Program PWSCF v.5.1.1 starts on 13Jun2016 at 2:40: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BeSiP2.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 191 71 19 8251 1851 272 Max 192 72 20 8255 1886 276 Sum 9211 3425 945 396163 89735 13129 bravais-lattice index = 14 lattice parameter (alat) = 11.8730 a.u. unit-cell volume = 912.3954 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.873040 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.666017 celldm(5)= -0.666017 celldm(6)= 0.332033 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.332033 0.943268 0.000000 ) a(3) = ( -0.666017 -0.471634 0.577913 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.352003 0.865182 ) b(2) = ( 0.000000 1.060145 0.865182 ) b(3) = ( 0.000000 0.000000 1.730365 ) PseudoPot. # 1 for Be read from file: /home/autes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Be 4.00 9.01220 Be( 1.00) Si 4.00 28.08550 Si( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.1660167 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4716338 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2889564 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0000000 0.0000000 0.0196632), wk = 0.0033445 k( 3) = ( 0.0000000 0.0000000 0.0393265), wk = 0.0033445 k( 4) = ( 0.0000000 0.0000000 0.0589897), wk = 0.0033445 k( 5) = ( 0.0000000 0.0000000 0.0786529), wk = 0.0033445 k( 6) = ( 0.0000000 0.0000000 0.0983162), wk = 0.0033445 k( 7) = ( 0.0000000 0.0000000 0.1179794), wk = 0.0033445 k( 8) = ( 0.0000000 0.0000000 0.1376426), wk = 0.0033445 k( 9) = ( 0.0000000 0.0000000 0.1573059), wk = 0.0033445 k( 10) = ( 0.0000000 0.0000000 0.1769691), wk = 0.0033445 k( 11) = ( 0.0000000 0.0000000 0.1966323), wk = 0.0033445 k( 12) = ( 0.0000000 0.0000000 0.2162956), wk = 0.0033445 k( 13) = ( 0.0000000 0.0000000 0.2359588), wk = 0.0033445 k( 14) = ( 0.0000000 0.0000000 0.2556221), wk = 0.0033445 k( 15) = ( 0.0000000 0.0000000 0.2752853), wk = 0.0033445 k( 16) = ( 0.0000000 0.0000000 0.2949485), wk = 0.0033445 k( 17) = ( 0.0000000 0.0000000 0.3146118), wk = 0.0033445 k( 18) = ( 0.0000000 0.0000000 0.3342750), wk = 0.0033445 k( 19) = ( 0.0000000 0.0000000 0.3539382), wk = 0.0033445 k( 20) = ( 0.0000000 0.0000000 0.3736015), wk = 0.0033445 k( 21) = ( 0.0000000 0.0000000 0.3932647), wk = 0.0033445 k( 22) = ( 0.0000000 0.0000000 0.4129279), wk = 0.0033445 k( 23) = ( 0.0000000 0.0000000 0.4325912), wk = 0.0033445 k( 24) = ( 0.0000000 0.0000000 0.4522544), wk = 0.0033445 k( 25) = ( 0.0000000 0.0000000 0.4719176), wk = 0.0033445 k( 26) = ( 0.0000000 0.0000000 0.4915809), wk = 0.0033445 k( 27) = ( 0.0000000 0.0000000 0.5112441), wk = 0.0033445 k( 28) = ( 0.0000000 0.0000000 0.5309073), wk = 0.0033445 k( 29) = ( 0.0000000 0.0000000 0.5505706), wk = 0.0033445 k( 30) = ( 0.0000000 0.0000000 0.5702338), wk = 0.0033445 k( 31) = ( 0.0000000 0.0000000 0.5898971), wk = 0.0033445 k( 32) = ( 0.0000000 0.0000000 0.6095603), wk = 0.0033445 k( 33) = ( 0.0000000 0.0000000 0.6292235), wk = 0.0033445 k( 34) = ( 0.0000000 0.0000000 0.6488868), wk = 0.0033445 k( 35) = ( 0.0000000 0.0000000 0.6685500), wk = 0.0033445 k( 36) = ( 0.0000000 0.0000000 0.6882132), wk = 0.0033445 k( 37) = ( 0.0000000 0.0000000 0.7078765), wk = 0.0033445 k( 38) = ( 0.0000000 0.0000000 0.7275397), wk = 0.0033445 k( 39) = ( 0.0000000 0.0000000 0.7472029), wk = 0.0033445 k( 40) = ( 0.0000000 0.0000000 0.7668662), wk = 0.0033445 k( 41) = ( 0.0000000 0.0000000 0.7865294), wk = 0.0033445 k( 42) = ( 0.0000000 0.0000000 0.8061926), wk = 0.0033445 k( 43) = ( 0.0000000 0.0000000 0.8258559), wk = 0.0033445 k( 44) = ( 0.0000000 0.0000000 0.8455191), wk = 0.0033445 k( 45) = ( 0.0000000 0.0000000 0.8651824), wk = 0.0033445 k( 46) = ( 0.0000000 0.0000000 0.8651824), wk = 0.0033445 k( 47) = ( -0.0113969 0.0160941 0.8651824), wk = 0.0033445 k( 48) = ( -0.0227938 0.0321882 0.8651824), wk = 0.0033445 k( 49) = ( -0.0341907 0.0482823 0.8651824), wk = 0.0033445 k( 50) = ( -0.0455876 0.0643765 0.8651824), wk = 0.0033445 k( 51) = ( -0.0569845 0.0804706 0.8651824), wk = 0.0033445 k( 52) = ( -0.0683814 0.0965647 0.8651824), wk = 0.0033445 k( 53) = ( -0.0797783 0.1126588 0.8651824), wk = 0.0033445 k( 54) = ( -0.0911752 0.1287529 0.8651824), wk = 0.0033445 k( 55) = ( -0.1025721 0.1448470 0.8651824), wk = 0.0033445 k( 56) = ( -0.1139690 0.1609412 0.8651824), wk = 0.0033445 k( 57) = ( -0.1253659 0.1770353 0.8651824), wk = 0.0033445 k( 58) = ( -0.1253659 0.1770353 0.8651824), wk = 0.0033445 k( 59) = ( -0.1335102 0.1885361 0.8510899), wk = 0.0033445 k( 60) = ( -0.1416544 0.2000370 0.8369974), wk = 0.0033445 k( 61) = ( -0.1497986 0.2115378 0.8229049), wk = 0.0033445 k( 62) = ( -0.1579428 0.2230386 0.8088125), wk = 0.0033445 k( 63) = ( -0.1660870 0.2345395 0.7947200), wk = 0.0033445 k( 64) = ( -0.1742313 0.2460403 0.7806275), wk = 0.0033445 k( 65) = ( -0.1823755 0.2575412 0.7665351), wk = 0.0033445 k( 66) = ( -0.1905197 0.2690420 0.7524426), wk = 0.0033445 k( 67) = ( -0.1986639 0.2805428 0.7383501), wk = 0.0033445 k( 68) = ( -0.2068081 0.2920437 0.7242577), wk = 0.0033445 k( 69) = ( -0.2149523 0.3035445 0.7101652), wk = 0.0033445 k( 70) = ( -0.2230966 0.3150454 0.6960727), wk = 0.0033445 k( 71) = ( -0.2312408 0.3265462 0.6819803), wk = 0.0033445 k( 72) = ( -0.2393850 0.3380471 0.6678878), wk = 0.0033445 k( 73) = ( -0.2475292 0.3495479 0.6537953), wk = 0.0033445 k( 74) = ( -0.2556734 0.3610487 0.6397029), wk = 0.0033445 k( 75) = ( -0.2638177 0.3725496 0.6256104), wk = 0.0033445 k( 76) = ( -0.2719619 0.3840504 0.6115179), wk = 0.0033445 k( 77) = ( -0.2801061 0.3955513 0.5974255), wk = 0.0033445 k( 78) = ( -0.2882503 0.4070521 0.5833330), wk = 0.0033445 k( 79) = ( -0.2963945 0.4185529 0.5692405), wk = 0.0033445 k( 80) = ( -0.3045388 0.4300538 0.5551480), wk = 0.0033445 k( 81) = ( -0.3126830 0.4415546 0.5410556), wk = 0.0033445 k( 82) = ( -0.3126830 0.4415546 0.5410556), wk = 0.0033445 k( 83) = ( -0.3046655 0.4302327 0.5271824), wk = 0.0033445 k( 84) = ( -0.2966479 0.4189108 0.5133091), wk = 0.0033445 k( 85) = ( -0.2886304 0.4075889 0.4994359), wk = 0.0033445 k( 86) = ( -0.2806129 0.3962670 0.4855627), wk = 0.0033445 k( 87) = ( -0.2725954 0.3849451 0.4716895), wk = 0.0033445 k( 88) = ( -0.2645779 0.3736232 0.4578163), wk = 0.0033445 k( 89) = ( -0.2565604 0.3623012 0.4439430), wk = 0.0033445 k( 90) = ( -0.2485429 0.3509793 0.4300698), wk = 0.0033445 k( 91) = ( -0.2405254 0.3396574 0.4161966), wk = 0.0033445 k( 92) = ( -0.2325078 0.3283355 0.4023234), wk = 0.0033445 k( 93) = ( -0.2244903 0.3170136 0.3884502), wk = 0.0033445 k( 94) = ( -0.2164728 0.3056917 0.3745769), wk = 0.0033445 k( 95) = ( -0.2084553 0.2943698 0.3607037), wk = 0.0033445 k( 96) = ( -0.2004378 0.2830478 0.3468305), wk = 0.0033445 k( 97) = ( -0.1924203 0.2717259 0.3329573), wk = 0.0033445 k( 98) = ( -0.1844028 0.2604040 0.3190841), wk = 0.0033445 k( 99) = ( -0.1763853 0.2490821 0.3052108), wk = 0.0033445 k( 100) = ( -0.1683678 0.2377602 0.2913376), wk = 0.0033445 k( 101) = ( -0.1603502 0.2264383 0.2774644), wk = 0.0033445 k( 102) = ( -0.1523327 0.2151164 0.2635912), wk = 0.0033445 k( 103) = ( -0.1443152 0.2037945 0.2497180), wk = 0.0033445 k( 104) = ( -0.1362977 0.1924725 0.2358447), wk = 0.0033445 k( 105) = ( -0.1282802 0.1811506 0.2219715), wk = 0.0033445 k( 106) = ( -0.1202627 0.1698287 0.2080983), wk = 0.0033445 k( 107) = ( -0.1122452 0.1585068 0.1942251), wk = 0.0033445 k( 108) = ( -0.1042277 0.1471849 0.1803519), wk = 0.0033445 k( 109) = ( -0.0962101 0.1358630 0.1664786), wk = 0.0033445 k( 110) = ( -0.0881926 0.1245410 0.1526054), wk = 0.0033445 k( 111) = ( -0.0801751 0.1132191 0.1387322), wk = 0.0033445 k( 112) = ( -0.0721576 0.1018972 0.1248590), wk = 0.0033445 k( 113) = ( -0.0641401 0.0905753 0.1109858), wk = 0.0033445 k( 114) = ( -0.0561226 0.0792534 0.0971125), wk = 0.0033445 k( 115) = ( -0.0481051 0.0679315 0.0832393), wk = 0.0033445 k( 116) = ( -0.0400876 0.0566096 0.0693661), wk = 0.0033445 k( 117) = ( -0.0320701 0.0452877 0.0554929), wk = 0.0033445 k( 118) = ( -0.0240525 0.0339657 0.0416197), wk = 0.0033445 k( 119) = ( -0.0160350 0.0226438 0.0277464), wk = 0.0033445 k( 120) = ( -0.0080175 0.0113219 0.0138732), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 123) = ( 0.0161290 0.0114216 0.0000000), wk = 0.0033445 k( 124) = ( 0.0322581 0.0228433 0.0000000), wk = 0.0033445 k( 125) = ( 0.0483871 0.0342649 0.0000000), wk = 0.0033445 k( 126) = ( 0.0645161 0.0456865 0.0000000), wk = 0.0033445 k( 127) = ( 0.0806452 0.0571081 0.0000000), wk = 0.0033445 k( 128) = ( 0.0967742 0.0685298 0.0000000), wk = 0.0033445 k( 129) = ( 0.1129032 0.0799514 0.0000000), wk = 0.0033445 k( 130) = ( 0.1290323 0.0913730 0.0000000), wk = 0.0033445 k( 131) = ( 0.1451613 0.1027947 0.0000000), wk = 0.0033445 k( 132) = ( 0.1612903 0.1142163 0.0000000), wk = 0.0033445 k( 133) = ( 0.1774194 0.1256379 0.0000000), wk = 0.0033445 k( 134) = ( 0.1935484 0.1370596 0.0000000), wk = 0.0033445 k( 135) = ( 0.2096774 0.1484812 0.0000000), wk = 0.0033445 k( 136) = ( 0.2258064 0.1599028 0.0000000), wk = 0.0033445 k( 137) = ( 0.2419355 0.1713244 0.0000000), wk = 0.0033445 k( 138) = ( 0.2580645 0.1827461 0.0000000), wk = 0.0033445 k( 139) = ( 0.2741936 0.1941677 0.0000000), wk = 0.0033445 k( 140) = ( 0.2903226 0.2055893 0.0000000), wk = 0.0033445 k( 141) = ( 0.3064516 0.2170110 0.0000000), wk = 0.0033445 k( 142) = ( 0.3225807 0.2284326 0.0000000), wk = 0.0033445 k( 143) = ( 0.3387097 0.2398542 0.0000000), wk = 0.0033445 k( 144) = ( 0.3548387 0.2512759 0.0000000), wk = 0.0033445 k( 145) = ( 0.3709677 0.2626975 0.0000000), wk = 0.0033445 k( 146) = ( 0.3870968 0.2741191 0.0000000), wk = 0.0033445 k( 147) = ( 0.4032258 0.2855408 0.0000000), wk = 0.0033445 k( 148) = ( 0.4193548 0.2969624 0.0000000), wk = 0.0033445 k( 149) = ( 0.4354839 0.3083840 0.0000000), wk = 0.0033445 k( 150) = ( 0.4516129 0.3198056 0.0000000), wk = 0.0033445 k( 151) = ( 0.4677419 0.3312273 0.0000000), wk = 0.0033445 k( 152) = ( 0.4838710 0.3426489 0.0000000), wk = 0.0033445 k( 153) = ( 0.5000000 0.3540705 0.0000000), wk = 0.0033445 k( 154) = ( 0.5000000 0.3540705 0.0000000), wk = 0.0033445 k( 155) = ( 0.4918558 0.3655714 0.0140925), wk = 0.0033445 k( 156) = ( 0.4837116 0.3770722 0.0281849), wk = 0.0033445 k( 157) = ( 0.4755673 0.3885731 0.0422774), wk = 0.0033445 k( 158) = ( 0.4674231 0.4000739 0.0563699), wk = 0.0033445 k( 159) = ( 0.4592789 0.4115747 0.0704623), wk = 0.0033445 k( 160) = ( 0.4511347 0.4230756 0.0845548), wk = 0.0033445 k( 161) = ( 0.4429905 0.4345764 0.0986473), wk = 0.0033445 k( 162) = ( 0.4348462 0.4460773 0.1127397), wk = 0.0033445 k( 163) = ( 0.4267020 0.4575781 0.1268322), wk = 0.0033445 k( 164) = ( 0.4185578 0.4690790 0.1409247), wk = 0.0033445 k( 165) = ( 0.4104136 0.4805798 0.1550172), wk = 0.0033445 k( 166) = ( 0.4022694 0.4920806 0.1691096), wk = 0.0033445 k( 167) = ( 0.3941252 0.5035815 0.1832021), wk = 0.0033445 k( 168) = ( 0.3859809 0.5150823 0.1972946), wk = 0.0033445 k( 169) = ( 0.3778367 0.5265832 0.2113870), wk = 0.0033445 k( 170) = ( 0.3696925 0.5380840 0.2254795), wk = 0.0033445 k( 171) = ( 0.3615483 0.5495849 0.2395720), wk = 0.0033445 k( 172) = ( 0.3534041 0.5610857 0.2536644), wk = 0.0033445 k( 173) = ( 0.3452598 0.5725865 0.2677569), wk = 0.0033445 k( 174) = ( 0.3371156 0.5840874 0.2818494), wk = 0.0033445 k( 175) = ( 0.3289714 0.5955882 0.2959418), wk = 0.0033445 k( 176) = ( 0.3208272 0.6070891 0.3100343), wk = 0.0033445 k( 177) = ( 0.3126830 0.6185899 0.3241268), wk = 0.0033445 k( 178) = ( 0.3126830 0.6185899 0.3241268), wk = 0.0033445 k( 179) = ( 0.2953117 0.6136723 0.3301526), wk = 0.0033445 k( 180) = ( 0.2779404 0.6087546 0.3361784), wk = 0.0033445 k( 181) = ( 0.2605691 0.6038370 0.3422042), wk = 0.0033445 k( 182) = ( 0.2431979 0.5989193 0.3482300), wk = 0.0033445 k( 183) = ( 0.2258266 0.5940017 0.3542558), wk = 0.0033445 k( 184) = ( 0.2084553 0.5890840 0.3602816), wk = 0.0033445 k( 185) = ( 0.1910840 0.5841664 0.3663074), wk = 0.0033445 k( 186) = ( 0.1737128 0.5792487 0.3723332), wk = 0.0033445 k( 187) = ( 0.1563415 0.5743311 0.3783590), wk = 0.0033445 k( 188) = ( 0.1389702 0.5694134 0.3843848), wk = 0.0033445 k( 189) = ( 0.1215989 0.5644958 0.3904106), wk = 0.0033445 k( 190) = ( 0.1042277 0.5595781 0.3964364), wk = 0.0033445 k( 191) = ( 0.0868564 0.5546605 0.4024622), wk = 0.0033445 k( 192) = ( 0.0694851 0.5497429 0.4084880), wk = 0.0033445 k( 193) = ( 0.0521138 0.5448252 0.4145138), wk = 0.0033445 k( 194) = ( 0.0347425 0.5399076 0.4205396), wk = 0.0033445 k( 195) = ( 0.0173713 0.5349899 0.4265654), wk = 0.0033445 k( 196) = ( 0.0000000 0.5300723 0.4325912), wk = 0.0033445 k( 197) = ( 0.0000000 0.5300723 0.4325912), wk = 0.0033445 k( 198) = ( 0.0080645 0.5186840 0.4465457), wk = 0.0033445 k( 199) = ( 0.0161290 0.5072957 0.4605003), wk = 0.0033445 k( 200) = ( 0.0241936 0.4959074 0.4744548), wk = 0.0033445 k( 201) = ( 0.0322581 0.4845191 0.4884094), wk = 0.0033445 k( 202) = ( 0.0403226 0.4731308 0.5023639), wk = 0.0033445 k( 203) = ( 0.0483871 0.4617425 0.5163185), wk = 0.0033445 k( 204) = ( 0.0564516 0.4503542 0.5302730), wk = 0.0033445 k( 205) = ( 0.0645161 0.4389659 0.5442276), wk = 0.0033445 k( 206) = ( 0.0725806 0.4275776 0.5581822), wk = 0.0033445 k( 207) = ( 0.0806452 0.4161894 0.5721367), wk = 0.0033445 k( 208) = ( 0.0887097 0.4048011 0.5860913), wk = 0.0033445 k( 209) = ( 0.0967742 0.3934128 0.6000458), wk = 0.0033445 k( 210) = ( 0.1048387 0.3820245 0.6140004), wk = 0.0033445 k( 211) = ( 0.1129032 0.3706362 0.6279549), wk = 0.0033445 k( 212) = ( 0.1209677 0.3592479 0.6419095), wk = 0.0033445 k( 213) = ( 0.1290323 0.3478596 0.6558640), wk = 0.0033445 k( 214) = ( 0.1370968 0.3364713 0.6698186), wk = 0.0033445 k( 215) = ( 0.1451613 0.3250830 0.6837731), wk = 0.0033445 k( 216) = ( 0.1532258 0.3136947 0.6977277), wk = 0.0033445 k( 217) = ( 0.1612903 0.3023065 0.7116823), wk = 0.0033445 k( 218) = ( 0.1693548 0.2909182 0.7256368), wk = 0.0033445 k( 219) = ( 0.1774194 0.2795299 0.7395914), wk = 0.0033445 k( 220) = ( 0.1854839 0.2681416 0.7535459), wk = 0.0033445 k( 221) = ( 0.1935484 0.2567533 0.7675005), wk = 0.0033445 k( 222) = ( 0.2016129 0.2453650 0.7814550), wk = 0.0033445 k( 223) = ( 0.2096774 0.2339767 0.7954096), wk = 0.0033445 k( 224) = ( 0.2177419 0.2225884 0.8093641), wk = 0.0033445 k( 225) = ( 0.2258064 0.2112001 0.8233187), wk = 0.0033445 k( 226) = ( 0.2338710 0.1998118 0.8372732), wk = 0.0033445 k( 227) = ( 0.2419355 0.1884236 0.8512278), wk = 0.0033445 k( 228) = ( 0.2500000 0.1770353 0.8651824), wk = 0.0033445 k( 229) = ( 0.2500000 0.1770353 0.8651824), wk = 0.0033445 k( 230) = ( 0.2631579 0.1863529 0.8537650), wk = 0.0033445 k( 231) = ( 0.2763158 0.1956706 0.8423477), wk = 0.0033445 k( 232) = ( 0.2894737 0.2049882 0.8309304), wk = 0.0033445 k( 233) = ( 0.3026316 0.2143058 0.8195131), wk = 0.0033445 k( 234) = ( 0.3157895 0.2236235 0.8080958), wk = 0.0033445 k( 235) = ( 0.3289474 0.2329411 0.7966785), wk = 0.0033445 k( 236) = ( 0.3421053 0.2422588 0.7852612), wk = 0.0033445 k( 237) = ( 0.3552632 0.2515764 0.7738439), wk = 0.0033445 k( 238) = ( 0.3684211 0.2608941 0.7624266), wk = 0.0033445 k( 239) = ( 0.3815789 0.2702117 0.7510093), wk = 0.0033445 k( 240) = ( 0.3947368 0.2795294 0.7395920), wk = 0.0033445 k( 241) = ( 0.4078947 0.2888470 0.7281747), wk = 0.0033445 k( 242) = ( 0.4210526 0.2981647 0.7167574), wk = 0.0033445 k( 243) = ( 0.4342105 0.3074823 0.7053401), wk = 0.0033445 k( 244) = ( 0.4473684 0.3168000 0.6939228), wk = 0.0033445 k( 245) = ( 0.4605263 0.3261176 0.6825055), wk = 0.0033445 k( 246) = ( 0.4736842 0.3354352 0.6710882), wk = 0.0033445 k( 247) = ( 0.4868421 0.3447529 0.6596709), wk = 0.0033445 k( 248) = ( 0.5000000 0.3540705 0.6482536), wk = 0.0033445 k( 249) = ( 0.5000000 0.3540705 0.6482536), wk = 0.0033445 k( 250) = ( 0.5000000 0.3540705 0.6286095), wk = 0.0033445 k( 251) = ( 0.5000000 0.3540705 0.6089655), wk = 0.0033445 k( 252) = ( 0.5000000 0.3540705 0.5893214), wk = 0.0033445 k( 253) = ( 0.5000000 0.3540705 0.5696774), wk = 0.0033445 k( 254) = ( 0.5000000 0.3540705 0.5500333), wk = 0.0033445 k( 255) = ( 0.5000000 0.3540705 0.5303893), wk = 0.0033445 k( 256) = ( 0.5000000 0.3540705 0.5107452), wk = 0.0033445 k( 257) = ( 0.5000000 0.3540705 0.4911012), wk = 0.0033445 k( 258) = ( 0.5000000 0.3540705 0.4714571), wk = 0.0033445 k( 259) = ( 0.5000000 0.3540705 0.4518131), wk = 0.0033445 k( 260) = ( 0.5000000 0.3540705 0.4321690), wk = 0.0033445 k( 261) = ( 0.5000000 0.3540705 0.4125250), wk = 0.0033445 k( 262) = ( 0.5000000 0.3540705 0.3928809), wk = 0.0033445 k( 263) = ( 0.5000000 0.3540705 0.3732369), wk = 0.0033445 k( 264) = ( 0.5000000 0.3540705 0.3535928), wk = 0.0033445 k( 265) = ( 0.5000000 0.3540705 0.3339488), wk = 0.0033445 k( 266) = ( 0.5000000 0.3540705 0.3143048), wk = 0.0033445 k( 267) = ( 0.5000000 0.3540705 0.2946607), wk = 0.0033445 k( 268) = ( 0.5000000 0.3540705 0.2750167), wk = 0.0033445 k( 269) = ( 0.5000000 0.3540705 0.2553726), wk = 0.0033445 k( 270) = ( 0.5000000 0.3540705 0.2357286), wk = 0.0033445 k( 271) = ( 0.5000000 0.3540705 0.2160845), wk = 0.0033445 k( 272) = ( 0.5000000 0.3540705 0.1964405), wk = 0.0033445 k( 273) = ( 0.5000000 0.3540705 0.1767964), wk = 0.0033445 k( 274) = ( 0.5000000 0.3540705 0.1571524), wk = 0.0033445 k( 275) = ( 0.5000000 0.3540705 0.1375083), wk = 0.0033445 k( 276) = ( 0.5000000 0.3540705 0.1178643), wk = 0.0033445 k( 277) = ( 0.5000000 0.3540705 0.0982202), wk = 0.0033445 k( 278) = ( 0.5000000 0.3540705 0.0785762), wk = 0.0033445 k( 279) = ( 0.5000000 0.3540705 0.0589321), wk = 0.0033445 k( 280) = ( 0.5000000 0.3540705 0.0392881), wk = 0.0033445 k( 281) = ( 0.5000000 0.3540705 0.0196441), wk = 0.0033445 k( 282) = ( 0.5000000 0.3540705 0.0000000), wk = 0.0033445 k( 283) = ( 0.0000000 0.0000000 0.8651824), wk = 0.0033445 k( 284) = ( 0.0156250 0.0110647 0.8651824), wk = 0.0033445 k( 285) = ( 0.0312500 0.0221294 0.8651824), wk = 0.0033445 k( 286) = ( 0.0468750 0.0331941 0.8651824), wk = 0.0033445 k( 287) = ( 0.0625000 0.0442588 0.8651824), wk = 0.0033445 k( 288) = ( 0.0781250 0.0553235 0.8651824), wk = 0.0033445 k( 289) = ( 0.0937500 0.0663882 0.8651824), wk = 0.0033445 k( 290) = ( 0.1093750 0.0774529 0.8651824), wk = 0.0033445 k( 291) = ( 0.1250000 0.0885176 0.8651824), wk = 0.0033445 k( 292) = ( 0.1406250 0.0995823 0.8651824), wk = 0.0033445 k( 293) = ( 0.1562500 0.1106470 0.8651824), wk = 0.0033445 k( 294) = ( 0.1718750 0.1217117 0.8651824), wk = 0.0033445 k( 295) = ( 0.1875000 0.1327765 0.8651824), wk = 0.0033445 k( 296) = ( 0.2031250 0.1438412 0.8651824), wk = 0.0033445 k( 297) = ( 0.2187500 0.1549059 0.8651824), wk = 0.0033445 k( 298) = ( 0.2343750 0.1659706 0.8651824), wk = 0.0033445 k( 299) = ( 0.2500000 0.1770353 0.8651824), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0033445 k( 3) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033445 k( 4) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0033445 k( 5) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033445 k( 6) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0033445 k( 7) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033445 k( 8) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0033445 k( 9) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033445 k( 10) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0033445 k( 11) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033445 k( 12) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033445 k( 13) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033445 k( 14) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0033445 k( 15) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033445 k( 16) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0033445 k( 17) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033445 k( 18) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0033445 k( 19) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033445 k( 20) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0033445 k( 21) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033445 k( 22) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0033445 k( 23) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445 k( 24) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0033445 k( 25) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033445 k( 26) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0033445 k( 27) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033445 k( 28) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0033445 k( 29) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033445 k( 30) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0033445 k( 31) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033445 k( 32) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0033445 k( 33) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033445 k( 34) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033445 k( 35) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033445 k( 36) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0033445 k( 37) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033445 k( 38) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0033445 k( 39) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033445 k( 40) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0033445 k( 41) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0033445 k( 42) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0033445 k( 43) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033445 k( 44) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0033445 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 47) = ( -0.0113969 0.0113969 0.5000000), wk = 0.0033445 k( 48) = ( -0.0227938 0.0227938 0.5000000), wk = 0.0033445 k( 49) = ( -0.0341907 0.0341907 0.5000000), wk = 0.0033445 k( 50) = ( -0.0455876 0.0455876 0.5000000), wk = 0.0033445 k( 51) = ( -0.0569845 0.0569845 0.5000000), wk = 0.0033445 k( 52) = ( -0.0683814 0.0683814 0.5000000), wk = 0.0033445 k( 53) = ( -0.0797783 0.0797783 0.5000000), wk = 0.0033445 k( 54) = ( -0.0911752 0.0911752 0.5000000), wk = 0.0033445 k( 55) = ( -0.1025721 0.1025721 0.5000000), wk = 0.0033445 k( 56) = ( -0.1139690 0.1139690 0.5000000), wk = 0.0033445 k( 57) = ( -0.1253659 0.1253659 0.5000000), wk = 0.0033445 k( 58) = ( -0.1253659 0.1253659 0.5000000), wk = 0.0033445 k( 59) = ( -0.1335102 0.1335102 0.4918558), wk = 0.0033445 k( 60) = ( -0.1416544 0.1416544 0.4837116), wk = 0.0033445 k( 61) = ( -0.1497986 0.1497986 0.4755673), wk = 0.0033445 k( 62) = ( -0.1579428 0.1579428 0.4674231), wk = 0.0033445 k( 63) = ( -0.1660870 0.1660870 0.4592789), wk = 0.0033445 k( 64) = ( -0.1742313 0.1742313 0.4511347), wk = 0.0033445 k( 65) = ( -0.1823755 0.1823755 0.4429905), wk = 0.0033445 k( 66) = ( -0.1905197 0.1905197 0.4348462), wk = 0.0033445 k( 67) = ( -0.1986639 0.1986639 0.4267020), wk = 0.0033445 k( 68) = ( -0.2068081 0.2068081 0.4185578), wk = 0.0033445 k( 69) = ( -0.2149523 0.2149523 0.4104136), wk = 0.0033445 k( 70) = ( -0.2230966 0.2230966 0.4022694), wk = 0.0033445 k( 71) = ( -0.2312408 0.2312408 0.3941252), wk = 0.0033445 k( 72) = ( -0.2393850 0.2393850 0.3859809), wk = 0.0033445 k( 73) = ( -0.2475292 0.2475292 0.3778367), wk = 0.0033445 k( 74) = ( -0.2556734 0.2556734 0.3696925), wk = 0.0033445 k( 75) = ( -0.2638177 0.2638177 0.3615483), wk = 0.0033445 k( 76) = ( -0.2719619 0.2719619 0.3534041), wk = 0.0033445 k( 77) = ( -0.2801061 0.2801061 0.3452598), wk = 0.0033445 k( 78) = ( -0.2882503 0.2882503 0.3371156), wk = 0.0033445 k( 79) = ( -0.2963945 0.2963945 0.3289714), wk = 0.0033445 k( 80) = ( -0.3045388 0.3045387 0.3208272), wk = 0.0033445 k( 81) = ( -0.3126830 0.3126830 0.3126830), wk = 0.0033445 k( 82) = ( -0.3126830 0.3126830 0.3126830), wk = 0.0033445 k( 83) = ( -0.3046655 0.3046655 0.3046655), wk = 0.0033445 k( 84) = ( -0.2966479 0.2966479 0.2966479), wk = 0.0033445 k( 85) = ( -0.2886304 0.2886304 0.2886304), wk = 0.0033445 k( 86) = ( -0.2806129 0.2806129 0.2806129), wk = 0.0033445 k( 87) = ( -0.2725954 0.2725954 0.2725954), wk = 0.0033445 k( 88) = ( -0.2645779 0.2645779 0.2645779), wk = 0.0033445 k( 89) = ( -0.2565604 0.2565604 0.2565604), wk = 0.0033445 k( 90) = ( -0.2485429 0.2485429 0.2485429), wk = 0.0033445 k( 91) = ( -0.2405254 0.2405254 0.2405254), wk = 0.0033445 k( 92) = ( -0.2325078 0.2325079 0.2325079), wk = 0.0033445 k( 93) = ( -0.2244903 0.2244903 0.2244903), wk = 0.0033445 k( 94) = ( -0.2164728 0.2164728 0.2164728), wk = 0.0033445 k( 95) = ( -0.2084553 0.2084553 0.2084553), wk = 0.0033445 k( 96) = ( -0.2004378 0.2004378 0.2004378), wk = 0.0033445 k( 97) = ( -0.1924203 0.1924203 0.1924203), wk = 0.0033445 k( 98) = ( -0.1844028 0.1844028 0.1844028), wk = 0.0033445 k( 99) = ( -0.1763853 0.1763853 0.1763853), wk = 0.0033445 k( 100) = ( -0.1683678 0.1683677 0.1683678), wk = 0.0033445 k( 101) = ( -0.1603502 0.1603502 0.1603502), wk = 0.0033445 k( 102) = ( -0.1523327 0.1523327 0.1523327), wk = 0.0033445 k( 103) = ( -0.1443152 0.1443152 0.1443152), wk = 0.0033445 k( 104) = ( -0.1362977 0.1362977 0.1362977), wk = 0.0033445 k( 105) = ( -0.1282802 0.1282802 0.1282802), wk = 0.0033445 k( 106) = ( -0.1202627 0.1202627 0.1202627), wk = 0.0033445 k( 107) = ( -0.1122452 0.1122452 0.1122452), wk = 0.0033445 k( 108) = ( -0.1042277 0.1042277 0.1042277), wk = 0.0033445 k( 109) = ( -0.0962101 0.0962102 0.0962101), wk = 0.0033445 k( 110) = ( -0.0881926 0.0881926 0.0881926), wk = 0.0033445 k( 111) = ( -0.0801751 0.0801751 0.0801751), wk = 0.0033445 k( 112) = ( -0.0721576 0.0721576 0.0721576), wk = 0.0033445 k( 113) = ( -0.0641401 0.0641401 0.0641401), wk = 0.0033445 k( 114) = ( -0.0561226 0.0561226 0.0561226), wk = 0.0033445 k( 115) = ( -0.0481051 0.0481051 0.0481051), wk = 0.0033445 k( 116) = ( -0.0400876 0.0400876 0.0400876), wk = 0.0033445 k( 117) = ( -0.0320701 0.0320701 0.0320701), wk = 0.0033445 k( 118) = ( -0.0240525 0.0240525 0.0240525), wk = 0.0033445 k( 119) = ( -0.0160350 0.0160350 0.0160350), wk = 0.0033445 k( 120) = ( -0.0080175 0.0080175 0.0080175), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 123) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0033445 k( 124) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0033445 k( 125) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0033445 k( 126) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0033445 k( 127) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0033445 k( 128) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0033445 k( 129) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0033445 k( 130) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0033445 k( 131) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0033445 k( 132) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0033445 k( 133) = ( 0.1774194 0.1774193 -0.1774194), wk = 0.0033445 k( 134) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0033445 k( 135) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0033445 k( 136) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0033445 k( 137) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0033445 k( 138) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0033445 k( 139) = ( 0.2741936 0.2741936 -0.2741935), wk = 0.0033445 k( 140) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0033445 k( 141) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0033445 k( 142) = ( 0.3225807 0.3225807 -0.3225806), wk = 0.0033445 k( 143) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0033445 k( 144) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0033445 k( 145) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0033445 k( 146) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0033445 k( 147) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0033445 k( 148) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0033445 k( 149) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0033445 k( 150) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0033445 k( 151) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0033445 k( 152) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0033445 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033445 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033445 k( 155) = ( 0.4918558 0.5081442 -0.4918558), wk = 0.0033445 k( 156) = ( 0.4837116 0.5162884 -0.4837116), wk = 0.0033445 k( 157) = ( 0.4755673 0.5244327 -0.4755673), wk = 0.0033445 k( 158) = ( 0.4674231 0.5325769 -0.4674231), wk = 0.0033445 k( 159) = ( 0.4592789 0.5407211 -0.4592789), wk = 0.0033445 k( 160) = ( 0.4511347 0.5488653 -0.4511347), wk = 0.0033445 k( 161) = ( 0.4429905 0.5570095 -0.4429905), wk = 0.0033445 k( 162) = ( 0.4348462 0.5651537 -0.4348462), wk = 0.0033445 k( 163) = ( 0.4267020 0.5732980 -0.4267020), wk = 0.0033445 k( 164) = ( 0.4185578 0.5814422 -0.4185578), wk = 0.0033445 k( 165) = ( 0.4104136 0.5895864 -0.4104136), wk = 0.0033445 k( 166) = ( 0.4022694 0.5977306 -0.4022694), wk = 0.0033445 k( 167) = ( 0.3941252 0.6058748 -0.3941252), wk = 0.0033445 k( 168) = ( 0.3859809 0.6140191 -0.3859809), wk = 0.0033445 k( 169) = ( 0.3778367 0.6221633 -0.3778367), wk = 0.0033445 k( 170) = ( 0.3696925 0.6303075 -0.3696925), wk = 0.0033445 k( 171) = ( 0.3615483 0.6384517 -0.3615483), wk = 0.0033445 k( 172) = ( 0.3534041 0.6465959 -0.3534041), wk = 0.0033445 k( 173) = ( 0.3452598 0.6547401 -0.3452598), wk = 0.0033445 k( 174) = ( 0.3371156 0.6628844 -0.3371156), wk = 0.0033445 k( 175) = ( 0.3289714 0.6710286 -0.3289714), wk = 0.0033445 k( 176) = ( 0.3208272 0.6791728 -0.3208272), wk = 0.0033445 k( 177) = ( 0.3126830 0.6873170 -0.3126830), wk = 0.0033445 k( 178) = ( 0.3126830 0.6873170 -0.3126830), wk = 0.0033445 k( 179) = ( 0.2953117 0.6769105 -0.2953117), wk = 0.0033445 k( 180) = ( 0.2779404 0.6665040 -0.2779404), wk = 0.0033445 k( 181) = ( 0.2605691 0.6560975 -0.2605691), wk = 0.0033445 k( 182) = ( 0.2431979 0.6456910 -0.2431979), wk = 0.0033445 k( 183) = ( 0.2258266 0.6352845 -0.2258266), wk = 0.0033445 k( 184) = ( 0.2084553 0.6248780 -0.2084553), wk = 0.0033445 k( 185) = ( 0.1910840 0.6144715 -0.1910840), wk = 0.0033445 k( 186) = ( 0.1737128 0.6040650 -0.1737128), wk = 0.0033445 k( 187) = ( 0.1563415 0.5936585 -0.1563415), wk = 0.0033445 k( 188) = ( 0.1389702 0.5832520 -0.1389702), wk = 0.0033445 k( 189) = ( 0.1215989 0.5728455 -0.1215989), wk = 0.0033445 k( 190) = ( 0.1042277 0.5624390 -0.1042277), wk = 0.0033445 k( 191) = ( 0.0868564 0.5520325 -0.0868564), wk = 0.0033445 k( 192) = ( 0.0694851 0.5416260 -0.0694851), wk = 0.0033445 k( 193) = ( 0.0521138 0.5312195 -0.0521138), wk = 0.0033445 k( 194) = ( 0.0347425 0.5208130 -0.0347425), wk = 0.0033445 k( 195) = ( 0.0173713 0.5104065 -0.0173713), wk = 0.0033445 k( 196) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033445 k( 197) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033445 k( 198) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0033445 k( 199) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0033445 k( 200) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0033445 k( 201) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0033445 k( 202) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0033445 k( 203) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0033445 k( 204) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0033445 k( 205) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0033445 k( 206) = ( 0.0725806 0.4274193 0.0725806), wk = 0.0033445 k( 207) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0033445 k( 208) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0033445 k( 209) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0033445 k( 210) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0033445 k( 211) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0033445 k( 212) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0033445 k( 213) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0033445 k( 214) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0033445 k( 215) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0033445 k( 216) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0033445 k( 217) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0033445 k( 218) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0033445 k( 219) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0033445 k( 220) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0033445 k( 221) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0033445 k( 222) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0033445 k( 223) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0033445 k( 224) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0033445 k( 225) = ( 0.2258064 0.2741936 0.2258065), wk = 0.0033445 k( 226) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0033445 k( 227) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0033445 k( 228) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 k( 229) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 k( 230) = ( 0.2631579 0.2631579 0.2302439), wk = 0.0033445 k( 231) = ( 0.2763158 0.2763158 0.2104878), wk = 0.0033445 k( 232) = ( 0.2894737 0.2894737 0.1907317), wk = 0.0033445 k( 233) = ( 0.3026316 0.3026316 0.1709756), wk = 0.0033445 k( 234) = ( 0.3157895 0.3157895 0.1512195), wk = 0.0033445 k( 235) = ( 0.3289474 0.3289474 0.1314634), wk = 0.0033445 k( 236) = ( 0.3421053 0.3421053 0.1117073), wk = 0.0033445 k( 237) = ( 0.3552632 0.3552632 0.0919512), wk = 0.0033445 k( 238) = ( 0.3684211 0.3684211 0.0721951), wk = 0.0033445 k( 239) = ( 0.3815789 0.3815789 0.0524390), wk = 0.0033445 k( 240) = ( 0.3947368 0.3947368 0.0326829), wk = 0.0033445 k( 241) = ( 0.4078947 0.4078947 0.0129268), wk = 0.0033445 k( 242) = ( 0.4210526 0.4210526 -0.0068293), wk = 0.0033445 k( 243) = ( 0.4342105 0.4342105 -0.0265854), wk = 0.0033445 k( 244) = ( 0.4473684 0.4473684 -0.0463415), wk = 0.0033445 k( 245) = ( 0.4605263 0.4605263 -0.0660976), wk = 0.0033445 k( 246) = ( 0.4736842 0.4736842 -0.0858537), wk = 0.0033445 k( 247) = ( 0.4868421 0.4868421 -0.1056098), wk = 0.0033445 k( 248) = ( 0.5000000 0.5000000 -0.1253659), wk = 0.0033445 k( 249) = ( 0.5000000 0.5000000 -0.1253659), wk = 0.0033445 k( 250) = ( 0.5000000 0.5000000 -0.1367185), wk = 0.0033445 k( 251) = ( 0.5000000 0.5000000 -0.1480710), wk = 0.0033445 k( 252) = ( 0.5000000 0.5000000 -0.1594236), wk = 0.0033445 k( 253) = ( 0.5000000 0.5000000 -0.1707761), wk = 0.0033445 k( 254) = ( 0.5000000 0.5000000 -0.1821287), wk = 0.0033445 k( 255) = ( 0.5000000 0.5000000 -0.1934812), wk = 0.0033445 k( 256) = ( 0.5000000 0.5000000 -0.2048338), wk = 0.0033445 k( 257) = ( 0.5000000 0.5000000 -0.2161863), wk = 0.0033445 k( 258) = ( 0.5000000 0.5000000 -0.2275389), wk = 0.0033445 k( 259) = ( 0.5000000 0.5000000 -0.2388914), wk = 0.0033445 k( 260) = ( 0.5000000 0.5000000 -0.2502440), wk = 0.0033445 k( 261) = ( 0.5000000 0.5000000 -0.2615965), wk = 0.0033445 k( 262) = ( 0.5000000 0.5000000 -0.2729491), wk = 0.0033445 k( 263) = ( 0.5000000 0.5000000 -0.2843016), wk = 0.0033445 k( 264) = ( 0.5000000 0.5000000 -0.2956541), wk = 0.0033445 k( 265) = ( 0.5000000 0.5000000 -0.3070067), wk = 0.0033445 k( 266) = ( 0.5000000 0.5000000 -0.3183592), wk = 0.0033445 k( 267) = ( 0.5000000 0.5000000 -0.3297118), wk = 0.0033445 k( 268) = ( 0.5000000 0.5000000 -0.3410643), wk = 0.0033445 k( 269) = ( 0.5000000 0.5000000 -0.3524169), wk = 0.0033445 k( 270) = ( 0.5000000 0.5000000 -0.3637694), wk = 0.0033445 k( 271) = ( 0.5000000 0.5000000 -0.3751220), wk = 0.0033445 k( 272) = ( 0.5000000 0.5000000 -0.3864745), wk = 0.0033445 k( 273) = ( 0.5000000 0.5000000 -0.3978271), wk = 0.0033445 k( 274) = ( 0.5000000 0.5000000 -0.4091796), wk = 0.0033445 k( 275) = ( 0.5000000 0.5000000 -0.4205322), wk = 0.0033445 k( 276) = ( 0.5000000 0.5000000 -0.4318847), wk = 0.0033445 k( 277) = ( 0.5000000 0.5000000 -0.4432373), wk = 0.0033445 k( 278) = ( 0.5000000 0.5000000 -0.4545898), wk = 0.0033445 k( 279) = ( 0.5000000 0.5000000 -0.4659424), wk = 0.0033445 k( 280) = ( 0.5000000 0.5000000 -0.4772949), wk = 0.0033445 k( 281) = ( 0.5000000 0.5000000 -0.4886474), wk = 0.0033445 k( 282) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033445 k( 283) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 284) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0033445 k( 285) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0033445 k( 286) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0033445 k( 287) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0033445 k( 288) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0033445 k( 289) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0033445 k( 290) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0033445 k( 291) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033445 k( 292) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0033445 k( 293) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0033445 k( 294) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0033445 k( 295) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0033445 k( 296) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0033445 k( 297) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0033445 k( 298) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0033445 k( 299) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 Dense grid: 396163 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 89735 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 476, 44) NL pseudopotentials 0.84 Mb ( 238, 232) Each V/rho on FFT grid 0.66 Mb ( 43200) Each G-vector array 0.06 Mb ( 8252) G-vector shells 0.03 Mb ( 3807) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 476, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.31 Mb ( 232, 2, 44) The potential is recalculated from file : ./BeSiP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.4 secs Computing kpt #: 2 total cpu time spent up to now is 53.0 secs Computing kpt #: 3 total cpu time spent up to now is 58.2 secs Computing kpt #: 4 total cpu time spent up to now is 63.4 secs Computing kpt #: 5 total cpu time spent up to now is 68.4 secs Computing kpt #: 6 total cpu time spent up to now is 74.0 secs Computing kpt #: 7 total cpu time spent up to now is 79.8 secs Computing kpt #: 8 total cpu time spent up to now is 84.9 secs Computing kpt #: 9 total cpu time spent up to now is 90.1 secs Computing kpt #: 10 total cpu time spent up to now is 95.3 secs Computing kpt #: 11 total cpu time spent up to now is 100.8 secs Computing kpt #: 12 total cpu time spent up to now is 106.2 secs Computing kpt #: 13 total cpu time spent up to now is 112.0 secs Computing kpt #: 14 total cpu time spent up to now is 118.3 secs Computing kpt #: 15 total cpu time spent up to now is 124.7 secs Computing kpt #: 16 total cpu time spent up to now is 131.2 secs Computing kpt #: 17 total cpu time spent up to now is 139.3 secs Computing kpt #: 18 total cpu time spent up to now is 144.8 secs Computing kpt #: 19 total cpu time spent up to now is 150.2 secs Computing kpt #: 20 total cpu time spent up to now is 155.6 secs Computing kpt #: 21 total cpu time spent up to now is 160.7 secs Computing kpt #: 22 total cpu time spent up to now is 165.9 secs Computing kpt #: 23 total cpu time spent up to now is 171.0 secs Computing kpt #: 24 total cpu time spent up to now is 176.1 secs Computing kpt #: 25 total cpu time spent up to now is 181.7 secs Computing kpt #: 26 total cpu time spent up to now is 187.1 secs Computing kpt #: 27 total cpu time spent up to now is 192.7 secs Computing kpt #: 28 total cpu time spent up to now is 197.8 secs Computing kpt #: 29 total cpu time spent up to now is 203.3 secs Computing kpt #: 30 total cpu time spent up to now is 208.8 secs Computing kpt #: 31 total cpu time spent up to now is 214.9 secs Computing kpt #: 32 total cpu time spent up to now is 221.2 secs Computing kpt #: 33 total cpu time spent up to now is 227.3 secs Computing kpt #: 34 total cpu time spent up to now is 232.9 secs Computing kpt #: 35 total cpu time spent up to now is 238.9 secs Computing kpt #: 36 total cpu time spent up to now is 247.0 secs Computing kpt #: 37 total cpu time spent up to now is 254.0 secs Computing kpt #: 38 total cpu time spent up to now is 259.7 secs Computing kpt #: 39 total cpu time spent up to now is 264.7 secs Computing kpt #: 40 total cpu time spent up to now is 269.9 secs Computing kpt #: 41 total cpu time spent up to now is 274.6 secs Computing kpt #: 42 total cpu time spent up to now is 279.2 secs Computing kpt #: 43 total cpu time spent up to now is 283.7 secs Computing kpt #: 44 total cpu time spent up to now is 288.2 secs Computing kpt #: 45 total cpu time spent up to now is 292.5 secs Computing kpt #: 46 total cpu time spent up to now is 297.0 secs Computing kpt #: 47 total cpu time spent up to now is 301.4 secs Computing kpt #: 48 total cpu time spent up to now is 306.0 secs Computing kpt #: 49 total cpu time spent up to now is 310.5 secs Computing kpt #: 50 total cpu time spent up to now is 315.1 secs Computing kpt #: 51 total cpu time spent up to now is 319.8 secs Computing kpt #: 52 total cpu time spent up to now is 324.5 secs Computing kpt #: 53 total cpu time spent up to now is 329.7 secs Computing kpt #: 54 total cpu time spent up to now is 335.0 secs Computing kpt #: 55 total cpu time spent up to now is 339.8 secs Computing kpt #: 56 total cpu time spent up to now is 345.1 secs Computing kpt #: 57 total cpu time spent up to now is 350.5 secs Computing kpt #: 58 total cpu time spent up to now is 355.9 secs Computing kpt #: 59 total cpu time spent up to now is 361.4 secs Computing kpt #: 60 total cpu time spent up to now is 366.8 secs Computing kpt #: 61 total cpu time spent up to now is 372.2 secs Computing kpt #: 62 total cpu time spent up to now is 377.6 secs Computing kpt #: 63 total cpu time spent up to now is 382.6 secs Computing kpt #: 64 total cpu time spent up to now is 387.8 secs Computing kpt #: 65 total cpu time spent up to now is 392.9 secs Computing kpt #: 66 total cpu time spent up to now is 397.9 secs Computing kpt #: 67 total cpu time spent up to now is 402.8 secs Computing kpt #: 68 total cpu time spent up to now is 408.1 secs Computing kpt #: 69 total cpu time spent up to now is 413.3 secs Computing kpt #: 70 total cpu time spent up to now is 418.3 secs Computing kpt #: 71 total cpu time spent up to now is 423.3 secs Computing kpt #: 72 total cpu time spent up to now is 428.3 secs Computing kpt #: 73 total cpu time spent up to now is 433.1 secs Computing kpt #: 74 total cpu time spent up to now is 438.0 secs Computing kpt #: 75 total cpu time spent up to now is 442.9 secs Computing kpt #: 76 total cpu time spent up to now is 447.8 secs Computing kpt #: 77 total cpu time