Program PWSCF v.5.1.1 starts on 13Jun2016 at 2: 3:23 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: ./BeSiN2.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 125 46 13 4291 965 148 Max 126 47 14 4293 984 150 Sum 6009 2239 633 205999 46821 7125 bravais-lattice index = 14 lattice parameter (alat) = 9.6161 a.u. unit-cell volume = 474.4039 (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)= 9.616111 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.675409 celldm(5)= -0.675409 celldm(6)= 0.350818 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.350818 0.936444 0.000000 ) a(3) = ( -0.675409 -0.468222 0.569729 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.374628 0.877610 ) b(2) = ( 0.000000 1.067870 0.877610 ) b(3) = ( 0.000000 0.000000 1.755221 ) 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 1.00) Si 4.00 28.08550 Si( 1.00) N 5.00 14.00670 N( 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 =( -0.1754090 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4682218 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2848644 ) 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= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0000000 0.0159566), wk = 0.0027027 k( 3) = ( 0.0000000 0.0000000 0.0319131), wk = 0.0027027 k( 4) = ( 0.0000000 0.0000000 0.0478697), wk = 0.0027027 k( 5) = ( 0.0000000 0.0000000 0.0638262), wk = 0.0027027 k( 6) = ( 0.0000000 0.0000000 0.0797828), wk = 0.0027027 k( 7) = ( 0.0000000 0.0000000 0.0957393), wk = 0.0027027 k( 8) = ( 0.0000000 0.0000000 0.1116959), wk = 0.0027027 k( 9) = ( 0.0000000 0.0000000 0.1276524), wk = 0.0027027 k( 10) = ( 0.0000000 0.0000000 0.1436090), wk = 0.0027027 k( 11) = ( 0.0000000 0.0000000 0.1595655), wk = 0.0027027 k( 12) = ( 0.0000000 0.0000000 0.1755221), wk = 0.0027027 k( 13) = ( 0.0000000 0.0000000 0.1914786), wk = 0.0027027 k( 14) = ( 0.0000000 0.0000000 0.2074352), wk = 0.0027027 k( 15) = ( 0.0000000 0.0000000 0.2233917), wk = 0.0027027 k( 16) = ( 0.0000000 0.0000000 0.2393483), wk = 0.0027027 k( 17) = ( 0.0000000 0.0000000 0.2553048), wk = 0.0027027 k( 18) = ( 0.0000000 0.0000000 0.2712614), wk = 0.0027027 k( 19) = ( 0.0000000 0.0000000 0.2872179), wk = 0.0027027 k( 20) = ( 0.0000000 0.0000000 0.3031745), wk = 0.0027027 k( 21) = ( 0.0000000 0.0000000 0.3191310), wk = 0.0027027 k( 22) = ( 0.0000000 0.0000000 0.3350876), wk = 0.0027027 k( 23) = ( 0.0000000 0.0000000 0.3510442), wk = 0.0027027 k( 24) = ( 0.0000000 0.0000000 0.3670007), wk = 0.0027027 k( 25) = ( 0.0000000 0.0000000 0.3829573), wk = 0.0027027 k( 26) = ( 0.0000000 0.0000000 0.3989138), wk = 0.0027027 k( 27) = ( 0.0000000 0.0000000 0.4148704), wk = 0.0027027 k( 28) = ( 0.0000000 0.0000000 0.4308269), wk = 0.0027027 k( 29) = ( 0.0000000 0.0000000 0.4467835), wk = 0.0027027 k( 30) = ( 0.0000000 0.0000000 0.4627400), wk = 0.0027027 k( 31) = ( 0.0000000 0.0000000 0.4786966), wk = 0.0027027 k( 32) = ( 0.0000000 0.0000000 0.4946531), wk = 0.0027027 k( 33) = ( 0.0000000 0.0000000 0.5106097), wk = 0.0027027 k( 34) = ( 0.0000000 0.0000000 0.5265662), wk = 0.0027027 k( 35) = ( 0.0000000 0.0000000 0.5425228), wk = 0.0027027 k( 36) = ( 0.0000000 0.0000000 0.5584793), wk = 0.0027027 k( 37) = ( 0.0000000 0.0000000 0.5744359), wk = 0.0027027 k( 38) = ( 0.0000000 0.0000000 0.5903925), wk = 0.0027027 k( 39) = ( 0.0000000 0.0000000 0.6063490), wk = 0.0027027 k( 40) = ( 0.0000000 0.0000000 0.6223055), wk = 0.0027027 k( 41) = ( 0.0000000 0.0000000 0.6382621), wk = 0.0027027 k( 42) = ( 0.0000000 0.0000000 0.6542187), wk = 0.0027027 k( 43) = ( 0.0000000 0.0000000 0.6701752), wk = 0.0027027 k( 44) = ( 0.0000000 0.0000000 0.6861318), wk = 0.0027027 k( 45) = ( 0.0000000 0.0000000 0.7020883), wk = 0.0027027 k( 46) = ( 0.0000000 0.0000000 0.7180449), wk = 0.0027027 k( 47) = ( 0.0000000 0.0000000 0.7340014), wk = 0.0027027 k( 48) = ( 0.0000000 0.0000000 0.7499580), wk = 0.0027027 k( 49) = ( 0.0000000 0.0000000 0.7659145), wk = 0.0027027 k( 50) = ( 0.0000000 0.0000000 0.7818711), wk = 0.0027027 k( 51) = ( 0.0000000 0.0000000 0.7978276), wk = 0.0027027 k( 52) = ( 0.0000000 0.0000000 0.8137842), wk = 0.0027027 k( 53) = ( 0.0000000 0.0000000 0.8297407), wk = 0.0027027 k( 54) = ( 0.0000000 0.0000000 0.8456973), wk = 0.0027027 k( 55) = ( 0.0000000 0.0000000 0.8616538), wk = 0.0027027 k( 56) = ( 0.0000000 0.0000000 0.8776104), wk = 0.0027027 k( 57) = ( 0.0000000 0.0000000 0.8776104), wk = 0.0027027 k( 58) = ( -0.0085819 0.0123793 0.8776104), wk = 0.0027027 k( 59) = ( -0.0171637 0.0247586 0.8776104), wk = 0.0027027 k( 60) = ( -0.0257456 0.0371380 0.8776104), wk = 0.0027027 k( 61) = ( -0.0343275 0.0495173 0.8776104), wk = 0.0027027 k( 62) = ( -0.0429093 0.0618966 0.8776104), wk = 0.0027027 k( 63) = ( -0.0514912 0.0742759 0.8776104), wk = 0.0027027 k( 64) = ( -0.0600731 0.0866552 0.8776104), wk = 0.0027027 k( 65) = ( -0.0686549 0.0990346 0.8776104), wk = 0.0027027 k( 66) = ( -0.0772368 0.1114139 0.8776104), wk = 0.0027027 k( 67) = ( -0.0858186 0.1237932 0.8776104), wk = 0.0027027 k( 68) = ( -0.0944005 0.1361725 0.8776104), wk = 0.0027027 k( 69) = ( -0.1029824 0.1485518 0.8776104), wk = 0.0027027 k( 70) = ( -0.1115642 0.1609312 0.8776104), wk = 0.0027027 k( 71) = ( -0.1201461 0.1733105 0.8776104), wk = 0.0027027 k( 72) = ( -0.1201461 0.1733105 0.8776104), wk = 0.0027027 k( 73) = ( -0.1264770 0.1824428 0.8664983), wk = 0.0027027 k( 74) = ( -0.1328079 0.1915751 0.8553861), wk = 0.0027027 k( 75) = ( -0.1391388 0.2007074 0.8442740), wk = 0.0027027 k( 76) = ( -0.1454697 0.2098397 0.8331619), wk = 0.0027027 k( 77) = ( -0.1518006 0.2189720 0.8220498), wk = 0.0027027 k( 78) = ( -0.1581315 0.2281043 0.8109376), wk = 0.0027027 k( 79) = ( -0.1644624 0.2372366 0.7998255), wk = 0.0027027 k( 80) = ( -0.1707933 0.2463689 0.7887134), wk = 0.0027027 k( 81) = ( -0.1771242 0.2555012 0.7776013), wk = 0.0027027 k( 82) = ( -0.1834551 0.2646336 0.7664892), wk = 0.0027027 k( 83) = ( -0.1897860 0.2737659 0.7553770), wk = 0.0027027 k( 84) = ( -0.1961169 0.2828982 0.7442649), wk = 0.0027027 k( 85) = ( -0.2024478 0.2920305 0.7331528), wk = 0.0027027 k( 86) = ( -0.2087787 0.3011628 0.7220406), wk = 0.0027027 k( 87) = ( -0.2151096 0.3102951 0.7109285), wk = 0.0027027 k( 88) = ( -0.2214405 0.3194274 0.6998164), wk = 0.0027027 k( 89) = ( -0.2277714 0.3285597 0.6887043), wk = 0.0027027 k( 90) = ( -0.2341023 0.3376920 0.6775922), wk = 0.0027027 k( 91) = ( -0.2404332 0.3468243 0.6664800), wk = 0.0027027 k( 92) = ( -0.2467641 0.3559566 0.6553679), wk = 0.0027027 k( 93) = ( -0.2530950 0.3650889 0.6442558), wk = 0.0027027 k( 94) = ( -0.2594259 0.3742212 0.6331437), wk = 0.0027027 k( 95) = ( -0.2657568 0.3833536 0.6220315), wk = 0.0027027 k( 96) = ( -0.2720877 0.3924859 0.6109194), wk = 0.0027027 k( 97) = ( -0.2784186 0.4016182 0.5998073), wk = 0.0027027 k( 98) = ( -0.2847495 0.4107505 0.5886952), wk = 0.0027027 k( 99) = ( -0.2910803 0.4198828 0.5775830), wk = 0.0027027 k( 100) = ( -0.2974113 0.4290151 0.5664709), wk = 0.0027027 k( 101) = ( -0.3037421 0.4381474 0.5553588), wk = 0.0027027 k( 102) = ( -0.3100731 0.4472797 0.5442467), wk = 0.0027027 k( 103) = ( -0.3100731 0.4472797 0.5442467), wk = 0.0027027 k( 104) = ( -0.3036132 0.4379614 0.5329082), wk = 0.0027027 k( 105) = ( -0.2971533 0.4286430 0.5215697), wk = 0.0027027 k( 106) = ( -0.2906935 0.4193247 0.5102312), wk = 0.0027027 k( 107) = ( -0.2842336 0.4100064 0.4988928), wk = 0.0027027 k( 108) = ( -0.2777738 0.4006881 0.4875543), wk = 0.0027027 k( 109) = ( -0.2713139 0.3913697 0.4762158), wk = 0.0027027 k( 110) = ( -0.2648541 0.3820514 0.4648774), wk = 0.0027027 k( 111) = ( -0.2583942 0.3727331 0.4535389), wk = 0.0027027 k( 112) = ( -0.2519343 0.3634148 0.4422004), wk = 0.0027027 k( 113) = ( -0.2454745 0.3540964 0.4308619), wk = 0.0027027 k( 114) = ( -0.2390146 0.3447781 0.4195235), wk = 0.0027027 k( 115) = ( -0.2325548 0.3354598 0.4081850), wk = 0.0027027 k( 