3542-117.2979-117.2974 -116.8211-116.8199-110.2961-110.2947 -87.1087 -87.0953 -80.1407 -80.1399 -76.3518 -76.3510 -73.5951 -73.5940 -68.6335 -68.6231 -63.4368 -63.4280 -57.5846 -57.5843 -55.3598 -55.3592 -46.1010 -46.0939 -43.8792 -43.8727 -41.2544 -41.2538 -33.2217 -33.2152 -29.2365 -29.2326 -21.3409 -21.3386 -18.8682 -18.8680 -17.1714 -17.1707 -14.5594 -14.5566 -13.5489 -13.5461 -12.6423 -12.6406 -10.3694 -10.3626 -9.2781 -9.2777 -8.5267 -8.5146 -7.9422 -7.9089 -7.7546 -7.7393 -7.5625 -7.5400 -7.4006 -7.3905 -7.2903 -7.2669 -7.0831 -7.0580 -6.6810 -6.6749 -6.2803 -6.2777 -3.5577 -3.5488 -3.0557 -3.0462 -2.9648 -2.9493 -2.6642 -2.6490 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3.3403 3.3792 3.4614 3.5418 3.6285 3.7113 3.7403 3.8050 3.8533 4.2720 4.3548 4.4434 4.4584 4.5928 4.6690 4.7293 4.7816 4.9444 4.9946 5.1007 5.1534 5.2791 5.3455 5.7191 5.7675 5.8067 5.8745 6.1620 6.1877 6.4174 6.5277 6.8552 6.9615 7.3043 7.3436 7.4376 7.5501 7.7629 7.8475 7.9835 8.0531 8.0963 8.1166 8.2280 8.2688 8.4298 8.4703 8.5452 8.5734 8.6732 8.7809 8.8734 8.9191 8.9546 9.0190 k = 0.3897 0.6117 0.1557 ( 17236 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4863-380.4755-281.7739-281.7707 -251.7035-251.7000-140.0485-140.0478-127.3123-127.2886-117.2940-117.2931 -116.8151-116.8143-110.2918-110.2907 -87.0624 -87.0558 -80.1161 -80.1152 -76.3480 -76.3470 -73.5921 -73.5918 -68.6044 -68.5975 -63.4142 -63.3987 -57.5825 -57.5824 -55.3435 -55.3431 -46.0858 -46.0822 -43.8288 -43.8085 -41.2427 -41.2419 -33.2105 -33.2061 -29.2240 -29.2225 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8.7880 8.8669 8.9179 8.9556 9.0139 k = 0.3759 0.6254 0.1752 ( 17248 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4931-380.4861-281.7870-281.7868 -251.7065-251.7050-140.0518-140.0517-127.3537-127.3393-117.2989-117.2974 -116.8174-116.8166-110.2956-110.2950 -87.0820 -87.0805 -80.1360 -80.1352 -76.3499 -76.3488 -73.5932 -73.5927 -68.6230 -68.6216 -63.4299 -63.4206 -57.5838 -57.5835 -55.3542 -55.3540 -46.0966 -46.0951 -43.8383 -43.8227 -41.2495 -41.2486 -33.2138 -33.2131 -29.2264 -29.2253 -21.3674 -21.3609 -18.8657 -18.8652 -17.1671 -17.1668 -14.5561 -14.5550 -13.5450 -13.5445 -12.6408 -12.6406 -10.3546 -10.3527 -9.2739 -9.2734 -8.5123 -8.4955 -7.9893 -7.9511 -7.7542 -7.7358 -7.5634 -7.5381 -7.3904 -7.3825 -7.2837 -7.2483 -7.0732 -7.0399 -6.6753 -6.6679 -6.2899 -6.2863 -3.5596 -3.5496 -3.0582 -3.0456 -2.9642 -2.9408 -2.6668 -2.6463 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3.3226 3.3900 3.4568 3.5518 3.6388 3.7199 3.7560 3.8115 3.8726 4.2587 4.3476 4.4313 4.4431 4.5701 4.6450 4.6888 4.7659 4.9314 4.9805 5.0986 5.1671 5.2428 5.3313 5.7043 5.7654 5.8044 5.8734 6.1488 6.1843 6.4073 6.5300 6.8586 6.9830 7.2918 7.3384 7.4305 7.5612 7.7459 7.8484 7.9784 8.0449 8.0923 8.1277 8.2103 8.2765 8.4137 8.4683 8.5443 8.5637 8.6724 8.7893 8.8600 8.9149 8.9575 9.0078 k = 0.3524 0.6176 0.1863 ( 17248 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4963-380.4916-281.7795-281.7792 -251.7071-251.7053-140.0500-140.0488-127.3539-127.3431-117.3012-117.3003 -116.8177-116.8168-110.2926-110.2921 -87.0763 -87.0759 -80.1344 -80.1338 -76.3503 -76.3498 -73.5926 -73.5922 -68.6210 -68.6182 -63.4301 -63.4231 -57.5838 -57.5836 -55.3564 -55.3562 -46.0975 -46.0971 -43.8530 -43.8389 -41.2514 -41.2506 -33.2160 -33.2143 -29.2283 -29.2264 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8.7948 8.8464 8.9076 8.9613 9.0156 k = 0.3289 0.6098 0.1974 ( 17259 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5101-380.5030-281.7872-281.7864 -251.7174-251.7161-140.0522-140.0502-127.3778-127.3619-117.3024-117.3016 -116.8223-116.8216-110.2941-110.2935 -87.1004 -87.0990 -80.1484 -80.1477 -76.3519 -76.3514 -73.5945 -73.5941 -68.6341 -68.6319 -63.4441 -63.4346 -57.5856 -57.5854 -55.3674 -55.3671 -46.1073 -46.1063 -43.8660 -43.8503 -41.2599 -41.2592 -33.2243 -33.2232 -29.2361 -29.2336 -21.3566 -21.3545 -18.8698 -18.8686 -17.1698 -17.1696 -14.5573 -14.5556 -13.5477 -13.5470 -12.6440 -12.6432 -10.3678 -10.3671 -9.2775 -9.2768 -8.5061 -8.4876 -8.0098 -7.9688 -7.7532 -7.7370 -7.5694 -7.5434 -7.3871 -7.3786 -7.2772 -7.2355 -7.0747 -7.0393 -6.6723 -6.6650 -6.2935 -6.2904 -3.5628 -3.5513 -3.0626 -3.0483 -2.9685 -2.9398 -2.6713 -2.6462 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3.2999 3.4226 3.4661 3.5628 3.6368 3.7228 3.7725 3.8186 3.8801 4.2475 4.3331 4.4097 4.4362 4.5512 4.6100 4.6765 4.7381 4.9114 4.9766 5.0864 5.1571 5.2190 5.3275 5.6793 5.7611 5.8085 5.8824 6.1234 6.1716 6.4196 6.5484 6.8845 7.0255 7.2588 7.3070 7.4228 7.5458 7.7096 7.8254 7.9345 8.0166 8.0881 8.1375 8.1965 8.2805 8.4112 8.4733 8.5453 8.5612 8.6902 8.8007 8.8209 8.8885 8.9611 9.0180 k = 0.2819 0.5941 0.2196 ( 17252 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5052-380.5006-281.7787-281.7785 -251.7119-251.7101-140.0498-140.0487-127.3687-127.3585-117.3014-117.3009 -116.8192-116.8185-110.2933-110.2924 -87.0794 -87.0791 -80.1368 -80.1365 -76.3510 -76.3506 -73.5937 -73.5931 -68.6235 -68.6208 -63.4331 -63.4270 -57.5841 -57.5838 -55.3587 -55.3585 -46.0978 -46.0978 -43.8715 -43.8649 -41.2550 -41.2541 -33.2195 -33.2182 -29.2334 -29.2322 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8.7965 8.8182 8.8792 8.9690 9.0214 k = 0.2584 0.5862 0.2308 ( 17256 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5145-380.5069-281.7878-281.7852 -251.7158-251.7120-140.0515-140.0496-127.3849-127.3689-117.3019-117.3015 -116.8221-116.8205-110.2959-110.2942 -87.0934 -87.0880 -80.1428 -80.1426 -76.3522 -76.3517 -73.5944 -73.5936 -68.6281 -68.6213 -63.4408 -63.4312 -57.5853 -57.5847 -55.3632 -55.3629 -46.1038 -46.1004 -43.8885 -43.8833 -41.2571 -41.2561 -33.2233 -33.2193 -29.2365 -29.2343 -21.3546 -21.3487 -18.8682 -18.8668 -17.1688 -17.1687 -14.5582 -14.5565 -13.5461 -13.5445 -12.6440 -12.6424 -10.3619 -10.3571 -9.2766 -9.2760 -8.4945 -8.4749 -8.0379 -7.9969 -7.7518 -7.7388 -7.5716 -7.5472 -7.3814 -7.3727 -7.2638 -7.2164 -7.0735 -7.0367 -6.6678 -6.6610 -6.2991 -6.2966 -3.5637 -3.5523 -3.0632 -3.0479 -2.9713 -2.9375 -2.6759 -2.6489 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3.2812 3.4540 3.4839 3.5775 3.6323 3.7321 3.8001 3.8303 3.8899 4.2315 4.3147 4.3823 4.4289 4.5276 4.5754 4.6745 4.7149 4.8920 4.9675 5.0734 5.1370 5.2135 5.3190 5.6663 5.7488 5.8183 5.8910 6.1045 6.1579 6.4470 6.5663 6.9078 7.0551 7.2291 7.2881 7.4156 7.5211 7.6853 7.7958 7.9029 7.9897 8.0778 8.1279 8.1927 8.2831 8.4013 8.4760 8.5441 8.5731 8.7052 8.7772 8.8255 8.8616 8.9756 9.0237 k = 0.2114 0.5706 0.2530 ( 17239 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4957-380.4919-281.7756-281.7730 -251.7013-251.6992-140.0474-140.0455-127.3246-127.3159-117.2968-117.2966 -116.8168-116.8152-110.2920-110.2910 -87.0672 -87.0621 -80.1199 -80.1194 -76.3495 -76.3492 -73.5913 -73.5908 -68.6047 -68.6012 -63.4173 -63.4109 -57.5835 -57.5828 -55.3514 -55.3512 -46.0931 -46.0902 -43.8608 -43.8559 -41.2474 -41.2467 -33.2134 -33.2116 -29.2274 -29.2261 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8.7691 8.8294 8.8555 8.9844 9.0289 k = 0.1879 0.5627 0.2641 ( 17231 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4855-380.4787-281.7724-281.7679 -251.6941-251.6908-140.0480-140.0455-127.3112-127.2972-117.2958-117.2955 -116.8137-116.8119-110.2906-110.2898 -87.0463 -87.0376 -80.1103 -80.1098 -76.3479 -76.3474 -73.5901 -73.5898 -68.5980 -68.5918 -63.4088 -63.3998 -57.5822 -57.5815 -55.3452 -55.3450 -46.0887 -46.0838 -43.8424 -43.8375 -41.2444 -41.2436 -33.2112 -33.2077 -29.2247 -29.2226 -21.3275 -21.3209 -18.8574 -18.8562 -17.1605 -17.1602 -14.5522 -14.5507 -13.5372 -13.5355 -12.6345 -12.6336 -10.3363 -10.3322 -9.2725 -9.2710 -8.4816 -8.4637 -8.0603 -8.0245 -7.7507 -7.7407 -7.5684 -7.5492 -7.3755 -7.3695 -7.2437 -7.1982 -7.0702 -7.0360 -6.6625 -6.6568 -6.3041 -6.3022 -3.5623 -3.5525 -3.0570 -3.0436 -2.9671 -2.9353 -2.6759 -2.6503 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3.2663 3.4827 3.5059 3.5941 3.6305 3.7500 3.8282 3.8435 3.8979 4.2135 4.2861 4.3567 4.4130 4.5083 4.5459 4.6767 4.6989 4.8807 4.9455 5.0670 5.1147 5.2190 5.3038 5.6647 5.7306 5.8301 5.8917 6.0956 6.1450 6.4809 6.5779 6.9283 7.0530 7.2153 7.2818 7.4070 7.4878 7.6785 7.7736 7.8790 7.9661 8.0603 8.1268 8.1844 8.2752 8.3804 8.4679 8.5431 8.6033 8.7044 8.7579 8.8311 8.8507 8.9937 9.0307 k = 0.1410 0.5470 0.2863 ( 17235 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4886-380.4804-281.7666-281.7626 -251.6984-251.6946-140.0495-140.0471-127.3298-127.3123-117.2975-117.2965 -116.8153-116.8141-110.2905-110.2892 -87.0582 -87.0505 -80.1151 -80.1147 -76.3483 -76.3476 -73.5910 -73.5903 -68.6072 -68.5989 -63.4138 -63.4044 -57.5825 -57.5819 -55.3483 -55.3480 -46.0893 -46.0848 -43.8464 -43.8359 -41.2474 -41.2469 -33.2145 -33.2093 -29.2272 -29.2248 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8.7536 8.8314 8.8500 8.9982 9.0397 k = 0.1175 0.5392 0.2974 ( 17232 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4817-380.4763-281.7623-281.7590 -251.6973-251.6949-140.0502-140.0487-127.3256-127.3137-117.2968-117.2963 -116.8147-116.8134-110.2902-110.2890 -87.0449 -87.0390 -80.1150 -80.1146 -76.3476 -76.3469 -73.5911 -73.5910 -68.6010 -68.5957 -63.4126 -63.4052 -57.5818 -57.5812 -55.3449 -55.3447 -46.0853 -46.0821 -43.8386 -43.8261 -41.2447 -41.2443 -33.2112 -33.2078 -29.2251 -29.2235 -21.2933 -21.2887 -18.8585 -18.8572 -17.1632 -17.1628 -14.5536 -14.5524 -13.5364 -13.5349 -12.6321 -12.6316 -10.3441 -10.3379 -9.2721 -9.2714 -8.4703 -8.4570 -8.0748 -8.0495 -7.7497 -7.7430 -7.5680 -7.5546 -7.3731 -7.3693 -7.2263 -7.1920 -7.0636 -7.0385 -6.6589 -6.6549 -6.3084 -6.3072 -3.5621 -3.5559 -3.0579 -3.0481 -2.9633 -2.9392 -2.6748 -2.6564 -2.4699 -2.4651 -1.9043 -1.8987 -1.3361 -1.3203 -1.2155 -1.1809 -1.0406 -1.0046 -0.3504 -0.3333 -0.0643 -0.0278 0.2718 0.2922 0.4410 0.4984 0.8207 0.8493 1.0427 1.0954 1.2652 1.3734 1.4942 1.5440 1.6886 1.7284 1.8827 1.9023 2.3812 2.4133 2.4899 2.5147 2.6425 2.6852 2.8828 2.9027 3.1275 3.2046 3.2112 3.2609 3.4993 3.5169 3.6030 3.6299 3.7657 3.8352 3.8571 3.9012 4.2027 4.2609 4.3470 4.3977 4.5002 4.5287 4.6793 4.6931 4.8776 4.9267 5.0666 5.1012 5.2269 5.2906 5.6685 5.7175 5.8383 5.8861 6.0963 6.1348 6.5048 6.5802 6.9414 7.0362 7.2188 7.2786 7.4035 7.4635 7.6829 7.7617 7.8692 7.9471 8.0584 8.1302 8.1739 8.2574 8.3718 8.4500 8.5513 8.6154 8.7015 8.7507 8.8331 8.8521 9.0171 9.0359 k = 0.0940 0.5314 0.3085 ( 17230 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4783-380.4723-281.7669-281.7634 -251.6944-251.6914-140.0502-140.0485-127.3123-127.2994-117.2969-117.2967 -116.8145-116.8132-110.2884-110.2879 -87.0417 -87.0351 -80.1118 -80.1112 -76.3471 -76.3465 -73.5905 -73.5901 -68.6026 -68.5971 -63.4091 -63.4014 -57.5821 -57.5816 -55.3422 -55.3420 -46.0837 -46.0800 -43.8252 -43.8137 -41.2435 -41.2432 -33.2100 -33.2067 -29.2233 -29.2208 -21.3077 -21.3032 -18.8565 -18.8553 -17.1631 -17.1625 -14.5545 -14.5526 -13.5362 -13.5346 -12.6320 -12.6312 -10.3412 -10.3366 -9.2712 -9.2705 -8.4669 -8.4559 -8.0775 -8.0565 -7.7493 -7.7436 -7.5667 -7.5559 -7.3728 -7.3697 -7.2196 -7.1920 -7.0610 -7.0404 -6.6578 -6.6546 -6.3094 -6.3084 -3.5616 -3.5562 -3.0566 -3.0485 -2.9605 -2.9413 -2.6740 -2.6586 -2.4685 -2.4644 -1.9038 -1.8990 -1.3336 -1.3211 -1.2126 -1.1846 -1.0367 -1.0066 -0.3442 -0.3301 -0.0411 -0.0076 0.2484 0.2682 0.4317 0.4790 0.8213 0.8441 1.0543 1.0996 1.2744 1.3691 1.4910 1.5361 1.6903 1.7259 1.8812 1.8982 2.3879 2.4143 2.4941 2.5143 2.6481 2.6826 2.8863 2.9037 3.1395 3.2043 3.2238 3.2598 3.5064 3.5220 3.6077 3.6302 3.7760 3.8356 3.8663 3.9026 4.1992 4.2478 4.3456 4.3896 4.4983 4.5212 4.6807 4.6916 4.8780 4.9178 5.0680 5.0957 5.2319 5.2836 5.6718 5.7114 5.8426 5.8822 6.0982 6.1301 6.5169 6.5792 6.9482 7.0256 7.2236 7.2760 7.4032 7.4519 7.6880 7.7553 7.8681 7.9359 8.0626 8.1314 8.1712 8.2454 8.3717 8.4392 8.5574 8.6156 8.7046 8.7478 8.8337 8.8528 9.0090 9.0336 k = 0.0705 0.5235 0.3196 ( 17237 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4890-380.4813-281.7635-281.7632 -251.6987-251.6963-140.0509-140.0500-127.3454-127.3288-117.2999-117.2994 -116.8164-116.8156-110.2895-110.2887 -87.0506 -87.0501 -80.1232 -80.1227 -76.3486 -76.3478 -73.5913 -73.5909 -68.6104 -68.6072 -63.4231 -63.4128 -57.5824 -57.5822 -55.3500 -55.3498 -46.0883 -46.0876 -43.8497 -43.8365 -41.2485 -41.2482 -33.2133 -33.2118 -29.2267 -29.2249 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8.7440 8.8352 8.8493 9.0035 9.0303 k = 0.0470 0.5157 0.3307 ( 17230 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4784-380.4754-281.7592-281.7587 -251.6904-251.6896-140.0497-140.0486-127.3296-127.3238-117.2988-117.2979 -116.8132-116.8128-110.2892-110.2887 -87.0363 -87.0360 -80.1157 -80.1155 -76.3472 -76.3464 -73.5898 -73.5897 -68.6011 -68.5994 -63.4130 -63.4091 -57.5812 -57.5810 -55.3431 -55.3428 -46.0818 -46.0815 -43.8388 -43.8329 -41.2445 -41.2442 -33.2093 -33.2080 -29.2224 -29.2211 -21.2851 -21.2842 -18.8562 -18.8559 -17.1638 -17.1635 -14.5554 -14.5544 -13.5349 -13.5343 -12.6313 -12.6311 -10.3341 -10.3315 -9.2717 -9.2715 -8.4610 -8.4551 -8.0793 -8.0682 -7.7483 -7.7453 -7.5645 -7.5593 -7.3722 -7.3708 -7.2094 -7.1950 -7.0560 -7.0447 -6.6558 -6.6541 -6.3107 -6.3102 -3.5612 -3.5580 -3.0552 -3.0516 -2.9563 -2.9466 -2.6707 -2.6629 -2.4673 -2.4651 -1.9025 -1.8997 -1.3291 -1.3230 -1.2056 -1.1920 -1.0284 -1.0138 -0.3342 -0.3268 0.0012 0.0234 0.2116 0.2263 0.4233 0.4478 0.8239 0.8353 1.0752 1.1002 1.2971 1.3503 1.4934 1.5199 1.6973 1.7179 1.8814 1.8910 2.3990 2.4126 2.5003 2.5112 2.6585 2.6761 2.8910 2.9009 3.1608 3.1950 3.2432 3.2587 3.5176 3.5256 3.6153 3.6277 3.7961 3.8285 3.8827 3.9015 4.1970 4.2228 4.3480 4.3727 4.4968 4.5087 4.6837 4.6891 4.8804 4.9006 5.0707 5.0847 5.2428 5.2694 5.6799 5.6999 5.8513 5.8724 6.1037 6.1201 6.5392 6.5718 6.9637 7.0033 7.2367 7.2664 7.4060 7.4307 7.7022 7.7392 7.8739 7.9116 8.0804 8.1239 8.1727 8.2163 8.3805 8.4175 8.5714 8.6046 8.7157 8.7406 8.8395 8.8481 9.0132 9.0395 k = 0.0235 0.5078 0.3418 ( 17230 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4758-380.4722-281.7640-281.7634 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3.5217 3.5253 3.6196 3.6261 3.8061 3.8228 3.8895 3.8991 4.1996 4.2128 4.3525 4.3652 4.4981 4.5040 4.6853 4.6879 4.8840 4.8943 5.0738 5.0807 5.2492 5.2623 5.6849 5.6948 5.8568 5.8674 6.1073 6.1155 6.5494 6.5659 6.9723 6.9923 7.2443 7.2598 7.4097 7.4221 7.7110 7.7301 7.8805 7.9000 8.0918 8.1146 8.1791 8.2027 8.3874 8.4064 8.5791 8.5960 8.7228 8.7357 8.8405 8.8449 9.0144 9.0202 k = 0.0000 0.5000 0.3529 ( 17236 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4779-380.4779-281.7721-281.7721 -251.6914-251.6914-140.0506-140.0506-127.3362-127.3362-117.2989-117.2989 -116.8138-116.8138-110.2913-110.2913 -87.0520 -87.0520 -80.1228 -80.1228 -76.3470 -76.3470 -73.5900 -73.5900 -68.6153 -68.6153 -63.4150 -63.4150 -57.5821 -57.5821 -55.3470 -55.3470 -46.0872 -46.0872 -43.8221 -43.8221 -41.2484 -41.2484 -33.2120 -33.2120 -29.2216 -29.2216 -21.3221 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8.8430 8.8448 9.0138 9.0224 k = 0.0000 0.5000 0.3529 ( 17236 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4779-380.4779-281.7721-281.7721 -251.6914-251.6914-140.0506-140.0506-127.3362-127.3362-117.2989-117.2989 -116.8138-116.8138-110.2913-110.2913 -87.0520 -87.0520 -80.1228 -80.1228 -76.3470 -76.3470 -73.5900 -73.5900 -68.6153 -68.6153 -63.4150 -63.4150 -57.5821 -57.5821 -55.3470 -55.3470 -46.0872 -46.0872 -43.8221 -43.8221 -41.2484 -41.2484 -33.2120 -33.2120 -29.2216 -29.2216 -21.3221 -21.3221 -18.8579 -18.8579 -17.1659 -17.1659 -14.5566 -14.5566 -13.5381 -13.5381 -12.6338 -12.6338 -10.3363 -10.3363 -9.2718 -9.2718 -8.4570 -8.4570 -8.0760 -8.0760 -7.7469 -7.7469 -7.5623 -7.5623 -7.3728 -7.3728 -7.2020 -7.2020 -7.0508 -7.0508 -6.6544 -6.6544 -6.3111 -6.3111 -3.5603 -3.5603 -3.0549 -3.0549 -2.9522 -2.9522 -2.6680 -2.6680 -2.4675 -2.4675 -1.9012 -1.9012 -1.3272 -1.3272 -1.1992 -1.1992 -1.0219 -1.0219 -0.3284 -0.3284 0.0281 0.0281 0.2023 0.2023 0.4285 0.4285 0.8284 0.8284 1.0914 1.0914 1.3240 1.3240 1.5046 1.5046 1.7074 1.7074 1.8853 1.8853 2.4073 2.4073 2.5064 2.5064 2.6679 2.6679 2.8967 2.8967 3.1797 3.1797 3.2543 3.2543 3.5243 3.5243 3.6228 3.6228 3.8148 3.8148 3.8949 3.8949 4.2049 4.2049 4.3578 4.3578 4.5002 4.5002 4.6863 4.6863 4.8884 4.8884 5.0765 5.0765 5.2554 5.2554 5.6896 5.6896 5.8616 5.8616 6.1105 6.1105 6.5581 6.5581 6.9817 6.9817 7.2519 7.2519 7.4151 7.4151 7.7205 7.7205 7.8893 7.8893 8.1033 8.1033 8.1893 8.1893 8.3958 8.3958 8.5872 8.5872 8.7292 8.7293 8.8419 8.8422 9.0150 9.0166 k = 0.0139 0.4862 0.3725 ( 17228 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4731-380.4709-281.7669-281.7650 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3.5150 3.5299 3.6126 3.6332 3.7998 3.8251 3.8865 3.9027 4.2021 4.2168 4.3514 4.3704 4.4949 4.5083 4.6822 4.6936 4.8850 4.8939 5.0717 5.0833 5.2511 5.2605 5.6868 5.6933 5.8497 5.8750 6.1035 6.1190 6.5495 6.5670 6.9760 6.9881 7.2507 7.2542 7.4105 7.4212 7.7165 7.7257 7.8782 7.9015 8.0930 8.1137 8.1878 8.1947 8.3909 8.4031 8.5734 8.6006 8.7239 8.7360 8.8311 8.8561 9.0148 9.0197 k = 0.0278 0.4723 0.3921 ( 17236 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4859-380.4807-281.7733-281.7710 -251.6898-251.6888-140.0530-140.0524-127.3496-127.3397-117.2997-117.2989 -116.8116-116.8113-110.2919-110.2911 -87.0375 -87.0326 -80.1230 -80.1227 -76.3480 -76.3473 -73.5906 -73.5905 -68.6170 -68.6141 -63.4201 -63.4132 -57.5812 -57.5811 -55.3450 -55.3448 -46.0867 -46.0836 -43.8495 -43.8399 -41.2502 -41.2497 -33.2144 -33.2122 -29.2228 -29.2225 -21.3097 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8.8188 8.8654 9.0133 9.0227 k = 0.0417 0.4585 0.4118 ( 17234 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4812-380.4744-281.7744-281.7700 -251.6922-251.6901-140.0522-140.0521-127.3411-127.3281-117.2992-117.2987 -116.8121-116.8117-110.2914-110.2904 -87.0349 -87.0265 -80.1193 -80.1190 -76.3475 -76.3469 -73.5910 -73.5907 -68.6120 -68.6076 -63.4151 -63.4078 -57.5813 -57.5812 -55.3454 -55.3452 -46.0886 -46.0837 -43.8308 -43.8260 -41.2488 -41.2485 -33.2140 -33.2111 -29.2226 -29.2222 -21.3109 -21.3053 -18.8579 -18.8568 -17.1642 -17.1641 -14.5535 -14.5533 -13.5385 -13.5373 -12.6329 -12.6315 -10.3386 -10.3347 -9.2730 -9.2722 -8.4577 -8.4538 -8.0795 -8.0726 -7.7605 -7.7318 -7.5817 -7.5472 -7.3827 -7.3621 -7.2077 -7.2004 -7.0629 -7.0503 -6.6522 -6.6452 -6.3102 -6.3036 -3.5606 -3.5594 -3.0589 -3.0504 -2.9550 -2.9463 -2.6692 -2.6641 -2.4685 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3.3002 3.4628 3.5091 3.5963 3.6479 3.7460 3.8111 3.8743 3.8961 4.2454 4.2696 4.3595 4.4331 4.4931 4.5466 4.6874 4.7273 4.8860 4.9170 5.0634 5.1085 5.2382 5.2748 5.6770 5.7000 5.8221 5.9136 6.0860 6.1421 6.5217 6.5883 6.9587 7.0077 7.2494 7.2587 7.4005 7.4427 7.7081 7.7430 7.8486 7.9400 8.0646 8.1268 8.1950 8.2179 8.3739 8.4202 8.5261 8.6206 8.7118 8.7482 8.8009 8.8882 9.0159 9.0292 k = 0.0694 0.4308 0.4510 ( 17238 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4877-380.4850-281.7740-281.7708 -251.6941-251.6914-140.0550-140.0535-127.3514-127.3434-117.3015-117.3010 -116.8132-116.8121-110.2905-110.2901 -87.0409 -87.0341 -80.1208 -80.1206 -76.3489 -76.3488 -73.5916 -73.5911 -68.6187 -68.6137 -63.4158 -63.4110 -57.5819 -57.5815 -55.3485 -55.3482 -46.0906 -46.0868 -43.8519 -43.8462 -41.2522 -41.2519 -33.2168 -33.2139 -29.2248 -29.2237 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8.7491 8.7952 8.8960 9.0192 9.0381 k = 0.0833 0.4170 0.4706 ( 17244 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4934-380.4930-281.7792-281.7737 -251.6971-251.6951-140.0569-140.0550-127.3620-127.3579-117.3020-117.3015 -116.8142-116.8134-110.2917-110.2906 -87.0516 -87.0419 -80.1284 -80.1281 -76.3497 -76.3494 -73.5924 -73.5920 -68.6290 -68.6258 -63.4217 -63.4191 -57.5824 -57.5822 -55.3553 -55.3548 -46.0977 -46.0926 -43.8587 -43.8541 -41.2575 -41.2569 -33.2210 -33.2192 -29.2280 -29.2271 -21.3143 -21.3080 -18.8606 -18.8600 -17.1658 -17.1657 -14.5548 -14.5540 -13.5435 -13.5428 -12.6363 -12.6356 -10.3461 -10.3436 -9.2760 -9.2746 -8.4552 -8.4476 -8.0821 -8.0702 -7.7700 -7.7162 -7.6044 -7.5375 -7.3988 -7.3605 -7.2165 -7.2038 -7.0824 -7.0602 -6.6397 -6.6288 -6.3014 -6.2904 -3.5623 -3.5597 -3.0641 -3.0500 -2.9591 -2.9440 -2.6715 -2.6621 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3.2823 3.3847 3.4773 3.5892 3.6363 3.7103 3.7839 3.8503 3.8826 4.2989 4.3120 4.3925 4.4915 4.5339 4.6057 4.7187 4.7865 4.9082 4.9434 5.0642 5.1428 5.2281 5.2903 5.6707 5.7035 5.8126 5.9388 6.0837 6.1581 6.4968 6.6019 6.9397 7.0241 7.2572 7.2637 7.3974 7.4672 7.7055 7.7600 7.8284 7.9733 8.0551 8.1257 8.2069 8.2483 8.3552 8.4271 8.4896 8.5955 8.7162 8.7471 8.7907 8.9092 9.0239 9.0473 k = 0.1111 0.3893 0.5098 ( 17258 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5027-380.5011-281.7872-281.7804 -251.7118-251.7075-140.0615-140.0598-127.4117-127.4034-117.3050-117.3044 -116.8192-116.8181-110.2951-110.2936 -87.0711 -87.0598 -80.1489 -80.1483 -76.3509 -76.3508 -73.5957 -73.5950 -68.6481 -68.6409 -63.4409 -63.4344 -57.5838 -57.5834 -55.3684 -55.3680 -46.1093 -46.1035 -43.8685 -43.8553 -41.2674 -41.2668 -33.2317 -33.2274 -29.2374 -29.2365 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8.7462 8.7923 8.9140 9.0295 9.0603 k = 0.1250 0.3754 0.5294 ( 17254 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4976-380.4952-281.7838-281.7803 -251.7086-251.7055-140.0612-140.0595-127.3957-127.3931-117.3029-117.3017 -116.8172-116.8161-110.2952-110.2946 -87.0610 -87.0549 -80.1451 -80.1449 -76.3502 -76.3498 -73.5955 -73.5948 -68.6406 -68.6368 -63.4338 -63.4331 -57.5830 -57.5826 -55.3653 -55.3650 -46.1056 -46.1027 -43.8544 -43.8484 -41.2643 -41.2637 -33.2276 -33.2258 -29.2351 -29.2345 -21.3157 -21.3125 -18.8651 -18.8645 -17.1681 -17.1679 -14.5550 -14.5545 -13.5471 -13.5465 -12.6385 -12.6379 -10.3617 -10.3611 -9.2774 -9.2754 -8.4507 -8.4400 -8.0837 -8.0701 -7.7717 -7.6994 -7.6267 -7.5340 -7.4146 -7.3658 -7.2288 -7.2118 -7.0996 -7.0716 -6.6221 -6.6106 -6.2867 -6.2745 -3.5639 -3.5595 -3.0729 -3.0511 -2.9630 -2.9409 -2.6731 -2.6600 -2.4737 -2.4678 -1.9065 -1.8986 -1.3489 -1.3361 -1.2262 -1.1779 -1.0540 -1.0028 -0.3717 -0.3304 -0.1585 -0.1480 0.2636 0.2797 0.5017 0.5664 0.8356 0.9148 1.0925 1.2336 1.3845 1.4477 1.4812 1.6034 1.7118 1.7449 1.9027 2.0297 2.2032 2.3159 2.4496 2.5137 2.6038 2.6388 2.7536 2.8929 2.9750 3.0633 3.0844 3.2115 3.3687 3.4664 3.5795 3.6192 3.6911 3.7754 3.8342 3.8771 4.3193 4.3363 4.4103 4.5035 4.5831 4.6511 4.7503 4.8387 4.9345 4.9615 5.0751 5.1693 5.2256 5.3027 5.6693 5.7048 5.8164 5.9419 6.0954 6.1663 6.4832 6.6067 6.9265 7.0295 7.2658 7.2746 7.4009 7.4844 7.7099 7.7666 7.8248 7.9884 8.0663 8.1266 8.2121 8.2697 8.3451 8.4140 8.4855 8.5732 8.7168 8.7476 8.7949 8.9167 9.0437 9.1079 k = 0.1389 0.3616 0.5490 ( 17258 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5052-380.5032-281.7832-281.7797 -251.7121-251.7086-140.0618-140.0602-127.4112-127.4048-117.3033-117.3023 -116.8182-116.8171-110.2960-110.2956 -87.0718 -87.0650 -80.1477 -80.1475 -76.3512 -76.3511 -73.5962 -73.5954 -68.6463 -68.6406 -63.4384 -63.4352 -57.5832 -57.5830 -55.3680 -55.3677 -46.1077 -46.1043 -43.8738 -43.8674 -41.2649 -41.2646 -33.2287 -33.2256 -29.2377 -29.2368 -21.3128 -21.3095 -18.8674 -18.8669 -17.1690 -17.1688 -14.5559 -14.5551 -13.5493 -13.5481 -12.6403 -12.6394 -10.3657 -10.3623 -9.2782 -9.2761 -8.4487 -8.4373 -8.0842 -8.0705 -7.7705 -7.6935 -7.6347 -7.5364 -7.4183 -7.3675 -7.2330 -7.2158 -7.1040 -7.0753 -6.6161 -6.6051 -6.2815 -6.2695 -3.5643 -3.5593 -3.0744 -3.0508 -2.9643 -2.9407 -2.6731 -2.6587 -2.4755 -2.4691 -1.9074 -1.8988 -1.3521 -1.3387 -1.2278 -1.1772 -1.0574 -1.0019 -0.3753 -0.3343 -0.1797 -0.1706 0.2712 0.2918 0.5131 0.5772 0.8394 0.9239 1.1116 1.2401 1.3930 1.4522 1.4867 1.6176 1.7253 1.7598 1.9118 2.0385 2.1956 2.3025 2.4447 2.5016 2.5932 2.6255 2.7426 2.8731 2.9482 3.0393 3.0587 3.1699 3.3668 3.4615 3.5746 3.6090 3.6812 3.7749 3.8260 3.8739 4.3260 4.3468 4.4166 4.5060 4.6042 4.6711 4.7682 4.8642 4.9470 4.9727 5.0828 5.1820 5.2261 5.3089 5.6693 5.7053 5.8209 5.9400 6.1046 6.1696 6.4768 6.6076 6.9198 7.0293 7.2694 7.2832 7.4047 7.4929 7.7139 7.7663 7.8274 7.9935 8.0760 8.1276 8.2137 8.2786 8.3399 8.4027 8.4865 8.5634 8.7139 8.7496 8.7965 8.9157 9.0435 9.0653 k = 0.1528 0.3478 0.5686 ( 17250 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4917-380.4904-281.7796-281.7759 -251.7052-251.7025-140.0618-140.0607-127.3894-127.3846-117.3021-117.3016 -116.8161-116.8154-110.2946-110.2939 -87.0581 -87.0502 -80.1380 -80.1378 -76.3499 -76.3497 -73.5950 -73.5943 -68.6353 -68.6311 -63.4287 -63.4247 -57.5825 -57.5822 -55.3625 -55.3623 -46.1037 -46.0991 -43.8501 -43.8427 -41.2600 -41.2598 -33.2240 -33.2215 -29.2323 -29.2316 -21.3138 -21.3043 -18.8636 -18.8636 -17.1661 -17.1660 -14.5541 -14.5536 -13.5454 -13.5448 -12.6377 -12.6369 -10.3586 -10.3540 -9.2763 -9.2739 -8.4466 -8.4344 -8.0844 -8.0711 -7.7678 -7.6875 -7.6403 -7.5387 -7.4199 -7.3688 -7.2364 -7.2190 -7.1062 -7.0776 -6.6102 -6.5999 -6.2760 -6.2644 -3.5641 -3.5587 -3.0741 -3.0484 -2.9642 -2.9387 -2.6726 -2.6566 -2.4737 -2.4670 -1.9071 -1.8979 -1.3534 -1.3403 -1.2270 -1.1757 -1.0600 -1.0003 -0.3779 -0.3381 -0.1991 -0.1912 0.2804 0.3041 0.5224 0.5867 0.8429 0.9316 1.1328 1.2457 1.3960 1.4592 1.4918 1.6328 1.7366 1.7757 1.9231 2.0417 2.1979 2.2961 2.4410 2.4895 2.5816 2.6145 2.7352 2.8523 2.9223 3.0133 3.0310 3.1320 3.3666 3.4571 3.5718 3.5987 3.6744 3.7784 3.8206 3.8721 4.3319 4.3571 4.4228 4.5080 4.6226 4.6889 4.7875 4.8880 4.9568 4.9883 5.0926 5.1938 5.2290 5.3161 5.6708 5.7080 5.8265 5.9371 6.1153 6.1731 6.4719 6.6084 6.9137 7.0281 7.2733 7.2936 7.4103 7.5016 7.7198 7.7642 7.8332 7.9979 8.0876 8.1300 8.2145 8.2873 8.3354 8.3918 8.4879 8.5586 8.7112 8.7548 8.7986 8.9140 9.0558 9.0800 k = 0.1667 0.3339 0.5882 ( 17260 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5000-380.4978-281.7819-281.7796 -251.7149-251.7132-140.0652-140.0647-127.4163-127.4131-117.3035-117.3034 -116.8193-116.8183-110.2958-110.2951 -87.0678 -87.0650 -80.1546 -80.1546 -76.3509 -76.3505 -73.5974 -73.5969 -68.6492 -68.6476 -63.4436 -63.4407 -57.5833 -57.5829 -55.3670 -55.3667 -46.1049 -46.1035 -43.8513 -43.8504 -41.2665 -41.2662 -33.2287 -33.2282 -29.2372 -29.2368 -21.3014 -21.3006 -18.8681 -18.8677 -17.1707 -17.1704 -14.5569 -14.5565 -13.5491 -13.5489 -12.6402 -12.6398 -10.3725 -10.3721 -9.2788 -9.2762 -8.4450 -8.4326 -8.0850 -8.0718 -7.7649 -7.6827 -7.6460 -7.5449 -7.4214 -7.3726 -7.2411 -7.2242 -7.1089 -7.0808 -6.6052 -6.5955 -6.2708 -6.2601 -3.5652 -3.5599 -3.0772 -3.0508 -2.9657 -2.9393 -2.6737 -2.6568 -2.4755 -2.4683 -1.9081 -1.8989 -1.3566 -1.3436 -1.2282 -1.1766 -1.0639 -1.0018 -0.3801 -0.3420 -0.2169 -0.2100 0.2901 0.3158 0.5293 0.5941 0.8460 0.9366 1.1543 1.2498 1.3947 1.4663 1.4978 1.6481 1.7440 1.7891 1.9360 2.0384 2.2093 2.2963 2.4344 2.4769 2.5661 2.6058 2.7288 2.8293 2.8945 2.9800 3.0051 3.1005 3.3656 3.4506 3.5684 3.5875 3.6672 3.7804 3.8147 3.8678 4.3357 4.3649 4.4274 4.5082 4.6372 4.7034 4.8057 4.9078 4.9625 5.0056 5.1018 5.2019 5.2343 5.3215 5.6720 5.7093 5.8311 5.9316 6.1253 6.1753 6.4660 6.6071 6.9067 7.0254 7.2766 7.3048 7.4176 7.5092 7.7263 7.7599 7.8406 8.0013 8.0978 8.1319 8.2136 8.2946 8.3287 8.3816 8.4862 8.5563 8.7079 8.7591 8.7986 8.9096 9.0594 9.0880 k = 0.1806 0.3201 0.6078 ( 17268 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5126-380.5098-281.7878-281.7877 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3.0757 3.3647 3.4436 3.5651 3.5781 3.6623 3.7827 3.8094 3.8637 4.3391 4.3711 4.4315 4.5074 4.6477 4.7155 4.8226 4.9237 4.9667 5.0237 5.1107 5.2089 5.2422 5.3276 5.6736 5.7117 5.8361 5.9261 6.1335 6.1774 6.4607 6.6055 6.9000 7.0216 7.2795 7.3166 7.4272 7.5171 7.7330 7.7547 7.8493 8.0045 8.1051 8.1360 8.2108 8.3012 8.3208 8.3741 8.4849 8.5577 8.7048 8.7644 8.7982 8.9027 9.0510 9.1023 k = 0.1944 0.3062 0.6274 ( 17272 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5206-380.5150-281.7885-281.7884 -251.7241-251.7210-140.0665-140.0663-127.4566-127.4429-117.3069-117.3054 -116.8231-116.8221-110.2978-110.2974 -87.0895 -87.0889 -80.1649 -80.1642 -76.3536 -76.3530 -73.5991 -73.5984 -68.6672 -68.6606 -63.4568 -63.4473 -57.5847 -57.5846 -55.3795 -55.3793 -46.1159 -46.1150 -43.8925 -43.8825 -41.2751 -41.2747 -33.2385 -33.2341 -29.2464 -29.2461 -21.3170 -21.3098 -18.8735 -18.8719 -17.1726 -17.1723 -14.5583 -14.5581 -13.5541 -13.5527 -12.6453 -12.6444 -10.3862 -10.3776 -9.2813 -9.2792 -8.4424 -8.4293 -8.0860 -8.0726 -7.7577 -7.6838 -7.6451 -7.5608 -7.4202 -7.3800 -7.2501 -7.2343 -7.1111 -7.0849 -6.5968 -6.5891 -6.2619 -6.2533 -3.5665 -3.5613 -3.0811 -3.0529 -2.9700 -2.9406 -2.6734 -2.6555 -2.4794 -2.4714 -1.9099 -1.9009 -1.3634 -1.3492 -1.2290 -1.1797 -1.0688 -1.0023 -0.3817 -0.3476 -0.2474 -0.2393 0.3108 0.3365 0.5407 0.6032 0.8523 0.9387 1.1931 1.2543 1.3934 1.4673 1.5209 1.6785 1.7430 1.8034 1.9657 2.0275 2.2489 2.3161 2.4177 2.4657 2.5386 2.5969 2.7169 2.7880 2.8306 2.8983 2.9753 3.0552 3.3648 3.4362 3.5599 3.5722 3.6616 3.7850 3.8062 3.8591 4.3424 4.3761 4.4352 4.5068 4.6561 4.7262 4.8375 4.9358 4.9704 5.0402 5.1175 5.2143 5.2514 5.3327 5.6758 5.7144 5.8405 5.9202 6.1393 6.1808 6.4559 6.6025 6.8931 7.0169 7.2820 7.3290 7.4390 7.5253 7.7390 7.7512 7.8590 8.0080 8.1088 8.1440 8.2064 8.3068 8.3140 8.3683 8.4847 8.5618 8.7029 8.7701 8.7978 8.8957 9.0387 9.1206 k = 0.2083 0.2924 0.6470 ( 17276 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5283-380.5207-281.7900-281.7892 -251.7306-251.7248-140.0657-140.0654-127.4753-127.4569-117.3087-117.3072 -116.8255-116.8237-110.2992-110.2981 -87.1009 -87.1000 -80.1708 -80.1701 -76.3548 -76.3541 -73.5998 -73.5989 -68.6696 -68.6591 -63.4644 -63.4519 -57.5855 -57.5852 -55.3826 -55.3824 -46.1181 -46.1179 -43.9097 -43.8964 -41.2764 -41.2761 -33.2412 -33.2344 -29.2477 -29.2472 -21.3198 -21.3117 -18.8752 -18.8734 -17.1747 -17.1744 -14.5597 -14.5594 -13.5562 -13.5540 -12.6473 -12.6459 -10.3909 -10.3790 -9.2829 -9.2803 -8.4413 -8.4281 -8.0865 -8.0724 -7.7533 -7.6894 -7.6379 -7.5702 -7.4185 -7.3841 -7.2546 -7.2392 -7.1107 -7.0857 -6.5938 -6.5869 -6.2586 -6.2511 -3.5673 -3.5620 -3.0818 -3.0526 -2.9713 -2.9403 -2.6728 -2.6550 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3.0201 3.3629 3.4218 3.5448 3.5716 3.6664 3.7821 3.8035 3.8459 4.3480 4.3801 4.4420 4.5031 4.6649 4.7419 4.8579 4.9485 4.9745 5.0656 5.1239 5.2222 5.2666 5.3400 5.6795 5.7197 5.8453 5.9101 6.1409 6.1924 6.4464 6.5941 6.8794 7.0069 7.2852 7.3538 7.4666 7.5429 7.7303 7.7632 7.8788 8.0146 8.1023 8.1636 8.1913 8.2985 8.3202 8.3636 8.4895 8.5714 8.7007 8.7802 8.7969 8.8777 8.9967 9.1546 k = 0.2361 0.2647 0.6863 ( 17276 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5255-380.5229-281.7883-281.7879 -251.7292-251.7278-140.0689-140.0686-127.4683-127.4626-117.3086-117.3085 -116.8253-116.8243-110.2975-110.2968 -87.0910 -87.0895 -80.1710 -80.1708 -76.3545 -76.3544 -73.6003 -73.6000 -68.6671 -68.6653 -63.4607 -63.4565 -57.5854 -57.5849 -55.3821 -55.3819 -46.1175 -46.1165 -43.9056 -43.8968 -41.2781 -41.2779 -33.2401 -33.2389 -29.2481 -29.2476 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8.7857 8.7993 8.8692 8.9788 9.1645 k = 0.2500 0.2509 0.7059 ( 17268 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5134-380.5107-281.7858-281.7856 -251.7233-251.7217-140.0671-140.0670-127.4343-127.4293-117.3063-117.3062 -116.8237-116.8230-110.2959-110.2950 -87.0838 -87.0834 -80.1624 -80.1622 -76.3530 -76.3527 -73.5987 -73.5986 -68.6568 -68.6549 -63.4513 -63.4475 -57.5851 -57.5848 -55.3785 -55.3784 -46.1146 -46.1144 -43.8738 -43.8681 -41.2742 -41.2737 -33.2370 -33.2358 -29.2440 -29.2438 -21.3106 -21.3104 -18.8698 -18.8696 -17.1716 -17.1715 -14.5586 -14.5583 -13.5531 -13.5525 -12.6455 -12.6450 -10.3840 -10.3815 -9.2806 -9.2784 -8.4399 -8.4276 -8.0876 -8.0695 -7.7381 -7.7085 -7.6066 -7.5934 -7.4134 -7.3928 -7.2630 -7.2484 -7.1027 -7.0805 -6.5900 -6.5846 -6.2535 -6.2484 -3.5657 -3.5609 -3.0819 -3.0510 -2.9718 -2.9367 -2.6695 -2.6507 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2.9990 3.3613 3.4158 3.5353 3.5804 3.6824 3.7799 3.8064 3.8368 4.3560 4.3791 4.4519 4.4999 4.6679 4.7539 4.8663 4.9538 4.9736 5.0775 5.1222 5.2253 5.2740 5.3437 5.6846 5.7295 5.8467 5.9075 6.1350 6.2084 6.4384 6.5822 6.8678 6.9975 7.2885 7.3788 7.4986 7.5662 7.7153 7.7813 7.8996 8.0237 8.0901 8.1702 8.1969 8.2955 8.3211 8.3768 8.5046 8.5809 8.7060 8.7851 8.8037 8.8615 8.9603 9.1209 k = 0.2639 0.2648 0.6861 ( 17287 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5308-380.5277-281.8021-281.8003 -251.7319-251.7308-140.0737-140.0731-127.4851-127.4803-117.3118-117.3114 -116.8270-116.8266-110.3000-110.2988 -87.1117 -87.1073 -80.1853 -80.1850 -76.3556 -76.3552 -73.6012 -73.6008 -68.6831 -68.6828 -63.4725 -63.4687 -57.5871 -57.5868 -55.3908 -55.3907 -46.1267 -46.1237 -43.8906 -43.8823 -41.2866 -41.2862 -33.2466 -33.2462 -29.2540 -29.2532 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8.7806 8.8053 8.8622 8.9707 9.1187 k = 0.2778 0.2788 0.6664 ( 17273 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5238-380.5154-281.7926-281.7915 -251.7276-251.7239-140.0680-140.0674-127.4483-127.4319-117.3071-117.3066 -116.8248-116.8239-110.2975-110.2966 -87.0893 -87.0860 -80.1653 -80.1651 -76.3542 -76.3533 -73.5998 -73.5990 -68.6651 -68.6593 -63.4572 -63.4472 -57.5854 -57.5851 -55.3800 -55.3799 -46.1171 -46.1146 -43.8874 -43.8762 -41.2759 -41.2756 -33.2394 -33.2361 -29.2475 -29.2463 -21.3221 -21.3149 -18.8721 -18.8712 -17.1738 -17.1735 -14.5601 -14.5591 -13.5552 -13.5542 -12.6467 -12.6464 -10.3873 -10.3829 -9.2820 -9.2802 -8.4402 -8.4275 -8.0896 -8.0734 -7.7317 -7.6986 -7.6140 -7.5860 -7.4168 -7.3987 -7.2624 -7.2489 -7.1065 -7.0849 -6.5874 -6.5819 -6.2550 -6.2495 -3.5655 -3.5605 -3.0833 -3.0542 -2.9711 -2.9372 -2.6704 -2.6529 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3.0290 3.3629 3.4146 3.5459 3.5758 3.6620 3.7830 3.8058 3.8524 4.3536 4.3701 4.4430 4.4890 4.6672 4.7440 4.8584 4.9516 4.9682 5.0787 5.1150 5.2436 5.2623 5.3525 5.6942 5.7411 5.8592 5.9147 6.1341 6.1933 6.4107 6.5677 6.8712 6.9983 7.2766 7.3544 7.4740 7.5431 7.7190 7.7762 7.9115 8.0285 8.1110 8.1731 8.2089 8.2911 8.3339 8.3710 8.5105 8.6132 8.6993 8.7722 8.8146 8.8670 9.0055 9.1196 k = 0.3056 0.3066 0.6269 ( 17262 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5230-380.5086-281.7880-281.7818 -251.7280-251.7200-140.0654-140.0632-127.4289-127.3981-117.3052-117.3033 -116.8249-116.8219-110.2968-110.2942 -87.0693 -87.0570 -80.1498 -80.1490 -76.3536 -76.3522 -73.5991 -73.5980 -68.6533 -68.6391 -63.4494 -63.4292 -57.5833 -57.5829 -55.3718 -55.3715 -46.1127 -46.1058 -43.9039 -43.8866 -41.2667 -41.2663 -33.2345 -33.2260 -29.2433 -29.2409 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8.7656 8.8189 8.8685 9.0127 9.0984 k = 0.3194 0.3206 0.6071 ( 17258 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5237-380.5070-281.7826-281.7751 -251.7283-251.7189-140.0643-140.0616-127.4358-127.4004-117.3042-117.3019 -116.8247-116.8211-110.2957-110.2931 -87.0655 -87.0499 -80.1439 -80.1431 -76.3535 -76.3518 -73.5989 -73.5976 -68.6517 -68.6349 -63.4468 -63.4238 -57.5823 -57.5822 -55.3663 -55.3659 -46.1083 -46.0992 -43.9221 -43.9027 -41.2637 -41.2635 -33.2331 -33.2230 -29.2403 -29.2375 -21.2971 -21.2881 -18.8667 -18.8647 -17.1695 -17.1692 -14.5571 -14.5546 -13.5508 -13.5469 -12.6419 -12.6386 -10.3976 -10.3861 -9.2796 -9.2762 -8.4420 -8.4302 -8.0893 -8.0786 -7.7189 -7.6862 -7.6192 -7.5711 -7.4233 -7.3998 -7.2583 -7.2477 -7.1067 -7.0885 -6.5856 -6.5781 -6.2619 -6.2548 -3.5616 -3.5576 -3.0797 -3.0567 -2.9632 -2.9369 -2.6658 -2.6543 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3.0744 3.3645 3.4187 3.5590 3.5806 3.6504 3.7757 3.8152 3.8602 4.3441 4.3671 4.4348 4.4849 4.6642 4.7298 4.8228 4.9119 4.9805 5.0726 5.0974 5.2335 5.2661 5.3619 5.7046 5.7548 5.8749 5.9223 6.1367 6.1765 6.3909 6.5478 6.8821 6.9966 7.2680 7.3241 7.4706 7.5315 7.7075 7.7780 7.9176 8.0418 8.1188 8.1560 8.2392 8.3003 8.3430 8.3922 8.5180 8.6447 8.6956 8.7498 8.8296 8.8700 9.0149 9.0846 k = 0.3472 0.3485 0.5676 ( 17265 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5281-380.5119-281.7910-281.7817 -251.7311-251.7221-140.0660-140.0637-127.4532-127.4181-117.3056-117.3036 -116.8261-116.8227-110.2979-110.2948 -87.0814 -87.0616 -80.1525 -80.1520 -76.3542 -76.3529 -73.5995 -73.5985 -68.6610 -68.6441 -63.4540 -63.4317 -57.5834 -57.5830 -55.3730 -55.3725 -46.1164 -46.1044 -43.9228 -43.9038 -41.2698 -41.2694 -33.2387 -33.2284 -29.2448 -29.2421 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8.7411 8.8336 8.8703 9.0074 9.0758 k = 0.3611 0.3624 0.5479 ( 17262 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5254-380.5070-281.7900-281.7812 -251.7291-251.7193-140.0661-140.0635-127.4629-127.4221-117.3055-117.3033 -116.8252-116.8218-110.2976-110.2946 -87.0714 -87.0526 -80.1494 -80.1485 -76.3537 -76.3522 -73.5991 -73.5980 -68.6632 -68.6441 -63.4524 -63.4264 -57.5824 -57.5818 -55.3689 -55.3684 -46.1126 -46.1013 -43.9292 -43.9049 -41.2679 -41.2675 -33.2377 -33.2259 -29.2423 -29.2391 -21.3144 -21.3011 -18.8687 -18.8664 -17.1690 -17.1685 -14.5570 -14.5541 -13.5517 -13.5471 -12.6421 -12.6383 -10.4037 -10.3896 -9.2793 -9.2756 -8.4464 -8.4375 -8.0850 -8.0795 -7.7069 -7.6826 -7.6130 -7.5579 -7.4323 -7.4007 -7.2582 -7.2497 -7.1055 -7.0930 -6.5875 -6.5767 -6.2725 -6.2631 -3.5606 -3.5566 -3.0772 -3.0650 -2.9607 -2.9426 -2.6632 -2.6581 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3.1508 3.3656 3.4286 3.5718 3.5884 3.6547 3.7557 3.8296 3.8576 4.3298 4.3679 4.4274 4.4787 4.6486 4.7032 4.7673 4.8505 4.9933 5.0473 5.0950 5.2033 5.2860 5.3669 5.7123 5.7660 5.8833 5.9310 6.1276 6.1701 6.3781 6.5243 6.8925 6.9909 7.2664 7.3028 7.4752 7.5297 7.6893 7.7853 7.9216 8.0437 8.1110 8.1735 8.2494 8.3021 8.3543 8.4254 8.5221 8.6606 8.6906 8.7357 8.8471 8.8729 8.9946 9.0611 k = 0.3889 0.3903 0.5084 ( 17249 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5067-380.4943-281.7792-281.7746 -251.7169-251.7112-140.0622-140.0594-127.4074-127.3794-117.3022-117.3000 -116.8200-116.8183-110.2929-110.2918 -87.0427 -87.0339 -80.1327 -80.1320 -76.3514 -76.3500 -73.5973 -73.5960 -68.6406 -68.6299 -63.4316 -63.4124 -57.5811 -57.5808 -55.3559 -55.3553 -46.0975 -46.0917 -43.8961 -43.8745 -41.2593 -41.2590 -33.2274 -33.2203 -29.2352 -29.2314 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8.7375 8.8515 8.8727 8.9828 9.0473 k = 0.4028 0.4042 0.4887 ( 17252 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5038-380.4999-281.7834-281.7759 -251.7167-251.7136-140.0615-140.0595-127.3974-127.3895-117.3019-117.3000 -116.8206-116.8191-110.2940-110.2925 -87.0592 -87.0438 -80.1361 -80.1360 -76.3512 -76.3506 -73.5970 -73.5965 -68.6417 -68.6361 -63.4265 -63.4205 -57.5818 -57.5816 -55.3601 -55.3594 -46.1033 -46.0936 -43.8831 -43.8731 -41.2608 -41.2605 -33.2268 -33.2235 -29.2364 -29.2345 -21.3156 -21.2951 -18.8638 -18.8626 -17.1671 -17.1669 -14.5564 -14.5545 -13.5476 -13.5459 -12.6395 -12.6375 -10.3835 -10.3807 -9.2787 -9.2752 -8.4538 -8.4480 -8.0790 -8.0694 -7.7000 -7.6827 -7.5976 -7.5486 -7.4385 -7.4006 -7.2596 -7.2489 -7.1014 -7.0934 -6.5930 -6.5786 -6.2840 -6.2724 -3.5592 -3.5535 -3.0708 -3.0648 -2.9585 -2.9406 -2.6638 -2.6557 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3.2440 3.3677 3.4447 3.5783 3.6050 3.6735 3.7274 3.8405 3.8507 4.3173 4.3717 4.4082 4.4736 4.5894 4.6726 4.7153 4.8018 4.9908 5.0225 5.1045 5.1776 5.3045 5.3668 5.7172 5.7716 5.8778 5.9436 6.1045 6.1814 6.3750 6.5027 6.8947 6.9852 7.2698 7.2988 7.4816 7.5386 7.6782 7.7967 7.9321 8.0263 8.1228 8.1979 8.2397 8.3062 8.3599 8.4514 8.5289 8.6587 8.6687 8.7430 8.8581 8.8775 8.9612 9.0290 k = 0.4306 0.4321 0.4492 ( 17279 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5390-380.5292-281.8028-281.7976 -251.7372-251.7331-140.0690-140.0663-127.4988-127.4759-117.3080-117.3057 -116.8291-116.8281-110.3016-110.3008 -87.1121 -87.1021 -80.1745 -80.1739 -76.3559 -76.3549 -73.6011 -73.6002 -68.6834 -68.6752 -63.4683 -63.4524 -57.5843 -57.5840 -55.3840 -55.3836 -46.1238 -46.1178 -43.9474 -43.9256 -41.2803 -41.2798 -33.2460 -33.2405 -29.2509 -29.2477 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8.7449 8.8577 8.8826 8.9547 9.0188 k = 0.4444 0.4460 0.4294 ( 17277 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5371-380.5314-281.8024-281.7991 -251.7368-251.7338-140.0672-140.0653-127.4772-127.4649-117.3064-117.3047 -116.8290-116.8282-110.3011-110.3003 -87.1116 -87.1051 -80.1723 -80.1720 -76.3559 -76.3551 -73.6010 -73.6004 -68.6744 -68.6695 -63.4640 -63.4553 -57.5852 -57.5851 -55.3847 -55.3841 -46.1240 -46.1201 -43.9398 -43.9287 -41.2797 -41.2793 -33.2448 -33.2418 -29.2499 -29.2481 -21.3594 -21.3527 -18.8738 -18.8727 -17.1713 -17.1712 -14.5601 -14.5583 -13.5564 -13.5554 -12.6493 -12.6485 -10.4103 -10.4069 -9.2810 -9.2789 -8.4658 -8.4623 -8.0672 -8.0513 -7.7057 -7.6769 -7.5816 -7.5447 -7.4439 -7.4033 -7.2682 -7.2530 -7.1011 -7.0915 -6.6032 -6.5856 -6.2944 -6.2812 -3.5614 -3.5538 -3.0748 -3.0655 -2.9659 -2.9443 -2.6667 -2.6528 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3.2971 3.3907 3.4600 3.5890 3.6258 3.6819 3.7171 3.8392 3.8584 4.3020 4.3657 4.3845 4.4631 4.5237 4.6197 4.7012 4.7824 4.9594 5.0236 5.1146 5.1610 5.3201 5.3629 5.7206 5.7700 5.8654 5.9510 6.0867 6.1967 6.3832 6.4890 6.8880 6.9767 7.2779 7.3134 7.4896 7.5540 7.6823 7.8148 7.9532 8.0156 8.1321 8.2024 8.2360 8.3079 8.3535 8.4657 8.5366 8.6447 8.6578 8.7446 8.8582 8.8964 8.9500 9.0144 k = 0.4722 0.4739 0.3899 ( 17286 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5375-380.5331-281.8089-281.8049 -251.7386-251.7354-140.0677-140.0662-127.4893-127.4807-117.3069-117.3056 -116.8303-116.8292-110.3029-110.3022 -87.1443 -87.1377 -80.1824 -80.1820 -76.3560 -76.3555 -73.6011 -73.6007 -68.6840 -68.6788 -63.4705 -63.4652 -57.5877 -57.5876 -55.3911 -55.3906 -46.1290 -46.1253 -43.9154 -43.9122 -41.2848 -41.2842 -33.2486 -33.2455 -29.2530 -29.2516 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8.7407 8.8584 8.9024 8.9513 9.0204 k = 0.4861 0.4878 0.3702 ( 17287 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5341-380.5316-281.8126-281.8096 -251.7382-251.7361-140.0691-140.0679-127.4927-127.4882-117.3080-117.3068 -116.8309-116.8301-110.3040-110.3033 -87.1467 -87.1416 -80.1837 -80.1833 -76.3560 -76.3555 -73.6012 -73.6008 -68.6857 -68.6827 -63.4692 -63.4661 -57.5877 -57.5876 -55.3916 -55.3910 -46.1295 -46.1264 -43.9066 -43.9054 -41.2848 -41.2842 -33.2477 -33.2460 -29.2537 -29.2528 -21.3946 -21.3897 -18.8771 -18.8765 -17.1724 -17.1719 -14.5611 -14.5603 -13.5596 -13.5589 -12.6527 -12.6520 -10.4039 -10.4037 -9.2826 -9.2802 -8.4796 -8.4768 -8.0474 -8.0276 -7.7160 -7.6721 -7.5684 -7.5398 -7.4453 -7.4042 -7.2760 -7.2595 -7.0998 -7.0858 -6.6169 -6.5973 -6.3003 -6.2868 -3.5615 -3.5534 -3.0756 -3.0607 -2.9705 -2.9460 -2.6667 -2.6517 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3.3080 3.4152 3.4744 3.5937 3.6417 3.6760 3.7313 3.8188 3.8849 4.2727 4.3341 4.3911 4.4480 4.5146 4.5750 4.7066 4.7773 4.9281 5.0288 5.1209 5.1510 5.3303 5.3592 5.7241 5.7619 5.8533 5.9449 6.0877 6.2133 6.4020 6.4861 6.8734 6.9621 7.2923 7.3372 7.4970 7.5658 7.7051 7.8376 7.9820 8.0194 8.1252 8.1835 8.2453 8.2980 8.3486 8.4694 8.5376 8.6326 8.6538 8.7309 8.8545 8.9204 8.9607 9.0101 k = 0.5000 0.5018 0.3504 ( 17274 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5225-380.5179-281.8034-281.8011 -251.7309-251.7289-140.0629-140.0617-127.4506-127.4412-117.3028-117.3019 -116.8279-116.8271-110.3014-110.3008 -87.1338 -87.1301 -80.1667 -80.1666 -76.3538 -76.3532 -73.5991 -73.5985 -68.6662 -68.6633 -63.4546 -63.4478 -57.5866 -57.5865 -55.3801 -55.3797 -46.1187 -46.1162 -43.8922 -43.8806 -41.2754 -41.2749 -33.2398 -33.2380 -29.2474 -29.2464 