spent up to now is 452.4 secs Computing kpt #: 78 total cpu time spent up to now is 457.1 secs Computing kpt #: 79 total cpu time spent up to now is 461.7 secs Computing kpt #: 80 total cpu time spent up to now is 466.2 secs Computing kpt #: 81 total cpu time spent up to now is 470.6 secs Computing kpt #: 82 total cpu time spent up to now is 475.0 secs Computing kpt #: 83 total cpu time spent up to now is 479.6 secs Computing kpt #: 84 total cpu time spent up to now is 484.2 secs Computing kpt #: 85 total cpu time spent up to now is 488.8 secs Computing kpt #: 86 total cpu time spent up to now is 493.5 secs Computing kpt #: 87 total cpu time spent up to now is 498.2 secs Computing kpt #: 88 total cpu time spent up to now is 502.9 secs Computing kpt #: 89 total cpu time spent up to now is 507.5 secs Computing kpt #: 90 total cpu time spent up to now is 512.4 secs Computing kpt #: 91 total cpu time spent up to now is 517.6 secs Computing kpt #: 92 total cpu time spent up to now is 522.9 secs Computing kpt #: 93 total cpu time spent up to now is 528.3 secs Computing kpt #: 94 total cpu time spent up to now is 533.5 secs Computing kpt #: 95 total cpu time spent up to now is 538.4 secs Computing kpt #: 96 total cpu time spent up to now is 543.5 secs Computing kpt #: 97 total cpu time spent up to now is 549.0 secs Computing kpt #: 98 total cpu time spent up to now is 554.1 secs Computing kpt #: 99 total cpu time spent up to now is 559.0 secs Computing kpt #: 100 total cpu time spent up to now is 563.8 secs Computing kpt #: 101 total cpu time spent up to now is 568.7 secs Computing kpt #: 102 total cpu time spent up to now is 573.5 secs Computing kpt #: 103 total cpu time spent up to now is 578.5 secs Computing kpt #: 104 total cpu time spent up to now is 583.5 secs Computing kpt #: 105 total cpu time spent up to now is 588.5 secs Computing kpt #: 106 total cpu time spent up to now is 593.8 secs Computing kpt #: 107 total cpu time spent up to now is 599.3 secs Computing kpt #: 108 total cpu time spent up to now is 605.3 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 613.7 secs Computing kpt #: 110 total cpu time spent up to now is 620.9 secs Computing kpt #: 111 total cpu time spent up to now is 627.3 secs Computing kpt #: 112 total cpu time spent up to now is 633.4 secs Computing kpt #: 113 total cpu time spent up to now is 639.5 secs Computing kpt #: 114 total cpu time spent up to now is 645.3 secs Computing kpt #: 115 total cpu time spent up to now is 650.9 secs Computing kpt #: 116 total cpu time spent up to now is 656.5 secs Computing kpt #: 117 total cpu time spent up to now is 661.5 secs Computing kpt #: 118 total cpu time spent up to now is 666.6 secs Computing kpt #: 119 total cpu time spent up to now is 671.8 secs Computing kpt #: 120 total cpu time spent up to now is 676.9 secs Computing kpt #: 121 total cpu time spent up to now is 682.0 secs Computing kpt #: 122 total cpu time spent up to now is 688.7 secs Computing kpt #: 123 total cpu time spent up to now is 693.8 secs Computing kpt #: 124 total cpu time spent up to now is 699.4 secs Computing kpt #: 125 total cpu time spent up to now is 704.8 secs Computing kpt #: 126 total cpu time spent up to now is 710.7 secs Computing kpt #: 127 total cpu time spent up to now is 715.9 secs Computing kpt #: 128 total cpu time spent up to now is 720.9 secs Computing kpt #: 129 total cpu time spent up to now is 726.0 secs Computing kpt #: 130 total cpu time spent up to now is 731.1 secs Computing kpt #: 131 total cpu time spent up to now is 736.2 secs Computing kpt #: 132 total cpu time spent up to now is 741.3 secs Computing kpt #: 133 total cpu time spent up to now is 746.4 secs Computing kpt #: 134 total cpu time spent up to now is 751.5 secs Computing kpt #: 135 total cpu time spent up to now is 756.7 secs Computing kpt #: 136 total cpu time spent up to now is 762.2 secs Computing kpt #: 137 total cpu time spent up to now is 767.4 secs Computing kpt #: 138 total cpu time spent up to now is 772.2 secs Computing kpt #: 139 total cpu time spent up to now is 777.5 secs Computing kpt #: 140 total cpu time spent up to now is 782.3 secs Computing kpt #: 141 total cpu time spent up to now is 786.9 secs Computing kpt #: 142 total cpu time spent up to now is 791.4 secs Computing kpt #: 143 total cpu time spent up to now is 795.8 secs Computing kpt #: 144 total cpu time spent up to now is 800.1 secs Computing kpt #: 145 total cpu time spent up to now is 804.4 secs Computing kpt #: 146 total cpu time spent up to now is 808.7 secs Computing kpt #: 147 total cpu time spent up to now is 813.3 secs Computing kpt #: 148 total cpu time spent up to now is 817.6 secs Computing kpt #: 149 total cpu time spent up to now is 821.9 secs Computing kpt #: 150 total cpu time spent up to now is 826.3 secs Computing kpt #: 151 total cpu time spent up to now is 830.6 secs Computing kpt #: 152 total cpu time spent up to now is 834.9 secs Computing kpt #: 153 total cpu time spent up to now is 839.2 secs Computing kpt #: 154 total cpu time spent up to now is 844.2 secs Computing kpt #: 155 total cpu time spent up to now is 850.7 secs Computing kpt #: 156 total cpu time spent up to now is 855.3 secs Computing kpt #: 157 total cpu time spent up to now is 861.7 secs Computing kpt #: 158 total cpu time spent up to now is 866.2 secs Computing kpt #: 159 total cpu time spent up to now is 870.7 secs Computing kpt #: 160 total cpu time spent up to now is 875.2 secs Computing kpt #: 161 total cpu time spent up to now is 880.0 secs Computing kpt #: 162 total cpu time spent up to now is 884.7 secs Computing kpt #: 163 total cpu time spent up to now is 889.4 secs Computing kpt #: 164 total cpu time spent up to now is 893.9 secs Computing kpt #: 165 total cpu time spent up to now is 898.5 secs Computing kpt #: 166 total cpu time spent up to now is 903.1 secs Computing kpt #: 167 total cpu time spent up to now is 907.6 secs Computing kpt #: 168 total cpu time spent up to now is 912.2 secs Computing kpt #: 169 total cpu time spent up to now is 916.8 secs Computing kpt #: 170 total cpu time spent up to now is 921.3 secs Computing kpt #: 171 total cpu time spent up to now is 926.0 secs Computing kpt #: 172 total cpu time spent up to now is 930.6 secs Computing kpt #: 173 total cpu time spent up to now is 935.1 secs Computing kpt #: 174 total cpu time spent up to now is 939.7 secs Computing kpt #: 175 total cpu time spent up to now is 944.3 secs Computing kpt #: 176 total cpu time spent up to now is 948.8 secs Computing kpt #: 177 total cpu time spent up to now is 953.2 secs Computing kpt #: 178 total cpu time spent up to now is 957.8 secs Computing kpt #: 179 total cpu time spent up to now is 962.3 secs Computing kpt #: 180 total cpu time spent up to now is 967.0 secs Computing kpt #: 181 total cpu time spent up to now is 971.6 secs Computing kpt #: 182 total cpu time spent up to now is 976.3 secs Computing kpt #: 183 total cpu time spent up to now is 981.1 secs Computing kpt #: 184 total cpu time spent up to now is 985.9 secs Computing kpt #: 185 total cpu time spent up to now is 990.7 secs Computing kpt #: 186 total cpu time spent up to now is 995.6 secs Computing kpt #: 187 total cpu time spent up to now is 1001.0 secs Computing kpt #: 188 total cpu time spent up to now is 1006.4 secs Computing kpt #: 189 total cpu time spent up to now is 1012.3 secs Computing kpt #: 190 total cpu time spent up to now is 1017.8 secs Computing kpt #: 191 total cpu time spent up to now is 1023.5 secs Computing kpt #: 192 total cpu time spent up to now is 1029.8 secs Computing kpt #: 193 total cpu time spent up to now is 1036.4 secs Computing kpt #: 194 total cpu time spent up to now is 1042.6 secs Computing kpt #: 195 total cpu time spent up to now is 1048.3 secs Computing kpt #: 196 total cpu time spent up to now is 1053.9 secs Computing kpt #: 197 total cpu time spent up to now is 1059.8 secs Computing kpt #: 198 total cpu time spent up to now is 1065.6 secs Computing kpt #: 199 total cpu time spent up to now is 1071.3 secs Computing kpt #: 200 total cpu time spent up to now is 1077.4 secs Computing kpt #: 201 total cpu time spent up to now is 1083.3 secs Computing kpt #: 202 total cpu time spent up to now is 1089.0 secs Computing kpt #: 203 total cpu time spent up to now is 1094.9 secs Computing kpt #: 204 total cpu time spent up to now is 1100.6 secs Computing kpt #: 205 total cpu time spent up to now is 1106.3 secs Computing kpt #: 206 total cpu time spent up to now is 1112.0 secs Computing kpt #: 207 total cpu time spent up to now is 1117.9 secs Computing kpt #: 208 total cpu time spent up to now is 1123.5 secs Computing kpt #: 209 total cpu time spent up to now is 1129.0 secs Computing kpt #: 210 total cpu time spent up to now is 1134.5 secs Computing kpt #: 211 total cpu time spent up to now is 1139.9 secs Computing kpt #: 212 total cpu time spent up to now is 1146.0 secs Computing kpt #: 213 total cpu time spent up to now is 1151.8 secs Computing kpt #: 214 total cpu time spent up to now is 1157.1 secs Computing kpt #: 215 total cpu time spent up to now is 1162.7 secs Computing kpt #: 216 total cpu time spent up to now is 1167.8 secs Computing kpt #: 217 total cpu time spent up to now is 1173.1 secs Computing kpt #: 218 total cpu time spent up to now is 1178.6 secs Computing kpt #: 219 total cpu time spent up to now is 1184.1 secs Computing kpt #: 220 total cpu time spent up to now is 1189.7 secs Computing kpt #: 221 total cpu time spent up to now is 1196.8 secs Computing kpt #: 222 total cpu time spent up to now is 1202.5 secs Computing kpt #: 223 total cpu time spent up to now is 1207.9 secs Computing kpt #: 224 total cpu time spent up to now is 1213.3 secs Computing kpt #: 225 total cpu time spent up to now is 1218.2 secs Computing kpt #: 226 total cpu time spent up to now is 1222.7 secs Computing kpt #: 227 total cpu time spent up to now is 1227.2 secs Computing kpt #: 228 total cpu time spent up to now is 1231.8 secs Computing kpt #: 229 total cpu time spent up to now is 1236.4 secs Computing kpt #: 230 total cpu time spent up to now is 1240.9 secs Computing kpt #: 231 total cpu time spent up to now is 1245.6 secs Computing kpt #: 232 total cpu time spent up to now is 1250.4 secs Computing kpt #: 233 total cpu time spent up to now is 1255.2 secs Computing kpt #: 234 total cpu time spent up to now is 1260.1 secs Computing kpt #: 235 total cpu time spent up to now is 1265.1 secs Computing kpt #: 236 total cpu time spent up to now is 1270.0 secs Computing kpt #: 237 total cpu time spent up to now is 1274.9 secs Computing kpt #: 238 total cpu time spent up to now is 1280.2 secs Computing kpt #: 239 total cpu time spent up to now is 1285.5 secs Computing kpt #: 240 total cpu time spent up to now is 1290.9 secs Computing kpt #: 241 total cpu time spent up to now is 1296.2 secs Computing kpt #: 242 total cpu time spent up to now is 1301.6 secs Computing kpt #: 243 total cpu time spent up to now is 1307.0 secs Computing kpt #: 244 total cpu time spent up to now is 1312.7 secs Computing kpt #: 245 total cpu time spent up to now is 1318.2 secs Computing kpt #: 246 total cpu time spent up to now is 1323.7 secs Computing kpt #: 247 total cpu time spent up to now is 1329.2 secs Computing kpt #: 248 total cpu time spent up to now is 1334.9 secs Computing kpt #: 249 total cpu time spent up to now is 1340.3 secs Computing kpt #: 250 total cpu time spent up to now is 1345.6 secs Computing kpt #: 251 total cpu time spent up to now is 1350.5 secs Computing kpt #: 252 total cpu time spent up to now is 1356.0 secs Computing kpt #: 253 total cpu time spent up to now is 1361.2 secs Computing kpt #: 254 total cpu time spent up to now is 1366.1 secs Computing kpt #: 255 total cpu time spent up to now is 1371.4 secs Computing kpt #: 256 total cpu time spent up to now is 1376.3 secs Computing kpt #: 257 total cpu time spent up to now is 1381.3 secs Computing kpt #: 258 total cpu time spent up to now is 1386.0 secs Computing kpt #: 259 total cpu time spent up to now is 1390.7 secs Computing kpt #: 260 total cpu time spent up to now is 1395.7 secs Computing kpt #: 261 total cpu time spent up to now is 1400.4 secs Computing kpt #: 262 total cpu time spent up to now is 1405.2 secs Computing kpt #: 263 total cpu time spent up to now is 1409.9 secs Computing kpt #: 264 total cpu time spent up to now is 1414.7 secs Computing kpt #: 265 total cpu time spent up to now is 1419.4 secs Computing kpt #: 266 total cpu time spent up to now is 1424.2 secs Computing kpt #: 267 total cpu time spent up to now is 1428.9 secs Computing kpt #: 268 total cpu time spent up to now is 1433.5 secs Computing kpt #: 269 total cpu time spent up to now is 1438.2 secs Computing kpt #: 270 total cpu time spent up to now is 1443.2 secs Computing kpt #: 271 total cpu time spent up to now is 1448.6 secs Computing kpt #: 272 total cpu time spent up to now is 1453.2 secs Computing kpt #: 273 total cpu time spent up to now is 1457.7 secs Computing kpt #: 274 total cpu time spent up to now is 1462.3 secs Computing kpt #: 275 total cpu time spent up to now is 1466.8 secs Computing kpt #: 276 total cpu time spent up to now is 1471.3 secs Computing kpt #: 277 total cpu time spent up to now is 1475.9 secs Computing kpt #: 278 total cpu time spent up to now is 1480.4 secs Computing kpt #: 279 total cpu time spent up to now is 1484.9 secs Computing kpt #: 280 total cpu time spent up to now is 1489.4 secs Computing kpt #: 281 total cpu time spent up to now is 1493.7 secs Computing kpt #: 282 total cpu time spent up to now is 1497.9 secs Computing kpt #: 283 total cpu time spent up to now is 1502.3 secs Computing kpt #: 284 total cpu time spent up to now is 1506.7 secs Computing kpt #: 285 total cpu time spent up to now is 1511.2 secs Computing kpt #: 286 total cpu time spent up to now is 1515.7 secs Computing kpt #: 287 total cpu time spent up to now is 1520.2 secs Computing kpt #: 288 total cpu time spent up to now is 1524.7 secs Computing kpt #: 289 total cpu time spent up to now is 1529.2 secs Computing kpt #: 290 total cpu time spent up to now is 1534.0 secs Computing kpt #: 291 total cpu time spent up to now is 1538.7 secs Computing kpt #: 292 total cpu time spent up to now is 1543.3 secs Computing kpt #: 293 total cpu time spent up to now is 1548.0 secs Computing kpt #: 294 total cpu time spent up to now is 1552.7 secs Computing kpt #: 295 total cpu time spent up to now is 1557.4 secs Computing kpt #: 296 total cpu time spent up to now is 1562.0 secs Computing kpt #: 297 total cpu time spent up to now is 1566.6 secs Computing kpt #: 298 total cpu time spent up to now is 1571.1 secs Computing kpt #: 299 total cpu time spent up to now is 1575.5 secs ethr = 2.78E-11, avg # of iterations = 41.9 total cpu time spent up to now is 1575.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11087 PWs) bands (ev): -92.8461 -92.8461 -92.8460 -92.8460 -6.7158 -6.7158 -3.4872 -3.4872 -3.4025 -3.4025 -3.3998 -3.3998 -1.7984 -1.7984 0.1935 0.1935 1.7491 1.7491 2.1136 2.1136 2.1696 2.1696 2.2293 2.2293 2.2378 2.2378 3.5208 3.5208 3.5392 3.5392 6.2891 6.2891 6.3458 6.3458 6.3513 6.3513 7.4978 7.4978 8.1174 8.1174 9.6165 9.6165 9.6401 9.6401 k = 0.0000 0.0000 0.0197 ( 11109 PWs) bands (ev): -92.8461 -92.8461 -92.8460 -92.8460 -6.7148 -6.7148 -3.4871 -3.4869 -3.4048 -3.4047 -3.4019 -3.4019 -1.7964 -1.7963 0.1935 0.1941 1.7460 1.7479 2.0925 2.0972 2.1381 2.1443 2.2550 2.2582 2.2659 2.2685 3.5172 3.5185 3.5376 3.5378 6.2835 6.2845 6.3388 6.3402 6.3475 6.3478 7.5038 7.5042 8.1226 8.1234 9.6158 9.6204 9.6409 9.6410 k = 0.0000 0.0000 0.0393 ( 11123 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.7115 -6.7115 -3.4866 -3.4862 -3.4121 -3.4118 -3.4076 -3.4075 -1.7902 -1.7901 0.1940 0.1952 1.7381 1.7417 2.0555 2.0618 2.0979 2.1060 2.3035 2.3086 2.3212 2.3239 3.5024 3.5050 3.5386 3.5390 6.2647 6.2663 6.3170 6.3192 6.3423 6.3427 7.5217 7.5224 8.1394 8.1410 9.6189 9.6259 9.6439 9.6442 k = 0.0000 0.0000 0.0590 ( 11129 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.7061 -6.7061 -3.4858 -3.4852 -3.4246 -3.4240 -3.4165 -3.4162 -1.7800 -1.7800 0.1948 0.1966 1.7237 1.7288 2.0181 2.0251 2.0666 2.0761 2.3615 2.3669 2.3814 2.3834 3.4749 3.4787 3.5452 3.5456 6.2258 6.2266 6.2888 6.2902 6.3369 6.3371 7.5497 7.5508 8.1688 8.1713 9.6251 9.6324 9.6495 9.6510 k = 0.0000 0.0000 0.0787 ( 11141 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6986 -6.6986 -3.4852 -3.4842 -3.4416 -3.4406 -3.4284 -3.4280 -1.7663 -1.7663 0.1955 0.1979 1.7015 1.7075 1.9848 1.9924 2.0486 2.0590 2.4239 2.4293 2.4419 2.4429 3.4383 3.4433 3.5558 3.5562 6.1636 6.1644 6.2572 6.2575 6.3315 6.3315 7.5851 7.5866 8.2123 8.2156 9.6335 9.6399 9.6580 9.6613 k = 0.0000 0.0000 0.0983 ( 11151 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6889 -6.6889 -3.4862 -3.4845 -3.4613 -3.4597 -3.4433 -3.4429 -1.7493 -1.7493 0.1956 0.1985 1.6716 1.6778 1.9576 1.9656 2.0451 2.0559 2.4890 2.4943 2.4999 2.5000 3.3961 3.4023 3.5700 3.5703 6.0823 6.0843 6.2188 6.2205 6.3260 6.3261 7.6249 7.6268 8.2715 8.2756 9.6433 9.6484 9.6697 9.6750 k = 0.0000 0.0000 0.1180 ( 11165 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6771 -6.6771 -3.4976 -3.4962 -3.4733 -3.4719 -3.4611 -3.4606 -1.7296 -1.7296 0.1944 0.1978 1.6355 1.6414 1.9378 1.9460 2.0550 2.0656 2.5497 2.5514 2.5571 2.5616 3.3526 3.3602 3.5876 3.5879 5.9866 5.9896 6.1740 6.1767 6.3203 6.3204 7.6663 7.6685 8.3477 8.3525 9.6539 9.6581 9.6843 9.6918 k = 0.0000 0.0000 0.1376 ( 11177 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6631 -6.6631 -3.5235 -3.5230 -3.4817 -3.4813 -3.4731 -3.4730 -1.7076 -1.7075 0.1914 0.1952 1.5956 1.6009 1.9262 1.9347 2.0761 2.0864 2.5905 2.5929 2.6245 2.6292 3.3136 3.3227 3.6087 3.6090 5.8795 5.8833 6.1225 6.1261 6.3141 6.3142 7.7071 7.7094 8.4414 8.4468 9.6654 9.6691 9.7006 9.7108 k = 0.0000 0.0000 0.1573 ( 11177 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6471 -6.6470 -3.5550 -3.5549 -3.5046 -3.5040 -3.4714 -3.4712 -1.6838 -1.6837 0.1859 0.1900 1.5539 1.5586 1.9237 1.9323 2.1063 2.1163 2.6148 2.6180 2.6929 2.6973 3.2863 3.2966 3.6332 3.6335 5.7633 5.7678 6.0647 6.0690 6.3072 6.3073 7.7461 7.7485 8.5520 8.5579 9.6780 9.6815 9.7167 9.7303 k = 0.0000 0.0000 0.1770 ( 11183 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6289 -6.6289 -3.5899 -3.5897 -3.5297 -3.5291 -3.4691 -3.4687 -1.6587 -1.6585 0.1774 0.1818 1.5120 1.5162 1.9307 1.9394 2.1439 2.1538 2.6177 2.6211 2.7611 2.7653 3.2776 3.2887 3.6613 3.6615 5.6399 5.6451 6.0010 6.0059 6.2996 6.2996 7.7831 7.7856 8.6781 8.6844 9.6917 9.6954 9.7297 9.7451 k = 0.0000 0.0000 0.1966 ( 11187 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6086 -6.6086 -3.6271 -3.6268 -3.5567 -3.5560 -3.4667 -3.4661 -1.6327 -1.6324 0.1656 0.1702 1.4712 1.4748 1.9476 1.9563 2.1875 2.1975 2.5976 2.6002 2.8288 2.8327 3.2911 3.3022 3.6928 3.6930 5.5110 5.5168 5.9319 5.9374 6.2910 6.2910 7.8185 7.8209 8.8175 8.8242 9.7065 9.7108 9.7376 9.7501 k = 0.0000 0.0000 0.2163 ( 11183 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5863 -6.5862 -3.6662 -3.6658 -3.5853 -3.5846 -3.4644 -3.4636 -1.6063 -1.6059 0.1503 0.1549 1.4321 1.4352 1.9744 1.9830 2.2351 2.2456 2.5582 2.5591 2.8955 2.8991 3.3252 3.3358 3.7278 3.7279 5.3781 5.3845 5.8578 5.8638 6.2814 6.2815 7.8527 7.8549 8.9679 8.9750 9.7212 9.7281 9.7420 9.7493 k = 0.0000 0.0000 0.2360 ( 11191 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5619 -6.5618 -3.7067 -3.7063 -3.6154 -3.6146 -3.4624 -3.4615 -1.5797 -1.5792 0.1313 0.1360 1.3954 1.3980 2.0112 2.0196 2.2819 2.2940 2.5072 2.5092 2.9609 2.9642 3.3750 3.3848 3.7661 3.7661 5.2425 5.2495 5.7793 5.7858 6.2708 6.2709 7.8862 7.8884 9.1268 9.1344 9.7287 9.7437 9.7493 9.7520 k = 0.0000 0.0000 0.2556 ( 11209 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5355 -6.5354 -3.7483 -3.7479 -3.6465 -3.6457 -3.4609 -3.4599 -1.5534 -1.5528 0.1088 0.1135 1.3615 1.3636 2.0574 2.0657 2.3107 2.3246 2.4679 2.4729 3.0246 3.0275 3.4356 3.4446 3.8070 3.8073 5.1054 5.1131 5.6968 5.7038 6.2591 6.2591 7.9196 7.9216 9.2906 9.2989 9.7262 9.7383 9.7717 9.7729 k = 0.0000 0.0000 0.2753 ( 11201 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5070 -6.5069 -3.7908 -3.7903 -3.6784 -3.6776 -3.4601 -3.4590 -1.5276 -1.5269 0.0832 0.0877 1.3307 1.3324 2.1128 2.1207 2.2868 2.2968 2.4859 2.4883 3.0864 3.0890 3.5032 3.5116 3.8501 3.8507 4.9682 4.9767 5.6109 5.6184 6.2462 6.2462 7.9533 7.9551 9.4534 9.4628 9.7192 9.7299 9.8026 9.8037 k = 0.0000 0.0000 0.2949 ( 11211 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4766 -6.4765 -3.8338 -3.8333 -3.7110 -3.7102 -3.4601 -3.4589 -1.5025 -1.5016 0.0546 0.0590 1.3032 1.3044 2.1766 2.1842 2.2238 2.2297 2.5448 2.5453 3.1462 3.1484 3.5753 3.5830 3.8941 3.8952 4.8325 4.8419 5.5221 5.5300 6.2321 6.2321 7.9874 7.9891 9.6009 9.6114 9.7094 9.7194 9.8533 9.8546 k = 0.0000 0.0000 0.3146 ( 11208 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4442 -6.4441 -3.8771 -3.8765 -3.7440 -3.7431 -3.4612 -3.4599 -1.4782 -1.4772 0.0236 0.0278 1.2790 1.2797 2.1488 2.1520 2.2486 2.2557 2.6170 2.6189 3.2039 3.2058 3.6501 3.6573 3.9369 3.9388 4.7006 4.7113 5.4309 5.4392 6.2167 6.2167 8.0223 8.0238 9.6969 9.7045 9.7054 9.7172 9.9445 9.9457 k = 0.0000 0.0000 0.3343 ( 11214 