116) = ( -0.2260949 0.3261414 0.3968465), wk = 0.0027027 k( 117) = ( -0.2196351 0.3168231 0.3855081), wk = 0.0027027 k( 118) = ( -0.2131752 0.3075048 0.3741696), wk = 0.0027027 k( 119) = ( -0.2067154 0.2981865 0.3628311), wk = 0.0027027 k( 120) = ( -0.2002555 0.2888681 0.3514926), wk = 0.0027027 k( 121) = ( -0.1937957 0.2795498 0.3401542), wk = 0.0027027 k( 122) = ( -0.1873358 0.2702315 0.3288157), wk = 0.0027027 k( 123) = ( -0.1808760 0.2609132 0.3174772), wk = 0.0027027 k( 124) = ( -0.1744161 0.2515948 0.3061387), wk = 0.0027027 k( 125) = ( -0.1679562 0.2422765 0.2948003), wk = 0.0027027 k( 126) = ( -0.1614964 0.2329582 0.2834618), wk = 0.0027027 k( 127) = ( -0.1550365 0.2236398 0.2721233), wk = 0.0027027 k( 128) = ( -0.1485767 0.2143215 0.2607849), wk = 0.0027027 k( 129) = ( -0.1421168 0.2050032 0.2494464), wk = 0.0027027 k( 130) = ( -0.1356570 0.1956849 0.2381079), wk = 0.0027027 k( 131) = ( -0.1291971 0.1863665 0.2267694), wk = 0.0027027 k( 132) = ( -0.1227373 0.1770482 0.2154310), wk = 0.0027027 k( 133) = ( -0.1162774 0.1677299 0.2040925), wk = 0.0027027 k( 134) = ( -0.1098175 0.1584116 0.1927540), wk = 0.0027027 k( 135) = ( -0.1033577 0.1490932 0.1814155), wk = 0.0027027 k( 136) = ( -0.0968978 0.1397749 0.1700771), wk = 0.0027027 k( 137) = ( -0.0904380 0.1304566 0.1587386), wk = 0.0027027 k( 138) = ( -0.0839781 0.1211383 0.1474001), wk = 0.0027027 k( 139) = ( -0.0775183 0.1118199 0.1360617), wk = 0.0027027 k( 140) = ( -0.0710584 0.1025016 0.1247232), wk = 0.0027027 k( 141) = ( -0.0645986 0.0931833 0.1133847), wk = 0.0027027 k( 142) = ( -0.0581387 0.0838649 0.1020463), wk = 0.0027027 k( 143) = ( -0.0516788 0.0745466 0.0907078), wk = 0.0027027 k( 144) = ( -0.0452190 0.0652283 0.0793693), wk = 0.0027027 k( 145) = ( -0.0387591 0.0559100 0.0680308), wk = 0.0027027 k( 146) = ( -0.0322993 0.0465916 0.0566924), wk = 0.0027027 k( 147) = ( -0.0258394 0.0372733 0.0453539), wk = 0.0027027 k( 148) = ( -0.0193796 0.0279550 0.0340154), wk = 0.0027027 k( 149) = ( -0.0129197 0.0186367 0.0226769), wk = 0.0027027 k( 150) = ( -0.0064599 0.0093183 0.0113385), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 153) = ( 0.0131579 0.0091216 0.0000000), wk = 0.0027027 k( 154) = ( 0.0263158 0.0182432 0.0000000), wk = 0.0027027 k( 155) = ( 0.0394737 0.0273648 0.0000000), wk = 0.0027027 k( 156) = ( 0.0526316 0.0364864 0.0000000), wk = 0.0027027 k( 157) = ( 0.0657895 0.0456080 0.0000000), wk = 0.0027027 k( 158) = ( 0.0789474 0.0547296 0.0000000), wk = 0.0027027 k( 159) = ( 0.0921053 0.0638512 0.0000000), wk = 0.0027027 k( 160) = ( 0.1052632 0.0729728 0.0000000), wk = 0.0027027 k( 161) = ( 0.1184210 0.0820944 0.0000000), wk = 0.0027027 k( 162) = ( 0.1315790 0.0912160 0.0000000), wk = 0.0027027 k( 163) = ( 0.1447368 0.1003376 0.0000000), wk = 0.0027027 k( 164) = ( 0.1578947 0.1094593 0.0000000), wk = 0.0027027 k( 165) = ( 0.1710526 0.1185809 0.0000000), wk = 0.0027027 k( 166) = ( 0.1842105 0.1277025 0.0000000), wk = 0.0027027 k( 167) = ( 0.1973684 0.1368241 0.0000000), wk = 0.0027027 k( 168) = ( 0.2105263 0.1459457 0.0000000), wk = 0.0027027 k( 169) = ( 0.2236842 0.1550673 0.0000000), wk = 0.0027027 k( 170) = ( 0.2368421 0.1641889 0.0000000), wk = 0.0027027 k( 171) = ( 0.2500000 0.1733105 0.0000000), wk = 0.0027027 k( 172) = ( 0.2631579 0.1824321 0.0000000), wk = 0.0027027 k( 173) = ( 0.2763158 0.1915537 0.0000000), wk = 0.0027027 k( 174) = ( 0.2894737 0.2006753 0.0000000), wk = 0.0027027 k( 175) = ( 0.3026316 0.2097969 0.0000000), wk = 0.0027027 k( 176) = ( 0.3157895 0.2189185 0.0000000), wk = 0.0027027 k( 177) = ( 0.3289474 0.2280401 0.0000000), wk = 0.0027027 k( 178) = ( 0.3421053 0.2371617 0.0000000), wk = 0.0027027 k( 179) = ( 0.3552632 0.2462833 0.0000000), wk = 0.0027027 k( 180) = ( 0.3684211 0.2554049 0.0000000), wk = 0.0027027 k( 181) = ( 0.3815789 0.2645265 0.0000000), wk = 0.0027027 k( 182) = ( 0.3947368 0.2736481 0.0000000), wk = 0.0027027 k( 183) = ( 0.4078947 0.2827697 0.0000000), wk = 0.0027027 k( 184) = ( 0.4210526 0.2918913 0.0000000), wk = 0.0027027 k( 185) = ( 0.4342105 0.3010130 0.0000000), wk = 0.0027027 k( 186) = ( 0.4473684 0.3101346 0.0000000), wk = 0.0027027 k( 187) = ( 0.4605263 0.3192562 0.0000000), wk = 0.0027027 k( 188) = ( 0.4736842 0.3283778 0.0000000), wk = 0.0027027 k( 189) = ( 0.4868421 0.3374994 0.0000000), wk = 0.0027027 k( 190) = ( 0.5000000 0.3466210 0.0000000), wk = 0.0027027 k( 191) = ( 0.5000000 0.3466210 0.0000000), wk = 0.0027027 k( 192) = ( 0.4936691 0.3557533 0.0111121), wk = 0.0027027 k( 193) = ( 0.4873382 0.3648856 0.0222243), wk = 0.0027027 k( 194) = ( 0.4810073 0.3740179 0.0333364), wk = 0.0027027 k( 195) = ( 0.4746764 0.3831502 0.0444485), wk = 0.0027027 k( 196) = ( 0.4683455 0.3922825 0.0555606), wk = 0.0027027 k( 197) = ( 0.4620146 0.4014148 0.0666727), wk = 0.0027027 k( 198) = ( 0.4556837 0.4105471 0.0777849), wk = 0.0027027 k( 199) = ( 0.4493528 0.4196794 0.0888970), wk = 0.0027027 k( 200) = ( 0.4430219 0.4288117 0.1000091), wk = 0.0027027 k( 201) = ( 0.4366910 0.4379440 0.1111212), wk = 0.0027027 k( 202) = ( 0.4303601 0.4470763 0.1222334), wk = 0.0027027 k( 203) = ( 0.4240292 0.4562087 0.1333455), wk = 0.0027027 k( 204) = ( 0.4176983 0.4653410 0.1444576), wk = 0.0027027 k( 205) = ( 0.4113674 0.4744733 0.1555697), wk = 0.0027027 k( 206) = ( 0.4050365 0.4836056 0.1666819), wk = 0.0027027 k( 207) = ( 0.3987056 0.4927379 0.1777940), wk = 0.0027027 k( 208) = ( 0.3923747 0.5018702 0.1889061), wk = 0.0027027 k( 209) = ( 0.3860438 0.5110025 0.2000182), wk = 0.0027027 k( 210) = ( 0.3797129 0.5201348 0.2111304), wk = 0.0027027 k( 211) = ( 0.3733820 0.5292671 0.2222425), wk = 0.0027027 k( 212) = ( 0.3670511 0.5383994 0.2333546), wk = 0.0027027 k( 213) = ( 0.3607202 0.5475317 0.2444667), wk = 0.0027027 k( 214) = ( 0.3543893 0.5566640 0.2555789), wk = 0.0027027 k( 215) = ( 0.3480584 0.5657963 0.2666910), wk = 0.0027027 k( 216) = ( 0.3417275 0.5749287 0.2778031), wk = 0.0027027 k( 217) = ( 0.3353966 0.5840610 0.2889152), wk = 0.0027027 k( 218) = ( 0.3290657 0.5931933 0.3000274), wk = 0.0027027 k( 219) = ( 0.3227349 0.6023256 0.3111395), wk = 0.0027027 k( 220) = ( 0.3164039 0.6114579 0.3222516), wk = 0.0027027 k( 221) = ( 0.3100731 0.6205902 0.3333637), wk = 0.0027027 k( 222) = ( 0.3100731 0.6205902 0.3333637), wk = 0.0027027 k( 223) = ( 0.2953077 0.6164637 0.3383847), wk = 0.0027027 k( 224) = ( 0.2805423 0.6123373 0.3434058), wk = 0.0027027 k( 225) = ( 0.2657769 0.6082109 0.3484268), wk = 0.0027027 k( 226) = ( 0.2510115 0.6040844 0.3534478), wk = 0.0027027 k( 227) = ( 0.2362461 0.5999580 0.3584688), wk = 0.0027027 k( 228) = ( 0.2214808 0.5958315 0.3634899), wk = 0.0027027 k( 229) = ( 0.2067154 0.5917051 0.3685109), wk = 0.0027027 k( 230) = ( 0.1919500 0.5875787 0.3735319), wk = 0.0027027 k( 231) = ( 0.1771846 0.5834522 0.3785529), wk = 0.0027027 k( 232) = ( 0.1624192 0.5793258 0.3835740), wk = 0.0027027 k( 233) = ( 0.1476538 0.5751994 0.3885950), wk = 0.0027027 k( 234) = ( 0.1328884 0.5710729 0.3936160), wk = 0.0027027 k( 235) = ( 0.1181231 0.5669465 0.3986370), wk = 0.0027027 k( 236) = ( 0.1033577 0.5628200 0.4036580), wk = 0.0027027 k( 237) = ( 0.0885923 0.5586936 0.4086791), wk = 0.0027027 k( 238) = ( 0.0738269 0.5545671 0.4137001), wk = 0.0027027 k( 239) = ( 0.0590615 0.5504407 0.4187211), wk = 0.0027027 k( 240) = ( 0.0442961 0.5463143 0.4237421), wk = 0.0027027 k( 241) = ( 0.0295308 0.5421878 0.4287631), wk = 0.0027027 k( 242) = ( 0.0147654 0.5380614 0.4337842), wk = 0.0027027 k( 243) = ( 0.0000000 0.5339349 0.4388052), wk = 0.0027027 k( 244) = ( 0.0000000 0.5339349 0.4388052), wk = 0.0027027 k( 245) = ( 0.0064103 0.5246882 0.4500566), wk = 0.0027027 k( 246) = ( 0.0128205 0.5154414 0.4613080), wk = 0.0027027 k( 247) = ( 0.0192308 0.5061946 0.4725594), wk = 0.0027027 k( 248) = ( 0.0256410 0.4969478 0.4838109), wk = 0.0027027 k( 249) = ( 0.0320513 0.4877010 0.4950623), wk = 