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8.7309 8.8557 8.9197 8.9626 9.0129 k = 0.5000 0.5018 0.3235 ( 17288 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5454-380.5362-281.8106-281.8092 -251.7423-251.7385-140.0674-140.0666-127.5144-127.4940-117.3065-117.3059 -116.8318-116.8309-110.3042-110.3039 -87.1502 -87.1487 -80.1858 -80.1853 -76.3567 -76.3560 -73.6017 -73.6011 -68.6923 -68.6853 -63.4783 -63.4643 -57.5874 -57.5872 -55.3907 -55.3906 -46.1271 -46.1268 -43.9460 -43.9255 -41.2856 -41.2850 -33.2503 -33.2459 -29.2534 -29.2526 -21.3929 -21.3866 -18.8762 -18.8757 -17.1736 -17.1734 -14.5623 -14.5614 -13.5614 -13.5601 -12.6532 -12.6525 -10.4169 -10.4089 -9.2836 -9.2810 -8.4906 -8.4880 -8.0280 -8.0070 -7.7222 -7.6719 -7.5641 -7.5372 -7.4422 -7.4035 -7.2808 -7.2639 -7.0976 -7.0831 -6.6295 -6.6096 -6.3015 -6.2884 -3.5609 -3.5531 -3.0733 -3.0571 -2.9712 -2.9477 -2.6650 -2.6504 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3.3142 3.4177 3.4829 3.5797 3.6324 3.6775 3.7348 3.7956 3.9036 4.2559 4.3130 4.4080 4.4559 4.5219 4.5762 4.7120 4.7696 4.9259 5.0264 5.1108 5.1420 5.3311 5.3600 5.7246 5.7602 5.8469 5.9289 6.0959 6.2153 6.4067 6.4924 6.8668 6.9548 7.2979 7.3417 7.4873 7.5609 7.7150 7.8437 7.9834 8.0255 8.1107 8.1655 8.2445 8.2869 8.3677 8.4740 8.5310 8.6218 8.6706 8.7241 8.8582 8.9268 8.9578 9.0381 k = 0.5000 0.5018 0.2696 ( 17286 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5468-380.5378-281.8063-281.8024 -251.7408-251.7367-140.0645-140.0643-127.4931-127.4743-117.3042-117.3040 -116.8303-116.8292-110.3025-110.3016 -87.1492 -87.1421 -80.1789 -80.1784 -76.3563 -76.3557 -73.6013 -73.6009 -68.6885 -68.6811 -63.4712 -63.4598 -57.5875 -57.5875 -55.3881 -55.3879 -46.1250 -46.1214 -43.9415 -43.9282 -41.2819 -41.2815 -33.2463 -33.2420 -29.2537 -29.2533 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8.7230 8.8622 8.9295 8.9571 9.0140 k = 0.5000 0.5018 0.2426 ( 17278 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5393-380.5324-281.8028-281.7990 -251.7364-251.7333-140.0624-140.0611-127.4651-127.4520-117.3025-117.3015 -116.8285-116.8277-110.3011-110.3004 -87.1324 -87.1269 -80.1685 -80.1678 -76.3552 -76.3546 -73.6003 -73.5999 -68.6751 -68.6696 -63.4594 -63.4528 -57.5866 -57.5865 -55.3819 -55.3817 -46.1192 -46.1171 -43.9301 -43.9261 -41.2763 -41.2760 -33.2411 -33.2381 -29.2499 -29.2480 -21.3716 -21.3672 -18.8724 -18.8711 -17.1738 -17.1735 -14.5615 -14.5602 -13.5581 -13.5566 -12.6487 -12.6477 -10.4050 -10.4029 -9.2837 -9.2812 -8.5089 -8.5064 -7.9888 -7.9678 -7.7303 -7.6789 -7.5618 -7.5372 -7.4309 -7.4026 -7.2867 -7.2713 -7.0934 -7.0801 -6.6517 -6.6341 -6.2960 -6.2852 -3.5584 -3.5510 -3.0680 -3.0515 -2.9704 -2.9491 -2.6631 -2.6507 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3.3306 3.4154 3.4804 3.5543 3.5936 3.6934 3.7292 3.7948 3.8847 4.2720 4.3163 4.4347 4.4743 4.5506 4.6378 4.7237 4.7638 4.9407 5.0265 5.1015 5.1318 5.3359 5.3648 5.7318 5.7618 5.8424 5.9060 6.1169 6.2178 6.4225 6.5030 6.8618 6.9396 7.3099 7.3489 7.4758 7.5478 7.7402 7.8572 7.9755 8.0560 8.0809 8.1492 8.2372 8.2826 8.4116 8.4791 8.5326 8.6119 8.6867 8.7249 8.8688 8.9291 8.9587 9.0181 k = 0.5000 0.5018 0.1887 ( 17266 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5323-380.5175-281.7966-281.7897 -251.7321-251.7245-140.0575-140.0571-127.4377-127.4039-117.2984-117.2981 -116.8265-116.8241-110.2991-110.2971 -87.1198 -87.1029 -80.1532 -80.1523 -76.3537 -76.3527 -73.5990 -73.5981 -68.6621 -68.6469 -63.4534 -63.4307 -57.5859 -57.5853 -55.3733 -55.3729 -46.1164 -46.1050 -43.9257 -43.9041 -41.2683 -41.2680 -33.2378 -33.2282 -29.2438 -29.2429 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8.7253 8.8715 8.9196 8.9587 9.0052 k = 0.5000 0.5018 0.1617 ( 17266 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5263-380.5210-281.7928-281.7898 -251.7315-251.7287-140.0556-140.0554-127.4172-127.4043-117.2970-117.2968 -116.8270-116.8260-110.2994-110.2985 -87.1297 -87.1215 -80.1507 -80.1504 -76.3530 -76.3526 -73.5981 -73.5977 -68.6527 -68.6466 -63.4431 -63.4339 -57.5860 -57.5856 -55.3740 -55.3737 -46.1138 -46.1078 -43.9100 -43.9016 -41.2666 -41.2663 -33.2337 -33.2297 -29.2453 -29.2452 -21.3752 -21.3633 -18.8689 -18.8688 -17.1684 -17.1684 -14.5572 -14.5569 -13.5524 -13.5511 -12.6451 -12.6436 -10.3989 -10.3945 -9.2794 -9.2775 -8.5234 -8.5216 -7.9453 -7.9249 -7.7412 -7.6964 -7.5596 -7.5387 -7.4199 -7.4018 -7.2892 -7.2781 -7.0901 -7.0791 -6.6704 -6.6576 -6.2854 -6.2778 -3.5557 -3.5504 -3.0612 -3.0473 -2.9674 -2.9528 -2.6611 -2.6518 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3.3402 3.4022 3.4729 3.5308 3.5875 3.7000 3.7276 3.7967 3.8449 4.2984 4.3261 4.4515 4.4811 4.5963 4.7024 4.7328 4.7849 4.9643 5.0259 5.0970 5.1237 5.3423 5.3668 5.7397 5.7634 5.8395 5.8823 6.1418 6.2121 6.4450 6.5058 6.8625 6.9182 7.3215 7.3496 7.4697 7.5255 7.7653 7.8558 7.9643 8.0496 8.0894 8.1423 8.2221 8.2757 8.4462 8.4788 8.5418 8.5975 8.6884 8.7243 8.8753 8.9050 8.9639 8.9924 k = 0.5000 0.5018 0.1078 ( 17268 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5173-380.5112-281.7913-281.7880 -251.7267-251.7240-140.0581-140.0570-127.3903-127.3760-117.2993-117.2985 -116.8251-116.8242-110.2979-110.2973 -87.1242 -87.1212 -80.1485 -80.1482 -76.3518 -76.3515 -73.5970 -73.5967 -68.6483 -68.6432 -63.4391 -63.4281 -57.5863 -57.5858 -55.3711 -55.3710 -46.1065 -46.1058 -43.8599 -43.8450 -41.2655 -41.2651 -33.2303 -33.2269 -29.2478 -29.2466 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8.7200 8.8744 8.8959 8.9666 8.9932 k = 0.5000 0.5018 0.0809 ( 17260 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5121-380.5081-281.7782-281.7737 -251.7242-251.7219-140.0559-140.0543-127.3600-127.3525-117.2976-117.2964 -116.8238-116.8228-110.2954-110.2944 -87.1094 -87.1029 -80.1366 -80.1361 -76.3511 -76.3503 -73.5962 -73.5956 -68.6311 -68.6284 -63.4275 -63.4213 -57.5849 -57.5844 -55.3640 -55.3635 -46.0997 -46.0967 -43.8570 -43.8476 -41.2593 -41.2588 -33.2238 -33.2222 -29.2437 -29.2421 -21.3206 -21.3183 -18.8673 -18.8662 -17.1717 -17.1714 -14.5592 -14.5578 -13.5487 -13.5482 -12.6397 -12.6394 -10.3756 -10.3721 -9.2815 -9.2802 -8.5327 -8.5317 -7.9049 -7.8889 -7.7528 -7.7232 -7.5575 -7.5450 -7.4126 -7.4038 -7.2911 -7.2849 -7.0860 -7.0803 -6.6821 -6.6753 -6.2756 -6.2720 -3.5531 -3.5504 -3.0548 -3.0462 -2.9654 -2.9562 -2.6595 -2.6542 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3.3031 3.4275 3.4651 3.5421 3.5769 3.7049 3.7205 3.7994 3.8179 4.3163 4.3275 4.4649 4.4790 4.6417 4.6852 4.7853 4.8053 4.9901 5.0170 5.1018 5.1161 5.3519 5.3637 5.7485 5.7600 5.8435 5.8619 6.1670 6.1964 6.4697 6.4970 6.8715 6.8957 7.3323 7.3446 7.4747 7.4999 7.7896 7.8294 7.9763 8.0186 8.1148 8.1445 8.2205 8.2546 8.4637 8.4756 8.5600 8.5825 8.6919 8.7106 8.8788 8.8877 8.9778 8.9901 k = 0.5000 0.5018 0.0270 ( 17238 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4910-380.4900-281.7607-281.7557 -251.7116-251.7113-140.0490-140.0486-127.2928-127.2915-117.2919-117.2916 -116.8183-116.8179-110.2898-110.2890 -87.0668 -87.0607 -80.1078 -80.1077 -76.3479 -76.3476 -73.5934 -73.5931 -68.5973 -68.5971 -63.3992 -63.3987 -57.5826 -57.5820 -55.3465 -55.3464 -46.0841 -46.0815 -43.8327 -43.8307 -41.2442 -41.2440 -33.2104 -33.2100 -29.2329 -29.2328 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8.7051 8.8784 8.8862 8.9742 8.9916 k = 0.5000 0.5018-0.0000 ( 17222 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4729-380.4729-281.7508-281.7508 -251.7030-251.7030-140.0403-140.0403-127.2321-127.2321-117.2846-117.2846 -116.8152-116.8152-110.2872-110.2872 -87.0626 -87.0626 -80.0861 -80.0861 -76.3450 -76.3450 -73.5906 -73.5906 -68.5718 -68.5718 -63.3766 -63.3766 -57.5820 -57.5820 -55.3327 -55.3327 -46.0708 -46.0708 -43.7982 -43.7982 -41.2320 -41.2320 -33.2002 -33.2002 -29.2242 -29.2242 -21.3054 -21.3054 -18.8517 -18.8517 -17.1600 -17.1600 -14.5498 -14.5498 -13.5329 -13.5329 -12.6277 -12.6277 -10.3510 -10.3510 -9.2724 -9.2724 -8.5347 -8.5347 -7.8791 -7.8791 -7.7476 -7.7476 -7.5484 -7.5484 -7.4045 -7.4045 -7.2836 -7.2836 -7.0801 -7.0801 -6.6830 -6.6830 -6.2701 -6.2701 -3.5496 -3.5496 -3.0416 -3.0416 -2.9558 -2.9558 -2.6534 -2.6534 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2.9635 3.4042 3.4042 3.6089 3.6089 3.6997 3.6997 3.8401 3.8401 4.3375 4.3375 4.5481 4.5481 4.7332 4.7332 4.8935 4.8935 5.0239 5.0239 5.1631 5.1631 5.2862 5.2862 5.7026 5.7026 5.8469 5.8469 6.1986 6.1986 6.5476 6.5476 6.9936 6.9936 7.3093 7.3093 7.5782 7.5782 7.7241 7.7241 7.8862 7.8862 8.0613 8.0613 8.2159 8.2159 8.3603 8.3603 8.5035 8.5035 8.6995 8.6996 8.8536 8.8538 9.0306 9.0325 k = 0.0192 0.0193 0.7059 ( 17242 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4766-380.4700-281.7971-281.7971 -251.6939-251.6906-140.0586-140.0573-127.3338-127.3203-117.2991-117.2980 -116.8105-116.8095-110.2894-110.2889 -87.0215 -87.0213 -80.1262 -80.1258 -76.3474 -76.3468 -73.5944 -73.5940 -68.6345 -68.6282 -63.4122 -63.4052 -57.5848 -57.5847 -55.3521 -55.3521 -46.0939 -46.0938 -43.7824 -43.7782 -41.2555 -41.2554 -33.2199 -33.2161 -29.2275 -29.2254 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8.7056 8.8467 8.8552 9.0251 9.0362 k = 0.0385 0.0386 0.7059 ( 17246 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4788-380.4739-281.7893-281.7892 -251.6965-251.6934-140.0600-140.0590-127.3417-127.3318-117.3002-117.2995 -116.8118-116.8107-110.2889-110.2881 -87.0316 -87.0311 -80.1319 -80.1316 -76.3480 -76.3474 -73.5949 -73.5944 -68.6359 -68.6303 -63.4174 -63.4125 -57.5852 -57.5849 -55.3584 -55.3584 -46.0982 -46.0979 -43.7838 -43.7803 -41.2588 -41.2586 -33.2224 -33.2190 -29.2305 -29.2294 -21.3332 -21.3327 -18.8592 -18.8585 -17.1679 -17.1677 -14.5555 -14.5545 -13.5472 -13.5458 -12.6374 -12.6363 -10.3487 -10.3444 -9.2762 -9.2754 -8.4317 -8.4290 -8.0743 -8.0703 -7.7567 -7.7495 -7.6041 -7.6010 -7.3844 -7.3800 -7.2491 -7.2436 -7.0819 -7.0763 -6.6033 -6.6019 -6.2505 -6.2493 -3.5662 -3.5653 -3.0639 -3.0557 -2.9555 -2.9451 -2.6627 -2.6587 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2.9667 3.3911 3.4084 3.5886 3.6057 3.6857 3.7225 3.8239 3.8379 4.3265 4.3474 4.5224 4.5609 4.6996 4.7574 4.8768 4.9089 5.0070 5.0399 5.1492 5.1710 5.2731 5.3004 5.6895 5.7085 5.8370 5.8544 6.1830 6.2039 6.5220 6.5653 6.9559 7.0154 7.2920 7.3347 7.5508 7.5940 7.7097 7.7370 7.8598 7.9240 8.0462 8.0745 8.1891 8.2367 8.3380 8.3820 8.4732 8.5194 8.6804 8.7207 8.8338 8.8584 9.0046 9.0509 k = 0.0769 0.0772 0.7059 ( 17258 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4945-380.4856-281.7865-281.7863 -251.7065-251.7024-140.0664-140.0657-127.3871-127.3691-117.3056-117.3051 -116.8160-116.8147-110.2905-110.2899 -87.0455 -87.0452 -80.1493 -80.1487 -76.3504 -76.3494 -73.5969 -73.5962 -68.6479 -68.6414 -63.4382 -63.4276 -57.5851 -57.5847 -55.3639 -55.3638 -46.1007 -46.1006 -43.8084 -43.8006 -41.2685 -41.2683 -33.2309 -33.2271 -29.2381 -29.2354 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8.7306 8.8291 8.8625 8.9980 9.0682 k = 0.0962 0.0965 0.7059 ( 17252 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.4879-380.4814-281.7839-281.7838 -251.7031-251.6994-140.0642-140.0638-127.3664-127.3535-117.3038-117.3035 -116.8146-116.8132-110.2893-110.2889 -87.0355 -87.0353 -80.1414 -80.1410 -76.3494 -76.3487 -73.5960 -73.5956 -68.6393 -68.6329 -63.4294 -63.4219 -57.5846 -57.5842 -55.3590 -55.3589 -46.0966 -46.0963 -43.8007 -43.7955 -41.2645 -41.2642 -33.2276 -33.2237 -29.2350 -29.2327 -21.3003 -21.2997 -18.8629 -18.8612 -17.1704 -17.1700 -14.5579 -14.5559 -13.5484 -13.5471 -12.6395 -12.6386 -10.3532 -10.3496 -9.2784 -9.2772 -8.4342 -8.4279 -8.0782 -8.0684 -7.7570 -7.7410 -7.6057 -7.5983 -7.3913 -7.3806 -7.2538 -7.2425 -7.0864 -7.0741 -6.6018 -6.5985 -6.2514 -6.2485 -3.5673 -3.5647 -3.0708 -3.0515 -2.9625 -2.9387 -2.6666 -2.6573 -2.4721 -2.4685 -1.9066 -1.9017 -1.3612 -1.3496 -1.1996 -1.1552 -1.0986 -1.0396 -0.3670 -0.3513 -0.2845 -0.2716 0.3417 0.3605 0.5904 0.6171 0.8698 0.9031 1.2332 1.2531 1.4251 1.4606 1.5948 1.6550 1.7524 1.7817 2.0222 2.0466 2.3030 2.3380 2.3716 2.4153 2.5803 2.6012 2.6709 2.6886 2.7890 2.8018 2.9561 2.9747 3.3865 3.4152 3.5774 3.6016 3.6874 3.7434 3.8203 3.8415 4.3275 4.3598 4.5073 4.5640 4.6837 4.7705 4.8695 4.9196 4.9993 5.0520 5.1430 5.1766 5.2695 5.3116 5.6843 5.7134 5.8371 5.8654 6.1753 6.2102 6.5067 6.5776 6.9308 7.0220 7.2884 7.3556 7.5333 7.5998 7.7059 7.7450 7.8595 7.9545 8.0506 8.0926 8.1843 8.2582 8.3319 8.3972 8.4604 8.5327 8.6783 8.7406 8.8239 8.8651 8.9952 9.0767 k = 0.1154 0.1158 0.7059 ( 17270 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5173-380.5081-281.7966-281.7965 -251.7194-251.7155-140.0681-140.0666-127.4370-127.4171-117.3069-117.3060 -116.8209-116.8199-110.2950-110.2944 -87.0721 -87.0720 -80.1657 -80.1651 -76.3531 -76.3523 -73.5991 -73.5985 -68.6677 -68.6600 -63.4566 -63.4447 -57.5860 -57.5857 -55.3765 -55.3762 -46.1133 -46.1130 -43.8650 -43.8563 -41.2772 -41.2769 -33.2405 -33.2358 -29.2459 -29.2426 -21.3244 -21.3243 -18.8708 -18.8683 -17.1742 -17.1735 -14.5614 -14.5584 -13.5556 -13.5541 -12.6469 -12.6462 -10.3779 -10.3746 -9.2809 -9.2797 -8.4357 -8.4283 -8.0797 -8.0683 -7.7570 -7.7386 -7.6066 -7.5979 -7.3947 -7.3820 -7.2576 -7.2455 -7.0896 -7.0751 -6.6011 -6.5972 -6.2520 -6.2486 -3.5692 -3.5658 -3.0758 -3.0546 -2.9663 -2.9402 -2.6682 -2.6570 -2.4761 -2.4717 -1.9095 -1.9034 -1.3647 -1.3513 -1.2057 -1.1562 -1.1035 -1.0359 -0.3694 -0.3509 -0.2852 -0.2702 0.3396 0.3614 0.5861 0.6169 0.8675 0.9058 1.2297 1.2528 1.4207 1.4628 1.5899 1.6610 1.7484 1.7826 2.0184 2.0471 2.3010 2.3403 2.3714 2.4224 2.5778 2.6025 2.6676 2.6882 2.7881 2.8032 2.9559 2.9775 3.3826 3.4154 3.5686 3.5962 3.6880 3.7510 3.8156 3.8389 4.3276 4.3639 4.4967 4.5603 4.6763 4.7726 4.8663 4.9233 4.9947 5.0566 5.1390 5.1782 5.2684 5.3159 5.6806 5.7143 5.8348 5.8689 6.1684 6.2096 6.4973 6.5808 6.9180 7.0217 7.2870 7.3642 7.5239 7.5987 7.7046 7.7470 7.8608 7.9664 8.0528 8.0994 8.1807 8.2657 8.3306 8.3987 8.4556 8.5365 8.6785 8.7480 8.8173 8.8664 8.9842 9.0822 k = 0.1346 0.1351 0.7059 ( 17272 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5155-380.5141-281.8015-281.8014 -251.7186-251.7173-140.0681-140.0672-127.4344-127.4305-117.3070-117.3065 -116.8208-116.8201-110.2958-110.2950 -87.0749 -87.0747 -80.1671 -80.1667 -76.3530 -76.3529 -73.5991 -73.5990 -68.6702 -68.6681 -63.4535 -63.4500 -57.5865 -57.5859 -55.3771 -55.3770 -46.1141 -46.1141 -43.8662 -43.8591 -41.2777 -41.2773 -33.2391 -33.2374 -29.2460 -29.2442 -21.3356 -21.3353 -18.8708 -18.8693 -17.1748 -17.1743 -14.5613 -14.5595 -13.5565 -13.5557 -12.6472 -12.6466 -10.3795 -10.3745 -9.2819 -9.2802 -8.4364 -8.4280 -8.0810 -8.0680 -7.7558 -7.7349 -7.6069 -7.5972 -7.3971 -7.3831 -7.2596 -7.2467 -7.0917 -7.0752 -6.6000 -6.5957 -6.2524 -6.2486 -3.5690 -3.5654 -3.0769 -3.0538 -2.9685 -2.9395 -2.6689 -2.6554 -2.4781 -2.4724 -1.9098 -1.9033 -1.3664 -1.3516 -1.2096 -1.1571 -1.1032 -1.0304 -0.3713 -0.3504 -0.2854 -0.2683 0.3379 0.3624 0.5824 0.6165 0.8659 0.9085 1.2265 1.2523 1.4168 1.4652 1.5856 1.6671 1.7449 1.7835 2.0149 2.0480 2.3002 2.3434 2.3733 2.4303 2.5763 2.6046 2.6657 2.6879 2.7884 2.8056 2.9570 2.9813 3.3796 3.4173 3.5627 3.5923 3.6894 3.7598 3.8130 3.8387 4.3294 4.3693 4.4880 4.5552 4.6720 4.7739 4.8644 4.9275 4.9914 5.0614 5.1362 5.1812 5.2684 5.3205 5.6787 5.7161 5.8353 5.8740 6.1632 6.2106 6.4887 6.5843 6.9064 7.0205 7.2867 7.3721 7.5160 7.5966 7.7052 7.7500 7.8644 7.9775 8.0577 8.1078 8.1800 8.2729 8.3318 8.3960 8.4564 8.5405 8.6806 8.7577 8.8088 8.8657 8.9755 9.0853 k = 0.1538 0.1544 0.7059 ( 17276 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5292-380.5253-281.7924-281.7923 -251.7272-251.7249-140.0684-140.0683-127.4568-127.4490-117.3075-117.3073 -116.8240-116.8229-110.2963-110.2951 -87.0856 -87.0852 -80.1706 -80.1703 -76.3546 -76.3542 -73.6004 -73.6000 -68.6738 -68.6700 -63.4611 -63.4559 -57.5861 -57.5856 -55.3819 -55.3816 -46.1170 -46.1167 -43.9028 -43.8972 -41.2792 -41.2788 -33.2413 -33.2387 -29.2495 -29.2493 -21.3083 -21.3080 -18.8732 -18.8729 -17.1758 -17.1754 -14.5610 -14.5607 -13.5573 -13.5563 -12.6485 -12.6478 -10.3902 -10.3855 -9.2828 -9.2810 -8.4371 -8.4279 -8.0823 -8.0679 -7.7544 -7.7309 -7.6070 -7.5966 -7.3998 -7.3843 -7.2617 -7.2477 -7.0937 -7.0758 -6.5989 -6.5941 -6.2527 -6.2485 -3.5692 -3.5652 -3.0789 -3.0539 -2.9701 -2.9396 -2.6689 -2.6540 -2.4799 -2.4733 -1.9108 -1.9036 -1.3680 -1.3510 -1.2138 -1.1598 -1.1015 -1.0247 -0.3730 -0.3500 -0.2855 -0.2667 0.3363 0.3630 0.5789 0.6156 0.8649 0.9109 1.2231 1.2513 1.4128 1.4672 1.5816 1.6726 1.7416 1.7840 2.0109 2.0480 2.2991 2.3451 2.3753 2.4378 2.5742 2.6058 2.6632 2.6868 2.7881 2.8075 2.9579 2.9843 3.3753 3.4177 3.5565 3.5873 3.6893 3.7669 3.8089 3.8369 4.3316 4.3735 4.4790 4.5478 4.6692 4.7727 4.8632 4.9311 4.9881 5.0655 5.1327 5.1851 5.2690 5.3247 5.6771 5.7170 5.8351 5.8796 6.1581 6.2110 6.4797 6.5867 6.8961 7.0182 7.2868 7.3784 7.5094 7.5931 7.7066 7.7531 7.8693 7.9867 8.0632 8.1177 8.1802 8.2782 8.3346 8.3900 8.4615 8.5459 8.6847 8.7660 8.8030 8.8667 8.9685 9.1118 k = 0.1731 0.1737 0.7059 ( 17284 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5405-380.5358-281.7934-281.7933 -251.7345-251.7328-140.0705-140.0701-127.4876-127.4768-117.3093-117.3087 -116.8272-116.8264-110.2981-110.2975 -87.1060 -87.1057 -80.1805 -80.1804 -76.3562 -76.3557 -73.6017 -73.6012 -68.6836 -68.6804 -63.4729 -63.4651 -57.5865 -57.5861 -55.3877 -55.3876 -46.1215 -46.1214 -43.9286 -43.9187 -41.2842 -41.2838 -33.2460 -33.2435 -29.2537 -29.2531 -21.3088 -21.3086 -18.8760 -18.8757 -17.1779 -17.1777 -14.5631 -14.5625 -13.5601 -13.5592 -12.6510 -12.6505 -10.3997 -10.3952 -9.2847 -9.2831 -8.4380 -8.4278 -8.0835 -8.0680 -7.7528 -7.7270 -7.6072 -7.5959 -7.4030 -7.3865 -7.2642 -7.2492 -7.0966 -7.0774 -6.5974 -6.5924 -6.2531 -6.2486 -3.5698 -3.5654 -3.0815 -3.0545 -2.9722 -2.9402 -2.6696 -2.6543 -2.4824 -2.4748 -1.9119 -1.9043 -1.3700 -1.3524 -1.2175 -1.1643 -1.0982 -1.0208 -0.3747 -0.3497 -0.2852 -0.2650 0.3349 0.3635 0.5753 0.6141 0.8646 0.9132 1.2200 1.2501 1.4091 1.4690 1.5780 1.6777 1.7388 1.7841 2.0069 2.0477 2.2985 2.3468 2.3782 2.4455 2.5719 2.6067 2.6611 2.6853 2.7883 2.8092 2.9586 2.9867 3.3715 3.4177 3.5506 3.5832 3.6880 3.7719 3.8057 3.8349 4.3345 4.3768 4.4709 4.5390 4.6673 4.7705 4.8628 4.9348 4.9848 5.0687 5.1299 5.1904 5.2698 5.3288 5.6762 5.7186 5.8357 5.8846 6.1531 6.2112 6.4708 6.5881 6.8869 7.0144 7.2869 7.3826 7.5040 7.5884 7.7084 7.7569 7.8744 7.9945 8.0681 8.1271 8.1814 8.2820 8.3368 8.3814 8.4688 8.5497 8.6896 8.7735 8.7976 8.8671 8.9591 9.0778 k = 0.1923 0.1930 0.7059 ( 17284 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5424-380.5342-281.7912-281.7911 -251.7342-251.7321-140.0718-140.0702-127.4994-127.4801-117.3103-117.3088 -116.8268-116.8261-110.2975-110.2966 -87.1039 -87.1037 -80.1793 -80.1790 -76.3565 -76.3558 -73.6021 -73.6013 -68.6880 -68.6827 -63.4744 -63.4615 -57.5865 -57.5861 -55.3875 -55.3874 -46.1207 -46.1206 -43.9380 -43.9214 -41.2834 -41.2827 -33.2455 -33.2415 -29.2540 -29.2522 -21.3006 -21.3000 -18.8763 -18.8754 -17.1780 -17.1778 -14.5635 -14.5619 -13.5607 -13.5594 -12.6497 -12.6491 -10.4017 -10.3950 -9.2851 -9.2830 -8.4388 -8.4278 -8.0847 -8.0683 -7.7501 -7.7227 -7.6073 -7.5952 -7.4061 -7.3886 -7.2647 -7.2495 -7.0987 -7.0785 -6.5959 -6.5907 -6.2533 -6.2486 -3.5689 -3.5641 -3.0827 -3.0538 -2.9736 -2.9402 -2.6699 -2.6534 -2.4838 -2.4750 -1.9121 -1.9042 -1.3711 -1.3531 -1.2204 -1.1683 -1.0935 -1.0162 -0.3760 -0.3495 -0.2846 -0.2634 0.3337 0.3639 0.5722 0.6122 0.8650 0.9153 1.2170 1.2486 1.4058 1.4703 1.5750 1.6823 1.7365 1.7842 2.0030 2.0473 2.2987 2.3490 2.3827 2.4537 2.5700 2.6077 2.6598 2.6837 2.7893 2.8117 2.9604 2.9896 3.3689 3.4177 3.5456 3.5814 3.6876 3.7762 3.8047 3.8341 4.3387 4.3798 4.4643 4.5294 4.6668 4.7674 4.8629 4.9390 4.9819 5.0715 5.1274 5.1972 5.2711 5.3326 5.6771 5.7206 5.8375 5.8904 6.1486 6.2113 6.4621 6.5885 6.8793 7.0106 7.2871 7.3846 7.5001 7.5833 7.7104 7.7619 7.8805 8.0017 8.0730 8.1385 8.1841 8.2860 8.3371 8.3748 8.4783 8.5552 8.6954 8.7812 8.7943 8.8670 8.9538 9.1323 k = 0.2115 0.2123 0.7059 ( 17290 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5488-380.5391-281.7926-281.7924 -251.7384-251.7359-140.0740-140.0723-127.5204-127.4982-117.3121-117.3106 -116.8285-116.8279-110.2986-110.2980 -87.1147 -87.1145 -80.1877 -80.1873 -76.3574 -76.3567 -73.6029 -73.6020 -68.6953 -68.6898 -63.4833 -63.4686 -57.5868 -57.5865 -55.3932 -55.3931 -46.1255 -46.1253 -43.9480 -43.9286 -41.2877 -41.2871 -33.2493 -33.2454 -29.2573 -29.2551 -21.3002 -21.2992 -18.8790 -18.8776 -17.1795 -17.1792 -14.5649 -14.5630 -13.5627 -13.5615 -12.6519 -12.6511 -10.4057 -10.3991 -9.2866 -9.2841 -8.4394 -8.4277 -8.0859 -8.0686 -7.7474 -7.7188 -7.6073 -7.5948 -7.4094 -7.3911 -7.2664 -7.2510 -7.1010 -7.0801 -6.5942 -6.5888 -6.2537 -6.2487 -3.5689 -3.5640 -3.0847 -3.0551 -2.9754 -2.9406 -2.6703 -2.6529 -2.4856 -2.4764 -1.9127 -1.9051 -1.3731 -1.3540 -1.2232 -1.1735 -1.0882 -1.0126 -0.3771 -0.3495 -0.2840 -0.2618 0.3328 0.3639 0.5692 0.6099 0.8660 0.9171 1.2141 1.2467 1.4026 1.4711 1.5726 1.6861 1.7349 1.7838 1.9987 2.0463 2.2989 2.3510 2.3869 2.4615 2.5678 2.6082 2.6585 2.6819 2.7902 2.8138 2.9620 2.9923 3.3657 3.4171 3.5409 3.5796 3.6852 3.7779 3.8041 3.8328 4.3433 4.3805 4.4581 4.5188 4.6664 4.7628 4.8633 4.9432 4.9787 5.0736 5.1246 5.2052 5.2722 5.3360 5.6783 5.7224 5.8394 5.8956 6.1436 6.2101 6.4535 6.5872 6.8735 7.0060 7.2874 7.3842 7.4977 7.5770 7.7120 7.7675 7.8863 8.0082 8.0775 8.1489 8.1872 8.2895 8.3324 8.3718 8.4874 8.5619 8.7000 8.7841 8.7947 8.8656 8.9517 9.1106 k = 0.2308 0.2316 0.7059 ( 17266 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5097-380.5070-281.7872-281.7871 -251.7201-251.7178-140.0670-140.0663-127.4260-127.4200-117.3061-117.3057 -116.8222-116.8211-110.2948-110.2942 -87.0769 -87.0766 -80.1581 -80.1578 -76.3525 -76.3521 -73.5984 -73.5982 -68.6572 -68.6533 -63.4468 -63.4423 -57.5851 -57.5847 -55.3730 -55.3729 -46.1093 -46.1091 -43.8647 -43.8588 -41.2720 -41.2715 -33.2350 -33.2325 -29.2435 -29.2417 -21.3120 -21.3115 -18.8695 -18.8682 -17.1714 -17.1710 -14.5591 -14.5574 -13.5528 -13.5517 -12.6443 -12.6435 -10.3797 -10.3763 -9.2803 -9.2781 -8.4393 -8.4274 -8.0866 -8.0688 -7.7416 -7.7129 -7.6067 -7.5936 -7.4104 -7.3898 -7.2623 -7.2479 -7.1008 -7.0787 -6.5919 -6.5865 -6.2533 -6.2483 -3.5660 -3.5611 -3.0805 -3.0501 -2.9715 -2.9367 -2.6695 -2.6514 -2.4800 -2.4713 -1.9111 -1.9028 -1.3707 -1.3515 -1.2221 -1.1758 -1.0796 -1.0057 -0.3776 -0.3492 -0.2827 -0.2598 0.3325 0.3642 0.5668 0.6075 0.8681 0.9192 1.2119 1.2452 1.4002 1.4717 1.5717 1.6896 1.7346 1.7839 1.9950 2.0460 2.3009 2.3545 2.3932 2.4701 2.5665 2.6089 2.6592 2.6807 2.7932 2.8184 2.9657 2.9966 3.3646 3.4181 3.5390 3.5809 3.6851 3.7815 3.8066 3.8369 4.3507 4.3814 4.4551 4.5101 4.6678 4.7597 4.8653 4.9490 4.9766 5.0759 5.1241 5.2154 5.2737 5.3407 5.6819 5.7271 5.8439 5.9026 6.1397 6.2103 6.4464 6.5861 6.8703 7.0023 7.2881 7.3826 7.4981 7.5721 7.7142 7.7746 7.8934 8.0169 8.0858 8.1613 8.1939 8.2943 8.3269 8.3738 8.4973 8.5708 8.7047 8.7872 8.7994 8.8646 8.9525 9.1623 k = 0.2500 0.2509 0.7059 ( 17268 PWs) bands (ev): ************************************************************************ ************************************************************************ ************************************-380.5134-380.5107-281.7858-281.7856 -251.7233-251.7217-140.0671-140.0670-127.4343-127.4293-117.3063-117.3062 -116.8237-116.8230-110.2959-110.2950 -87.0838 -87.0834 -80.1624 -80.1622 -76.3530 -76.3527 -73.5987 -73.5986 -68.6568 -68.6549 -63.4513 -63.4475 -57.5851 -57.5848 -55.3785 -55.3784 -46.1146 -46.1144 -43.8738 -43.8681 -41.2742 -41.2737 -33.2370 -33.2358 -29.2440 -29.2438 -21.3106 -21.3104 -18.8698 -18.8696 -17.1716 -17.1715 -14.5586 -14.5583 -13.5531 -13.5525 -12.6455 -12.6450 -10.3840 -10.3815 -9.2806 -9.2784 -8.4399 -8.4276 -8.0876 -8.0695 -7.7381 -7.7085 -7.6066 -7.5934 -7.4134 -7.3928 -7.2630 -7.2484 -7.1027 -7.0805 -6.5900 -6.5846 -6.2535 -6.2484 -3.5657 -3.5609 -3.0819 -3.0510 -2.9718 -2.9367 -2.6695 -2.6507 -2.4811 -2.4719 -1.9116 -1.9033 -1.3712 -1.3523 -1.2246 -1.1807 -1.0734 -1.0019 -0.3783 -0.3494 -0.2817 -0.2586 0.3322 0.3639 0.5644 0.6045 0.8704 0.9207 1.2093 1.2429 1.3978 1.4710 1.5711 1.6917 1.7345 1.7834 1.9910 2.0444 2.3022 2.3566 2.3984 2.4770 2.5643 2.6085 2.6586 2.6788 2.7947 2.8205 2.9678 2.9990 3.3613 3.4158 3.5353 3.5804 3.6824 3.7799 3.8064 3.8368 4.3560 4.3791 4.4519 4.4999 4.6679 4.7539 4.8663 4.9538 4.9736 5.0775 5.1222 5.2253 5.2740 5.3437 5.6846 5.7295 5.8467 5.9075 6.1350 6.2084 6.4384 6.5822 6.8678 6.9975 7.2885 7.3788 7.4986 7.5662 7.7153 7.7813 7.8996 8.0237 8.0900 8.1702 8.1969 8.2955 8.3211 8.3768 8.5047 8.5812 8.7058 8.7851 8.8037 8.8613 8.9597 9.1326 Writing output data file Tl5Te3.save init_run : 1.86s CPU 1.09s WALL ( 1 calls) electrons : 8004.03s CPU 7635.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 0.25s WALL ( 1 calls) Called by electrons: c_bands : 8004.02s CPU 7635.14s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.81s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.48s CPU 0.42s WALL ( 197 calls) cegterg : 7840.27s CPU 7512.41s WALL ( 1182 calls) Called by sum_band: Called by *egterg: h_psi : 3805.30s CPU 3410.95s WALL ( 25019 calls) s_psi : 584.60s CPU 583.98s WALL ( 25019 calls) g_psi : 7.16s CPU 7.64s WALL ( 23640 calls) cdiaghg : 2294.36s CPU 2308.11s WALL ( 23837 calls) cegterg:over : 527.04s CPU 525.84s WALL ( 23640 calls) cegterg:upda : 363.44s CPU 364.00s WALL ( 23640 calls) cegterg:last : 301.02s CPU 302.05s WALL ( 5087 calls) cdiaghg:chol : 125.60s CPU 127.50s WALL ( 23837 calls) cdiaghg:inve : 100.16s CPU 101.37s WALL ( 23837 calls) cdiaghg:para : 219.68s CPU 224.60s WALL ( 47674 calls) Called by h_psi: h_psi:vloc : 2941.86s CPU 2544.78s WALL ( 25019 calls) h_psi:vnl : 852.94s CPU 855.14s WALL ( 25019 calls) add_vuspsi : 450.87s CPU 452.64s WALL ( 25019 calls) General routines calbec : 401.80s CPU 402.39s WALL ( 25019 calls) fft : 0.10s CPU 0.06s WALL ( 19 calls) ffts : 0.05s CPU 0.03s WALL ( 4 calls) fftw : 2825.67s CPU 2422.58s WALL (10905716 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.63s CPU 15.89s WALL ( 394 calls) Parallel routines fft_scatter : 1511.56s CPU 1609.96s WALL (10905739 calls) PWSCF : 2h16m CPU 2h11m WALL This run was terminated on: 12:16:32 29Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=