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4098 -6.4097 -3.9205 -3.9199 -3.7771 -3.7762 -3.4636 -3.4622 -1.4549 -1.4537 -0.0096 -0.0055 1.2583 1.2584 2.0713 2.0729 2.3274 2.3342 2.6974 2.6999 3.2594 3.2609 3.7263 3.7330 3.9744 3.9773 4.5767 4.5890 5.3378 5.3465 6.2000 6.2000 8.0581 8.0595 9.6829 9.6915 9.7612 9.7699 9.9664 9.9720 k = 0.0000 0.0000 0.3539 ( 11224 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.3736 -6.3735 -3.9639 -3.9633 -3.8101 -3.8092 -3.4675 -3.4660 -1.4326 -1.4313 -0.0444 -0.0405 1.2403 1.2408 1.9947 1.9949 2.4126 2.4190 2.7837 2.7865 3.3127 3.3137 3.8030 3.8093 3.9981 4.0024 4.4696 4.4838 5.2435 5.2526 6.1820 6.1820 8.0949 8.0961 9.6664 9.6749 9.7948 9.8025 9.9856 9.9918 k = 0.0000 0.0000 0.3736 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.3355 -6.3354 -4.0070 -4.0064 -3.8428 -3.8419 -3.4731 -3.4715 -1.4112 -1.4098 -0.0805 -0.0768 1.2251 1.2263 1.9200 1.9211 2.5034 2.5094 2.8749 2.8778 3.3635 3.3639 3.8796 3.8855 3.9929 3.9976 4.3954 4.4107 5.1487 5.1582 6.1626 6.1626 8.1327 8.1337 9.6479 9.6562 9.8198 9.8270 10.0025 10.0093 k = 0.0000 0.0000 0.3933 ( 11228 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2956 -6.2955 -4.0498 -4.0492 -3.8752 -3.8742 -3.4806 -3.4789 -1.3908 -1.3892 -0.1176 -0.1141 1.2124 1.2145 1.8497 1.8521 2.5989 2.6044 2.9705 2.9734 3.4107 3.4112 3.9452 3.9481 3.9558 3.9613 4.3690 4.3832 5.0546 5.0644 6.1418 6.1418 8.1715 8.1724 9.6273 9.6355 9.8403 9.8475 10.0173 10.0247 k = 0.0000 0.0000 0.4129 ( 11228 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2539 -6.2538 -4.0922 -4.0916 -3.9069 -3.9059 -3.4902 -3.4885 -1.3712 -1.3695 -0.1553 -0.1520 1.2017 1.2047 1.7853 1.7890 2.6979 2.7029 3.0700 3.0728 3.4521 3.4539 3.8649 3.8656 4.0301 4.0353 4.3814 4.3932 4.9627 4.9728 6.1196 6.1197 8.2114 8.2122 9.6047 9.6127 9.8578 9.8650 10.0305 10.0384 k = 0.0000 0.0000 0.4326 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2105 -6.2104 -4.1341 -4.1335 -3.9378 -3.9368 -3.5021 -3.5003 -1.3522 -1.3506 -0.1934 -0.1903 1.1919 1.1961 1.7284 1.7334 2.7989 2.8032 3.1730 3.1758 3.4820 3.4860 3.7728 3.7776 4.1030 4.1079 4.4110 4.4204 4.8763 4.8864 6.0961 6.0962 8.2523 8.2529 9.5800 9.5880 9.8723 9.8795 10.0426 10.0510 k = 0.0000 0.0000 0.4523 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.1654 -6.1653 -4.1753 -4.1747 -3.9677 -3.9668 -3.5164 -3.5146 -1.3339 -1.3321 -0.2315 -0.2286 1.1823 1.1876 1.6802 1.6866 2.8989 2.9025 3.2793 3.2818 3.4831 3.4896 3.7039 3.7124 4.1739 4.1784 4.4404 4.4471 4.8021 4.8113 6.0712 6.0713 8.2941 8.2945 9.5532 9.5611 9.8834 9.8905 10.0544 10.0630 k = 0.0000 0.0000 0.4719 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.1188 -6.1186 -4.2160 -4.2154 -3.9966 -3.9957 -3.5332 -3.5314 -1.3159 -1.3141 -0.2696 -0.2668 1.1716 1.1781 1.6424 1.6502 2.9913 2.9938 3.3883 3.3903 3.4392 3.4449 3.6891 3.6976 4.2422 4.2464 4.4524 4.4547 4.7536 4.7600 6.0451 6.0452 8.3366 8.3369 9.5243 9.5322 9.8903 9.8973 10.0662 10.0752 k = 0.0000 0.0000 0.4916 ( 11250 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.0705 -6.0704 -4.2560 -4.2554 -4.0243 -4.0233 -3.5527 -3.5508 -1.2981 -1.2963 -0.3074 -0.3048 1.1591 1.1666 1.6162 1.6251 3.0562 3.0574 3.3853 3.3895 3.5002 3.5025 3.7114 3.7181 4.3077 4.3115 4.4276 4.4312 4.7449 4.7469 6.0178 6.0178 8.3797 8.3799 9.4933 9.5011 9.8920 9.8986 10.0788 10.0881 k = 0.0000 0.0000 0.5112 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.0208 -6.0207 -4.2953 -4.2947 -4.0506 -4.0497 -3.5748 -3.5730 -1.2803 -1.2785 -0.3448 -0.3423 1.1444 1.1527 1.6022 1.6119 3.0524 3.0525 3.3872 3.3894 3.6140 3.6157 3.7455 3.7507 4.3653 4.3699 4.3772 4.3842 4.7684 4.7697 5.9893 5.9894 8.4232 8.4233 9.4599 9.4678 9.8874 9.8936 10.0925 10.1019 k = 0.0000 0.0000 0.5309 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.9697 -5.9696 -4.3340 -4.3334 -4.0755 -4.0745 -3.5996 -3.5977 -1.2624 -1.2606 -0.3816 -0.3793 1.1279 1.1367 1.6001 1.6103 2.9791 2.9799 3.4507 3.4510 3.7295 3.7301 3.7823 3.7863 4.3071 4.3178 4.4297 4.4329 4.8086 4.8114 5.9598 5.9599 8.4668 8.4668 9.4242 9.4321 9.8759 9.8816 10.1077 10.1172 k = 0.0000 0.0000 0.5506 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.9174 -5.9172 -4.3721 -4.3715 -4.0987 -4.0978 -3.6270 -3.6251 -1.2443 -1.2424 -0.4178 -0.4156 1.1106 1.1195 1.6091 1.6196 2.8774 2.8788 3.5303 3.5343 3.8162 3.8195 3.8463 3.8503 4.2481 4.2604 4.4846 4.4873 4.8566 4.8601 5.9295 5.9295 8.5099 8.5102 9.3860 9.3940 9.8576 9.8627 10.1243 10.1339 k = 0.0000 0.0000 0.5702 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.8638 -5.8636 -4.4096 -4.4090 -4.1203 -4.1193 -3.6568 -3.6549 -1.2257 -1.2239 -0.4532 -0.4512 1.0936 1.1025 1.6279 1.6383 2.7668 2.7688 3.5977 3.6064 3.8535 3.8604 3.9638 3.9656 4.2073 4.2197 4.5355 4.5378 4.9075 4.9113 5.8985 5.8985 8.5523 8.5527 9.3451 9.3531 9.8328 9.8375 10.1426 10.1521 k = 0.0000 0.0000 0.5899 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.8091 -5.8089 -4.4467 -4.4461 -4.1400 -4.1390 -3.6888 -3.6870 -1.2067 -1.2049 -0.4879 -0.4860 1.0784 1.0871 1.6551 1.6653 2.6539 2.6563 3.6274 3.6390 3.9035 3.9149 4.0814 4.0823 4.1956 4.2065 4.5820 4.5837 4.9589 4.9629 5.8669 5.8670 8.5933 8.5938 9.3015 9.3095 9.8027 9.8070 10.1623 10.1716 k = 0.0000 0.0000 0.6096 ( 11252 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7534 -5.7532 -4.4834 -4.4828 -4.1578 -4.1568 -3.7229 -3.7211 -1.1871 -1.1854 -0.5218 -0.5200 1.0660 1.0745 1.6896 1.6994 2.5413 2.5440 3.6106 3.6205 3.9729 3.9848 4.1969 4.1985 4.2185 4.2260 4.6238 4.6248 5.0096 5.0136 5.8351 5.8352 8.6319 8.6326 9.2548 9.2629 9.7684 9.7726 10.1830 10.1921 k = 0.0000 0.0000 0.6292 ( 11254 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6969 -5.6967 -4.5199 -4.5194 -4.1735 -4.1725 -3.7586 -3.7568 -1.1670 -1.1653 -0.5548 -0.5531 1.0574 1.0655 1.7302 1.7397 2.4302 2.4332 3.5600 3.5667 4.0475 4.0577 4.2676 4.2768 4.3144 4.3147 4.6606 4.6607 5.0588 5.0629 5.8032 5.8034 8.6672 8.6681 9.2052 9.2134 9.7316 9.7356 10.2043 10.2129 k = 0.0000 0.0000 0.6489 ( 11270 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6396 -5.6394 -4.5564 -4.5558 -4.1871 -4.1861 -3.7957 -3.7939 -1.1463 -1.1447 -0.5870 -0.5854 1.0531 1.0610 1.7763 1.7855 2.3213 2.3247 3.4901 3.4940 4.1155 4.1236 4.3447 4.3532 4.4266 4.4281 4.6913 4.6925 5.1061 5.1102 5.7716 5.7718 8.6977 8.6988 9.1525 9.1608 9.6941 9.6980 10.2248 10.2326 k = 0.0000 0.0000 0.6686 ( 11268 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5818 -5.5816 -4.5930 -4.5925 -4.1984 -4.1973 -3.8337 -3.8319 -1.1251 -1.1235 -0.6183 -0.6168 1.0537 1.0613 1.8272 1.8360 2.2153 2.2190 3.4098 3.4116 4.1756 4.1818 4.4375 4.4461 4.5345 4.5384 4.7164 4.7198 5.1512 5.1553 5.7404 5.7407 8.7217 8.7231 9.0971 9.1055 9.6584 9.6623 10.2423 10.2485 k = 0.0000 0.0000 0.6882 ( 11272 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5236 -5.5234 -4.6301 -4.6295 -4.2073 -4.2062 -3.8721 -3.8704 -1.1034 -1.1019 -0.6488 -0.6474 1.0596 1.0670 1.8825 1.8909 2.1125 2.1164 3.3240 3.3242 4.2304 4.2353 4.5376 4.5463 4.6347 4.6437 4.7363 4.7448 5.1940 5.1980 5.7099 5.7104 8.7376 8.7393 9.0394 9.0478 9.6274 9.6313 10.2512 10.2545 k = 0.0000 0.0000 0.7079 ( 11274 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4653 -5.4650 -4.6677 -4.6671 -4.2136 -4.2125 -3.9105 -3.9088 -1.0812 -1.0798 -0.6785 -0.6771 1.0711 1.0782 1.9417 1.9498 2.0131 2.0172 3.2344 3.2354 4.2822 4.2863 4.6385 4.6477 4.7116 4.7321 4.7618 4.7819 5.2342 5.2383 5.6804 5.6811 8.7438 8.7459 8.9802 8.9886 9.6042 9.6080 10.2392 10.2400 k = 0.0000 0.0000 0.7275 ( 11268 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4069 -5.4067 -4.7062 -4.7056 -4.2173 -4.2162 -3.9483 -3.9467 -1.0587 -1.0573 -0.7074 -0.7061 1.0883 1.0952 1.9175 1.9218 2.0045 2.0123 3.1434 3.1453 4.3321 4.3356 4.7264 4.7403 4.7512 4.7570 4.8436 4.8534 5.2721 5.2763 5.6520 5.6530 8.7399 8.7424 8.9205 8.9289 9.5913 9.5950 10.1975 10.2009 k = 0.0000 0.0000 0.7472 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3488 -5.3485 -4.7458 -4.7453 -4.2182 -4.2171 -3.9851 -3.9835 -1.0357 -1.0345 -0.7356 -0.7343 1.1113 1.1180 1.8259 1.8304 2.0706 2.0781 3.0522 3.0549 4.3805 4.3836 4.7418 4.7501 4.8351 4.8421 4.9279 4.9326 5.3075 5.3118 5.6247 5.6261 8.7267 8.7297 8.8620 8.8703 9.5902 9.5938 10.1397 10.1437 k = 0.0000 0.0000 0.7669 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2911 -5.2908 -4.7868 -4.7863 -4.2162 -4.2150 -4.0203 -4.0187 -1.0125 -1.0113 -0.7631 -0.7619 1.1402 1.1468 1.7385 1.7432 2.1399 2.1471 2.9615 2.9648 4.4274 4.4303 4.7387 4.7447 4.9200 4.9275 5.0026 5.0047 5.3405 5.3451 5.5986 5.6005 8.7069 8.7105 8.8063 8.8145 9.6008 9.6043 10.0763 10.0803 k = 0.0000 0.0000 0.7865 ( 11234 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2341 -5.2338 -4.8294 -4.8289 -4.2111 -4.2099 -4.0534 -4.0519 -0.9890 -0.9879 -0.7899 -0.7888 1.1751 1.1814 1.6555 1.6605 2.2121 2.2189 2.8716 2.8755 4.4727 4.4754 4.7282 4.7329 4.9954 5.0029 5.0654 5.0656 5.3715 5.3762 5.5736 5.5760 8.6841 8.6883 8.7556 8.7636 9.6220 9.6255 10.0122 10.0162 k = 0.0000 0.0000 0.8062 ( 11228 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1781 -5.1778 -4.8738 -4.8733 -4.2029 -4.2017 -4.0841 -4.0826 -0.9653 -0.9642 -0.8162 -0.8151 1.2158 1.2220 1.5772 1.5823 2.2869 2.2935 2.7828 2.7872 4.5160 4.5186 4.7114 4.7153 5.0587 5.0662 5.1130 5.1146 5.4004 5.4054 5.5494 5.5524 8.6625 8.6673 8.7119 8.7196 9.6522 9.6556 9.9499 9.9538 k = 0.0000 0.0000 0.8259 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1233 -5.1229 -4.9200 -4.9195 -4.1914 -4.1901 -4.1120 -4.1105 -0.9412 -0.9402 -0.8420 -0.8409 1.2623 1.2683 1.5038 1.5091 2.3643 2.3705 2.6955 2.7003 4.5571 4.5597 4.6891 4.6925 5.1082 5.1155 5.1453 5.1484 5.4276 5.4328 5.5256 5.5293 8.6460 8.6514 8.6771 8.6844 9.6897 9.6932 9.8904 9.8941 k = 0.0000 0.0000 0.8455 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0699 -5.0695 -4.9681 -4.9677 -4.1765 -4.1752 -4.1368 -4.1354 -0.9169 -0.9159 -0.8674 -0.8663 1.3145 1.3203 1.4354 1.4409 2.4440 2.4499 2.6097 2.6150 4.5954 4.5981 4.6620 4.6651 5.1424 5.1491 5.1612 5.1658 5.4534 5.4585 5.5020 5.5063 8.6377 8.6436 8.6527 8.6596 9.7332 9.7367 9.8341 9.8377 k = 0.0000 0.0000 0.8652 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0181 -5.0181 -5.0177 -5.0177 -4.1583 -4.1583 -4.1570 -4.1570 -0.8923 -0.8923 -0.8913 -0.8913 1.3723 1.3723 1.3779 1.3779 2.5259 2.5259 2.5314 2.5314 4.6306 4.6306 4.6334 4.6334 5.1603 5.1603 5.1661 5.1661 5.4780 5.4780 5.4829 5.4829 8.6395 8.6395 8.6460 8.6460 9.7815 9.7815 9.7851 9.7851 k = 0.0000 0.0000 0.8652 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0181 -5.0181 -5.0177 -5.0177 -4.1583 -4.1583 -4.1570 -4.1570 -0.8923 -0.8923 -0.8913 -0.8913 1.3723 1.3723 1.3779 1.3779 2.5259 2.5259 2.5314 2.5314 4.6306 4.6306 4.6334 4.6334 5.1603 5.1603 5.1661 5.1661 5.4780 5.4780 5.4829 5.4829 8.6395 8.6395 8.6460 8.6460 9.7815 9.7815 9.7851 9.7851 k =-0.0114 0.0161 0.8652 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0183 -5.0183 -5.0179 -5.0179 -4.1592 -4.1592 -4.1579 -4.1579 -0.8888 -0.8888 -0.8878 -0.8878 1.3727 1.3727 1.3783 1.3783 2.5266 2.5266 2.5322 2.5322 4.6259 4.6259 4.6287 4.6287 5.1591 5.1591 5.1650 5.1650 5.4745 5.4745 5.4794 5.4794 8.6442 8.6442 8.6507 8.6507 9.7872 9.7872 9.7908 9.7908 k =-0.0228 0.0322 0.8652 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0190 -5.0190 -5.0186 -5.0186 -4.1618 -4.1618 -4.1605 -4.1605 -0.8784 -0.8784 -0.8774 -0.8774 1.3741 1.3741 1.3797 1.3797 2.5288 2.5288 2.5344 2.5344 4.6118 4.6118 4.6147 4.6147 5.1557 5.1557 5.1618 5.1618 5.4640 5.4640 5.4691 5.4691 8.6581 8.6581 8.6646 8.6646 9.8040 9.8040 9.8076 9.8076 k =-0.0342 0.0483 0.8652 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0202 -5.0202 -5.0197 -5.0197 -4.1660 -4.1660 -4.1646 -4.1646 -0.8613 -0.8613 -0.8601 -0.8601 1.3763 1.3763 1.3819 1.3819 2.5326 2.5326 2.5382 2.5382 4.5886 4.5886 4.5915 4.5915 5.1500 5.1500 5.1565 5.1565 5.4471 5.4471 5.4525 5.4525 8.6805 8.6805 8.6870 8.6870 9.8312 9.8312 9.8350 9.8350 k =-0.0456 0.0644 0.8652 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0219 -5.0219 -5.0215 -5.0215 -4.1714 -4.1714 -4.1701 -4.1701 -0.8375 -0.8375 -0.8364 -0.8364 1.3795 1.3795 1.3850 1.3850 2.5378 2.5378 2.5434 2.5434 4.5564 4.5564 4.5594 4.5594 5.1421 5.1421 5.1491 5.1491 5.4246 5.4246 5.4305 5.4305 8.7104 8.7104 8.7170 8.7170 9.8676 9.8676 9.8715 9.8715 k =-0.0570 0.0805 0.8652 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0244 -5.0244 -5.0239 -5.0239 -4.1779 -4.1779 -4.1765 -4.1765 -0.8075 -0.8075 -0.8064 -0.8064 1.3836 1.3836 1.3890 1.3890 2.5444 2.5444 2.5502 2.5502 4.5158 4.5158 4.5189 4.5189 5.1319 5.1319 5.1397 5.1397 5.3975 5.3975 5.4040 5.4040 8.7465 8.7465 8.7533 8.7533 9.9111 9.9111 9.9153 9.9153 k =-0.0684 0.0966 0.8652 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0278 -5.0278 -5.0273 -5.0273 -4.1849 -4.1849 -4.1835 -4.1835 -0.7717 -0.7717 -0.7705 -0.7705 1.3886 1.3886 1.3939 1.3939 2.5525 2.5525 2.5583 2.5583 4.4674 4.4674 4.4706 4.4706 5.1197 5.1197 5.1284 5.1284 5.3668 5.3668 5.3740 5.3740 8.7876 8.7876 8.7945 8.7945 9.9587 9.9587 9.9632 9.9632 k =-0.0798 0.1127 0.8652 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0323 -5.0323 -5.0318 -5.0318 -4.1921 -4.1921 -4.1907 -4.1907 -0.7306 -0.7306 -0.7293 -0.7293 1.3944 1.3944 1.3996 1.3996 2.5620 2.5620 2.5679 2.5679 4.4118 4.4118 4.4152 4.4152 5.1054 5.1054 5.1151 5.1151 5.3335 5.3335 5.3416 5.3416 8.8322 8.8322 8.8392 8.8392 10.0059 10.0059 10.0107 10.0107 k =-0.0912 0.1288 0.8652 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0381 -5.0381 -5.0375 -5.0375 -4.1988 -4.1988 -4.1974 -4.1974 -0.6845 -0.6845 -0.6832 -0.6832 1.4013 1.4013 1.4063 1.4063 2.5729 2.5729 2.5789 2.5789 4.3501 4.3501 4.3538 4.3538 5.0891 5.0891 5.1001 5.1001 5.2984 5.2984 5.3076 5.3076 8.8789 8.8789 8.8859 8.8859 10.0459 10.0459 10.0510 10.0510 k =-0.1026 0.1448 0.8652 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0453 -5.0453 -5.0448 -5.0448 -4.2047 -4.2047 -4.2033 -4.2033 -0.6343 -0.6343 -0.6329 -0.6329 1.4090 1.4090 1.4139 1.4139 2.5851 2.5851 2.5912 2.5912 4.2834 4.2834 4.2874 4.2874 5.0708 5.0708 5.0832 5.0832 5.2622 5.2622 5.2727 5.2727 8.9262 8.9262 8.9333 8.9333 10.0700 10.0700 10.0755 10.0755 k =-0.1140 0.1609 0.8652 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0543 -5.0543 -5.0537 -5.0537 -4.2092 -4.2092 -4.2078 -4.2078 -0.5804 -0.5804 -0.5790 -0.5790 1.4178 1.4178 1.4225 1.4225 2.5985 2.5985 2.6048 2.6048 4.2127 4.2127 4.2171 4.2171 5.0507 5.0507 5.0647 5.0647 5.2254 5.2254 5.2375 5.2375 8.9727 8.9727 8.9800 8.9800 10.0696 10.0696 10.0756 10.0756 k =-0.1254 0.1770 0.8652 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0651 -5.0651 -5.0645 -5.0645 -4.2119 -4.2119 -4.2105 -4.2105 -0.5237 -0.5237 -0.5222 -0.5222 1.4278 1.4278 1.4322 1.4322 2.6132 2.6132 2.6197 2.6197 4.1392 4.1392 4.1441 4.1441 5.0287 5.0287 5.0446 5.0446 5.1887 5.1887 5.2025 5.2025 9.0169 9.0169 9.0243 9.0243 10.0412 10.0412 10.0476 10.0476 k =-0.1254 0.1770 0.8652 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0651 -5.0651 -5.0645 -5.0645 -4.2119 -4.2119 -4.2105 -4.2105 -0.5237 -0.5237 -0.5222 -0.5222 1.4278 1.4278 1.4322 1.4322 2.6132 2.6132 2.6197 2.6197 4.1392 4.1392 4.1441 4.1441 5.0287 5.0287 5.0446 5.0446 5.1887 5.1887 5.2025 5.2025 9.0169 9.0169 9.0243 9.0243 10.0412 10.0412 10.0476 10.0476 k =-0.1335 0.1885 0.8511 ( 11228 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0983 -5.0978 -5.0504 -5.0499 -4.2371 -4.2358 -4.1862 -4.1848 -0.5052 -0.5035 -0.4586 -0.4570 1.4009 1.4052 1.4732 1.4773 2.5685 2.5752 2.6813 2.6876 4.0542 4.0594 4.1156 4.1203 4.9900 4.9933 5.0346 5.0375 5.1477 5.1522 5.1940 5.1994 9.0461 9.0494 9.0561 9.0585 9.9816 9.9881 10.0299 10.0364 k =-0.1417 0.2000 0.8370 ( 11231 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1308 -5.1303 -5.0402 -5.0397 -4.2617 -4.2604 -4.1556 -4.1542 -0.4875 -0.4857 -0.3912 -0.3896 1.3798 1.3840 1.5201 1.5239 2.5261 2.5330 2.7498 2.7560 3.9668 3.9726 4.0903 4.0950 4.9340 4.9374 5.0101 5.0138 5.1188 5.1219 5.1988 5.2043 9.0752 9.0805 9.0940 9.0976 9.9060 9.9125 10.0140 10.0207 k =-0.1498 0.2115 0.8229 ( 11235 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1624 -5.1619 -5.0341 -5.0335 -4.2857 -4.2844 -4.1206 -4.1191 -0.4713 -0.4692 -0.3217 -0.3201 1.3648 1.3688 1.5682 1.5718 2.4860 2.4932 2.8183 2.8245 3.8781 3.8845 4.0633 4.0680 4.8686 4.8718 4.9593 4.9636 5.1101 5.1121 5.2060 5.2115 9.1021 9.1083 9.1365 9.1402 9.8183 9.8246 9.9962 10.0028 k =-0.1579 0.2230 0.8088 ( 11229 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1929 -5.1925 -5.0315 -5.0310 -4.3089 -4.3078 -4.0816 -4.0801 -0.4569 -0.4547 -0.2503 -0.2486 1.3562 1.3599 1.6173 1.6206 2.4485 2.4558 2.8864 2.8925 3.7892 3.7961 4.0347 4.0393 4.7966 4.7996 4.8933 4.8974 5.1112 5.1127 5.2139 5.2192 9.1230 9.1298 9.1821 9.1857 9.7259 9.7316 9.9778 9.9845 k =-0.1661 0.2345 0.7947 ( 11235 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2224 -5.2220 -5.0320 -5.0314 -4.3314 -4.3303 -4.0393 -4.0378 -0.4449 -0.4424 -0.1772 -0.1755 1.3543 1.3578 1.6671 1.6702 2.4134 2.4210 2.9535 2.9595 3.7011 3.7084 4.0043 4.0088 4.7195 4.7223 4.8198 4.8234 5.1154 5.1165 5.2216 5.2268 9.1318 9.1386 9.2297 9.2330 9.6385 9.6431 9.9599 9.9666 k =-0.1742 0.2460 0.7806 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2507 -5.2503 -5.0350 -5.0344 -4.3530 -4.3520 -3.9945 -3.9929 -0.4355 -0.4328 -0.1027 -0.1010 1.3591 1.3624 1.7174 1.7202 2.3810 2.3888 3.0186 3.0243 3.6150 3.6226 3.9721 3.9762 4.6388 4.6413 4.7422 4.7451 5.1204 5.1212 5.2289 5.2341 9.1191 9.1251 9.2784 9.2812 9.5680 9.5709 9.9430 9.9498 k =-0.1824 0.2575 0.7665 ( 11223 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2777 -5.2773 -5.0399 -5.0394 -4.3738 -4.3727 -3.9478 -3.9462 -0.4290 -0.4260 -0.0271 -0.0253 1.3708 1.3738 1.7678 1.7703 2.3514 2.3594 3.0800 3.0853 3.5327 3.5404 3.9376 3.9412 4.5555 4.5577 4.6627 4.6648 5.1253 5.1259 5.2358 5.2409 9.0763 9.0810 9.3270 9.3288 9.5240 9.5253 9.9274 9.9342 k =-0.1905 0.2690 0.7524 ( 11231 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3034 -5.3030 -5.0463 -5.0458 -4.3935 -4.3926 -3.8999 -3.8982 -0.4255 -0.4221 0.0493 0.0511 1.3892 1.3920 1.8180 1.8203 2.3246 2.3328 3.1343 3.1387 3.4578 3.4651 3.9005 3.9034 4.4705 4.4722 4.5832 4.5847 5.1298 5.1304 5.2421 5.2471 9.0043 9.0079 9.3734 9.3737 9.5061 9.5076 9.9127 9.9198 k =-0.1987 0.2805 0.7384 ( 11233 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3277 -5.3274 -5.0538 -5.0533 -4.4123 -4.4113 -3.8514 -3.8496 -0.4250 -0.4213 0.1262 0.1280 1.4142 1.4168 1.8678 1.8699 2.3009 2.3092 3.1728 3.1748 3.3996 3.4050 3.8603 3.8624 4.3845 4.3856 4.5055 4.5073 5.1338 5.1343 5.2478 5.2528 8.9129 8.9161 9.4115 9.4139 9.5081 9.5101 9.8985 9.9057 k =-0.2068 0.2920 0.7243 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3505 -5.3502 -5.0620 -5.0614 -4.4299 -4.4291 -3.8029 -3.8011 -0.4272 -0.4232 0.2030 0.2049 1.4452 1.4478 1.9165 1.9185 2.2804 2.2888 3.1734 3.1770 3.3763 3.3782 3.8165 3.8185 4.2983 4.2987 4.4316 4.4350 5.1372 5.1378 5.2530 5.2580 8.8123 8.8151 9.4353 9.4413 9.5262 9.5297 9.8835 9.8908 k =-0.2150 0.3035 0.7102 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3719 -5.3716 -5.0705 -5.0700 -4.4465 -4.4457 -3.7551 -3.7532 -0.4319 -0.4276 0.2794 0.2814 1.4818 1.4845 1.9639 1.9657 2.2634 2.2719 3.1322 3.1397 3.3879 3.3915 3.7689 3.7722 4.2124 4.2131 4.3641 4.3694 5.1401 5.1408 5.2578 5.2628 8.7087 8.7112 9.4432 9.4513 9.5574 9.5621 9.8665 9.8738 k =-0.2231 0.3150 0.6961 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3917 -5.3914 -5.0792 -5.0786 -4.4619 -4.4611 -3.7085 -3.7065 -0.4388 -0.4342 0.3548 0.3568 1.5233 1.5263 2.0090 2.0109 2.2504 2.2589 3.0737 3.0830 3.4116 3.4171 3.7188 3.7247 4.1289 4.1305 4.3045 4.3118 5.1425 5.1432 5.2622 5.2671 8.6060 8.6083 9.4395 9.4482 9.5941 9.5990 9.8472 9.8543 k =-0.2312 0.3265 0.6820 ( 11245 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4099 -5.4097 -5.0877 -5.0871 -4.4761 -4.4754 -3.6636 -3.6616 -0.4474 -0.4425 0.4285 0.4305 1.5689 1.5723 2.0511 2.0530 2.2420 2.2505 3.0118 3.0219 3.4280 3.4356 3.6695 3.6785 4.0508 4.0538 4.2539 4.2630 5.1444 5.1452 5.2662 5.2711 8.5067 8.5087 9.4277 9.4364 9.6306 9.6354 9.8258 9.8327 k =-0.2394 0.3380 0.6679 ( 11235 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4265 -5.4263 -5.0958 -5.0953 -4.4891 -4.4884 -3.6210 -3.6190 -0.4573 -0.4522 0.4998 0.5018 1.6176 1.6217 2.0887 2.0905 2.2395 2.2476 2.9516 2.9622 3.4254 3.4351 3.6251 3.6363 3.9827 3.9880 4.2124 4.2231 5.1460 5.1467 5.2698 5.2747 8.4125 8.4142 9.4099 9.4182 9.6643 9.6691 9.8036 9.8103 k =-0.2475 0.3495 0.6538 ( 11237 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4415 -5.4412 -5.1035 -5.1030 -4.5007 -4.5001 -3.5812 -3.5791 -0.4680 -0.4626 0.5679 0.5699 1.6684 1.6733 2.1199 2.1213 2.2443 2.2517 2.8954 2.9064 3.3995 3.4095 3.5857 3.5961 3.9306 3.9389 4.1800 4.1918 5.1471 5.1479 5.2731 5.2780 8.3246 8.3260 9.3879 9.3957 9.6939 9.6988 9.7823 9.7888 k =-0.2557 0.3610 0.6397 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4547 -5.4545 -5.1106 -5.1100 -4.5111 -4.5105 -3.5447 -3.5425 -0.4789 -0.4732 0.6318 0.6338 1.7200 1.7258 2.1433 2.1442 2.2572 2.2633 2.8448 2.8559 3.3559 3.3645 3.5429 3.5506 3.8987 3.9098 4.1561 4.1685 5.1479 5.1488 5.2762 5.2811 8.2442 8.2453 9.3634 9.3707 9.7181 9.7240 9.7630 9.7702 k =-0.2638 0.3725 0.6256 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4662 -5.4661 -5.1169 -5.1164 -4.5202 -4.5196 -3.5120 -3.5097 -0.4895 -0.4837 0.6906 0.6925 1.7708 1.7777 2.1592 2.1606 2.2760 2.2809 2.8012 2.8122 3.3037 3.3104 3.4908 3.4966 3.8847 3.8976 4.1401 4.1525 5.1485 5.1493 5.2789 5.2838 8.1722 8.1730 9.3383 9.3450 9.7326 9.7397 9.7515 9.7593 k =-0.2720 0.3841 0.6115 ( 11227 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4760 -5.4759 -5.1224 -5.1219 -4.5279 -4.5273 -3.4834 -3.4811 -0.4994 -0.4934 0.7430 0.7449 1.8192 1.8273 2.1709 2.1729 2.2963 2.3003 2.7659 2.7764 3.2500 3.2550 3.4320 3.4371 3.8819 3.8950 4.1312 4.1428 5.1489 5.1497 5.2813 5.2862 8.1096 8.1102 9.3142 9.3204 9.7277 9.7301 9.7643 9.7660 k =-0.2801 0.3956 0.5974 ( 11235 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4841 -5.4839 -5.1270 -5.1264 -4.5342 -4.5337 -3.4595 -3.4571 -0.5082 -0.5020 0.7880 0.7898 1.8630 1.8726 2.1811 2.1833 2.3140 2.3179 2.7398 2.7495 3.1996 3.2033 3.3727 3.3779 3.8837 3.8961 4.1279 4.1382 5.1492 5.1499 5.2834 5.2883 8.0572 8.0576 9.2926 9.2983 9.7171 9.7194 9.7770 9.7775 k =-0.2883 0.4071 0.5833 ( 11239 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4903 -5.4902 -5.1306 -5.1301 -4.5391 -4.5386 -3.4405 -3.4381 -0.5154 -0.5091 0.8245 0.8261 1.9002 1.9112 2.1905 2.1926 2.3270 2.3311 2.7233 2.7316 3.1560 3.1593 3.3185 3.3240 3.8867 3.8977 4.1283 4.1369 5.1493 5.1500 5.2850 5.2899 8.0155 8.0159 9.2746 9.2799 9.7083 9.7107 9.7865 9.7870 k =-0.2964 0.4186 0.5692 ( 11241 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4948 -5.4947 -5.1332 -5.1327 -4.5426 -4.5422 -3.4267 -3.4243 -0.5208 -0.5145 0.8514 0.8529 1.9287 1.9409 2.1988 2.2004 2.3347 2.3392 2.7153 2.7213 3.1223 3.1258 3.2746 3.2804 3.8891 3.8989 4.1305 4.1374 5.1494 5.1501 5.2863 5.2911 7.9853 7.9857 9.2612 9.2661 9.7020 9.7045 9.7932 9.7937 k =-0.3045 0.4301 0.5551 ( 11245 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4975 -5.4974 -5.1348 -5.1343 -4.5448 -4.5443 -3.4183 -3.4159 -0.5241 -0.5177 0.8679 0.8693 1.9467 1.9598 2.2048 2.2057 2.3382 2.3431 2.7131 2.7163 3.1010 3.1052 3.2456 3.2517 3.8905 3.8994 4.1326 4.1382 5.1494 5.1501 5.2870 5.2919 7.9670 7.9674 9.2529 9.2576 9.6983 9.7007 9.7971 9.7975 k =-0.3127 0.4416 0.5411 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4984 -5.4983 -5.1353 -5.1348 -4.5455 -4.5450 -3.4155 -3.4131 -0.5252 -0.5188 0.8734 0.8749 1.9528 1.9662 2.2071 2.2075 2.3392 2.3442 2.7139 2.7139 3.0937 3.0982 3.2354 3.2417 3.8910 3.8996 4.1335 4.1386 5.1494 5.1501 5.2873 5.2922 7.9608 7.9612 9.2500 9.2547 9.6971 9.6994 9.7984 9.7988 k =-0.3127 0.4416 0.5411 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4984 -5.4983 -5.1353 -5.1348 -4.5455 -4.5450 -3.4155 -3.4131 -0.5252 -0.5188 0.8734 0.8749 1.9528 1.9662 2.2071 2.2075 2.3392 2.3442 2.7139 2.7139 3.0937 3.0982 3.2354 3.2417 3.8910 3.8996 4.1335 4.1386 5.1494 5.1501 5.2873 5.2922 7.9608 7.9612 9.2500 9.2547 9.6971 9.6994 9.7984 9.7988 k =-0.3047 0.4302 0.5272 ( 11252 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5188 -5.5186 -5.0923 -5.0917 -4.5579 -4.5574 -3.4120 -3.4095 -0.5438 -0.5374 0.8853 0.8870 1.9360 1.9482 2.1541 2.1548 2.3589 2.3647 2.7032 2.7033 3.0364 3.0405 3.1908 3.1968 3.9271 3.9376 4.1648 4.1720 5.1556 5.1560 5.2947 5.2994 8.0025 8.0031 9.3229 9.3272 9.7870 9.7896 9.8188 9.8190 k =-0.2966 0.4189 0.5133 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5451 -5.5449 -5.0478 -5.0472 -4.5621 -4.5615 -3.4089 -3.4064 -0.5650 -0.5588 0.8869 0.8890 1.9230 1.9335 2.1031 2.1056 2.3771 2.3836 2.7013 2.7019 2.9886 2.9920 3.1425 3.1480 3.9661 3.9781 4.2015 4.2104 5.1564 5.1564 5.2975 5.3020 8.0455 8.0461 9.3858 9.3895 9.8098 9.8109 9.8676 9.8694 k =-0.2886 0.4076 0.4994 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5769 -5.5767 -5.0019 -5.0013 -4.5583 -4.5577 -3.4062 -3.4036 -0.5889 -0.5828 0.8796 0.8820 1.9125 1.9201 2.0563 2.0615 2.3893 2.3963 2.7032 2.7053 2.9586 2.9608 3.0916 3.0967 4.0075 4.0206 4.2428 4.2532 5.1511 5.1515 5.2957 5.2999 8.0895 8.0903 9.4352 9.4382 9.7826 9.7841 9.9409 9.9430 k =-0.2806 0.3963 0.4856 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6134 -5.6133 -4.9548 -4.9542 -4.5474 -4.5467 -3.4039 -3.4013 -0.6155 -0.6095 0.8649 0.8675 1.9011 1.9042 2.0172 2.0267 2.3937 2.4010 2.6972 2.7013 2.9587 2.9594 3.0391 3.0437 4.0507 4.0647 4.2879 4.2997 5.1397 5.1405 5.2889 5.2930 8.1348 8.1356 9.4688 9.4711 9.7445 9.7464 10.0145 10.0167 k =-0.2726 0.3849 0.4717 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6539 -5.6538 -4.9064 -4.9058 -4.5300 -4.5294 -3.4021 -3.3994 -0.6445 -0.6387 0.8441 0.8470 1.8808 1.8824 1.9922 2.0063 2.3909 2.3982 2.6758 2.6814 2.9822 2.9884 2.9956 2.9981 4.0951 4.1097 4.3365 4.3494 5.1220 5.1232 5.2774 5.2813 8.1811 8.1820 9.4873 9.4887 9.7018 9.7041 10.0924 10.0949 k =-0.2646 0.3736 0.4578 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6975 -5.6973 -4.8568 -4.8562 -4.5071 -4.5064 -3.4007 -3.3980 -0.6759 -0.6704 0.8187 0.8219 1.8486 1.8527 1.9852 2.0015 2.3820 2.3895 2.6444 2.6507 2.9307 2.9351 3.0582 3.0595 4.1400 4.1551 4.3881 4.4020 5.0980 5.0996 5.2614 5.2651 8.2286 8.2296 9.4937 9.4944 9.6588 9.6616 10.1761 10.1788 k =-0.2566 0.3623 0.4439 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7433 -5.7432 -4.8062 -4.8055 -4.4794 -4.4788 -3.3998 -3.3971 -0.7096 -0.7043 0.7897 0.7932 1.8115 1.8159 1.9921 2.0085 2.3679 2.3755 2.6110 2.6176 2.8768 2.8807 3.1402 3.1413 4.1846 4.2000 4.4424 4.4572 5.0675 5.0696 5.2412 5.2450 8.2772 8.2782 9.4924 9.4925 9.6184 9.6216 10.2645 10.2673 k =-0.2485 0.3510 0.4301 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7908 -5.7906 -4.7545 -4.7538 -4.4478 -4.4471 -3.3994 -3.3967 -0.7452 -0.7402 0.7582 0.7620 1.7728 1.7770 2.0080 2.0238 2.3484 2.3561 2.5813 2.5881 2.8231 2.8267 3.2336 3.2345 4.2279 4.2434 4.4992 4.5149 5.0306 5.0332 5.2178 5.2217 8.3269 8.3280 9.4869 9.4876 9.5822 9.5858 10.3553 10.3582 k =-0.2405 0.3397 0.4162 ( 11250 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.8392 -5.8390 -4.7019 -4.7011 -4.4128 -4.4121 -3.3994 -3.3967 -0.7827 -0.7780 0.7251 0.7291 1.7346 1.7384 2.0303 2.0453 2.3231 2.3310 2.5586 2.5655 2.7700 2.7733 3.3346 3.3352 4.2685 4.2839 4.5582 4.5747 4.9876 4.9907 5.1924 5.1965 8.3776 8.3788 9.4809 9.4822 9.5514 9.5554 10.4453 10.4481 k =-0.2325 0.3283 0.4023 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.8881 -5.8880 -4.6484 -4.6476 -4.3750 -4.3742 -3.4000 -3.3973 -0.8219 -0.8174 0.6909 0.6952 1.6978 1.7011 2.0578 2.0719 2.2925 2.3006 2.5441 2.5512 2.7179 2.7210 3.4404 3.4407 4.3046 4.3196 4.6194 4.6366 4.9390 4.9426 5.1667 5.1715 8.4295 8.4307 9.4768 9.4786 9.5266 9.5309 10.5273 10.5298 k =-0.2245 0.3170 0.3885 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.9371 -5.9369 -4.5941 -4.5934 -4.3348 -4.3341 -3.4010 -3.3984 -0.8624 -0.8583 0.6563 0.6608 1.6630 1.6659 2.0897 2.1028 2.2578 2.2661 2.5376 2.5448 2.6669 2.6698 3.5492 3.5492 4.3340 4.3481 4.6825 4.7004 4.8853 4.8894 5.1434 5.1490 8.4824 8.4837 9.4761 9.4781 9.5081 9.5126 10.5664 10.5683 k =-0.2165 0.3057 0.3746 ( 11218 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.9858 -5.9856 -4.5392 -4.5384 -4.2928 -4.2920 -3.4025 -3.3999 -0.9041 -0.9003 0.6217 0.6264 1.6305 1.6330 2.1254 2.1374 2.2207 2.2291 2.5377 2.5453 2.6174 2.6200 3.6589 3.6592 4.3536 4.3665 4.7473 4.7660 4.8277 4.8324 5.1253 5.1324 8.5364 8.5376 9.4796 9.4813 9.4962 9.5003 10.4891 10.4916 k =-0.2085 0.2944 0.3607 ( 11216 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.0339 -6.0338 -4.4837 -4.4829 -4.2492 -4.2484 -3.4044 -3.4019 -0.9468 -0.9433 0.5875 0.5924 1.6006 1.6027 2.1642 2.1749 2.1826 2.1912 2.5423 2.5516 2.5708 2.5721 3.7678 3.7683 4.3606 4.3718 4.7677 4.7728 4.8140 4.8332 5.1158 5.1247 8.5913 8.5926 9.4843 9.4875 9.4940 9.4948 10.3577 10.3608 k =-0.2004 0.2830 0.3468 ( 11210 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.0812 -6.0811 -4.4278 -4.4269 -4.2044 -4.2036 -3.4068 -3.4043 -0.9903 -0.9870 0.5540 0.5591 1.5734 1.5752 2.1446 2.1533 2.2055 2.2147 2.5203 2.5263 2.5577 2.5629 3.8731 3.8740 4.3525 4.3616 4.7080 4.7139 4.8819 4.9018 5.1177 5.1289 8.6472 8.6485 9.4837 9.4910 9.5019 9.5067 10.2117 10.2151 k =-0.1924 0.2717 0.3330 ( 11198 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.1275 -6.1274 -4.3715 -4.3707 -4.1587 -4.1580 -3.4095 -3.4071 -1.0343 -1.0313 0.5214 0.5267 1.5492 1.5506 2.1075 2.1164 2.2482 2.2550 2.4779 2.4842 2.5718 2.5782 3.9701 3.9712 4.3283 4.3354 4.6537 4.6601 4.9512 4.9719 5.1324 5.1459 8.7038 8.7050 9.4850 9.4928 9.5198 9.5249 10.0596 10.0632 k =-0.1844 0.2604 0.3191 ( 11198 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.1726 -6.1725 -4.3151 -4.3141 -4.1125 -4.1117 -3.4127 -3.4102 -1.0787 -1.0760 0.4900 0.4955 1.5280 1.5291 2.0720 2.0810 2.2896 2.2923 2.4397 2.4489 2.5902 2.5970 4.0499 4.0511 4.2890 4.2941 4.6137 4.6205 5.0217 5.0431 5.1596 5.1751 8.7610 8.7622 9.4878 9.4962 9.5420 9.5474 9.9052 9.9091 k =-0.1764 0.2491 0.3052 ( 11200 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2164 -6.2163 -4.2585 -4.2576 -4.0659 -4.0651 -3.4161 -3.4137 -1.1232 -1.1208 0.4600 0.4656 1.5100 1.5107 2.0384 2.0476 2.3152 2.3196 2.4163 2.4315 2.6118 2.6188 4.0985 4.0991 4.2366 4.2399 4.6029 4.6096 5.0933 5.1153 5.1975 5.2150 8.8185 8.8198 9.4894 9.4986 9.5653 9.5712 9.7534 9.7574 k =-0.1684 0.2378 0.2913 ( 11194 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2588 -6.2587 -4.2020 -4.2010 -4.0192 -4.0184 -3.4198 -3.4175 -1.1678 -1.1657 0.4314 0.4371 1.4952 1.4956 2.0071 2.0164 2.3077 2.3151 2.4304 2.4475 2.6360 2.6431 4.1030 4.1036 4.1737 4.1757 4.6342 4.6398 5.1658 5.1884 5.2442 5.2633 8.8761 8.8774 9.4858 9.4963 9.5533 9.5558 9.6457 9.6458 k =-0.1604 0.2264 0.2775 ( 11202 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2996 -6.2995 -4.1457 -4.1447 -3.9727 -3.9719 -3.4237 -3.4216 -1.2123 -1.2104 0.4045 0.4103 1.4838 1.4839 1.9784 1.9878 2.2805 2.2867 2.4711 2.4858 2.6621 2.6693 4.0675 4.0695 4.1030 4.1038 4.7030 4.7074 5.2389 5.2622 5.2976 5.3181 8.9333 8.9346 9.4212 9.4242 9.4736 9.4838 9.6565 9.6612 k =-0.1523 0.2151 0.2636 ( 11218 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.3388 -6.3387 -4.0898 -4.0888 -3.9266 -3.9258 -3.4279 -3.4258 -1.2564 -1.2548 0.3792 0.3851 1.4756 1.4758 1.9524 1.9619 2.2479 2.2531 2.5189 2.5316 2.6896 2.6969 4.0078 4.0106 4.0266 4.0269 4.7948 4.7983 5.3126 5.3364 5.3562 5.3778 8.9891 8.9905 9.2726 9.2755 9.4429 9.4545 9.6935 9.6992 k =-0.1443 0.2038 0.2497 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.3764 -6.3763 -4.0344 -4.0334 -3.8811 -3.8803 -3.4322 -3.4302 -1.3001 -1.2987 0.3556 0.3615 1.4707 1.4713 1.9295 1.9391 2.2146 2.2194 2.5684 2.5794 2.7178 2.7252 3.9358 3.9383 3.9467 3.9473 4.8985 4.9013 5.3865 5.4103 5.4190 5.4410 9.0362 9.0387 9.1319 9.1337 9.3914 9.4036 9.7363 9.7426 k =-0.1363 0.1925 0.2358 ( 11210 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4121 -6.4120 -3.9797 -3.9787 -3.8365 -3.8357 -3.4366 -3.4347 -1.3432 -1.3419 0.3338 0.3398 1.4694 1.4704 1.9097 1.9194 2.1821 2.1867 2.6174 2.6270 2.7456 2.7531 3.8584 3.8590 3.8651 3.8673 5.0079 5.0102 5.4605 5.4807 5.4879 5.5068 8.9628 8.9669 9.1131 9.1133 9.3189 9.3309 9.7823 9.7890 k =-0.1283 0.1812 0.2220 ( 11214 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4461 -6.4460 -3.9259 -3.9250 -3.7929 -3.7922 -3.4410 -3.4392 -1.3855 -1.3844 0.3139 0.3198 1.4716 1.4729 1.8933 1.9030 2.1510 2.1557 2.6643 2.6725 2.7720 2.7795 3.7778 3.7797 3.7837 3.7881 5.1198 5.1218 5.5343 5.5481 5.5615 5.5742 8.8231 8.8268 9.1627 9.1631 9.2300 9.2415 9.8301 9.8373 k =-0.1203 0.1698 0.2081 ( 11206 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4781 -6.4781 -3.8733 -3.8723 -3.7507 -3.7500 -3.4454 -3.4438 -1.4269 -1.4260 0.2957 0.3016 1.4774 1.4791 1.8804 1.8902 2.1217 2.1265 2.7075 2.7142 2.7953 2.8028 3.6982 3.7029 3.7046 3.7114 5.2323 5.2340 5.6075 5.6159 5.6352 5.6426 8.6844 8.6879 9.1307 9.1416 9.2139 9.2144 9.8785 9.8860 k =-0.1122 0.1585 0.1942 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5083 -6.5082 -3.8220 -3.8210 -3.7100 -3.7094 -3.4498 -3.4483 -1.4672 -1.4664 0.2793 0.2851 1.4866 1.4888 1.8712 1.8810 2.0944 2.0994 2.7447 2.7499 2.8135 2.8209 3.6230 3.6298 3.6317 3.6398 5.3440 5.3455 5.6800 5.6839 5.7081 5.7112 8.5498 8.5532 9.0268 9.0369 9.2635 9.2639 9.9256 9.9335 k =-0.1042 0.1472 0.1804 ( 11214 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5365 -6.5365 -3.7723 -3.7713 -3.6711 -3.6705 -3.4541 -3.4527 -1.5062 -1.5056 0.2646 0.2703 1.4994 1.5020 1.8659 1.8756 2.0692 2.0746 2.7733 2.7767 2.8240 2.8311 3.5552 3.5632 3.5682 3.5763 5.4540 5.4553 5.7512 5.7516 5.7796 5.7799 8.4205 8.4237 8.9218 8.9312 9.3109 9.3112 9.9692 9.9771 k =-0.0962 0.1359 0.1665 ( 11206 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5628 -6.5627 -3.7244 -3.7234 -3.6341 -3.6336 -3.4582 -3.4570 -1.5438 -1.5433 0.2517 0.2571 1.5155 1.5185 1.8645 1.8743 2.0464 2.0522 2.7897 2.7914 2.8240 2.8306 3.4985 3.5075 3.5162 3.5240 5.5614 5.5625 5.8184 5.8208 5.8471 5.8500 8.2970 8.3001 8.8183 8.8270 9.3557 9.3559 9.9757 9.9827 k =-0.0882 0.1245 0.1526 ( 11194 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5870 -6.5869 -3.6786 -3.6777 -3.5993 -3.5989 -3.4622 -3.4611 -1.5797 -1.5793 0.2403 0.2455 1.5347 1.5383 1.8674 1.8770 2.0261 2.0324 2.7905 2.7906 2.8109 2.8169 3.4562 3.4662 3.4784 3.4856 5.6652 5.6663 5.8839 5.8883 5.9130 5.9179 8.1800 8.1829 8.7181 8.7262 9.3976 9.3977 9.9529 9.9612 k =-0.0802 0.1132 0.1387 ( 11190 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6092 -6.6091 -3.6352 -3.6343 -3.5669 -3.5666 -3.4658 -3.4649 -1.6138 -1.6135 0.2304 0.2354 1.5568 1.5610 1.8744 1.8839 2.0087 2.0155 2.7722 2.7737 2.7838 2.7890 3.4306 3.4411 3.4558 3.4621 5.7647 5.7657 5.9475 5.9533 5.9769 5.9832 8.0701 8.0729 8.6228 8.6301 9.4365 9.4365 9.9216 9.9311 k =-0.0722 0.1019 0.1249 ( 11176 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6293 -6.6293 -3.5944 -3.5936 -3.5371 -3.5370 -3.4690 -3.4684 -1.6458 -1.6456 0.2220 0.2267 1.5814 1.5862 1.8859 1.8952 1.9946 2.0019 2.7369 2.7397 2.7437 2.7481 3.4208 3.4313 3.4472 3.4524 5.8589 5.8598 6.0085 6.0153 6.0381 6.0452 7.9679 7.9705 8.5333 8.5400 9.4720 9.4721 9.8836 9.8944 k =-0.0641 0.0906 0.1110 ( 11170 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6474 -6.6474 -3.5567 -3.5559 -3.5106 -3.5103 -3.4714 -3.4713 -1.6755 -1.6754 0.2149 0.2192 1.6078 1.6132 1.9018 1.9109 1.9843 1.9923 2.6882 2.6916 2.6933 2.6968 3.4239 3.4338 3.4496 3.4538 5.9467 5.9476 6.0666 6.0737 6.0958 6.1033 7.8741 7.8765 8.4506 8.4566 9.5042 9.5044 9.8417 9.8535 k =-0.0561 0.0793 0.0971 ( 11162 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6634 -6.6634 -3.5223 -3.5216 -3.4897 -3.4883 -3.4719 -3.4708 -1.7026 -1.7026 0.2090 0.2129 1.6352 1.6411 1.9223 1.9310 1.9788 1.9873 2.6304 2.6338 2.6353 2.6378 3.4353 3.4443 3.4597 3.4628 6.0268 6.0278 6.1211 6.1281 6.1493 6.1569 7.7894 7.7915 8.3756 8.3809 9.5328 9.5332 9.7986 9.8111 k =-0.0481 0.0679 0.0832 ( 11161 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6773 -6.6773 -3.4917 -3.4910 -3.4825 -3.4810 -3.4603 -3.4589 -1.7269 -1.7269 0.2042 0.2076 1.6622 1.6686 1.9473 1.9552 1.9795 1.9881 2.5676 2.5700 2.5731 2.5740 3.4514 3.4590 3.4741 3.4763 6.0979 6.0991 6.1719 6.1782 6.1980 6.2052 7.7143 7.7162 8.3090 8.3136 9.5578 9.5583 9.7567 9.7698 k =-0.0401 0.0566 0.0694 ( 11153 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6890 -6.6890 -3.4833 -3.4821 -3.4648 -3.4643 -3.4432 -3.4423 -1.7480 -1.7480 0.2004 0.2034 1.6874 1.6939 1.9764 1.9802 1.9912 1.9962 2.5023 2.5031 2.5080 2.5091 3.4688 3.4751 3.4902 3.4916 6.1583 6.1599 6.2188 6.2239 6.2411 6.2475 7.6495 7.6511 8.2515 8.2554 9.5790 9.5797 9.7183 9.7317 k =-0.0321 0.0453 0.0555 ( 11145 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6987 -6.6987 -3.4845 -3.4837 -3.4424 -3.4421 -3.4283 -3.4277 -1.7658 -1.7658 0.1975 0.1999 1.7093 1.7154 1.9997 2.0067 2.0157 2.0212 2.4358 2.4365 2.4423 2.4451 3.4855 3.4903 3.5060 3.5067 6.2067 6.2088 6.2612 6.2648 6.2778 6.2832 7.5955 7.5968 8.2036 8.2068 9.5962 9.5972 9.6855 9.6984 k =-0.0241 0.0340 0.0416 ( 11145 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.7062 -6.7062 -3.4857 -3.4851 -3.4247 -3.4245 -3.4164 -3.4160 -1.7799 -1.7799 0.1955 0.1973 1.7265 1.7316 2.0251 2.0334 2.0514 2.0587 2.3701 2.3720 2.3785 2.3824 3.4999 3.5034 3.5197 3.5200 6.2431 6.2453 6.2975 6.2995 6.3077 6.3116 7.5530 7.5540 8.1659 8.1683 9.6088 9.6105 9.6603 9.6714 k =-0.0160 0.0226 0.0277 ( 11125 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.7115 -6.7115 -3.4866 -3.4862 -3.4120 -3.4119 -3.4076 -3.4074 -1.7902 -1.7901 0.1941 0.1953 1.7387 1.7423 2.0577 2.0649 2.0934 2.1003 2.3087 2.3113 2.3178 2.3226 3.5109 3.5132 3.5303 3.5304 6.2685 6.2703 6.3251 6.3254 6.3306 6.3325 7.5223 7.5230 8.1388 8.1404 9.6152 9.6186 9.6452 9.6519 k =-0.0080 0.0113 0.0139 ( 11115 PWs) bands (ev): -92.8461 -92.8461 -92.8460 -92.8460 -6.7148 -6.7148 -3.4871 -3.4869 -3.4047 -3.4047 -3.4019 -3.4019 -1.7964 -1.7964 0.1935 0.1941 1.7461 1.7480 2.0928 2.0977 2.1376 2.1435 2.2569 2.2589 2.2640 2.2682 3.5180 3.5192 3.5369 3.5369 6.2837 6.2847 6.3405 6.3413 6.3459 6.3461 7.5039 7.5042 8.1225 8.1233 9.6157 9.6197 9.6406 9.6419 k = 0.0000 0.0000 0.0000 ( 11087 PWs) bands (ev): -92.8461 -92.8461 -92.8460 -92.8460 -6.7158 -6.7158 -3.4872 -3.4872 -3.4025 -3.4025 -3.3998 -3.3998 -1.7984 -1.7984 0.1935 0.1935 1.7491 1.7491 2.1136 2.1136 2.1696 2.1696 2.2293 2.2293 2.2378 2.2378 3.5208 3.5208 3.5392 3.5392 6.2891 6.2891 6.3458 6.3458 6.3513 6.3513 7.4978 7.4978 8.1174 8.1174 9.6165 9.6165 9.6401 9.6401 k = 0.0000 0.0000 0.0000 ( 11087 PWs) bands (ev): -92.8461 -92.8461 -92.8460 -92.8460 -6.7158 -6.7158 -3.4872 -3.4872 -3.4025 -3.4025 -3.3998 -3.3998 -1.7984 -1.7984 0.1935 0.1935 1.7491 1.7491 2.1136 2.1136 2.1696 2.1696 2.2293 2.2293 2.2378 2.2378 3.5208 3.5208 3.5392 3.5392 6.2891 6.2891 6.3458 6.3458 6.3513 6.3513 7.4978 7.4978 8.1174 8.1174 9.6165 9.6165 9.6401 9.6401 k = 0.0161 0.0114 0.0000 ( 11115 PWs) bands (ev): -92.8461 -92.8461 -92.8460 -92.8460 -6.7147 -6.7147 -3.4939 -3.4939 -3.4027 -3.4027 -3.4000 -3.4000 -1.7923 -1.7923 0.1917 0.1917 1.7465 1.7465 2.1169 2.1169 2.1753 2.1753 2.2310 2.2310 2.2395 2.2395 3.5220 3.5220 3.5404 3.5404 6.2841 6.2841 6.3402 6.3402 6.3470 6.3470 7.4987 7.4987 8.1190 8.1190 9.6187 9.6187 9.6433 9.6433 k = 0.0323 0.0228 0.0000 ( 11131 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.7113 -6.7113 -3.5137 -3.5137 -3.4035 -3.4035 -3.4008 -3.4008 -1.7742 -1.7742 0.1864 0.1864 1.7393 1.7393 2.1266 2.1266 2.1921 2.1921 2.2361 2.2361 2.2445 2.2445 3.5257 3.5257 3.5440 3.5440 6.2687 6.2687 6.3237 6.3237 6.3342 6.3342 7.5013 7.5013 8.1240 8.1240 9.6215 9.6215 9.6479 9.6479 k = 0.0484 0.0343 0.0000 ( 11131 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.7056 -6.7056 -3.5456 -3.5456 -3.4047 -3.4047 -3.4021 -3.4021 -1.7450 -1.7450 0.1777 0.1777 1.7288 1.7288 2.1424 2.1424 2.2183 2.2183 2.2447 2.2447 2.2530 2.2530 3.5318 3.5318 3.5502 3.5502 6.2425 6.2425 6.2976 6.2976 6.3132 6.3132 7.5057 7.5057 8.1323 8.1323 9.6103 9.6103 9.6528 9.6528 k = 0.0645 0.0457 0.0000 ( 11159 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6976 -6.6976 -3.5884 -3.5884 -3.4065 -3.4065 -3.4038 -3.4038 -1.7062 -1.7062 0.1657 0.1657 1.7170 1.7170 2.1640 2.1640 2.2503 2.2503 2.2582 2.2582 2.2654 2.2654 3.5404 3.5404 3.5587 3.5587 6.2048 6.2048 6.2636 6.2636 6.2844 6.2844 7.5117 7.5117 8.1439 8.1439 9.5846 9.5846 9.6667 9.6667 k = 0.0806 0.0571 0.0000 ( 11155 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6874 -6.6874 -3.6405 -3.6405 -3.4087 -3.4087 -3.4060 -3.4060 -1.6595 -1.6595 0.1509 0.1509 1.7053 1.7053 2.1911 2.1911 2.2699 2.2699 2.2782 2.2782 2.2968 2.2968 3.5513 3.5513 3.5697 3.5697 6.1553 6.1553 6.2234 6.2234 6.2484 6.2484 7.5193 7.5193 8.1586 8.1586 9.5498 9.5498 9.6801 9.6801 k = 0.0968 0.0685 0.0000 ( 11163 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6748 -6.6748 -3.7004 -3.7004 -3.4113 -3.4113 -3.4087 -3.4087 -1.6064 -1.6064 0.1334 0.1334 1.6953 1.6953 2.2232 2.2232 2.2882 2.2882 2.2964 2.2964 2.3428 2.3428 3.5647 3.5647 3.5831 3.5831 6.0944 6.0944 6.1780 6.1780 6.2058 6.2058 7.5284 7.5284 8.1765 8.1765 9.5072 9.5072 9.6856 9.6856 k = 0.1129 0.0800 0.0000 ( 11179 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6600 -6.6600 -3.7666 -3.7666 -3.4143 -3.4143 -3.4118 -3.4118 -1.5487 -1.5487 0.1136 0.1136 1.6879 1.6879 2.2599 2.2599 2.3094 2.3094 2.3173 2.3173 2.3935 2.3935 3.5805 3.5805 3.5989 3.5989 6.0233 6.0233 6.1280 6.1280 6.1574 6.1574 7.5388 7.5388 8.1975 8.1975 9.4571 9.4571 9.6742 9.6742 k = 0.1290 0.0914 0.0000 ( 11196 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6430 -6.6430 -3.8379 -3.8379 -3.4177 -3.4177 -3.4152 -3.4152 -1.4876 -1.4876 0.0917 0.0917 1.6840 1.6840 2.3007 2.3007 2.3335 2.3335 2.3410 2.3410 2.4477 2.4477 3.5987 3.5987 3.6170 3.6170 5.9434 5.9434 6.0737 6.0737 6.1039 6.1039 7.5504 7.5504 8.2214 8.2214 9.3996 9.3996 9.6372 9.6372 k = 0.1452 0.1028 0.0000 ( 11188 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6237 -6.6237 -3.9132 -3.9132 -3.4214 -3.4214 -3.4190 -3.4190 -1.4245 -1.4245 0.0683 0.0683 1.6843 1.6843 2.3446 2.3446 2.3609 2.3609 2.3675 2.3675 2.5047 2.5047 3.6192 3.6192 3.6376 3.6376 5.8559 5.8559 6.0156 6.0156 6.0460 6.0460 7.5630 7.5630 8.2480 8.2480 9.3349 9.3349 9.5702 9.5702 k = 0.1613 0.1142 0.0000 ( 11188 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.6021 -6.6021 -3.9916 -3.9916 -3.4254 -3.4254 -3.4231 -3.4231 -1.3604 -1.3604 0.0434 0.0434 1.6894 