0.0027027 k( 250) = ( 0.0384615 0.4784543 0.5063137), wk = 0.0027027 k( 251) = ( 0.0448718 0.4692075 0.5175651), wk = 0.0027027 k( 252) = ( 0.0512821 0.4599607 0.5288165), wk = 0.0027027 k( 253) = ( 0.0576923 0.4507139 0.5400679), wk = 0.0027027 k( 254) = ( 0.0641026 0.4414671 0.5513193), wk = 0.0027027 k( 255) = ( 0.0705128 0.4322204 0.5625708), wk = 0.0027027 k( 256) = ( 0.0769231 0.4229736 0.5738222), wk = 0.0027027 k( 257) = ( 0.0833333 0.4137268 0.5850736), wk = 0.0027027 k( 258) = ( 0.0897436 0.4044800 0.5963250), wk = 0.0027027 k( 259) = ( 0.0961538 0.3952332 0.6075764), wk = 0.0027027 k( 260) = ( 0.1025641 0.3859865 0.6188278), wk = 0.0027027 k( 261) = ( 0.1089744 0.3767397 0.6300793), wk = 0.0027027 k( 262) = ( 0.1153846 0.3674929 0.6413307), wk = 0.0027027 k( 263) = ( 0.1217949 0.3582461 0.6525821), wk = 0.0027027 k( 264) = ( 0.1282051 0.3489993 0.6638335), wk = 0.0027027 k( 265) = ( 0.1346154 0.3397525 0.6750849), wk = 0.0027027 k( 266) = ( 0.1410256 0.3305058 0.6863363), wk = 0.0027027 k( 267) = ( 0.1474359 0.3212590 0.6975878), wk = 0.0027027 k( 268) = ( 0.1538461 0.3120122 0.7088392), wk = 0.0027027 k( 269) = ( 0.1602564 0.3027654 0.7200906), wk = 0.0027027 k( 270) = ( 0.1666667 0.2935186 0.7313420), wk = 0.0027027 k( 271) = ( 0.1730769 0.2842719 0.7425934), wk = 0.0027027 k( 272) = ( 0.1794872 0.2750251 0.7538448), wk = 0.0027027 k( 273) = ( 0.1858974 0.2657783 0.7650962), wk = 0.0027027 k( 274) = ( 0.1923077 0.2565315 0.7763477), wk = 0.0027027 k( 275) = ( 0.1987180 0.2472847 0.7875991), wk = 0.0027027 k( 276) = ( 0.2051282 0.2380379 0.7988505), wk = 0.0027027 k( 277) = ( 0.2115385 0.2287912 0.8101019), wk = 0.0027027 k( 278) = ( 0.2179487 0.2195444 0.8213533), wk = 0.0027027 k( 279) = ( 0.2243590 0.2102976 0.8326047), wk = 0.0027027 k( 280) = ( 0.2307692 0.2010508 0.8438561), wk = 0.0027027 k( 281) = ( 0.2371795 0.1918040 0.8551076), wk = 0.0027027 k( 282) = ( 0.2435897 0.1825573 0.8663590), wk = 0.0027027 k( 283) = ( 0.2500000 0.1733105 0.8776104), wk = 0.0027027 k( 284) = ( 0.2500000 0.1733105 0.8776104), wk = 0.0027027 k( 285) = ( 0.2608696 0.1808457 0.8684416), wk = 0.0027027 k( 286) = ( 0.2717391 0.1883810 0.8592727), wk = 0.0027027 k( 287) = ( 0.2826087 0.1959162 0.8501039), wk = 0.0027027 k( 288) = ( 0.2934783 0.2034514 0.8409351), wk = 0.0027027 k( 289) = ( 0.3043478 0.2109867 0.8317663), wk = 0.0027027 k( 290) = ( 0.3152174 0.2185219 0.8225975), wk = 0.0027027 k( 291) = ( 0.3260870 0.2260572 0.8134286), wk = 0.0027027 k( 292) = ( 0.3369565 0.2335924 0.8042598), wk = 0.0027027 k( 293) = ( 0.3478261 0.2411276 0.7950910), wk = 0.0027027 k( 294) = ( 0.3586956 0.2486629 0.7859222), wk = 0.0027027 k( 295) = ( 0.3695652 0.2561981 0.7767534), wk = 0.0027027 k( 296) = ( 0.3804348 0.2637333 0.7675845), wk = 0.0027027 k( 297) = ( 0.3913044 0.2712686 0.7584157), wk = 0.0027027 k( 298) = ( 0.4021739 0.2788038 0.7492469), wk = 0.0027027 k( 299) = ( 0.4130435 0.2863391 0.7400780), wk = 0.0027027 k( 300) = ( 0.4239130 0.2938743 0.7309092), wk = 0.0027027 k( 301) = ( 0.4347826 0.3014095 0.7217404), wk = 0.0027027 k( 302) = ( 0.4456522 0.3089448 0.7125716), wk = 0.0027027 k( 303) = ( 0.4565217 0.3164800 0.7034028), wk = 0.0027027 k( 304) = ( 0.4673913 0.3240153 0.6942339), wk = 0.0027027 k( 305) = ( 0.4782609 0.3315505 0.6850651), wk = 0.0027027 k( 306) = ( 0.4891304 0.3390857 0.6758963), wk = 0.0027027 k( 307) = ( 0.5000000 0.3466210 0.6667275), wk = 0.0027027 k( 308) = ( 0.5000000 0.3466210 0.6667275), wk = 0.0027027 k( 309) = ( 0.5000000 0.3466210 0.6508530), wk = 0.0027027 k( 310) = ( 0.5000000 0.3466210 0.6349785), wk = 0.0027027 k( 311) = ( 0.5000000 0.3466210 0.6191041), wk = 0.0027027 k( 312) = ( 0.5000000 0.3466210 0.6032296), wk = 0.0027027 k( 313) = ( 0.5000000 0.3466210 0.5873551), wk = 0.0027027 k( 314) = ( 0.5000000 0.3466210 0.5714807), wk = 0.0027027 k( 315) = ( 0.5000000 0.3466210 0.5556062), wk = 0.0027027 k( 316) = ( 0.5000000 0.3466210 0.5397318), wk = 0.0027027 k( 317) = ( 0.5000000 0.3466210 0.5238573), wk = 0.0027027 k( 318) = ( 0.5000000 0.3466210 0.5079828), wk = 0.0027027 k( 319) = ( 0.5000000 0.3466210 0.4921084), wk = 0.0027027 k( 320) = ( 0.5000000 0.3466210 0.4762339), wk = 0.0027027 k( 321) = ( 0.5000000 0.3466210 0.4603594), wk = 0.0027027 k( 322) = ( 0.5000000 0.3466210 0.4444850), wk = 0.0027027 k( 323) = ( 0.5000000 0.3466210 0.4286105), wk = 0.0027027 k( 324) = ( 0.5000000 0.3466210 0.4127360), wk = 0.0027027 k( 325) = ( 0.5000000 0.3466210 0.3968616), wk = 0.0027027 k( 326) = ( 0.5000000 0.3466210 0.3809871), wk = 0.0027027 k( 327) = ( 0.5000000 0.3466210 0.3651127), wk = 0.0027027 k( 328) = ( 0.5000000 0.3466210 0.3492382), wk = 0.0027027 k( 329) = ( 0.5000000 0.3466210 0.3333637), wk = 0.0027027 k( 330) = ( 0.5000000 0.3466210 0.3174893), wk = 0.0027027 k( 331) = ( 0.5000000 0.3466210 0.3016148), wk = 0.0027027 k( 332) = ( 0.5000000 0.3466210 0.2857403), wk = 0.0027027 k( 333) = ( 0.5000000 0.3466210 0.2698659), wk = 0.0027027 k( 334) = ( 0.5000000 0.3466210 0.2539914), wk = 0.0027027 k( 335) = ( 0.5000000 0.3466210 0.2381170), wk = 0.0027027 k( 336) = ( 0.5000000 0.3466210 0.2222425), wk = 0.0027027 k( 337) = ( 0.5000000 0.3466210 0.2063680), wk = 0.0027027 k( 338) = ( 0.5000000 0.3466210 0.1904936), wk = 0.0027027 k( 339) = ( 0.5000000 0.3466210 0.1746191), wk = 0.0027027 k( 340) = ( 0.5000000 0.3466210 0.1587446), wk = 0.0027027 k( 341) = ( 0.5000000 0.3466210 0.1428702), wk = 0.0027027 k( 342) = ( 0.5000000 0.3466210 0.1269957), wk = 0.0027027 k( 343) = ( 0.5000000 0.3466210 0.1111212), wk = 0.0027027 k( 344) = ( 0.5000000 0.3466210 0.0952468), wk = 0.0027027 k( 345) = ( 0.5000000 0.3466210 0.0793723), wk = 0.0027027 k( 346) = ( 0.5000000 0.3466210 0.0634978), wk = 0.0027027 k( 347) = ( 0.5000000 0.3466210 0.0476234), wk = 0.0027027 k( 348) = ( 0.5000000 0.3466210 0.0317489), wk = 0.0027027 k( 349) = ( 0.5000000 0.3466210 0.0158745), wk = 0.0027027 k( 350) = ( 0.5000000 0.3466210 0.0000000), wk = 0.0027027 k( 351) = ( 0.0000000 0.0000000 0.8776104), wk = 0.0027027 k( 352) = ( 0.0131579 0.0091216 0.8776104), wk = 0.0027027 k( 353) = ( 0.0263158 0.0182432 0.8776104), wk = 0.0027027 k( 354) = ( 0.0394737 0.0273648 0.8776104), wk = 0.0027027 k( 355) = ( 0.0526316 0.0364864 0.8776104), wk = 0.0027027 k( 356) = ( 0.0657895 0.0456080 0.8776104), wk = 0.0027027 k( 357) = ( 0.0789474 0.0547296 0.8776104), wk = 0.0027027 k( 358) = ( 0.0921053 0.0638512 0.8776104), wk = 0.0027027 k( 359) = ( 0.1052632 0.0729728 0.8776104), wk = 0.0027027 k( 360) = ( 0.1184210 0.0820944 0.8776104), wk = 0.0027027 k( 361) = ( 0.1315790 0.0912160 0.8776104), wk = 0.0027027 k( 362) = ( 0.1447368 0.1003376 0.8776104), wk = 0.0027027 k( 363) = ( 0.1578947 0.1094593 0.8776104), wk = 0.0027027 k( 364) = ( 0.1710526 0.1185809 0.8776104), wk = 0.0027027 k( 365) = ( 0.1842105 0.1277025 0.8776104), wk = 0.0027027 k( 366) = ( 0.1973684 0.1368241 0.8776104), wk = 0.0027027 k( 367) = ( 0.2105263 0.1459457 0.8776104), wk = 0.0027027 k( 368) = ( 0.2236842 0.1550673 0.8776104), wk = 0.0027027 k( 369) = ( 0.2368421 0.1641889 0.8776104), wk = 0.0027027 k( 370) = ( 0.2500000 0.1733105 0.8776104), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0027027 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0027027 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0027027 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0027027 k( 6) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0027027 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0027027 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0027027 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0027027 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0027027 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027027 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027027 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0027027 