1.6894 2.3854 2.3854 2.3949 2.3949 2.3990 2.3990 2.5639 2.5639 3.6420 3.6420 3.6604 3.6604 5.7619 5.7619 5.9542 5.9542 5.9844 5.9844 7.5763 7.5763 8.2770 8.2770 9.2635 9.2635 9.4764 9.4764 k = 0.1774 0.1256 0.0000 ( 11188 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5783 -6.5783 -4.0723 -4.0723 -3.4297 -3.4297 -3.4274 -3.4274 -1.2964 -1.2964 0.0176 0.0176 1.6997 1.6997 2.4187 2.4187 2.4271 2.4271 2.4471 2.4471 2.6250 2.6250 3.6672 3.6672 3.6855 3.6855 5.6624 5.6624 5.8899 5.8899 5.9198 5.9198 7.5902 7.5902 8.3081 8.3081 9.1858 9.1858 9.3629 9.3629 k = 0.1935 0.1371 0.0000 ( 11216 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5523 -6.5523 -4.1547 -4.1547 -3.4341 -3.4341 -3.4319 -3.4319 -1.2332 -1.2332 -0.0091 -0.0091 1.7157 1.7157 2.4527 2.4527 2.4606 2.4606 2.5000 2.5000 2.6873 2.6873 3.6945 3.6945 3.7128 3.7128 5.5583 5.5583 5.8233 5.8233 5.8528 5.8528 7.6043 7.6043 8.3409 8.3409 9.1024 9.1024 9.2372 9.2372 k = 0.2097 0.1485 0.0000 ( 11224 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.5241 -6.5241 -4.2383 -4.2383 -3.4387 -3.4387 -3.4366 -3.4366 -1.1715 -1.1715 -0.0363 -0.0363 1.7375 1.7375 2.4884 2.4884 2.4959 2.4959 2.5551 2.5551 2.7506 2.7506 3.7240 3.7240 3.7424 3.7424 5.4502 5.4502 5.7550 5.7550 5.7839 5.7839 7.6184 7.6184 8.3747 8.3747 9.0143 9.0143 9.1047 9.1047 k = 0.2258 0.1599 0.0000 ( 11212 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4936 -6.4936 -4.3226 -4.3226 -3.4434 -3.4434 -3.4414 -3.4414 -1.1118 -1.1118 -0.0638 -0.0638 1.7655 1.7655 2.5256 2.5256 2.5328 2.5328 2.6116 2.6116 2.8144 2.8144 3.7556 3.7556 3.7740 3.7740 5.3391 5.3391 5.6853 5.6853 5.7137 5.7137 7.6321 7.6321 8.4089 8.4089 8.9224 8.9224 8.9694 8.9694 k = 0.2419 0.1713 0.0000 ( 11220 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4609 -6.4609 -4.4072 -4.4072 -3.4482 -3.4482 -3.4463 -3.4463 -1.0545 -1.0545 -0.0914 -0.0914 1.7997 1.7997 2.5642 2.5642 2.5711 2.5711 2.6690 2.6690 2.8784 2.8784 3.7892 3.7892 3.8076 3.8076 5.2253 5.2253 5.6149 5.6149 5.6426 5.6426 7.6449 7.6449 8.4427 8.4427 8.8271 8.8271 8.8344 8.8344 k = 0.2581 0.1827 0.0000 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.4260 -6.4260 -4.4919 -4.4919 -3.4529 -3.4529 -3.4511 -3.4511 -1.0000 -1.0000 -0.1191 -0.1191 1.8404 1.8404 2.6039 2.6039 2.6104 2.6104 2.7267 2.7267 2.9422 2.9422 3.8247 3.8247 3.8431 3.8431 5.1096 5.1096 5.5440 5.5440 5.5711 5.5711 7.6565 7.6565 8.4751 8.4751 8.6993 8.6993 8.7024 8.7024 k = 0.2742 0.1942 0.0000 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.3890 -6.3890 -4.5764 -4.5764 -3.4576 -3.4576 -3.4559 -3.4559 -0.9486 -0.9486 -0.1465 -0.1465 1.8873 1.8873 2.6443 2.6443 2.6504 2.6504 2.7841 2.7841 3.0054 3.0054 3.8620 3.8620 3.8804 3.8804 4.9925 4.9925 5.4730 5.4730 5.4996 5.4996 7.6665 7.6665 8.5051 8.5051 8.5682 8.5682 8.5710 8.5710 k = 0.2903 0.2056 0.0000 ( 11268 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.3498 -6.3498 -4.6605 -4.6605 -3.4622 -3.4622 -3.4607 -3.4607 -0.9002 -0.9002 -0.1737 -0.1737 1.9405 1.9405 2.6850 2.6850 2.6908 2.6908 2.8406 2.8406 3.0676 3.0676 3.9009 3.9009 3.9193 3.9193 4.8745 4.8745 5.4025 5.4025 5.4285 5.4285 7.6743 7.6743 8.4410 8.4410 8.4435 8.4435 8.5317 8.5317 k = 0.3065 0.2170 0.0000 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.3084 -6.3084 -4.7439 -4.7439 -3.4667 -3.4667 -3.4652 -3.4652 -0.8549 -0.8549 -0.2005 -0.2005 1.9997 1.9997 2.7257 2.7257 2.7312 2.7312 2.8954 2.8954 3.1284 3.1284 3.9413 3.9413 3.9597 3.9597 4.7562 4.7562 5.3326 5.3326 5.3580 5.3580 7.6795 7.6795 8.3187 8.3187 8.3211 8.3211 8.4429 8.4429 k = 0.3226 0.2284 0.0000 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2649 -6.2649 -4.8266 -4.8266 -3.4710 -3.4710 -3.4696 -3.4696 -0.8126 -0.8126 -0.2269 -0.2269 2.0646 2.0646 2.7660 2.7660 2.7711 2.7711 2.9478 2.9478 3.1873 3.1873 3.9829 3.9829 4.0013 4.0013 4.6381 4.6381 5.2637 5.2637 5.2885 5.2885 7.6820 7.6820 8.2022 8.2022 8.2044 8.2044 8.3500 8.3500 k = 0.3387 0.2399 0.0000 ( 11252 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.2193 -6.2193 -4.9083 -4.9083 -3.4750 -3.4750 -3.4738 -3.4738 -0.7734 -0.7734 -0.2528 -0.2528 2.1350 2.1350 2.8054 2.8054 2.8101 2.8101 2.9970 2.9970 3.2440 3.2440 4.0256 4.0256 4.0440 4.0440 4.5208 4.5208 5.1962 5.1962 5.2204 5.2204 7.6817 7.6817 8.0922 8.0922 8.0943 8.0943 8.2604 8.2604 k = 0.3548 0.2513 0.0000 ( 11252 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.1716 -6.1716 -4.9890 -4.9890 -3.4788 -3.4788 -3.4777 -3.4777 -0.7368 -0.7368 -0.2783 -0.2783 2.2103 2.2103 2.8434 2.8434 2.8477 2.8477 3.0419 3.0419 3.2981 3.2981 4.0691 4.0691 4.0874 4.0874 4.4052 4.4052 5.1304 5.1304 5.1540 5.1540 7.6786 7.6786 7.9896 7.9896 7.9915 7.9915 8.1747 8.1747 k = 0.3710 0.2627 0.0000 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.1218 -6.1218 -5.0685 -5.0685 -3.4823 -3.4823 -3.4813 -3.4813 -0.7028 -0.7028 -0.3032 -0.3032 2.2901 2.2901 2.8796 2.8796 2.8833 2.8833 3.0814 3.0814 3.3493 3.3493 4.1130 4.1130 4.1311 4.1311 4.2921 4.2921 5.0666 5.0666 5.0895 5.0895 7.6734 7.6734 7.8950 7.8950 7.8967 7.8967 8.0938 8.0938 k = 0.3871 0.2741 0.0000 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.0700 -6.0700 -5.1467 -5.1467 -3.4855 -3.4855 -3.4846 -3.4846 -0.6710 -0.6710 -0.3276 -0.3276 2.3737 2.3737 2.9133 2.9133 2.9166 2.9166 3.1138 3.1138 3.3971 3.3971 4.1571 4.1571 4.1719 4.1719 4.1856 4.1856 5.0052 5.0052 5.0274 5.0274 7.6669 7.6669 7.8093 7.8093 7.8108 7.8108 8.0184 8.0184 k = 0.4032 0.2855 0.0000 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -6.0161 -6.0161 -5.2235 -5.2235 -3.4882 -3.4882 -3.4875 -3.4875 -0.6413 -0.6413 -0.3516 -0.3516 2.4604 2.4604 2.9440 2.9440 2.9469 2.9469 3.1375 3.1375 3.4414 3.4414 4.0775 4.0775 4.2008 4.2008 4.2188 4.2188 4.9469 4.9469 4.9681 4.9681 7.6600 7.6600 7.7331 7.7331 7.7345 7.7345 7.9491 7.9491 k = 0.4194 0.2970 0.0000 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.9602 -5.9602 -5.2989 -5.2989 -3.4906 -3.4906 -3.4900 -3.4900 -0.6132 -0.6132 -0.3751 -0.3751 2.5494 2.5494 2.9713 2.9713 2.9737 2.9737 3.1501 3.1501 3.4822 3.4822 3.9801 3.9801 4.2436 4.2436 4.2609 4.2609 4.8921 4.8921 4.9122 4.9122 7.6539 7.6539 7.6673 7.6673 7.6686 7.6686 7.8864 7.8864 k = 0.4355 0.3084 0.0000 ( 11228 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.9024 -5.9024 -5.3728 -5.3728 -3.4926 -3.4926 -3.4921 -3.4921 -0.5866 -0.5866 -0.3983 -0.3983 2.6397 2.6397 2.9945 2.9945 2.9964 2.9964 3.1492 3.1492 3.5198 3.5198 3.8919 3.8919 4.2846 4.2846 4.3008 4.3008 4.8420 4.8420 4.8605 4.8605 7.6121 7.6121 7.6130 7.6130 7.6511 7.6511 7.8309 7.8309 k = 0.4516 0.3198 0.0000 ( 11208 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.8426 -5.8426 -5.4451 -5.4451 -3.4941 -3.4941 -3.4938 -3.4938 -0.5613 -0.5613 -0.4213 -0.4213 2.7299 2.7299 3.0131 3.0131 3.0145 3.0145 3.1323 3.1323 3.5545 3.5545 3.8150 3.8150 4.3225 4.3225 4.3368 4.3368 4.7982 4.7982 4.8143 4.8143 7.5687 7.5687 7.5694 7.5694 7.6513 7.6513 7.7829 7.7829 k = 0.4677 0.3312 0.0000 ( 11208 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7809 -5.7809 -5.5158 -5.5158 -3.4952 -3.4952 -3.4950 -3.4950 -0.5368 -0.5368 -0.4441 -0.4441 2.8183 2.8183 3.0268 3.0268 3.0277 3.0277 3.0980 3.0980 3.5876 3.5876 3.7510 3.7510 4.3550 4.3550 4.3662 4.3662 4.7634 4.7634 4.7757 4.7757 7.5373 7.5373 7.5377 7.5377 7.6564 7.6564 7.7426 7.7426 k = 0.4839 0.3426 0.0000 ( 11220 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7173 -5.7173 -5.5847 -5.5847 -3.4959 -3.4959 -3.4957 -3.4957 -0.5131 -0.5131 -0.4669 -0.4669 2.9025 2.9025 3.0333 3.0333 3.0358 3.0358 3.0484 3.0484 3.6209 3.6209 3.6991 3.6991 4.3788 4.3788 4.3851 4.3851 4.7413 4.7413 4.7482 4.7482 7.5183 7.5183 7.5186 7.5186 7.6674 7.6674 7.7100 7.7100 k = 0.5000 0.3541 0.0000 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6519 -5.6519 -5.6519 -5.6519 -3.4960 -3.4960 -3.4960 -3.4960 -0.4898 -0.4898 -0.4898 -0.4898 2.9792 2.9792 2.9792 2.9792 3.0389 3.0389 3.0389 3.0389 3.6569 3.6569 3.6569 3.6569 4.3897 4.3897 4.3897 4.3897 4.7358 4.7358 4.7358 4.7358 7.5121 7.5121 7.5121 7.5121 7.6851 7.6851 7.6851 7.6851 k = 0.5000 0.3541 0.0000 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6519 -5.6519 -5.6519 -5.6519 -3.4960 -3.4960 -3.4960 -3.4960 -0.4898 -0.4898 -0.4898 -0.4898 2.9792 2.9792 2.9792 2.9792 3.0389 3.0389 3.0389 3.0389 3.6569 3.6569 3.6569 3.6569 4.3897 4.3897 4.3897 4.3897 4.7358 4.7358 4.7358 4.7358 7.5121 7.5121 7.5121 7.5121 7.6851 7.6851 7.6851 7.6851 k = 0.4919 0.3656 0.0141 ( 11222 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6512 -5.6512 -5.6509 -5.6509 -3.5005 -3.5005 -3.4959 -3.4957 -0.4897 -0.4894 -0.4843 -0.4842 2.9616 2.9689 2.9752 2.9759 3.0371 3.0373 3.0462 3.0529 3.6508 3.6517 3.6569 3.6577 4.3850 4.3854 4.3948 4.3956 4.7319 4.7325 4.7377 4.7382 7.5100 7.5108 7.5182 7.5184 7.6916 7.6917 7.6923 7.6936 k = 0.4837 0.3771 0.0282 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6489 -5.6489 -5.6479 -5.6478 -3.5139 -3.5139 -3.4952 -3.4949 -0.4890 -0.4883 -0.4677 -0.4676 2.9304 2.9402 2.9636 2.9648 3.0323 3.0326 3.0652 3.0737 3.6342 3.6360 3.6570 3.6589 4.3718 4.3726 4.4099 4.4115 4.7210 4.7220 4.7437 4.7447 7.5059 7.5073 7.5367 7.5372 7.7115 7.7115 7.7137 7.7163 k = 0.4756 0.3886 0.0423 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6452 -5.6452 -5.6428 -5.6428 -3.5358 -3.5358 -3.4941 -3.4937 -0.4878 -0.4867 -0.4404 -0.4404 2.8925 2.9034 2.9448 2.9465 3.0243 3.0249 3.0861 3.0949 3.6082 3.6107 3.6572 3.6602 4.3503 4.3514 4.4339 4.4362 4.7031 4.7047 4.7538 4.7553 7.5020 7.5038 7.5675 7.5682 7.7442 7.7443 7.7470 7.7504 k = 0.4674 0.4001 0.0564 ( 11250 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6400 -5.6400 -5.6357 -5.6356 -3.5657 -3.5657 -3.4925 -3.4920 -0.4861 -0.4846 -0.4031 -0.4031 2.8497 2.8612 2.9194 2.9215 3.0133 3.0142 3.1068 3.1157 3.5745 3.5775 3.6572 3.6614 4.3208 4.3222 4.4652 4.4679 4.6789 4.6810 4.7681 4.7701 7.5001 7.5019 7.6101 7.6111 7.7884 7.7894 7.7907 7.7937 k = 0.4593 0.4116 0.0705 ( 11262 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6334 -5.6334 -5.6266 -5.6265 -3.6029 -3.6029 -3.4905 -3.4898 -0.4839 -0.4821 -0.3565 -0.3564 2.8026 2.8147 2.8881 2.8905 2.9990 3.0003 3.1272 3.1361 3.5347 3.5380 3.6568 3.6624 4.2840 4.2857 4.5020 4.5050 4.6489 4.6514 4.7863 4.7888 7.5010 7.5028 7.6641 7.6653 7.8394 7.8442 7.8467 7.8471 k = 0.4511 0.4231 0.0846 ( 11266 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6255 -5.6254 -5.6155 -5.6154 -3.6465 -3.6465 -3.4880 -3.4873 -0.4813 -0.4791 -0.3014 -0.3013 2.7519 2.7646 2.8515 2.8542 2.9814 2.9832 3.1475 3.1564 3.4901 3.4935 3.6560 3.6630 4.2405 4.2425 4.5425 4.5454 4.6140 4.6167 4.8082 4.8113 7.5051 7.5068 7.7289 7.7303 7.8961 7.9015 7.9147 7.9152 k = 0.4430 0.4346 0.0986 ( 11268 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6162 -5.6162 -5.6024 -5.6022 -3.6957 -3.6957 -3.4852 -3.4843 -0.4784 -0.4759 -0.2389 -0.2388 2.6983 2.7115 2.8106 2.8135 2.9603 2.9626 3.1679 3.1767 3.4420 3.4453 3.6552 3.6636 4.1909 4.1933 4.5685 4.5726 4.5907 4.5944 4.8336 4.8371 7.5125 7.5141 7.8039 7.8055 7.9582 7.9639 7.9931 7.9937 k = 0.4348 0.4461 0.1127 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6058 -5.6058 -5.5873 -5.5871 -3.7497 -3.7496 -3.4820 -3.4810 -0.4753 -0.4725 -0.1698 -0.1697 2.6426 2.6562 2.7663 2.7693 2.9353 2.9382 3.1885 3.1972 3.3912 3.3943 3.6546 3.6645 4.1362 4.1388 4.5277 4.5323 4.6328 4.6366 4.8619 4.8659 7.5231 7.5246 7.8884 7.8902 8.0248 8.0308 8.0811 8.0816 k = 0.4267 0.4576 0.1268 ( 11262 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5943 -5.5942 -5.5702 -5.5700 -3.8074 -3.8074 -3.4784 -3.4773 -0.4722 -0.4690 -0.0952 -0.0951 2.5855 2.5995 2.7195 2.7225 2.9064 2.9098 3.2094 3.2179 3.3387 3.3415 3.6549 3.6662 4.0769 4.0797 4.4809 4.4859 4.6787 4.6824 4.8927 4.8971 7.5367 7.5381 7.9817 7.9837 8.0950 8.1013 8.1777 8.1783 k = 0.4186 0.4691 0.1409 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5818 -5.5818 -5.5511 -5.5509 -3.8681 -3.8680 -3.4745 -3.4733 -0.4691 -0.4656 -0.0162 -0.0161 2.5275 2.5419 2.6709 2.6741 2.8734 2.8773 3.2301 3.2387 3.2855 3.2877 3.6567 3.6692 4.0137 4.0168 4.4317 4.4372 4.7250 4.7286 4.9254 4.9301 7.5533 7.5545 8.0831 8.0851 8.1684 8.1748 8.2823 8.2828 k = 0.4104 0.4806 0.1550 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5686 -5.5686 -5.5301 -5.5299 -3.9309 -3.9308 -3.4703 -3.4690 -0.4663 -0.4624 0.0663 0.0664 2.4695 2.4841 2.6217 2.6249 2.8364 2.8406 3.2273 3.2316 3.2554 3.2611 3.6604 3.6738 3.9474 3.9507 4.3810 4.3870 4.7710 4.7744 4.9594 4.9645 7.5725 7.5736 8.1917 8.1938 8.2444 8.2510 8.3939 8.3944 k = 0.4023 0.4921 0.1691 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5549 -5.5548 -5.5072 -5.5069 -3.9950 -3.9949 -3.4659 -3.4645 -0.4639 -0.4596 0.1512 0.1514 2.4119 2.4268 2.5726 2.5757 2.7954 2.7999 3.1747 3.1774 3.2750 3.2814 3.6664 3.6804 3.8785 3.8821 4.3299 4.3365 4.8160 4.8193 4.9942 4.9995 7.5942 7.5952 8.3067 8.3088 8.3227 8.3295 8.5117 8.5123 k = 0.3941 0.5036 0.1832 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5408 -5.5408 -5.4824 -5.4821 -4.0597 -4.0596 -3.4614 -3.4598 -0.4621 -0.4575 0.2375 0.2376 2.3553 2.3705 2.5246 2.5277 2.7509 2.7554 3.1209 3.1232 3.2956 3.3015 3.6748 3.6891 3.8076 3.8114 4.2795 4.2866 4.8598 4.8630 5.0293 5.0347 7.6183 7.6191 8.4022 8.4083 8.4281 8.4310 8.6351 8.6357 k = 0.3860 0.5151 0.1973 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5268 -5.5268 -5.4556 -5.4553 -4.1241 -4.1240 -3.4566 -3.4549 -0.4611 -0.4562 0.3240 0.3240 2.3004 2.3157 2.4787 2.4818 2.7031 2.7077 3.0679 3.0698 3.3153 3.3202 3.6857 3.6997 3.7353 3.7396 4.2312 4.2388 4.9020 4.9050 5.0640 5.0696 7.6446 7.6453 8.4839 8.4902 8.5539 8.5566 8.7630 8.7637 k = 0.3778 0.5266 0.2114 ( 11234 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5133 -5.5132 -5.4271 -5.4267 -4.1874 -4.1873 -3.4518 -3.4500 -0.4611 -0.4559 0.4094 0.4094 2.2477 2.2631 2.4359 2.4390 2.6525 2.6570 3.0162 3.0178 3.3331 3.3367 3.6619 3.6656 3.6992 3.7133 4.1864 4.1943 4.9421 4.9449 5.0979 5.1036 7.6730 7.6735 8.5669 8.5732 8.6838 8.6865 8.8946 8.8953 k = 0.3697 0.5381 0.2255 ( 11238 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5006 -5.5006 -5.3966 -5.3963 -4.2489 -4.2487 -3.4469 -3.4450 -0.4623 -0.4569 0.4923 0.4924 2.1975 2.2130 2.3975 2.4006 2.5997 2.6040 2.9663 2.9675 3.3475 3.3496 3.5880 3.5922 3.7149 3.7275 4.1470 4.1551 4.9799 4.9825 5.1306 5.1362 7.7033 7.7037 8.6514 8.6576 8.8167 8.8194 9.0288 9.0295 k = 0.3615 0.5496 0.2396 ( 11234 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4895 -5.4895 -5.3644 -5.3641 -4.3076 -4.3073 -3.4420 -3.4401 -0.4651 -0.4594 0.5713 0.5715 2.1504 2.1659 2.3646 2.3677 2.5450 2.5491 2.9186 2.9196 3.3570 3.3574 3.5140 3.5184 3.7329 3.7435 4.1151 4.1228 5.0149 5.0173 5.1615 5.1671 7.7354 7.7357 8.7370 8.7430 8.9516 8.9543 9.1639 9.1647 k = 0.3534 0.5611 0.2537 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4806 -5.4806 -5.3305 -5.3301 -4.3625 -4.3622 -3.4372 -3.4351 -0.4696 -0.4637 0.6447 0.6450 2.1068 2.1223 2.3385 2.3417 2.4891 2.4928 2.8737 2.8743 3.3584 3.3598 3.4403 3.4450 3.7534 3.7611 4.0926 4.0993 5.0470 5.0492 5.1902 5.1958 7.7692 7.7694 8.8236 8.8294 9.0869 9.0896 9.2982 9.2991 k = 0.3453 0.5726 0.2678 ( 11254 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4747 -5.4747 -5.2947 -5.2943 -4.4126 -4.4123 -3.4325 -3.4303 -0.4760 -0.4699 0.7109 0.7113 2.0672 2.0825 2.3205 2.3239 2.4324 2.4357 2.8319 2.8324 3.3511 3.3534 3.3673 3.3730 3.7764 3.7806 4.0810 4.0860 5.0757 5.0776 5.2164 5.2219 7.8047 7.8048 8.9108 8.9165 9.2210 9.2237 9.4288 9.4296 k = 0.3371 0.5841 0.2818 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4728 -5.4727 -5.2573 -5.2569 -4.4569 -4.4566 -3.4279 -3.4256 -0.4846 -0.4784 0.7680 0.7687 2.0317 2.0468 2.3115 2.3153 2.3753 2.3783 2.7941 2.7944 3.2955 3.2996 3.3347 3.3400 3.8023 3.8028 4.0808 4.0834 5.1006 5.1023 5.2395 5.2449 7.8416 7.8417 8.9981 9.0036 9.3518 9.3544 9.5512 9.5521 k = 0.3290 0.5956 0.2959 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4756 -5.4755 -5.2183 -5.2178 -4.4944 -4.4941 -3.4235 -3.4212 -0.4956 -0.4893 0.8147 0.8156 2.0007 2.0155 2.3106 2.3156 2.3193 2.3225 2.7610 2.7611 3.2253 3.2298 3.3092 3.3152 3.8284 3.8314 4.0912 4.0912 5.1215 5.1228 5.2593 5.2646 7.8800 7.8802 9.0847 9.0900 9.4767 9.4792 9.6591 9.6600 k = 0.3208 0.6071 0.3100 ( 11238 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4839 -5.4839 -5.1776 -5.1771 -4.5241 -4.5237 -3.4194 -3.4170 -0.5091 -0.5027 0.8500 0.8511 1.9744 1.9886 2.2621 2.2633 2.3225 2.3267 2.7337 2.7338 3.1577 3.1622 3.2757 3.2819 3.8578 3.8639 4.1084 4.1110 5.1379 5.1389 5.2754 5.2804 7.9198 7.9200 9.1694 9.1744 9.5927 9.5951 9.7442 9.7449 k = 0.3127 0.6186 0.3241 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4984 -5.4983 -5.1353 -5.1348 -4.5455 -4.5450 -3.4155 -3.4131 -0.5252 -0.5188 0.8734 0.8749 1.9528 1.9662 2.2071 2.2075 2.3392 2.3442 2.7139 2.7139 3.0937 3.0982 3.2354 3.2417 3.8910 3.8996 4.1335 4.1386 5.1494 5.1501 5.2873 5.2922 7.9608 7.9612 9.2500 9.2547 9.6971 9.6994 9.7984 9.7988 k = 0.3127 0.6186 0.3241 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4984 -5.4983 -5.1353 -5.1348 -4.5455 -4.5450 -3.4155 -3.4131 -0.5252 -0.5188 0.8734 0.8749 1.9528 1.9662 2.2071 2.2075 2.3392 2.3442 2.7139 2.7139 3.0937 3.0982 3.2354 3.2417 3.8910 3.8996 4.1335 4.1386 5.1494 5.1501 5.2873 5.2922 7.9608 7.9612 9.2500 9.2547 9.6971 9.6994 9.7984 9.7988 k = 0.2953 0.6137 0.3302 ( 11250 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5095 -5.5094 -5.1146 -5.1141 -4.5496 -4.5491 -3.4146 -3.4122 -0.5340 -0.5277 0.8795 0.8811 1.9443 1.9572 2.1778 2.1781 2.3495 2.3547 2.7124 2.7139 3.0612 3.0655 3.2275 3.2333 3.9048 3.9141 4.1462 4.1520 5.1238 5.1261 5.3162 5.3205 7.9832 7.9837 9.2850 9.2895 9.7189 9.7215 9.8261 9.8280 k = 0.2779 0.6088 0.3362 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5259 -5.5257 -5.0921 -5.0915 -4.5466 -4.5461 -3.4153 -3.4128 -0.5454 -0.5391 0.8830 0.8849 1.9362 1.9489 2.1385 2.1390 2.3614 2.3668 2.7210 2.7241 3.0225 3.0268 3.2350 3.2401 3.9164 3.9259 4.1598 4.1657 5.0702 5.0733 5.3650 5.3684 8.0147 8.0154 9.3228 9.3271 9.7170 9.7195 9.8663 9.8690 k = 0.2606 0.6038 0.3422 ( 11247 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5451 -5.5450 -5.0709 -5.0704 -4.5358 -4.5352 -3.4176 -3.4151 -0.5592 -0.5530 0.8846 0.8867 1.9295 1.9421 2.0929 2.0940 2.3712 2.3768 2.7364 2.7409 2.9862 2.9906 3.2513 3.2558 3.9254 3.9347 4.1745 4.1800 5.0090 5.0125 5.4120 5.4146 8.0552 8.0560 9.3625 9.3665 9.7091 9.7113 9.9071 9.9100 k = 0.2432 0.5989 0.3482 ( 11243 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5656 -5.5655 -5.0533 -5.0528 -4.5167 -4.5159 -3.4218 -3.4193 -0.5752 -0.5691 0.8849 0.8873 1.9239 1.9369 2.0448 2.0469 2.3759 2.3818 2.7546 2.7605 2.9584 2.9631 3.2732 3.2772 3.9312 3.9401 4.1914 4.1961 4.9448 4.9486 5.4516 5.4535 8.1043 8.1054 9.4027 9.4064 9.7016 9.7034 9.9485 9.9513 k = 0.2258 0.5940 0.3543 ( 11239 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5863 -5.5862 -5.0403 -5.0398 -4.4894 -4.4885 -3.4282 -3.4256 -0.5930 -0.5871 0.8845 0.8871 1.9178 1.9320 1.9977 2.0018 2.3735 2.3798 2.7711 2.7780 2.9443 2.9491 3.2993 3.3030 3.9331 3.9415 4.2113 4.2151 4.8794 4.8833 5.4819 5.4831 8.1620 8.1634 9.4412 9.4446 9.6985 9.6998 9.9929 9.9956 k = 0.2085 0.5891 0.3603 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6066 -5.6065 -5.0319 -5.0315 -4.4548 -4.4538 -3.4368 -3.4342 -0.6123 -0.6066 0.8839 0.8866 1.9052 1.9204 1.9599 1.9662 2.3636 2.3702 2.7822 2.7894 2.9473 2.9518 3.3290 3.3324 3.9301 3.9382 4.2354 4.2384 4.8133 4.8174 5.5018 5.5024 8.2277 8.2294 9.4747 9.4778 9.7041 9.7050 10.0425 10.0449 k = 0.1911 0.5842 0.3663 ( 11243 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6260 -5.6259 -5.0276 -5.0271 -4.4140 -4.4129 -3.4478 -3.4453 -0.6326 -0.6272 0.8834 0.8861 1.8777 1.8888 1.9450 1.9493 2.3470 2.3538 2.7873 2.7941 2.9664 2.9701 3.3619 3.3651 3.9219 3.9298 4.2642 4.2671 4.7470 4.7513 5.5108 5.5113 8.3011 8.3032 9.4991 9.5017 9.7224 9.7240 10.0977 10.1000 k = 0.1737 0.5792 0.3723 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6442 -5.6441 -5.0264 -5.0260 -4.3685 -4.3673 -3.4614 -3.4589 -0.6534 -0.6484 0.8832 0.8859 1.8420 1.8498 1.9405 1.9444 2.3257 2.3326 2.7885 2.7946 2.9965 2.9996 3.3978 3.4009 3.9085 3.9165 4.2980 4.3012 4.6810 4.6854 5.5091 5.5100 8.3818 8.3841 9.5125 9.5146 9.7554 9.7584 10.1583 10.1603 k = 0.1563 0.5743 0.3784 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6610 -5.6610 -5.0274 -5.0271 -4.3196 -4.3183 -3.4776 -3.4751 -0.6743 -0.6696 0.8834 0.8860 1.8066 1.8130 1.9376 1.9417 2.3024 2.3092 2.7880 2.7934 3.0331 3.0358 3.4364 3.4392 3.8903 3.8985 4.3369 4.3402 4.6157 4.6204 5.4974 5.4988 8.4690 8.4716 9.5169 9.5186 9.8003 9.8049 10.2226 10.2246 k = 0.1390 0.5694 0.3844 ( 11227 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6763 -5.6763 -5.0299 -5.0296 -4.2686 -4.2673 -3.4965 -3.4940 -0.6946 -0.6904 0.8841 0.8865 1.7747 1.7803 1.9339 1.9377 2.2795 2.2861 2.7865 2.7914 3.0731 3.0759 3.4772 3.4798 3.8681 3.8765 4.3797 4.3827 4.5519 4.5573 5.4766 5.4785 8.5621 8.5650 9.5158 9.5171 9.8511 9.8573 10.2885 10.2905 k = 0.1216 0.5645 0.3904 ( 11231 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6900 -5.6900 -5.0333 -5.0330 -4.2167 -4.2153 -3.5179 -3.5155 -0.7139 -0.7101 0.8850 0.8872 1.7473 1.7524 1.9279 1.9313 2.2593 2.2654 2.7843 2.7886 3.1149 3.1178 3.5197 3.5221 3.8427 3.8511 4.4209 4.4240 4.4936 4.5019 5.4479 5.4502 8.6602 8.6635 9.5120 9.5131 9.9006 9.9084 10.3530 10.3553 k = 0.1042 0.5596 0.3964 ( 11229 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7020 -5.7020 -5.0369 -5.0367 -4.1649 -4.1635 -3.5417 -3.5394 -0.7316 -0.7284 0.8861 0.8880 1.7249 1.7295 1.9190 1.9219 2.2429 2.2484 2.7816 2.7854 3.1570 3.1601 3.5632 3.5652 3.8151 3.8235 4.4121 4.4166 4.4900 4.4998 5.4128 5.4155 8.7624 8.7660 9.5072 9.5081 9.9396 9.9489 10.4137 10.4162 k = 0.0869 0.5547 0.4025 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7122 -5.7122 -5.0405 -5.0403 -4.1144 -4.1130 -3.5674 -3.5652 -0.7474 -0.7446 0.8872 0.8889 1.7075 1.7117 1.9076 1.9099 2.2309 2.2356 2.7786 2.7818 3.1983 3.2015 3.6066 3.6082 3.7865 3.7948 4.3597 4.3628 4.5375 4.5446 5.3732 5.3761 8.8673 8.8712 9.5023 9.5030 9.9570 9.9672 10.4686 10.4715 k = 0.0695 0.5497 0.4085 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7207 -5.7206 -5.0438 -5.0436 -4.0666 -4.0652 -3.5942 -3.5921 -0.7608 -0.7586 0.8883 0.8897 1.6949 1.6986 1.8948 1.8966 2.2230 2.2268 2.7755 2.7782 3.2374 3.2407 3.6480 3.6493 3.7587 3.7669 4.3061 4.3089 4.5879 4.5939 5.3315 5.3345 8.9728 8.9769 9.4978 9.4984 9.9436 9.9538 10.5134 10.5173 k = 0.0521 0.5448 0.4145 ( 11231 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7272 -5.7272 -5.0465 -5.0464 -4.0232 -4.0219 -3.6207 -3.6189 -0.7715 -0.7698 0.8893 0.8903 1.6866 1.6896 1.8820 1.8834 2.2183 2.2212 2.7727 2.7748 3.2727 3.2757 3.6824 3.6841 3.7362 3.7445 4.2576 4.2600 4.6357 4.6406 5.2910 5.2938 9.0756 9.0797 9.4942 9.4946 9.9002 9.9092 10.5216 10.5224 k = 0.0347 0.5399 0.4205 ( 11231 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7319 -5.7319 -5.0486 -5.0485 -3.9869 -3.9858 -3.6444 -3.6431 -0.7793 -0.7782 0.8900 0.8907 1.6818 1.6839 1.8712 1.8722 2.2159 2.2179 2.7706 2.7720 3.3017 3.3041 3.6938 3.6947 3.7368 3.7423 4.2178 4.2196 4.6763 4.6800 5.2558 5.2581 9.1696 9.1733 9.4916 9.4919 9.8401 9.8472 10.5156 10.5159 k = 0.0174 0.5350 0.4266 ( 11225 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7348 -5.7348 -5.0498 -5.0498 -3.9617 -3.9611 -3.6617 -3.6609 -0.7839 -0.7833 0.8905 0.8909 1.6796 1.6807 1.8640 1.8645 2.2150 2.2160 2.7693 2.7700 3.3216 3.3229 3.6846 3.6856 3.7549 3.7569 4.1909 4.1920 4.7048 4.7067 5.2314 5.2328 9.2421 9.2445 9.4901 9.4903 9.7852 9.7894 10.5128 10.5130 k = 0.0000 0.5301 0.4326 ( 11224 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7357 -5.7357 -5.0502 -5.0502 -3.9523 -3.9523 -3.6680 -3.6680 -0.7853 -0.7853 0.8908 0.8908 1.6794 1.6794 1.8616 1.8616 2.2151 2.2151 2.7691 2.7691 3.3291 3.3291 3.6805 3.6805 3.7632 3.7632 4.1817 4.1817 4.7157 4.7157 5.2230 5.2230 9.2719 9.2719 9.4898 9.4898 9.7632 9.7632 10.5121 10.5121 k = 0.0000 0.5301 0.4326 ( 11224 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7357 -5.7357 -5.0502 -5.0502 -3.9523 -3.9523 -3.6680 -3.6680 -0.7853 -0.7853 0.8908 0.8908 1.6794 1.6794 1.8616 1.8616 2.2151 2.2151 2.7691 2.7691 3.3291 3.3291 3.6805 3.6805 3.7632 3.7632 4.1817 4.1817 4.7157 4.7157 5.2230 5.2230 9.2719 9.2719 9.4898 9.4898 9.7632 9.7632 10.5121 10.5121 k = 0.0081 0.5187 0.4465 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7348 -5.7348 -5.0495 -5.0495 -3.9531 -3.9530 -3.6685 -3.6685 -0.7872 -0.7871 0.8824 0.8825 1.6799 1.6800 1.8651 1.8657 2.2174 2.2178 2.7596 2.7599 3.3333 3.3334 3.6876 3.6885 3.7680 3.7681 4.1850 4.1851 4.7151 4.7159 5.2218 5.2218 9.2702 9.2706 9.4914 9.4915 9.7562 9.7563 10.5138 10.5141 k = 0.0161 0.5073 0.4605 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7320 -5.7320 -5.0475 -5.0475 -3.9553 -3.9553 -3.6701 -3.6700 -0.7928 -0.7925 0.8582 0.8584 1.6800 1.6802 1.8759 1.8771 2.2257 2.2264 2.7328 2.7334 3.3456 3.3457 3.7087 3.7105 3.7825 3.7828 4.1952 4.1954 4.7140 4.7157 5.2182 5.2182 9.2658 9.2665 9.4962 9.4965 9.7362 9.7363 10.5180 10.5185 k = 0.0242 0.4959 0.4745 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7275 -5.7274 -5.0441 -5.0441 -3.9592 -3.9590 -3.6729 -3.6727 -0.8018 -0.8014 0.8206 0.8208 1.6757 1.6761 1.8936 1.8953 2.2426 2.2436 2.6918 2.6925 3.3649 3.3651 3.7407 3.7433 3.8065 3.8071 4.2124 4.2126 4.7126 4.7153 5.2121 5.2122 9.2591 9.2601 9.5040 9.5043 9.7055 9.7058 10.5221 10.5227 k = 0.0323 0.4845 0.4884 ( 11220 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7211 -5.7210 -5.0395 -5.0394 -3.9645 -3.9643 -3.6767 -3.6764 -0.8139 -0.8134 0.7727 0.7730 1.6628 1.6633 1.9173 1.9195 2.2705 2.2720 2.6407 2.6414 3.3901 3.3901 3.7798 3.7830 3.8399 3.8408 4.2367 4.2367 4.7110 4.7147 5.2037 5.2037 9.2509 9.2522 9.5143 9.5147 9.6671 9.6677 10.5233 10.5239 k = 0.0403 0.4731 0.5024 ( 11212 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7129 -5.7128 -5.0335 -5.0334 -3.9714 -3.9712 -3.6816 -3.6813 -0.8287 -0.8280 0.7173 0.7176 1.6390 1.6396 1.9454 1.9480 2.3105 2.3125 2.5837 2.5843 3.4197 3.4199 3.8226 3.8261 3.8822 3.8834 4.2674 4.2678 4.7096 4.7145 5.1929 5.1929 9.2421 9.2436 9.5268 9.5273 9.6239 9.6249 10.5196 10.5201 k = 0.0484 0.4617 0.5163 ( 11212 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.7029 -5.7028 -5.0262 -5.0261 -3.9798 -3.9795 -3.6876 -3.6873 -0.8455 -0.8447 0.6569 0.6572 1.6044 1.6051 1.9754 1.9784 2.3617 2.3641 2.5253 2.5257 3.4529 3.4534 3.8663 3.8701 3.9325 3.9341 4.3041 4.3052 4.7089 4.7152 5.1796 5.1797 9.2335 9.2352 9.5412 9.5418 9.5785 9.5799 10.5097 10.5101 k = 0.0565 0.4504 0.5303 ( 11220 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6911 -5.6910 -5.0178 -5.0177 -3.9897 -3.9894 -3.6948 -3.6944 -0.8638 -0.8629 0.5933 0.5936 1.5605 1.5612 2.0033 2.0063 2.4218 2.4247 2.4713 2.4715 3.4891 3.4901 3.9092 3.9133 3.9899 3.9919 4.3452 4.3474 4.7097 4.7177 5.1640 5.1641 9.2257 9.2276 9.5324 9.5344 9.5573 9.5580 10.4930 10.4933 k = 0.0645 0.4390 0.5442 ( 11218 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6775 -5.6774 -5.0082 -5.0081 -4.0012 -4.0009 -3.7032 -3.7027 -0.8829 -0.8820 0.5278 0.5281 1.5096 1.5103 2.0217 2.0245 2.4289 2.4298 2.4887 2.4920 3.5285 3.5299 3.9504 3.9547 4.0530 4.0555 4.3887 4.3922 4.7136 4.7234 5.1461 5.1462 9.2197 9.2217 9.4874 9.4900 9.5748 9.5756 10.4688 10.4690 k = 0.0726 0.4276 0.5582 ( 11218 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6623 -5.6621 -4.9976 -4.9975 -4.0142 -4.0138 -3.7127 -3.7122 -0.9024 -0.9014 0.4615 0.4619 1.4538 1.4544 2.0213 2.0234 2.4088 2.4109 2.5593 2.5631 3.5710 3.5729 3.9896 3.9941 4.1205 4.1235 4.4314 4.4362 4.7224 4.7342 5.1260 5.1262 9.2159 9.2180 9.4445 9.4476 9.5937 9.5946 10.4371 10.4373 k = 0.0806 0.4162 0.5721 ( 11212 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6453 -5.6451 -4.9860 -4.9858 -4.0286 -4.0282 -3.7235 -3.7229 -0.9216 -0.9206 0.3951 0.3955 1.3949 1.3955 1.9959 1.9972 2.4170 2.4205 2.6321 2.6363 3.6170 3.6195 4.0266 4.0314 4.1911 4.1946 4.4700 4.4758 4.7392 4.7526 5.1038 5.1041 9.2148 9.2170 9.4042 9.4081 9.6139 9.6148 10.3983 10.3984 k = 0.0887 0.4048 0.5861 ( 11220 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6266 -5.6264 -4.9735 -4.9734 -4.0445 -4.0440 -3.7355 -3.7349 -0.9400 -0.9389 0.3291 0.3295 1.3345 1.3349 1.9490 1.9497 2.4501 2.4548 2.7054 2.7100 3.6668 3.6699 4.0614 4.0667 4.2634 4.2676 4.5017 4.5074 4.7662 4.7805 5.0797 5.0803 9.2169 9.2191 9.3672 9.3718 9.6352 9.6361 10.3534 10.3534 k = 0.0968 0.3934 0.6000 ( 11224 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6063 -5.6061 -4.9603 -4.9602 -4.0616 -4.0611 -3.7488 -3.7482 -0.9570 -0.9559 0.2640 0.2644 1.2737 1.2740 1.8887 1.8890 2.5001 2.5056 2.7778 2.7829 3.7207 3.7242 4.0935 4.0995 4.3361 4.3410 4.5259 4.5303 4.8038 4.8179 5.0542 5.0552 9.2224 9.2244 9.3336 9.3389 9.6574 9.6583 10.3037 10.3038 k = 0.1048 0.3820 0.6140 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5844 -5.5842 -4.9466 -4.9464 -4.0799 -4.0794 -3.7634 -3.7627 -0.9723 -0.9712 0.1999 0.2003 1.2135 1.2137 1.8211 1.8213 2.5605 2.5667 2.8486 2.8541 3.7785 3.7825 4.1223 4.1292 4.4077 4.4135 4.5446 4.5469 4.8495 4.8627 5.0278 5.0293 9.2312 9.2331 9.3035 9.3096 9.6805 9.6813 10.2508 10.2510 k = 0.1129 0.3706 0.6280 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5609 -5.5607 -4.9325 -4.9323 -4.0992 -4.0986 -3.7792 -3.7784 -0.9854 -0.9843 0.1369 0.1375 1.1549 1.1550 1.7500 1.7502 2.6275 2.6342 2.9171 2.9229 3.8400 3.8446 4.1467 4.1547 4.4767 4.4836 4.5609 4.5612 4.9000 4.9118 5.0013 5.0039 9.2430 9.2447 9.2768 9.2838 9.7041 9.7048 10.1963 10.1967 k = 0.1210 0.3592 0.6419 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5360 -5.5357 -4.9183 -4.9181 -4.1192 -4.1186 -3.7963 -3.7955 -0.9961 -0.9950 0.0753 0.0759 1.0985 1.0985 1.6776 1.6777 2.6986 2.7058 2.9828 2.9890 3.9048 3.9098 4.1654 4.1747 4.5407 4.5487 4.5766 4.5792 4.9520 4.9603 4.9766 4.9827 9.2532 9.2568 9.2574 9.2630 9.7284 9.7288 10.1416 10.1421 k = 0.1290 0.3479 0.6559 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5095 -5.5093 -4.9043 -4.9041 -4.1397 -4.1390 -3.8146 -3.8138 -1.0040 -1.0029 0.0150 0.0156 1.0449 1.0450 1.6051 1.6053 2.7725 2.7801 3.0455 3.0520 3.9718 3.9771 4.1774 4.1878 4.5921 4.5936 4.6046 4.6109 4.9553 4.9591 5.0040 5.0154 9.2324 9.2405 9.2731 9.2746 9.7532 9.7532 10.0879 10.0886 k = 0.1371 0.3365 0.6698 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4818 -5.4815 -4.8909 -4.8906 -4.1603 -4.1596 -3.8341 -3.8333 -1.0089 -1.0078 -0.0441 -0.0434 0.9948 0.9950 1.5335 1.5337 2.8481 2.8560 3.1055 3.1122 4.0396 4.0451 4.1820 4.1933 4.6176 4.6245 4.6457 4.6577 4.9430 4.9493 5.0535 5.0636 9.2139 9.2229 9.2887 9.2897 9.7783 9.7788 10.0361 10.0370 k = 0.1452 0.3251 0.6838 ( 11228 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4527 -5.4524 -4.8784 -4.8781 -4.1804 -4.1797 -3.8548 -3.8539 -1.0107 -1.0096 -0.1019 -0.1012 0.9486 0.9490 1.4632 1.4635 2.9247 2.9329 3.1627 3.1697 4.1061 4.1117 4.1793 4.1912 4.6482 4.6568 4.6758 4.6896 4.9447 4.9527 5.0998 5.1091 9.1972 9.2069 9.3019 9.3024 9.8048 9.8061 9.9871 9.9882 k = 0.1532 0.3137 0.6977 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4223 -5.4221 -4.8674 -4.8672 -4.1996 -4.1989 -3.8766 -3.8757 -1.0092 -1.0081 -0.1585 -0.1577 0.9069 0.9073 1.3948 1.3952 3.0018 3.0102 3.2176 3.2247 4.1674 4.1682 4.1752 4.1827 4.6842 4.6904 4.6946 4.7051 4.9630 4.9714 5.1421 5.1508 9.1817 9.1921 9.3104 9.3105 9.8343 9.8365 9.9417 9.9430 k = 0.1613 0.3023 0.7117 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3909 -5.3906 -4.8585 -4.8583 -4.2173 -4.2164 -3.8994 -3.8985 -1.0044 -1.0033 -0.2140 -0.2131 0.8698 0.8704 1.3286 1.3290 3.0789 3.0875 3.2703 3.2775 4.1541 4.1659 4.2223 4.2266 4.6983 4.7107 4.7253 4.7353 4.9938 5.0016 5.1795 5.1877 9.1671 9.1781 9.3118 9.3120 9.8686 9.8716 9.9007 9.9023 k = 0.1694 0.2909 0.7256 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3584 -5.3581 -4.8524 -4.8521 -4.2326 -4.2318 -3.9232 -3.9222 -0.9963 -0.9951 -0.2683 -0.2674 0.8378 0.8384 1.2649 1.2654 3.1556 3.1644 3.3212 3.3285 4.1338 4.1455 4.2615 4.2643 4.7085 4.7186 4.7692 4.7796 5.0301 5.0371 5.2117 5.2194 9.1529 9.1643 9.3050 9.3054 9.8636 9.8654 9.9104 9.9146 k = 0.1774 0.2795 0.7396 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3250 -5.3247 -4.8496 -4.8494 -4.2449 -4.2441 -3.9477 -3.9468 -0.9847 -0.9836 -0.3216 -0.3207 0.8111 0.8118 1.2040 1.2045 3.2318 3.2407 3.3705 3.3780 4.1095 4.1210 4.2812 4.2819 4.7302 4.7373 4.8153 4.8258 5.0669 5.0732 5.2380 5.2454 9.1390 9.1507 9.2905 9.2908 9.8325 9.8345 9.9593 9.9646 k = 0.1855 0.2681 0.7535 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2907 -5.2904 -4.8509 -4.8506 -4.2536 -4.2527 -3.9730 -3.9721 -0.9698 -0.9687 -0.3737 -0.3728 0.7897 0.7905 1.1461 1.1466 3.3071 3.3161 3.4186 3.4261 4.0819 4.0930 4.2780 4.2797 4.7663 4.7704 4.8625 4.8729 5.1010 5.1069 5.2583 5.2653 9.1256 9.1373 9.2696 9.2697 9.8069 9.8090 10.0145 10.0213 k = 0.1935 0.2568 0.7675 ( 11252 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2559 -5.2556 -4.8565 -4.8562 -4.2581 -4.2571 -3.9988 -3.9978 -0.9517 -0.9505 -0.4248 -0.4238 0.7739 0.7748 1.0914 1.0920 3.3814 3.3903 3.4655 3.4732 4.0517 4.0625 4.2562 4.2598 4.8142 4.8160 4.9096 4.9198 5.1308 5.1364 5.2720 5.2788 9.1128 9.1244 9.2441 9.2447 9.7872 9.7894 10.0648 10.0737 k = 0.2016 0.2454 0.7815 ( 11250 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2205 -5.2202 -4.8668 -4.8665 -4.2580 -4.2571 -4.0249 -4.0240 -0.9303 -0.9292 -0.4746 -0.4736 0.7637 0.7646 1.0401 1.0408 3.4543 3.4632 3.5116 3.5192 4.0193 4.0299 4.2213 4.2264 4.8692 4.8692 4.9557 4.9656 5.1550 5.1605 5.2791 5.2855 9.1010 9.1124 9.2163 9.2176 9.7736 9.7759 10.0654 10.0695 k = 0.2097 0.2340 0.7954 ( 11258 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1849 -5.1846 -4.8817 -4.8815 -4.2535 -4.2526 -4.0512 -4.0503 -0.9058 -0.9047 -0.5232 -0.5221 0.7590 0.7599 0.9925 0.9932 3.5253 3.5343 3.5571 3.5646 3.9855 3.9958 4.1776 4.1838 4.9256 4.9270 4.9997 5.0093 5.1730 5.1786 5.2792 5.2854 9.0910 9.1019 9.1884 9.1904 9.7664 9.7687 10.0291 10.0304 k = 0.2177 0.2226 0.8094 ( 11258 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1492 -5.1489 -4.9010 -4.9007 -4.2447 -4.2438 -4.0775 -4.0765 -0.8784 -0.8773 -0.5703 -0.5692 0.7599 0.7608 0.9487 0.9495 3.5913 3.6008 3.6044 3.6113 3.9510 3.9611 4.1277 4.1348 4.9822 4.9845 5.0408 5.0500 5.1844 5.1902 5.2724 5.2783 9.0834 9.0936 9.1618 9.1647 9.7657 9.7680 9.9851 9.9854 k = 0.2258 0.2112 0.8233 ( 11258 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1136 -5.1133 -4.9242 -4.9239 -4.2320 -4.2311 -4.1034 -4.1024 -0.8482 -0.8470 -0.6159 -0.6148 0.7661 0.7670 0.9090 0.9098 3.6405 3.6494 3.6641 3.6713 3.9171 3.9270 4.0738 4.0815 5.0366 5.0396 5.0783 5.0870 5.1889 5.1951 5.2585 5.2641 9.0787 9.0882 9.1378 9.1416 9.7717 9.7739 9.9405 9.9409 k = 0.2339 0.1998 0.8373 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0786 -5.0783 -4.9507 -4.9504 -4.2160 -4.2150 -4.1287 -4.1277 -0.8152 -0.8141 -0.6598 -0.6587 0.7776 0.7786 0.8735 0.8743 3.6822 3.6911 3.7224 3.7291 3.8879 3.8978 4.0173 4.0258 5.0872 5.0908 5.1113 5.1195 5.1867 5.1932 5.2377 5.2430 9.0776 9.0863 9.1173 9.1222 9.7844 9.7864 9.8986 9.8995 k = 0.2419 0.1884 0.8512 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0443 -5.0440 -4.9799 -4.9796 -4.1971 -4.1961 -4.1530 -4.1520 -0.7797 -0.7786 -0.7019 -0.7007 0.7943 0.7952 0.8424 0.8433 3.7198 3.7293 3.7599 3.7653 3.8779 3.8876 3.9605 3.9699 5.1318 5.1360 5.1397 5.1473 5.1780 5.1849 5.2102 5.2153 9.0804 9.0882 9.1012 9.1070 9.8037 9.8054 9.8613 9.8625 k = 0.2500 0.1770 0.8652 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0114 -5.0114 -5.0111 -5.0105 -4.1769 -4.1750 -4.1749 -4.1749 -0.7421 -0.7421 -0.7417 -0.7394 0.8152 0.8167 0.8167 0.8170 3.7432 3.7581 3.7613 3.7613 3.9066 3.9098 3.9098 3.9257 5.1556 5.1602 5.1602 5.1699 5.1770 5.1793 5.1793 5.1865 9.0851 9.0920 9.0920 9.0987 9.8285 9.8303 9.8303 9.8315 k = 0.2500 0.1770 0.8652 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0114 -5.0114 -5.0111 -5.0105 -4.1769 -4.1750 -4.1749 -4.1749 -0.7421 -0.7421 -0.7417 -0.7394 0.8152 0.8167 0.8167 0.8170 3.7432 3.7581 3.7613 3.7613 3.9066 3.9098 3.9098 3.9257 5.1556 5.1602 5.1602 5.1699 5.1770 5.1793 5.1793 5.1865 9.0851 9.0920 9.0920 9.0987 9.8285 9.8303 9.8303 9.8315 k = 0.2632 0.1864 0.8538 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0293 -5.0290 -4.9939 -4.9936 -4.1882 -4.1873 -4.1628 -4.1619 -0.7654 -0.7644 -0.7199 -0.7187 0.8075 0.8083 0.8322 0.8330 3.7090 3.7180 3.7226 3.7232 3.9040 3.9112 3.9858 3.9918 5.1423 5.1437 5.1634 5.1675 5.1736 5.1762 5.1979 5.2007 9.0780 9.0853 9.0942 9.1004 9.8147 9.8162 9.8460 9.8471 k = 0.2763 0.1957 0.8423 ( 11254 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0459 -5.0456 -4.9790 -4.9787 -4.1994 -4.1985 -4.1496 -4.1487 -0.7902 -0.7891 -0.6990 -0.6979 0.8094 0.8102 0.8531 0.8537 3.6355 3.6389 3.6531 3.6550 3.9278 3.9326 4.0943 4.0974 5.1202 5.1203 5.1639 5.1664 5.1736 5.1786 5.2166 5.2182 9.0607 9.0683 9.0973 9.1028 9.8041 9.8056 9.8620 9.8628 k = 0.2895 0.2050 0.8309 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0610 -5.0607 -4.9666 -4.9664 -4.2096 -4.2087 -4.1367 -4.1359 -0.8151 -0.8140 -0.6794 -0.6784 0.8209 0.8216 0.8784 0.8789 3.5504 3.5524 3.5748 3.5759 3.9603 3.9635 4.2009 4.2026 5.0986 5.0992 5.1617 5.1635 5.1752 5.1814 5.2333 5.2345 9.0356 9.0434 9.0995 9.1043 9.7977 9.7992 9.8778 9.8784 k = 0.3026 0.2143 0.8195 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0746 -5.0743 -4.9565 -4.9563 -4.2186 -4.2177 -4.1248 -4.1241 -0.8387 -0.8377 -0.6612 -0.6601 0.8409 0.8415 0.9080 0.9085 3.4623 3.4637 3.4920 3.4925 3.9952 3.9975 4.2987 4.2994 5.0793 5.0801 5.1573 5.1586 5.1791 5.1862 5.2478 5.2488 9.0039 9.0117 9.1007 9.1049 9.7957 9.7971 9.8939 9.8944 k = 0.3158 0.2236 0.8081 ( 11256 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0866 -5.0864 -4.9486 -4.9484 -4.2265 -4.2257 -4.1144 -4.1137 -0.8599 -0.8589 -0.6443 -0.6433 0.8683 0.8689 0.9417 0.9421 3.3733 3.3746 3.4073 3.4074 4.0303 4.0319 4.3834 4.3835 5.0626 5.0633 5.1507 5.1517 5.1871 5.1949 5.2598 5.2607 8.9671 8.9747 9.1009 9.1044 9.7981 9.7995 9.9110 9.9116 k = 0.3289 0.2329 0.7967 ( 11262 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0970 -5.0967 -4.9427 -4.9426 -4.2332 -4.2325 -4.1060 -4.1054 -0.8773 -0.8764 -0.6287 -0.6277 0.9022 0.9026 0.9791 0.9794 3.2849 3.2861 3.3220 3.3225 4.0644 4.0654 4.4512 4.4519 5.0481 5.0488 5.1425 5.1431 5.2011 5.2095 5.2691 5.2700 8.9272 8.9345 9.1001 9.1031 9.8050 9.8064 9.9297 9.9305 k = 0.3421 0.2423 0.7853 ( 11259 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1056 -5.1053 -4.9388 -4.9387 -4.2388 -4.2381 -4.1001 -4.0996 -0.8899 -0.8891 -0.6144 -0.6135 0.9413 0.9417 1.0199 1.0201 3.1977 3.1990 3.2374 3.2382 4.0967 4.0973 4.5003 4.5013 5.0358 5.0362 5.1332 5.1335 5.2221 5.2308 5.2757 5.2768 8.8865 8.8934 9.0984 9.1007 9.8164 9.8178 9.9504 9.9513 k = 0.3553 0.2516 0.7738 ( 11266 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1125 -5.1122 -4.9368 -4.9367 -4.2432 -4.2425 -4.0971 -4.0966 -0.8968 -0.8960 -0.6014 -0.6006 0.9847 0.9851 1.0634 1.0636 3.1127 3.1140 3.1544 3.1555 4.1264 4.1266 4.5299 4.5310 5.0254 5.0256 5.1232 5.1233 5.2480 5.2567 5.2810 5.2823 8.8476 8.8541 9.0956 9.0975 9.8322 9.8335 9.9728 9.9741 k = 0.3684 0.2609 0.7624 ( 11272 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1176 -5.1173 -4.9366 -4.9365 -4.2464 -4.2458 -4.0971 -4.0967 -0.8973 -0.8966 -0.5896 -0.5888 1.0314 1.0318 1.1090 1.1091 3.0306 3.0320 3.0740 3.0753 4.1529 4.1530 4.5413 4.5421 5.0168 5.0168 5.1132 5.1135 5.2667 5.2712 5.2960 5.2985 8.8132 8.8191 9.0919 9.0933 9.8520 9.8532 9.9967 9.9983 k = 0.3816 0.2702 0.7510 ( 11268 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1209 -5.1206 -4.9383 -4.9383 -4.2484 -4.2478 -4.1003 -4.0999 -0.8908 -0.8901 -0.5789 -0.5782 1.0802 1.0806 1.1559 1.1559 2.9523 2.9538 2.9968 2.9984 4.1752 4.1757 4.5370 4.5374 5.0099 5.0101 5.1040 5.1045 5.2675 5.2693 5.3244 5.3289 8.7858 8.7912 9.0873 9.0883 9.8754 9.8764 10.0209 10.0229 k = 0.3947 0.2795 0.7396 ( 11255 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1223 -5.1221 -4.9419 -4.9419 -4.2492 -4.2486 -4.1065 -4.1063 -0.8770 -0.8764 -0.5692 -0.5685 1.1302 1.1306 1.2031 1.2032 2.8788 2.8804 2.9239 2.9256 4.1929 4.1938 4.5197 4.5198 5.0051 5.0054 5.0965 5.0972 5.2609 5.2620 5.3526 5.3570 8.7677 8.7725 9.0818 9.0824 9.9017 9.9025 10.0444 10.0466 k = 0.4079 0.2888 0.7282 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1219 -5.1216 -4.9477 -4.9476 -4.2488 -4.2482 -4.1155 -4.1154 -0.8557 -0.8552 -0.5604 -0.5598 1.1802 1.1806 1.2494 1.2496 2.8111 2.8130 2.8561 2.8581 4.2054 4.2067 4.4918 4.4924 5.0023 5.0028 5.0911 5.0920 5.2502 5.2511 5.3737 5.3777 8.7607 8.7648 9.0756 9.0759 9.9302 9.9307 10.0655 10.0680 k = 0.4211 0.2982 0.7168 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1195 -5.1193 -4.9557 -4.9556 -4.2471 -4.2465 -4.1269 -4.1269 -0.8271 -0.8267 -0.5526 -0.5520 1.2289 1.2294 1.2936 1.2939 2.7507 2.7527 2.7945 2.7967 4.2124 4.2140 4.4558 4.4569 5.0017 5.0022 5.0884 5.0894 5.2360 5.2369 5.3846 5.3879 8.7659 8.7695 9.0687 9.0688 9.9597 9.9599 10.0825 10.0852 k = 0.4342 0.3075 0.7053 ( 11252 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1153 -5.1150 -4.9662 -4.9661 -4.2442 -4.2437 -4.1403 -4.1402 -0.7913 -0.7910 -0.5455 -0.5450 1.2752 1.2757 1.3341 1.3345 2.6988 2.7010 2.7402 2.7426 4.2134 4.2154 4.4133 4.4150 5.0032 5.0038 5.0882 5.0894 5.2194 5.2203 5.3832 5.3859 8.7839 8.7869 9.0612 9.0613 9.9885 9.9887 10.0942 10.0969 k = 0.4474 0.3168 0.6939 ( 11250 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1091 -5.1088 -4.9794 -4.9792 -4.2401 -4.2396 -4.1549 -4.1548 -0.7487 -0.7485 -0.5393 -0.5389 1.3177 1.3182 1.3693 1.3697 2.6569 2.6594 2.6944 2.6970 4.2085 4.2109 4.3657 4.3679 5.0068 5.0074 5.0895 5.0908 5.2017 5.2026 5.3687 5.3708 8.8142 8.8166 9.0532 9.0536 10.0148 10.0154 10.0992 10.1018 k = 0.4605 0.3261 0.6825 ( 11255 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1010 -5.1007 -4.9956 -4.9955 -4.2347 -4.2342 -4.1700 -4.1698 -0.6999 -0.6998 -0.5339 -0.5335 1.3551 1.3558 1.3975 1.3981 2.6267 2.6295 2.6583 2.6611 4.1981 4.2008 4.3139 4.3165 5.0124 5.0130 5.0893 5.0909 5.1861 5.1871 5.3414 5.3428 8.8555 8.8574 9.0451 9.0456 10.0364 10.0374 10.0969 10.0994 k = 0.4737 0.3354 0.6711 ( 11238 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0909 -5.0906 -5.0152 -5.0150 -4.2282 -4.2277 -4.1849 -4.1846 -0.6455 -0.6454 -0.5294 -0.5290 1.3865 1.3873 1.4174 1.4181 2.6092 2.6122 2.6328 2.6358 4.1826 4.1857 4.2586 4.2616 5.0195 5.0202 5.0824 5.0839 5.1781 5.1790 5.3020 5.3029 8.9057 8.9072 9.0368 9.0374 10.0503 10.0518 10.0870 