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0027027 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0027027 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027027 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0027027 k( 18) = ( 0.0000000 0.0000000 0.1545454), wk = 0.0027027 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0027027 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0027027 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027027 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0027027 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027027 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0027027 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0027027 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027027 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0027027 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0027027 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0027027 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0027027 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027027 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0027027 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0027027 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027027 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0027027 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027027 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0027027 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0027027 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0027027 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0027027 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027027 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0027027 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0027027 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0027027 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027027 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027027 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0027027 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0027027 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0027027 k( 50) = ( 0.0000000 0.0000000 0.4454545), wk = 0.0027027 k( 51) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0027027 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0027027 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0027027 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0027027 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0027027 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 58) = ( -0.0085819 0.0085819 0.5000000), wk = 0.0027027 k( 59) = ( -0.0171637 0.0171637 0.5000000), wk = 0.0027027 k( 60) = ( -0.0257456 0.0257456 0.5000000), wk = 0.0027027 k( 61) = ( -0.0343275 0.0343275 0.5000000), wk = 0.0027027 k( 62) = ( -0.0429093 0.0429093 0.5000000), wk = 0.0027027 k( 63) = ( -0.0514912 0.0514912 0.5000000), wk = 0.0027027 k( 64) = ( -0.0600731 0.0600730 0.5000000), wk = 0.0027027 k( 65) = ( -0.0686549 0.0686549 0.5000000), wk = 0.0027027 k( 66) = ( -0.0772368 0.0772368 0.5000000), wk = 0.0027027 k( 67) = ( -0.0858186 0.0858186 0.5000000), wk = 0.0027027 k( 68) = ( -0.0944005 0.0944005 0.5000000), wk = 0.0027027 k( 69) = ( -0.1029824 0.1029824 0.5000000), wk = 0.0027027 k( 70) = ( -0.1115642 0.1115642 0.5000000), wk = 0.0027027 k( 71) = ( -0.1201461 0.1201461 0.5000000), wk = 0.0027027 k( 72) = ( -0.1201461 0.1201461 0.5000000), wk = 0.0027027 k( 73) = ( -0.1264770 0.1264770 0.4936691), wk = 0.0027027 k( 74) = ( -0.1328079 0.1328079 0.4873382), wk = 0.0027027 k( 75) = ( -0.1391388 0.1391388 0.4810073), wk = 0.0027027 k( 76) = ( -0.1454697 0.1454697 0.4746764), wk = 0.0027027 k( 77) = ( -0.1518006 0.1518006 0.4683455), wk = 0.0027027 k( 78) = ( -0.1581315 0.1581315 0.4620146), wk = 0.0027027 k( 79) = ( -0.1644624 0.1644624 0.4556837), wk = 0.0027027 k( 80) = ( -0.1707933 0.1707933 0.4493528), wk = 0.0027027 k( 81) = ( -0.1771242 0.1771242 0.4430219), wk = 0.0027027 k( 82) = ( -0.1834551 0.1834551 0.4366910), wk = 0.0027027 k( 83) = ( -0.1897860 0.1897860 0.4303601), wk = 0.0027027 k( 84) = ( -0.1961169 0.1961169 0.4240292), wk = 0.0027027 k( 85) = ( -0.2024478 0.2024478 0.4176983), wk = 0.0027027 k( 86) = ( -0.2087787 0.2087787 0.4113674), wk = 0.0027027 k( 87) = ( -0.2151096 0.2151096 0.4050365), wk = 0.0027027 k( 88) = ( -0.2214405 0.2214405 0.3987056), wk = 0.0027027 k( 89) = ( -0.2277714 0.2277714 0.3923747), wk = 0.0027027 k( 90) = ( -0.2341023 0.2341023 0.3860438), wk = 0.0027027 k( 91) = ( -0.2404332 0.2404332 0.3797129), wk = 0.0027027 k( 92) = ( -0.2467641 0.2467641 0.3733820), wk = 0.0027027 k( 93) = ( -0.2530950 0.2530950 0.3670511), wk = 0.0027027 k( 94) = ( -0.2594259 0.2594259 0.3607202), wk = 0.0027027 k( 95) = ( -0.2657568 0.2657568 0.3543893), wk = 0.0027027 k( 96) = ( -0.2720877 0.2720877 0.3480584), wk = 0.0027027 k( 97) = ( -0.2784186 0.2784186 0.3417275), wk = 0.0027027 k( 98) = ( -0.2847495 0.2847495 0.3353966), wk = 0.0027027 k( 99) = ( -0.2910803 0.2910803 0.3290657), wk = 0.0027027 k( 100) = ( -0.2974113 0.2974112 0.3227349), wk = 0.0027027 k( 101) = ( -0.3037421 0.3037421 0.3164039), wk = 0.0027027 k( 102) = ( -0.3100731 0.3100730 0.3100731), wk = 0.0027027 k( 103) = ( -0.3100731 0.3100730 0.3100731), wk = 0.0027027 k( 104) = ( -0.3036132 0.3036132 0.3036132), wk = 0.0027027 k( 105) = ( -0.2971533 0.2971533 0.2971533), wk = 0.0027027 k( 106) = ( -0.2906935 0.2906935 0.2906935), wk = 0.0027027 k( 107) = ( -0.2842336 0.2842336 0.2842336), wk = 0.0027027 k( 108) = ( -0.2777738 0.2777738 0.2777738), wk = 0.0027027 k( 109) = ( -0.2713139 0.2713139 0.2713139), wk = 0.0027027 k( 110) = ( -0.2648541 0.2648541 0.2648541), wk = 0.0027027 k( 111) = ( -0.2583942 0.2583942 0.2583942), wk = 0.0027027 k( 112) = ( -0.2519343 0.2519343 0.2519343), wk = 0.0027027 k( 113) = ( -0.2454745 0.2454745 0.2454745), wk = 0.0027027 k( 114) = ( -0.2390146 0.2390146 0.2390146), wk = 0.0027027 k( 115) = ( -0.2325548 0.2325548 0.2325548), wk = 0.0027027 k( 116) = ( -0.2260949 0.2260949 0.2260949), wk = 0.0027027 k( 117) = ( -0.2196351 0.2196351 0.2196351), wk = 0.0027027 k( 118) = ( -0.2131752 0.2131752 0.2131752), wk = 0.0027027 k( 119) = ( -0.2067154 0.2067154 0.2067154), wk = 0.0027027 k( 120) = ( -0.2002555 0.2002555 0.2002555), wk = 0.0027027 k( 121) = ( -0.1937957 0.1937957 0.1937957), wk = 0.0027027 k( 122) = ( -0.1873358 0.1873358 0.1873358), wk = 0.0027027 k( 123) = ( -0.1808760 0.1808760 0.1808760), wk = 0.0027027 k( 124) = ( -0.1744161 0.1744161 0.1744161), wk = 0.0027027 k( 125) = ( -0.1679562 0.1679562 0.1679562), wk = 0.0027027 k( 126) = ( -0.1614964 0.1614964 0.1614964), wk = 0.0027027 k( 127) = ( -0.1550365 0.1550365 0.1550365), wk = 0.0027027 k( 128) = ( -0.1485767 0.1485767 0.1485767), wk = 0.0027027 k( 129) = ( -0.1421168 0.1421168 0.1421168), wk = 0.0027027 k( 130) = ( -0.1356570 0.1356570 0.1356570), wk = 0.0027027 k( 131) = ( -0.1291971 0.1291971 0.1291971), wk = 0.0027027 k( 132) = ( -0.1227373 0.1227373 0.1227373), wk = 0.0027027 k( 133) = ( -0.1162774 0.1162774 0.1162774), wk = 0.0027027 k( 134) = ( -0.1098175 0.1098175 0.1098175), wk = 0.0027027 k( 135) = ( -0.1033577 0.1033577 0.1033577), wk = 0.0027027 k( 136) = ( -0.0968978 0.0968978 0.0968978), wk = 0.0027027 k( 137) = ( -0.0904380 0.0904380 0.0904380), wk = 0.0027027 k( 138) = ( -0.0839781 0.0839781 0.0839781), wk = 0.0027027 k( 139) = ( -0.0775183 0.0775183 0.0775183), wk = 0.0027027 k( 140) = ( -0.0710584 0.0710584 0.0710584), wk = 0.0027027 k( 141) = ( -0.0645986 0.0645986 0.0645986), wk = 0.0027027 k( 142) = ( -0.0581387 0.0581387 0.0581387), wk = 0.0027027 k( 143) = ( -0.0516788 0.0516788 0.0516788), wk = 0.0027027 k( 144) = ( -0.0452190 0.0452190 0.0452190), wk = 0.0027027 k( 145) = ( -0.0387591 0.0387591 0.0387591), wk = 0.0027027 k( 146) = ( -0.0322993 0.0322993 0.0322993), wk = 0.0027027 k( 147) = ( -0.0258394 0.0258394 0.0258394), wk = 0.0027027 k( 148) = ( -0.0193796 0.0193796 0.0193796), wk = 0.0027027 k( 149) = ( -0.0129197 0.0129197 0.0129197), wk = 0.0027027 k( 150) = ( -0.0064599 0.0064599 0.0064599), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 153) = ( 0.0131579 0.0131579 -0.0131579), wk = 0.0027027 k( 154) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0027027 k( 155) = ( 0.0394737 0.0394737 -0.0394737), wk = 0.0027027 k( 156) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0027027 k( 157) = ( 0.0657895 0.0657895 -0.0657895), wk = 0.0027027 k( 158) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0027027 k( 159) = ( 0.0921053 0.0921053 -0.0921053), wk = 0.0027027 k( 160) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0027027 k( 161) = ( 0.1184210 0.1184210 -0.1184210), wk = 0.0027027 k( 162) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0027027 k( 163) = ( 0.1447368 0.1447368 -0.1447368), wk = 0.0027027 k( 164) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0027027 k( 165) = ( 0.1710526 0.1710526 -0.1710526), wk = 0.0027027 k( 166) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0027027 k( 167) = ( 0.1973684 0.1973684 -0.1973684), wk = 0.0027027 k( 168) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0027027 k( 169) = ( 0.2236842 0.2236842 -0.2236842), wk = 0.0027027 k( 170) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0027027 k( 171) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027027 k( 172) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0027027 k( 173) = ( 0.2763158 0.2763158 -0.2763158), wk = 0.0027027 k( 174) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0027027 k( 175) = ( 0.3026316 0.3026316 -0.3026316), wk = 0.0027027 k( 176) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0027027 k( 177) = ( 0.3289474 0.3289474 -0.3289474), wk = 0.0027027 k( 178) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0027027 k( 179) = ( 0.3552632 0.3552632 -0.3552632), wk = 0.0027027 k( 180) = ( 0.3684211 0.3684210 -0.3684210), wk = 0.0027027 k( 181) = ( 0.3815789 0.3815789 -0.3815789), wk = 0.0027027 k( 182) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0027027 k( 183) = ( 0.4078947 0.4078947 -0.4078947), wk = 0.0027027 k( 184) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0027027 k( 185) = ( 0.4342105 0.4342105 -0.4342105), wk = 0.0027027 k( 186) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0027027 k( 187) = ( 0.4605263 0.4605263 -0.4605263), wk = 0.0027027 k( 188) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0027027 k( 189) = ( 0.4868421 0.4868421 -0.4868421), wk = 0.0027027 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027027 k( 191) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027027 k( 192) = ( 0.4936691 0.5063309 -0.4936691), wk = 0.0027027 k( 193) = ( 0.4873382 0.5126618 -0.4873382), wk = 0.0027027 k( 194) = ( 0.4810073 0.5189927 -0.4810073), wk = 0.0027027 k( 195) = ( 0.4746764 0.5253236 -0.4746764), wk = 0.0027027 k( 196) = ( 0.4683455 0.5316545 -0.4683455), wk = 0.0027027 k( 197) = ( 0.4620146 0.5379854 -0.4620146), wk = 0.0027027 k( 198) = ( 0.4556837 0.5443163 -0.4556837), wk = 0.0027027 k( 199) = ( 0.4493528 0.5506472 -0.4493528), wk = 0.0027027 k( 200) = ( 0.4430219 0.5569781 -0.4430219), wk = 0.0027027 k( 201) = ( 0.4366910 0.5633090 -0.4366910), wk = 0.0027027 k( 202) = ( 0.4303601 0.5696399 -0.4303601), wk = 0.0027027 k( 203) = ( 0.4240292 0.5759708 -0.4240292), wk = 0.0027027 k( 204) = ( 0.4176983 0.5823017 -0.4176983), wk = 0.0027027 k( 205) = ( 0.4113674 0.5886326 -0.4113674), wk = 0.0027027 k( 206) = ( 0.4050365 0.5949635 -0.4050365), wk = 0.0027027 k( 207) = ( 0.3987056 0.6012944 -0.3987056), wk = 0.0027027 k( 208) = ( 0.3923747 0.6076253 -0.3923747), wk = 0.0027027 k( 209) = ( 0.3860438 0.6139562 -0.3860438), wk = 0.0027027 k( 210) = ( 0.3797129 0.6202871 -0.3797129), wk = 0.0027027 k( 211) = ( 0.3733820 0.6266180 -0.3733820), wk = 0.0027027 k( 212) = ( 0.3670511 0.6329489 -0.3670511), wk = 0.0027027 k( 213) = ( 0.3607202 0.6392798 -0.3607202), wk = 0.0027027 k( 214) = ( 0.3543893 0.6456107 -0.3543893), wk = 0.0027027 k( 215) = ( 0.3480584 0.6519416 -0.3480584), wk = 0.0027027 k( 216) = ( 0.3417275 0.6582725 -0.3417275), wk = 0.0027027 k( 217) = ( 0.3353966 0.6646034 -0.3353966), wk = 0.0027027 k( 218) = ( 0.3290657 0.6709343 -0.3290657), wk = 0.0027027 k( 219) = ( 0.3227349 0.6772651 -0.3227349), wk = 0.0027027 k( 220) = ( 0.3164039 0.6835960 -0.3164039), wk = 0.0027027 k( 221) = ( 0.3100731 0.6899270 -0.3100730), wk = 0.0027027 k( 222) = ( 0.3100731 0.6899270 -0.3100730), wk = 0.0027027 k( 223) = ( 0.2953077 0.6808828 -0.2953077), wk = 0.0027027 k( 224) = ( 0.2805423 0.6718387 -0.2805423), wk = 0.0027027 k( 225) = ( 0.2657769 0.6627945 -0.2657769), wk = 0.0027027 k( 226) = ( 0.2510115 0.6537504 -0.2510115), wk = 0.0027027 k( 227) = ( 0.2362461 0.6447063 -0.2362461), wk = 0.0027027 k( 228) = ( 0.2214808 0.6356621 -0.2214807), wk = 0.0027027 k( 229) = ( 0.2067154 0.6266180 -0.2067154), wk = 0.0027027 k( 230) = ( 0.1919500 0.6175738 -0.1919500), wk = 0.0027027 k( 231) = ( 0.1771846 0.6085297 -0.1771846), wk = 0.0027027 k( 232) = ( 0.1624192 0.5994855 -0.1624192), wk = 0.0027027 k( 233) = ( 0.1476538 0.5904414 -0.1476538), wk = 0.0027027 k( 234) = ( 0.1328884 0.5813973 -0.1328884), wk = 0.0027027 k( 235) = ( 0.1181231 0.5723531 -0.1181231), wk = 0.0027027 k( 236) = ( 0.1033577 0.5633090 -0.1033577), wk = 0.0027027 k( 237) = ( 0.0885923 0.5542648 -0.0885923), wk = 0.0027027 k( 238) = ( 0.0738269 0.5452207 -0.0738269), wk = 0.0027027 k( 239) = ( 0.0590615 0.5361766 -0.0590615), wk = 0.0027027 k( 240) = ( 0.0442961 0.5271324 -0.0442961), wk = 0.0027027 k( 241) = ( 0.0295308 0.5180883 -0.0295308), wk = 0.0027027 k( 242) = ( 0.0147654 0.5090441 -0.0147654), wk = 0.0027027 k( 243) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 244) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 245) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0027027 k( 246) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0027027 k( 247) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0027027 k( 248) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0027027 k( 249) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0027027 k( 250) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0027027 k( 251) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0027027 k( 252) = ( 0.0512821 0.4487179 0.0512820), wk = 0.0027027 k( 253) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0027027 k( 254) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0027027 k( 255) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0027027 k( 256) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0027027 k( 257) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0027027 k( 258) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0027027 k( 259) = ( 0.0961538 0.4038461 0.0961538), wk = 0.0027027 k( 260) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0027027 k( 261) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0027027 k( 262) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0027027 k( 263) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0027027 k( 264) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0027027 k( 265) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0027027 k( 266) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0027027 k( 267) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0027027 k( 268) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0027027 k( 269) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0027027 k( 270) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0027027 k( 271) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0027027 k( 272) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0027027 k( 273) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0027027 k( 274) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0027027 k( 275) = ( 0.1987180 0.3012821 0.1987179), wk = 0.0027027 k( 276) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0027027 k( 277) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0027027 k( 278) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0027027 k( 279) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0027027 k( 280) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0027027 k( 281) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0027027 k( 282) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0027027 k( 283) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027027 k( 284) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027027 k( 285) = ( 0.2608696 0.2608696 0.2339067), wk = 0.0027027 k( 286) = ( 0.2717391 0.2717391 0.2178134), wk = 0.0027027 k( 287) = ( 0.2826087 0.2826087 0.2017201), wk = 0.0027027 k( 288) = ( 0.2934783 0.2934783 0.1856268), wk = 0.0027027 k( 289) = ( 0.3043478 0.3043478 0.1695335), wk = 0.0027027 k( 290) = ( 0.3152174 0.3152174 0.1534401), wk = 0.0027027 k( 291) = ( 0.3260870 0.3260870 0.1373468), wk = 0.0027027 k( 292) = ( 0.3369565 0.3369565 0.1212535), wk = 0.0027027 k( 293) = ( 0.3478261 0.3478261 0.1051602), wk = 0.0027027 k( 294) = ( 0.3586956 0.3586956 0.0890669), wk = 0.0027027 k( 295) = ( 0.3695652 0.3695652 0.0729736), wk = 0.0027027 k( 296) = ( 0.3804348 0.3804348 0.0568803), wk = 0.0027027 k( 297) = ( 0.3913044 0.3913044 0.0407870), wk = 0.0027027 k( 298) = ( 0.4021739 0.4021739 0.0246937), wk = 0.0027027 k( 299) = ( 0.4130435 0.4130435 0.0086004), wk = 0.0027027 k( 300) = ( 0.4239130 0.4239130 -0.0074929), wk = 0.0027027 k( 301) = ( 0.4347826 0.4347826 -0.0235863), wk = 0.0027027 k( 302) = ( 0.4456522 0.4456522 -0.0396796), wk = 0.0027027 k( 303) = ( 0.4565217 0.4565217 -0.0557729), wk = 0.0027027 k( 304) = ( 0.4673913 0.4673913 -0.0718662), wk = 0.0027027 k( 305) = ( 0.4782609 0.4782609 -0.0879595), wk = 0.0027027 k( 306) = ( 0.4891304 0.4891304 -0.1040528), wk = 0.0027027 k( 307) = ( 0.5000000 0.5000000 -0.1201461), wk = 0.0027027 k( 308) = ( 0.5000000 0.5000000 -0.1201461), wk = 0.0027027 k( 309) = ( 0.5000000 0.5000000 -0.1291902), wk = 0.0027027 k( 310) = ( 0.5000000 0.5000000 -0.1382344), wk = 0.0027027 k( 311) = ( 0.5000000 0.5000000 -0.1472785), wk = 0.0027027 k( 312) = ( 0.5000000 0.5000000 -0.1563227), wk = 0.0027027 k( 313) = ( 0.5000000 0.5000000 -0.1653668), wk = 0.0027027 k( 314) = ( 0.5000000 0.5000000 -0.1744109), wk = 0.0027027 k( 315) = ( 0.5000000 0.5000000 -0.1834551), wk = 0.0027027 k( 316) = ( 0.5000000 0.5000000 -0.1924992), wk = 0.0027027 k( 317) = ( 0.5000000 0.5000000 -0.2015434), wk = 0.0027027 k( 318) = ( 0.5000000 0.5000000 -0.2105875), wk = 0.0027027 k( 319) = ( 0.5000000 0.5000000 -0.2196316), wk = 0.0027027 k( 320) = ( 0.5000000 0.5000000 -0.2286758), wk = 0.0027027 k( 321) = ( 0.5000000 0.5000000 -0.2377199), wk = 0.0027027 k( 322) = ( 0.5000000 0.5000000 -0.2467641), wk = 0.0027027 k( 323) = ( 0.5000000 0.5000000 -0.2558082), wk = 0.0027027 k( 324) = ( 0.5000000 0.5000000 -0.2648523), wk = 0.0027027 k( 325) = ( 0.5000000 0.5000000 -0.2738965), wk = 0.0027027 k( 326) = ( 0.5000000 0.5000000 -0.2829406), wk = 0.0027027 k( 327) = ( 0.5000000 0.5000000 -0.2919848), wk = 0.0027027 k( 328) = ( 0.5000000 0.5000000 -0.3010289), wk = 0.0027027 k( 329) = ( 0.5000000 0.5000000 -0.3100730), wk = 0.0027027 k( 330) = ( 0.5000000 0.5000000 -0.3191172), wk = 0.0027027 k( 331) = ( 0.5000000 0.5000000 -0.3281613), wk = 0.0027027 k( 332) = ( 0.5000000 0.5000000 -0.3372055), wk = 0.0027027 k( 333) = ( 0.5000000 0.5000000 -0.3462496), wk = 0.0027027 k( 334) = ( 0.5000000 0.5000000 -0.3552937), wk = 0.0027027 k( 335) = ( 0.5000000 0.5000000 -0.3643379), wk = 0.0027027 k( 336) = ( 0.5000000 0.5000000 -0.3733820), wk = 0.0027027 k( 337) = ( 0.5000000 0.5000000 -0.3824262), wk = 0.0027027 k( 338) = ( 0.5000000 0.5000000 -0.3914703), wk = 0.0027027 k( 339) = ( 0.5000000 0.5000000 -0.4005145), wk = 0.0027027 k( 340) = ( 0.5000000 0.5000000 -0.4095586), wk = 0.0027027 k( 341) = ( 0.5000000 0.5000000 -0.4186027), wk = 0.0027027 k( 342) = ( 0.5000000 0.5000000 -0.4276469), wk = 0.0027027 k( 343) = ( 0.5000000 0.5000000 -0.4366910), wk = 0.0027027 k( 344) = ( 0.5000000 0.5000000 -0.4457352), wk = 0.0027027 k( 345) = ( 0.5000000 0.5000000 -0.4547793), wk = 0.0027027 k( 346) = ( 0.5000000 0.5000000 -0.4638234), wk = 0.0027027 k( 347) = ( 0.5000000 0.5000000 -0.4728676), wk = 0.0027027 k( 348) = ( 0.5000000 0.5000000 -0.4819117), wk = 0.0027027 k( 349) = ( 0.5000000 0.5000000 -0.4909559), wk = 0.0027027 k( 350) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027027 k( 351) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 352) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0027027 k( 353) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0027027 k( 354) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0027027 k( 355) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0027027 k( 356) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0027027 k( 357) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0027027 k( 358) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0027027 k( 359) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0027027 k( 360) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0027027 k( 361) = ( 0.1315790 0.1315790 0.3684210), wk = 0.0027027 k( 362) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0027027 k( 363) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0027027 k( 364) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0027027 k( 365) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0027027 k( 366) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0027027 k( 367) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0027027 k( 368) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0027027 k( 369) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0027027 k( 370) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027027 Dense grid: 205999 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 46821 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 258, 44) NL pseudopotentials 0.30 Mb ( 129, 152) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.03 Mb ( 4292) G-vector shells 0.02 Mb ( 1998) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 258, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.20 Mb ( 152, 2, 44) The potential is recalculated from file : ./BeSiN2.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 45.7 secs Computing kpt #: 2 total cpu time spent up to now is 48.4 secs Computing kpt #: 3 total cpu time spent up to now is 50.7 secs Computing kpt #: 4 total cpu time spent up to now is 53.0 secs Computing kpt #: 5 total cpu time spent up to now is 55.2 secs Computing kpt #: 6 total cpu time spent up to now is 57.5 secs Computing kpt #: 7 total cpu time spent up to now is 59.8 secs Computing kpt #: 8 total cpu time spent up to now is 62.0 secs Computing kpt #: 9 total cpu time spent up to now is 64.2 secs Computing kpt #: 10 total cpu time spent up to now is 66.3 secs Computing kpt #: 11 total cpu time spent up to now is 68.2 secs Computing kpt #: 12 total cpu time spent up to now is 70.1 secs Computing kpt #: 13 total cpu time spent up to now is 71.9 secs Computing kpt #: 14 total cpu time spent up to now is 73.8 secs Computing kpt #: 15 total cpu time spent up to now is 75.7 secs Computing kpt #: 16 total cpu time spent up to now is 77.5 secs Computing kpt #: 17 total cpu time spent up to now is 79.3 secs Computing kpt #: 18 total cpu time spent up to now is 81.2 secs Computing kpt #: 19 total cpu time spent up to now is 83.0 secs Computing kpt #: 20 total cpu time