10.0894 k = 0.4868 0.3448 0.6597 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0789 -5.0786 -5.0382 -5.0380 -4.2204 -4.2200 -4.1989 -4.1986 -0.5863 -0.5861 -0.5257 -0.5254 1.4112 1.4120 1.4283 1.4291 2.6050 2.6081 2.6187 2.6218 4.1629 4.1663 4.2004 4.2038 5.0272 5.0279 5.0651 5.0663 5.1816 5.1822 5.2527 5.2530 8.9618 8.9629 9.0286 9.0294 10.0534 10.0552 10.0695 10.0717 k = 0.5000 0.3541 0.6483 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0651 -5.0651 -5.0645 -5.0645 -4.2119 -4.2119 -4.2105 -4.2105 -0.5237 -0.5237 -0.5222 -0.5222 1.4278 1.4278 1.4322 1.4322 2.6132 2.6132 2.6197 2.6197 4.1392 4.1392 4.1441 4.1441 5.0287 5.0287 5.0446 5.0446 5.1887 5.1887 5.2025 5.2025 9.0169 9.0169 9.0243 9.0243 10.0412 10.0412 10.0476 10.0476 k = 0.5000 0.3541 0.6483 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0651 -5.0651 -5.0645 -5.0645 -4.2119 -4.2119 -4.2105 -4.2105 -0.5237 -0.5237 -0.5222 -0.5222 1.4278 1.4278 1.4322 1.4322 2.6132 2.6132 2.6197 2.6197 4.1392 4.1392 4.1441 4.1441 5.0287 5.0287 5.0446 5.0446 5.1887 5.1887 5.2025 5.2025 9.0169 9.0169 9.0243 9.0243 10.0412 10.0412 10.0476 10.0476 k = 0.5000 0.3541 0.6286 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0777 -5.0777 -5.0771 -5.0771 -4.2124 -4.2124 -4.2110 -4.2110 -0.4652 -0.4652 -0.4635 -0.4635 1.4389 1.4389 1.4430 1.4430 2.6290 2.6290 2.6356 2.6356 4.0645 4.0645 4.0698 4.0698 5.0051 5.0051 5.0229 5.0229 5.1526 5.1526 5.1681 5.1681 9.0570 9.0570 9.0646 9.0646 9.9886 9.9886 9.9954 9.9954 k = 0.5000 0.3541 0.6090 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0924 -5.0924 -5.0918 -5.0918 -4.2104 -4.2104 -4.2089 -4.2089 -0.4055 -0.4055 -0.4037 -0.4037 1.4515 1.4515 1.4554 1.4554 2.6459 2.6459 2.6527 2.6527 3.9894 3.9894 3.9953 3.9953 4.9798 4.9798 4.9996 4.9996 5.1172 5.1172 5.1346 5.1346 9.0917 9.0917 9.0993 9.0993 9.9184 9.9184 9.9251 9.9251 k = 0.5000 0.3541 0.5893 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1090 -5.1090 -5.1084 -5.1084 -4.2057 -4.2057 -4.2042 -4.2042 -0.3456 -0.3456 -0.3436 -0.3436 1.4658 1.4658 1.4694 1.4694 2.6639 2.6639 2.6709 2.6709 3.9151 3.9151 3.9215 3.9215 4.9531 4.9531 4.9746 4.9746 5.0831 5.0831 5.1020 5.1020 9.1190 9.1190 9.1266 9.1266 9.8363 9.8363 9.8428 9.8428 k = 0.5000 0.3541 0.5697 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1275 -5.1275 -5.1269 -5.1269 -4.1981 -4.1981 -4.1966 -4.1966 -0.2864 -0.2864 -0.2843 -0.2843 1.4822 1.4822 1.4855 1.4855 2.6827 2.6827 2.6899 2.6899 3.8426 3.8426 3.8495 3.8495 4.9250 4.9250 4.9480 4.9480 5.0503 5.0503 5.0707 5.0707 9.1369 9.1369 9.1443 9.1443 9.7471 9.7471 9.7532 9.7532 k = 0.5000 0.3541 0.5500 ( 11240 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1478 -5.1478 -5.1472 -5.1472 -4.1876 -4.1876 -4.1861 -4.1861 -0.2291 -0.2291 -0.2268 -0.2268 1.5011 1.5011 1.5041 1.5041 2.7023 2.7023 2.7098 2.7098 3.7728 3.7728 3.7803 3.7803 4.8958 4.8958 4.9199 4.9199 5.0193 5.0193 5.0405 5.0405 9.1431 9.1431 9.1501 9.1501 9.6550 9.6550 9.6603 9.6603 k = 0.5000 0.3541 0.5304 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1696 -5.1696 -5.1691 -5.1691 -4.1741 -4.1741 -4.1727 -4.1727 -0.1749 -0.1749 -0.1723 -0.1723 1.5230 1.5230 1.5258 1.5258 2.7227 2.7227 2.7305 2.7305 3.7067 3.7067 3.7147 3.7147 4.8658 4.8658 4.8904 4.8904 4.9900 4.9900 5.0116 5.0116 9.1351 9.1351 9.1414 9.1414 9.5637 9.5637 9.5679 9.5679 k = 0.5000 0.3541 0.5107 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.1928 -5.1928 -5.1923 -5.1923 -4.1579 -4.1579 -4.1565 -4.1565 -0.1249 -0.1249 -0.1221 -0.1221 1.5486 1.5486 1.5513 1.5513 2.7437 2.7437 2.7517 2.7517 3.6450 3.6450 3.6536 3.6536 4.8351 4.8351 4.8599 4.8599 4.9624 4.9624 4.9840 4.9840 9.1102 9.1102 9.1151 9.1151 9.4769 9.4769 9.4799 9.4799 k = 0.5000 0.3541 0.4911 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2171 -5.2171 -5.2166 -5.2166 -4.1389 -4.1389 -4.1375 -4.1375 -0.0804 -0.0804 -0.0774 -0.0774 1.5784 1.5784 1.5811 1.5811 2.7651 2.7651 2.7735 2.7735 3.5885 3.5885 3.5977 3.5977 4.8042 4.8042 4.8287 4.8287 4.9363 4.9363 4.9575 4.9575 9.0663 9.0663 9.0695 9.0695 9.3968 9.3968 9.3999 9.3999 k = 0.5000 0.3541 0.4715 ( 11238 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2423 -5.2423 -5.2418 -5.2418 -4.1174 -4.1174 -4.1161 -4.1161 -0.0424 -0.0424 -0.0392 -0.0392 1.6131 1.6131 1.6160 1.6160 2.7868 2.7868 2.7955 2.7955 3.5377 3.5377 3.5474 3.5474 4.7732 4.7732 4.7973 4.7973 4.9117 4.9117 4.9322 4.9322 9.0032 9.0032 9.0053 9.0053 9.3238 9.3238 9.3285 9.3285 k = 0.5000 0.3541 0.4518 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2681 -5.2681 -5.2676 -5.2676 -4.0936 -4.0936 -4.0922 -4.0922 -0.0120 -0.0120 -0.0086 -0.0086 1.6532 1.6532 1.6565 1.6565 2.8087 2.8087 2.8177 2.8177 3.4931 3.4931 3.5033 3.5033 4.7425 4.7425 4.7660 4.7660 4.8884 4.8884 4.9081 4.9081 8.9243 8.9243 8.9267 8.9267 9.2560 9.2560 9.2625 9.2625 k = 0.5000 0.3541 0.4322 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.2942 -5.2942 -5.2938 -5.2938 -4.0676 -4.0676 -4.0663 -4.0663 0.0102 0.0102 0.0138 0.0138 1.6992 1.6992 1.7029 1.7029 2.8306 2.8306 2.8399 2.8399 3.4551 3.4551 3.4657 3.4657 4.7122 4.7122 4.7351 4.7351 4.8664 4.8664 4.8852 4.8852 8.8352 8.8352 8.8384 8.8384 9.1896 9.1896 9.1974 9.1974 k = 0.5000 0.3541 0.4125 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3205 -5.3205 -5.3201 -5.3201 -4.0396 -4.0396 -4.0384 -4.0384 0.0237 0.0237 0.0274 0.0274 1.7512 1.7512 1.7554 1.7554 2.8523 2.8523 2.8619 2.8619 3.4237 3.4237 3.4348 3.4348 4.6825 4.6825 4.7049 4.7049 4.8456 4.8456 4.8635 4.8635 8.7407 8.7407 8.7444 8.7444 9.1215 9.1215 9.1302 9.1302 k = 0.5000 0.3541 0.3929 ( 11228 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3467 -5.3467 -5.3463 -5.3463 -4.0100 -4.0100 -4.0088 -4.0088 0.0285 0.0285 0.0323 0.0323 1.8091 1.8091 1.8138 1.8138 2.8737 2.8737 2.8836 2.8836 3.3992 3.3992 3.4106 3.4106 4.6537 4.6537 4.6755 4.6755 4.8261 4.8261 4.8431 4.8431 8.6439 8.6439 8.6479 8.6479 9.0499 9.0499 9.0590 9.0590 k = 0.5000 0.3541 0.3732 ( 11224 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3726 -5.3726 -5.3722 -5.3722 -3.9789 -3.9789 -3.9777 -3.9777 0.0249 0.0249 0.0287 0.0287 1.8725 1.8725 1.8777 1.8777 2.8946 2.8946 2.9047 2.9047 3.3815 3.3815 3.3931 3.3931 4.6259 4.6259 4.6472 4.6472 4.8078 4.8078 4.8239 4.8239 8.5468 8.5468 8.5509 8.5509 8.9740 8.9740 8.9834 8.9834 k = 0.5000 0.3541 0.3536 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.3981 -5.3981 -5.3977 -5.3977 -3.9466 -3.9466 -3.9454 -3.9454 0.0133 0.0133 0.0171 0.0171 1.9409 1.9409 1.9466 1.9466 2.9149 2.9149 2.9251 2.9251 3.3703 3.3703 3.3821 3.3821 4.5993 4.5993 4.6200 4.6200 4.7909 4.7909 4.8061 4.8061 8.4508 8.4508 8.4550 8.4550 8.8941 8.8941 8.9035 8.9035 k = 0.5000 0.3541 0.3339 ( 11226 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4229 -5.4229 -5.4225 -5.4225 -3.9133 -3.9133 -3.9122 -3.9122 -0.0053 -0.0053 -0.0016 -0.0016 2.0132 2.0132 2.0194 2.0194 2.9344 2.9344 2.9446 2.9446 3.3654 3.3654 3.3773 3.3773 4.5739 4.5739 4.5942 4.5942 4.7754 4.7754 4.7898 4.7898 8.3569 8.3569 8.3610 8.3610 8.8108 8.8108 8.8200 8.8200 k = 0.5000 0.3541 0.3143 ( 11230 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4469 -5.4469 -5.4466 -5.4466 -3.8793 -3.8793 -3.8782 -3.8782 -0.0301 -0.0301 -0.0265 -0.0265 2.0886 2.0886 2.0953 2.0953 2.9531 2.9531 2.9633 2.9633 3.3664 3.3664 3.3782 3.3782 4.5499 4.5499 4.5698 4.5698 4.7614 4.7614 4.7750 4.7750 8.2657 8.2657 8.2698 8.2698 8.7247 8.7247 8.7337 8.7337 k = 0.5000 0.3541 0.2947 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4700 -5.4700 -5.4697 -5.4697 -3.8448 -3.8448 -3.8438 -3.8438 -0.0601 -0.0601 -0.0566 -0.0566 2.1660 2.1660 2.1732 2.1732 2.9708 2.9708 2.9810 2.9810 3.3727 3.3727 3.3844 3.3844 4.5274 4.5274 4.5470 4.5470 4.7490 4.7490 4.7618 4.7618 8.1779 8.1779 8.1818 8.1818 8.6368 8.6368 8.6455 8.6455 k = 0.5000 0.3541 0.2750 ( 11218 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.4921 -5.4921 -5.4918 -5.4918 -3.8102 -3.8102 -3.8092 -3.8092 -0.0941 -0.0941 -0.0908 -0.0908 2.2444 2.2444 2.2520 2.2520 2.9876 2.9876 2.9976 2.9976 3.3839 3.3839 3.3955 3.3955 4.5065 4.5065 4.5257 4.5257 4.7382 4.7382 4.7502 4.7502 8.0939 8.0939 8.0977 8.0977 8.5480 8.5480 8.5563 8.5563 k = 0.5000 0.3541 0.2554 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5131 -5.5131 -5.5128 -5.5128 -3.7758 -3.7758 -3.7748 -3.7748 -0.1311 -0.1311 -0.1280 -0.1280 2.3225 2.3225 2.3307 2.3307 3.0033 3.0033 3.0131 3.0131 3.3993 3.3993 3.4107 3.4107 4.4873 4.4873 4.5061 4.5061 4.7292 4.7292 4.7404 4.7404 8.0142 8.0142 8.0179 8.0179 8.4591 8.4591 8.4670 8.4670 k = 0.5000 0.3541 0.2357 ( 11236 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5328 -5.5328 -5.5325 -5.5325 -3.7418 -3.7418 -3.7409 -3.7409 -0.1701 -0.1701 -0.1672 -0.1672 2.3994 2.3994 2.4080 2.4080 3.0177 3.0177 3.0274 3.0274 3.4183 3.4183 3.4296 3.4296 4.4698 4.4698 4.4882 4.4882 4.7220 4.7220 4.7325 4.7325 7.9393 7.9393 7.9428 7.9428 8.3709 8.3709 8.3784 8.3784 k = 0.5000 0.3541 0.2161 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5512 -5.5512 -5.5510 -5.5510 -3.7086 -3.7086 -3.7078 -3.7078 -0.2101 -0.2101 -0.2074 -0.2074 2.4741 2.4741 2.4831 2.4831 3.0307 3.0307 3.0402 3.0402 3.4403 3.4403 3.4514 3.4514 4.4541 4.4541 4.4720 4.4720 4.7166 4.7166 4.7263 4.7263 7.8694 7.8694 7.8728 7.8728 8.2841 8.2841 8.2913 8.2913 k = 0.5000 0.3541 0.1964 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5682 -5.5682 -5.5680 -5.5680 -3.6766 -3.6766 -3.6758 -3.6758 -0.2501 -0.2501 -0.2477 -0.2477 2.5456 2.5456 2.5550 2.5550 3.0421 3.0421 3.0515 3.0515 3.4645 3.4645 3.4755 3.4755 4.4402 4.4402 4.4575 4.4575 4.7131 4.7131 4.7221 4.7221 7.8051 7.8051 7.8083 7.8083 8.1996 8.1996 8.2064 8.2064 k = 0.5000 0.3541 0.1768 ( 11258 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5838 -5.5838 -5.5836 -5.5836 -3.6461 -3.6461 -3.6453 -3.6453 -0.2893 -0.2893 -0.2871 -0.2871 2.6132 2.6132 2.6229 2.6229 3.0516 3.0516 3.0610 3.0610 3.4903 3.4903 3.5011 3.5011 4.4281 4.4281 4.4446 4.4446 4.7114 4.7114 4.7196 4.7196 7.7465 7.7465 7.7496 7.7496 8.1181 8.1181 8.1245 8.1245 k = 0.5000 0.3541 0.1572 ( 11262 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.5979 -5.5979 -5.5977 -5.5977 -3.6174 -3.6174 -3.6167 -3.6167 -0.3269 -0.3269 -0.3249 -0.3249 2.6762 2.6762 2.6863 2.6863 3.0591 3.0591 3.0684 3.0684 3.5170 3.5170 3.5274 3.5274 4.4178 4.4178 4.4333 4.4333 4.7115 4.7115 4.7189 4.7189 7.6941 7.6941 7.6971 7.6971 8.0405 8.0405 8.0464 8.0464 k = 0.5000 0.3541 0.1375 ( 11266 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6104 -5.6104 -5.6103 -5.6103 -3.5909 -3.5909 -3.5903 -3.5903 -0.3619 -0.3619 -0.3602 -0.3602 2.7344 2.7344 2.7446 2.7446 3.0641 3.0641 3.0735 3.0735 3.5435 3.5435 3.5535 3.5535 4.4093 4.4093 4.4236 4.4236 4.7131 4.7131 4.7197 4.7197 7.6482 7.6482 7.6510 7.6510 7.9675 7.9675 7.9730 7.9730 k = 0.5000 0.3541 0.1179 ( 11270 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6213 -5.6213 -5.6212 -5.6212 -3.5671 -3.5671 -3.5666 -3.5666 -0.3939 -0.3939 -0.3924 -0.3924 2.7872 2.7872 2.7976 2.7976 3.0666 3.0666 3.0759 3.0759 3.5692 3.5692 3.5784 3.5784 4.4023 4.4023 4.4153 4.4153 4.7160 4.7160 4.7218 4.7218 7.6091 7.6091 7.6116 7.6116 7.9002 7.9002 7.9053 7.9053 k = 0.5000 0.3541 0.0982 ( 11258 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6306 -5.6306 -5.6305 -5.6305 -3.5462 -3.5462 -3.5458 -3.5458 -0.4221 -0.4221 -0.4208 -0.4208 2.8347 2.8347 2.8450 2.8450 3.0662 3.0662 3.0755 3.0755 3.5930 3.5930 3.6012 3.6012 4.3970 4.3970 4.4083 4.4083 4.7199 4.7199 4.7247 4.7247 7.5768 7.5768 7.5792 7.5792 7.8397 7.8397 7.8442 7.8442 k = 0.5000 0.3541 0.0786 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6383 -5.6383 -5.6382 -5.6382 -3.5286 -3.5286 -3.5283 -3.5283 -0.4459 -0.4459 -0.4449 -0.4449 2.8767 2.8767 2.8869 2.8869 3.0630 3.0630 3.0722 3.0722 3.6140 3.6140 3.6210 3.6210 4.3931 4.3931 4.4025 4.4025 4.7242 4.7242 4.7281 4.7281 7.5514 7.5514 7.5536 7.5536 7.7871 7.7871 7.7911 7.7911 k = 0.5000 0.3541 0.0589 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6442 -5.6442 -5.6442 -5.6442 -3.5146 -3.5146 -3.5143 -3.5143 -0.4649 -0.4649 -0.4641 -0.4641 2.9132 2.9132 2.9229 2.9229 3.0569 3.0569 3.0659 3.0659 3.6315 3.6315 3.6370 3.6370 4.3906 4.3906 4.3978 4.3978 4.7284 4.7284 4.7314 4.7314 7.5328 7.5328 7.5347 7.5347 7.7439 7.7439 7.7471 7.7471 k = 0.5000 0.3541 0.0393 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6485 -5.6485 -5.6485 -5.6485 -3.5044 -3.5044 -3.5042 -3.5042 -0.4787 -0.4787 -0.4782 -0.4782 2.9438 2.9438 2.9525 2.9525 3.0487 3.0487 3.0570 3.0570 3.6448 3.6448 3.6486 3.6486 4.3892 4.3892 4.3942 4.3942 4.7320 4.7320 4.7340 4.7340 7.5206 7.5206 7.5219 7.5219 7.7115 7.7115 7.7138 7.7138 k = 0.5000 0.3541 0.0196 ( 11222 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6511 -5.6511 -5.6511 -5.6511 -3.4981 -3.4981 -3.4981 -3.4981 -0.4871 -0.4871 -0.4869 -0.4869 2.9672 2.9672 2.9734 2.9734 3.0406 3.0406 3.0466 3.0466 3.6534 3.6534 3.6553 3.6553 4.3889 4.3889 4.3915 4.3915 4.7346 4.7346 4.7356 4.7356 7.5139 7.5139 7.5146 7.5146 7.6915 7.6915 7.6927 7.6927 k = 0.5000 0.3541 0.0000 ( 11232 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.6519 -5.6519 -5.6519 -5.6519 -3.4960 -3.4960 -3.4960 -3.4960 -0.4898 -0.4898 -0.4898 -0.4898 2.9792 2.9792 2.9792 2.9792 3.0389 3.0389 3.0389 3.0389 3.6569 3.6569 3.6569 3.6569 4.3897 4.3897 4.3897 4.3897 4.7358 4.7358 4.7358 4.7358 7.5121 7.5121 7.5121 7.5121 7.6851 7.6851 7.6851 7.6851 k = 0.0000 0.0000 0.8652 ( 11260 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0181 -5.0181 -5.0177 -5.0177 -4.1583 -4.1583 -4.1570 -4.1570 -0.8923 -0.8923 -0.8913 -0.8913 1.3723 1.3723 1.3779 1.3779 2.5259 2.5259 2.5314 2.5314 4.6306 4.6306 4.6334 4.6334 5.1603 5.1603 5.1661 5.1661 5.4780 5.4780 5.4829 5.4829 8.6395 8.6395 8.6460 8.6460 9.7815 9.7815 9.7851 9.7851 k = 0.0156 0.0111 0.8652 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0181 -5.0181 -5.0177 -5.0176 -4.1586 -4.1584 -4.1572 -4.1571 -0.8911 -0.8910 -0.8901 -0.8899 1.3646 1.3646 1.3701 1.3702 2.5361 2.5363 2.5415 2.5418 4.6283 4.6284 4.6309 4.6314 5.1601 5.1602 5.1659 5.1660 5.4738 5.4750 5.4791 5.4793 8.6434 8.6442 8.6500 8.6505 9.7821 9.7821 9.7856 9.7856 k = 0.0312 0.0221 0.8652 ( 11254 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0179 -5.0178 -5.0175 -5.0174 -4.1592 -4.1588 -4.1577 -4.1576 -0.8874 -0.8873 -0.8865 -0.8860 1.3426 1.3426 1.3478 1.3479 2.5660 2.5666 2.5712 2.5717 4.6214 4.6216 4.6239 4.6248 5.1595 5.1599 5.1655 5.1656 5.4624 5.4647 5.4683 5.4686 8.6557 8.6571 8.6623 8.6634 9.7836 9.7837 9.7872 9.7872 k = 0.0469 0.0332 0.8652 ( 11244 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0176 -5.0175 -5.0173 -5.0170 -4.1601 -4.1596 -4.1585 -4.1584 -0.8812 -0.8811 -0.8804 -0.8797 1.3085 1.3085 1.3133 1.3134 2.6134 2.6142 2.6182 2.6190 4.6096 4.6100 4.6120 4.6134 5.1588 5.1592 5.1648 5.1650 5.4445 5.4480 5.4510 5.4515 8.6758 8.6779 8.6824 8.6841 9.7862 9.7862 9.7897 9.7898 k = 0.0625 0.0443 0.8652 ( 11242 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0172 -5.0171 -5.0169 -5.0166 -4.1612 -4.1606 -4.1597 -4.1595 -0.8728 -0.8727 -0.8721 -0.8712 1.2653 1.2654 1.2697 1.2698 2.6753 2.6763 2.6796 2.6805 4.5925 4.5930 4.5948 4.5967 5.1578 5.1584 5.1640 5.1642 5.4213 5.4258 5.4284 5.4289 8.7029 8.7057 8.7097 8.7118 9.7896 9.7896 9.7931 9.7932 k = 0.0781 0.0553 0.8652 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0167 -5.0166 -5.0164 -5.0160 -4.1627 -4.1618 -4.1610 -4.1609 -0.8625 -0.8623 -0.8618 -0.8607 1.2161 1.2162 1.2200 1.2202 2.7486 2.7498 2.7524 2.7536 4.5694 4.5702 4.5718 4.5740 5.1566 5.1574 5.1629 5.1632 5.3940 5.3995 5.4017 5.4023 8.7360 8.7394 8.7428 8.7455 9.7938 9.7938 9.7972 9.7973 k = 0.0938 0.0664 0.8652 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0161 -5.0160 -5.0159 -5.0154 -4.1643 -4.1633 -4.1626 -4.1624 -0.8504 -0.8501 -0.8498 -0.8485 1.1635 1.1638 1.1671 1.1673 2.8308 2.8322 2.8341 2.8355 4.5398 4.5407 4.5422 4.5447 5.1553 5.1563 5.1618 5.1621 5.3643 5.3706 5.3725 5.3732 8.7739 8.7778 8.7808 8.7840 9.7984 9.7984 9.8018 9.8020 k = 0.1094 0.0775 0.8652 ( 11254 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0155 -5.0153 -5.0153 -5.0148 -4.1660 -4.1649 -4.1643 -4.1641 -0.8370 -0.8367 -0.8365 -0.8349 1.1099 1.1102 1.1132 1.1133 2.9198 2.9214 2.9225 2.9242 4.5030 4.5041 4.5055 4.5080 5.1540 5.1551 5.1607 5.1610 5.3338 5.3408 5.3425 5.3432 8.8151 8.8196 8.8221 8.8257 9.8033 9.8034 9.8066 9.8069 k = 0.1250 0.0885 0.8652 ( 11258 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0148 -5.0146 -5.0146 -5.0141 -4.1678 -4.1665 -4.1660 -4.1658 -0.8226 -0.8223 -0.8222 -0.8205 1.0571 1.0575 1.0601 1.0602 3.0139 3.0156 3.0160 3.0180 4.4583 4.4596 4.4611 4.4636 5.1528 5.1540 5.1596 5.1600 5.3040 5.3115 5.3131 5.3137 8.8582 8.8631 8.8652 8.8693 9.8083 9.8084 9.8115 9.8118 k = 0.1406 0.0996 0.8652 ( 11268 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0142 -5.0140 -5.0140 -5.0134 -4.1696 -4.1682 -4.1678 -4.1676 -0.8079 -0.8076 -0.8075 -0.8056 1.0067 1.0073 1.0094 1.0095 3.1116 3.1132 3.1136 3.1155 4.4056 4.4071 4.4087 4.4109 5.1517 5.1530 5.1588 5.1592 5.2761 5.2839 5.2855 5.2860 8.9016 8.9069 8.9085 8.9131 9.8130 9.8133 9.8162 9.8165 k = 0.1562 0.1106 0.8652 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0135 -5.0134 -5.0133 -5.0127 -4.1713 -4.1698 -4.1695 -4.1693 -0.7934 -0.7931 -0.7929 -0.7910 0.9601 0.9607 0.9625 0.9626 3.2119 3.2129 3.2141 3.2156 4.3449 4.3466 4.3484 4.3501 5.1509 5.1523 5.1582 5.1588 5.2511 5.2590 5.2607 5.2610 8.9436 8.9493 8.9505 8.9556 9.8173 9.8177 9.8203 9.8207 k = 0.1719 0.1217 0.8652 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0130 -5.0128 -5.0127 -5.0121 -4.1729 -4.1713 -4.1710 -4.1708 -0.7795 -0.7793 -0.7791 -0.7770 0.9184 0.9191 0.9206 0.9206 3.3138 3.3141 3.3161 3.3173 4.2766 4.2785 4.2807 4.2816 5.1506 5.1520 5.1581 5.1588 5.2294 5.2372 5.2392 5.2392 8.9826 8.9886 8.9896 8.9951 9.8209 9.8215 9.8239 9.8243 k = 0.1875 0.1328 0.8652 ( 11254 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0124 -5.0123 -5.0122 -5.0116 -4.1743 -4.1726 -4.1724 -4.1722 -0.7671 -0.7670 -0.7667 -0.7645 0.8826 0.8835 0.8847 0.8847 3.4155 3.4161 3.4187 3.4195 4.2014 4.2035 4.2062 4.2063 5.1510 5.1522 5.1585 5.1594 5.2112 5.2187 5.2208 5.2212 9.0172 9.0235 9.0242 9.0300 9.8239 9.8246 9.8266 9.8271 k = 0.2031 0.1438 0.8652 ( 11246 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0120 -5.0119 -5.0117 -5.0111 -4.1754 -4.1736 -4.1735 -4.1733 -0.7567 -0.7566 -0.7562 -0.7540 0.8538 0.8548 0.8556 0.8557 3.5159 3.5178 3.5206 3.5210 4.1206 4.1228 4.1251 4.1268 5.1520 5.1528 5.1596 5.1609 5.1966 5.2035 5.2057 5.2067 9.0458 9.0523 9.0528 9.0590 9.8260 9.8270 9.8285 9.8292 k = 0.2188 0.1549 0.8652 ( 11248 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0117 -5.0116 -5.0114 -5.0108 -4.1762 -4.1744 -4.1743 -4.1742 -0.7488 -0.7487 -0.7483 -0.7461 0.8326 0.8337 0.8343 0.8344 3.6127 3.6168 3.6198 3.6199 4.0363 4.0387 4.0405 4.0446 5.1539 5.1540 5.1611 5.1634 5.1856 5.1912 5.1937 5.1959 9.0673 9.0740 9.0743 9.0807 9.8275 9.8287 9.8297 9.8305 k = 0.2344 0.1660 0.8652 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0115 -5.0114 -5.0112 -5.0106 -4.1768 -4.1748 -4.1748 -4.1747 -0.7438 -0.7438 -0.7433 -0.7411 0.8196 0.8209 0.8212 0.8214 3.6989 3.7076 3.7105 3.7108 3.9542 3.9569 3.9581 3.9671 5.1551 5.1569 5.1619 5.1670 5.1792 5.1819 5.1847 5.1890 9.0806 9.0874 9.0875 9.0941 9.8283 9.8298 9.8303 9.8313 k = 0.2500 0.1770 0.8652 ( 11264 PWs) bands (ev): -92.8461 -92.8461 -92.8461 -92.8461 -5.0114 -5.0114 -5.0111 -5.0105 -4.1769 -4.1750 -4.1749 -4.1749 -0.7421 -0.7421 -0.7417 -0.7394 0.8152 0.8167 0.8167 0.8170 3.7432 3.7581 3.7613 3.7613 3.9066 3.9098 3.9098 3.9257 5.1556 5.1602 5.1602 5.1699 5.1770 5.1793 5.1793 5.1865 9.0851 9.0920 9.0920 9.0987 9.8285 9.8303 9.8303 9.8315 Writing output data file BeSiP2.save init_run : 5.67s CPU 13.39s WALL ( 1 calls) electrons : 1522.59s CPU 1536.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.58s CPU 1.83s WALL ( 1 calls) Called by electrons: c_bands : 1522.56s CPU 1535.82s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.97s WALL ( 1 calls) v_h : 0.02s CPU 0.06s WALL ( 1 calls) v_xc : 0.10s CPU 0.62s WALL ( 1 calls) newd : 1.53s CPU 1.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.21s CPU 0.36s WALL ( 299 calls) cegterg : 1417.15s CPU 1425.77s WALL ( 757 calls) Called by sum_band: Called by *egterg: h_psi : 1052.75s CPU 1066.79s WALL ( 13572 calls) s_psi : 79.29s CPU 79.44s WALL ( 13572 calls) g_psi : 1.87s CPU 1.84s WALL ( 12516 calls) cdiaghg : 189.73s CPU 187.39s WALL ( 12815 calls) cegterg:over : 80.58s CPU 76.88s WALL ( 12516 calls) cegterg:upda : 29.24s CPU 33.50s WALL ( 12516 calls) cegterg:last : 22.45s CPU 23.44s WALL ( 2313 calls) Called by h_psi: h_psi:vloc : 889.79s CPU 899.59s WALL ( 13572 calls) h_psi:vnl : 161.96s CPU 165.29s WALL ( 13572 calls) add_vuspsi : 63.74s CPU 68.50s WALL ( 13572 calls) General routines calbec : 98.16s CPU 96.69s WALL ( 13572 calls) fft : 0.35s CPU 1.24s WALL ( 19 calls) ffts : 0.03s CPU 0.09s WALL ( 4 calls) fftw : 660.73s CPU 663.14s WALL ( 1264320 calls) interpolate : 0.19s CPU 0.27s WALL ( 4 calls) davcio : 0.05s CPU 2.24s WALL ( 598 calls) Parallel routines fft_scatter : 358.92s CPU 353.77s WALL ( 1264343 calls) PWSCF : 26m36.90s CPU 29m15.53s WALL This run was terminated on: 3: 9:16 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=