spent up to now is 84.7 secs Computing kpt #: 21 total cpu time spent up to now is 86.5 secs Computing kpt #: 22 total cpu time spent up to now is 88.3 secs Computing kpt #: 23 total cpu time spent up to now is 90.2 secs Computing kpt #: 24 total cpu time spent up to now is 92.1 secs Computing kpt #: 25 total cpu time spent up to now is 94.3 secs Computing kpt #: 26 total cpu time spent up to now is 96.0 secs Computing kpt #: 27 total cpu time spent up to now is 97.7 secs Computing kpt #: 28 total cpu time spent up to now is 99.7 secs Computing kpt #: 29 total cpu time spent up to now is 101.6 secs Computing kpt #: 30 total cpu time spent up to now is 103.6 secs Computing kpt #: 31 total cpu time spent up to now is 105.6 secs Computing kpt #: 32 total cpu time spent up to now is 107.5 secs Computing kpt #: 33 total cpu time spent up to now is 109.3 secs Computing kpt #: 34 total cpu time spent up to now is 111.1 secs Computing kpt #: 35 total cpu time spent up to now is 113.0 secs Computing kpt #: 36 total cpu time spent up to now is 114.8 secs Computing kpt #: 37 total cpu time spent up to now is 116.6 secs Computing kpt #: 38 total cpu time spent up to now is 118.5 secs Computing kpt #: 39 total cpu time spent up to now is 120.3 secs Computing kpt #: 40 total cpu time spent up to now is 122.1 secs Computing kpt #: 41 total cpu time spent up to now is 124.0 secs Computing kpt #: 42 total cpu time spent up to now is 125.8 secs Computing kpt #: 43 total cpu time spent up to now is 127.6 secs Computing kpt #: 44 total cpu time spent up to now is 129.5 secs Computing kpt #: 45 total cpu time spent up to now is 131.3 secs Computing kpt #: 46 total cpu time spent up to now is 133.1 secs Computing kpt #: 47 total cpu time spent up to now is 135.1 secs Computing kpt #: 48 total cpu time spent up to now is 137.2 secs Computing kpt #: 49 total cpu time spent up to now is 139.0 secs Computing kpt #: 50 total cpu time spent up to now is 140.8 secs Computing kpt #: 51 total cpu time spent up to now is 142.8 secs Computing kpt #: 52 total cpu time spent up to now is 144.6 secs Computing kpt #: 53 total cpu time spent up to now is 146.5 secs Computing kpt #: 54 total cpu time spent up to now is 148.3 secs Computing kpt #: 55 total cpu time spent up to now is 150.1 secs Computing kpt #: 56 total cpu time spent up to now is 151.9 secs Computing kpt #: 57 total cpu time spent up to now is 153.8 secs Computing kpt #: 58 total cpu time spent up to now is 155.6 secs Computing kpt #: 59 total cpu time spent up to now is 157.4 secs Computing kpt #: 60 total cpu time spent up to now is 159.3 secs Computing kpt #: 61 total cpu time spent up to now is 161.2 secs Computing kpt #: 62 total cpu time spent up to now is 163.0 secs Computing kpt #: 63 total cpu time spent up to now is 164.9 secs Computing kpt #: 64 total cpu time spent up to now is 166.7 secs Computing kpt #: 65 total cpu time spent up to now is 168.6 secs Computing kpt #: 66 total cpu time spent up to now is 170.4 secs Computing kpt #: 67 total cpu time spent up to now is 172.3 secs Computing kpt #: 68 total cpu time spent up to now is 174.1 secs Computing kpt #: 69 total cpu time spent up to now is 175.9 secs Computing kpt #: 70 total cpu time spent up to now is 177.8 secs Computing kpt #: 71 total cpu time spent up to now is 179.8 secs Computing kpt #: 72 total cpu time spent up to now is 181.7 secs Computing kpt #: 73 total cpu time spent up to now is 183.7 secs Computing kpt #: 74 total cpu time spent up to now is 185.7 secs Computing kpt #: 75 total cpu time spent up to now is 187.6 secs Computing kpt #: 76 total cpu time spent up to now is 189.5 secs Computing kpt #: 77 total cpu time spent up to now is 191.5 secs Computing kpt #: 78 total cpu time spent up to now is 193.4 secs Computing kpt #: 79 total cpu time spent up to now is 195.3 secs Computing kpt #: 80 total cpu time spent up to now is 197.2 secs Computing kpt #: 81 total cpu time spent up to now is 199.1 secs Computing kpt #: 82 total cpu time spent up to now is 201.0 secs Computing kpt #: 83 total cpu time spent up to now is 202.8 secs Computing kpt #: 84 total cpu time spent up to now is 204.7 secs Computing kpt #: 85 total cpu time spent up to now is 206.7 secs Computing kpt #: 86 total cpu time spent up to now is 208.6 secs Computing kpt #: 87 total cpu time spent up to now is 210.7 secs Computing kpt #: 88 total cpu time spent up to now is 212.5 secs Computing kpt #: 89 total cpu time spent up to now is 214.5 secs Computing kpt #: 90 total cpu time spent up to now is 216.3 secs Computing kpt #: 91 total cpu time spent up to now is 218.2 secs Computing kpt #: 92 total cpu time spent up to now is 220.0 secs Computing kpt #: 93 total cpu time spent up to now is 221.9 secs Computing kpt #: 94 total cpu time spent up to now is 223.8 secs Computing kpt #: 95 total cpu time spent up to now is 225.8 secs Computing kpt #: 96 total cpu time spent up to now is 228.1 secs Computing kpt #: 97 total cpu time spent up to now is 230.0 secs Computing kpt #: 98 total cpu time spent up to now is 232.2 secs Computing kpt #: 99 total cpu time spent up to now is 234.3 secs Computing kpt #: 100 total cpu time spent up to now is 236.4 secs Computing kpt #: 101 total cpu time spent up to now is 238.3 secs Computing kpt #: 102 total cpu time spent up to now is 240.2 secs Computing kpt #: 103 total cpu time spent up to now is 242.0 secs Computing kpt #: 104 total cpu time spent up to now is 244.0 secs Computing kpt #: 105 total cpu time spent up to now is 245.8 secs Computing kpt #: 106 total cpu time spent up to now is 247.7 secs Computing kpt #: 107 total cpu time spent up to now is 249.5 secs Computing kpt #: 108 total cpu time spent up to now is 251.4 secs Computing kpt #: 109 total cpu time spent up to now is 253.3 secs Computing kpt #: 110 total cpu time spent up to now is 255.2 secs Computing kpt #: 111 total cpu time spent up to now is 257.7 secs Computing kpt #: 112 total cpu time spent up to now is 259.5 secs Computing kpt #: 113 total cpu time spent up to now is 261.4 secs Computing kpt #: 114 total cpu time spent up to now is 263.3 secs Computing kpt #: 115 total cpu time spent up to now is 265.2 secs Computing kpt #: 116 total cpu time spent up to now is 267.1 secs Computing kpt #: 117 total cpu time spent up to now is 269.0 secs Computing kpt #: 118 total cpu time spent up to now is 270.9 secs Computing kpt #: 119 total cpu time spent up to now is 272.8 secs Computing kpt #: 120 total cpu time spent up to now is 274.8 secs Computing kpt #: 121 total cpu time spent up to now is 276.7 secs Computing kpt #: 122 total cpu time spent up to now is 278.6 secs Computing kpt #: 123 total cpu time spent up to now is 280.5 secs Computing kpt #: 124 total cpu time spent up to now is 282.4 secs Computing kpt #: 125 total cpu time spent up to now is 284.3 secs Computing kpt #: 126 total cpu time spent up to now is 286.2 secs Computing kpt #: 127 total cpu time spent up to now is 288.4 secs Computing kpt #: 128 total cpu time spent up to now is 290.7 secs Computing kpt #: 129 total cpu time spent up to now is 292.5 secs Computing kpt #: 130 total cpu time spent up to now is 294.4 secs Computing kpt #: 131 total cpu time spent up to now is 296.3 secs Computing kpt #: 132 total cpu time spent up to now is 298.2 secs Computing kpt #: 133 total cpu time spent up to now is 300.1 secs Computing kpt #: 134 total cpu time spent up to now is 302.0 secs Computing kpt #: 135 total cpu time spent up to now is 304.2 secs Computing kpt #: 136 total cpu time spent up to now is 306.1 secs Computing kpt #: 137 total cpu time spent up to now is 307.9 secs Computing kpt #: 138 total cpu time spent up to now is 310.2 secs Computing kpt #: 139 total cpu time spent up to now is 312.1 secs Computing kpt #: 140 total cpu time spent up to now is 314.2 secs Computing kpt #: 141 total cpu time spent up to now is 316.4 secs Computing kpt #: 142 total cpu time spent up to now is 318.7 secs Computing kpt #: 143 total cpu time spent up to now is 321.0 secs Computing kpt #: 144 total cpu time spent up to now is 323.2 secs Computing kpt #: 145 total cpu time spent up to now is 325.5 secs Computing kpt #: 146 total cpu time spent up to now is 327.7 secs Computing kpt #: 147 total cpu time spent up to now is 330.0 secs Computing kpt #: 148 total cpu time spent up to now is 332.2 secs Computing kpt #: 149 total cpu time spent up to now is 334.6 secs Computing kpt #: 150 total cpu time spent up to now is 336.9 secs Computing kpt #: 151 total cpu time spent up to now is 338.8 secs Computing kpt #: 152 total cpu time spent up to now is 340.7 secs Computing kpt #: 153 total cpu time spent up to now is 343.8 secs Computing kpt #: 154 total cpu time spent up to now is 347.9 secs Computing kpt #: 155 total cpu time spent up to now is 350.4 secs Computing kpt #: 156 total cpu time spent up to now is 352.8 secs Computing kpt #: 157 total cpu time spent up to now is 355.1 secs Computing kpt #: 158 total cpu time spent up to now is 357.4 secs Computing kpt #: 159 total cpu time spent up to now is 359.6 secs Computing kpt #: 160 total cpu time spent up to now is 361.8 secs Computing kpt #: 161 total cpu time spent up to now is 364.1 secs Computing kpt #: 162 total cpu time spent up to now is 366.3 secs Computing kpt #: 163 total cpu time spent up to now is 368.4 secs Computing kpt #: 164 total cpu time spent up to now is 370.7 secs Computing kpt #: 165 total cpu time spent up to now is 372.9 secs Computing kpt #: 166 total cpu time spent up to now is 375.5 secs Computing kpt #: 167 total cpu time spent up to now is 378.0 secs Computing kpt #: 168 total cpu time spent up to now is 380.1 secs Computing kpt #: 169 total cpu time spent up to now is 382.3 secs Computing kpt #: 170 total cpu time spent up to now is 384.5 secs Computing kpt #: 171 total cpu time spent up to now is 386.8 secs Computing kpt #: 172 total cpu time spent up to now is 389.0 secs Computing kpt #: 173 total cpu time spent up to now is 391.1 secs Computing kpt #: 174 total cpu time spent up to now is 393.2 secs Computing kpt #: 175 total cpu time spent up to now is 395.3 secs Computing kpt #: 176 total cpu time spent up to now is 397.5 secs Computing kpt #: 177 total cpu time spent up to now is 399.4 secs Computing kpt #: 178 total cpu time spent up to now is 401.2 secs Computing kpt #: 179 total cpu time spent up to now is 403.1 secs Computing kpt #: 180 total cpu time spent up to now is 404.9 secs Computing kpt #: 181 total cpu time spent up to now is 406.8 secs Computing kpt #: 182 total cpu time spent up to now is 408.6 secs Computing kpt #: 183 total cpu time spent up to now is 410.4 secs Computing kpt #: 184 total cpu time spent up to now is 412.3 secs Computing kpt #: 185 total cpu time spent up to now is 414.1 secs Computing kpt #: 186 total cpu time spent up to now is 415.9 secs Computing kpt #: 187 total cpu time spent up to now is 417.8 secs Computing kpt #: 188 total cpu time spent up to now is 419.6 secs Computing kpt #: 189 total cpu time spent up to now is 421.4 secs Computing kpt #: 190 total cpu time spent up to now is 423.4 secs Computing kpt #: 191 total cpu time spent up to now is 425.2 secs Computing kpt #: 192 total cpu time spent up to now is 427.0 secs Computing kpt #: 193 total cpu time spent up to now is 428.8 secs Computing kpt #: 194 total cpu time spent up to now is 430.7 secs Computing kpt #: 195 total cpu time spent up to now is 432.6 secs Computing kpt #: 196 total cpu time spent up to now is 434.6 secs Computing kpt #: 197 total cpu time spent up to now is 436.5 secs Computing kpt #: 198 total cpu time spent up to now is 438.5 secs Computing kpt #: 199 total cpu time spent up to now is 440.3 secs Computing kpt #: 200 total cpu time spent up to now is 442.1 secs Computing kpt #: 201 total cpu time spent up to now is 444.0 secs Computing kpt #: 202 total cpu time spent up to now is 445.9 secs Computing kpt #: 203 total cpu time spent up to now is 447.7 secs Computing kpt #: 204 total cpu time spent up to now is 449.6 secs Computing kpt #: 205 total cpu time spent up to now is 451.4 secs Computing kpt #: 206 total cpu time spent up to now is 453.3 secs Computing kpt #: 207 total cpu time spent up to now is 455.1 secs Computing kpt #: 208 total cpu time spent up to now is 457.0 secs Computing kpt #: 209 total cpu time spent up to now is 458.8 secs Computing kpt #: 210 total cpu time spent up to now is 460.7 secs Computing kpt #: 211 total cpu time spent up to now is 462.5 secs Computing kpt #: 212 total cpu time spent up to now is 464.4 secs Computing kpt #: 213 total cpu time spent up to now is 466.5 secs Computing kpt #: 214 total cpu time spent up to now is 468.4 secs Computing kpt #: 215 total cpu time spent up to now is 470.3 secs Computing kpt #: 216 total cpu time spent up to now is 472.2 secs Computing kpt #: 217 total cpu time spent up to now is 474.0 secs Computing kpt #: 218 total cpu time spent up to now is 475.9 secs Computing kpt #: 219 total cpu time spent up to now is 477.9 secs Computing kpt #: 220 total cpu time spent up to now is 479.7 secs Computing kpt #: 221 total cpu time spent up to now is 481.6 secs Computing kpt #: 222 total cpu time spent up to now is 483.5 secs Computing kpt #: 223 total cpu time spent up to now is 485.7 secs Computing kpt #: 224 total cpu time spent up to now is 487.8 secs Computing kpt #: 225 total cpu time spent up to now is 489.7 secs Computing kpt #: 226 total cpu time spent up to now is 491.8 secs Computing kpt #: 227 total cpu time spent up to now is 494.0 secs Computing kpt #: 228 total cpu time spent up to now is 496.1 secs Computing kpt #: 229 total cpu time spent up to now is 498.3 secs Computing kpt #: 230 total cpu time spent up to now is 500.2 secs Computing kpt #: 231 total cpu time spent up to now is 502.5 secs Computing kpt #: 232 total cpu time spent up to now is 504.7 secs Computing kpt #: 233 total cpu time spent up to now is 506.9 secs Computing kpt #: 234 total cpu time spent up to now is 509.5 secs Computing kpt #: 235 total cpu time spent up to now is 511.8 secs Computing kpt #: 236 total cpu time spent up to now is 514.0 secs Computing kpt #: 237 total cpu time spent up to now is 516.2 secs Computing kpt #: 238 total cpu time spent up to now is 518.5 secs Computing kpt #: 239 total cpu time spent up to now is 520.9 secs Computing kpt #: 240 total cpu time spent up to now is 523.0 secs Computing kpt #: 241 total cpu time spent up to now is 525.1 secs Computing kpt #: 242 total cpu time spent up to now is 527.3 secs Computing kpt #: 243 total cpu time spent up to now is 529.4 secs Computing kpt #: 244 total cpu time spent up to now is 531.5 secs Computing kpt #: 245 total cpu time spent up to now is 533.8 secs Computing kpt #: 246 total cpu time spent up to now is 535.9 secs Computing kpt #: 247 total cpu time spent up to now is 538.0 secs Computing kpt #: 248 total cpu time spent up to now is 539.9 secs Computing kpt #: 249 total cpu time spent up to now is 542.2 secs Computing kpt #: 250 total cpu time spent up to now is 544.3 secs Computing kpt #: 251 total cpu time spent up to now is 546.5 secs Computing kpt #: 252 total cpu time spent up to now is 548.6 secs Computing kpt #: 253 total cpu time spent up to now is 550.7 secs Computing kpt #: 254 total cpu time spent up to now is 552.6 secs Computing kpt #: 255 total cpu time spent up to now is 554.4 secs Computing kpt #: 256 total cpu time spent up to now is 556.5 secs Computing kpt #: 257 total cpu time spent up to now is 558.4 secs Computing kpt #: 258 total cpu time spent up to now is 560.3 secs Computing kpt #: 259 total cpu time spent up to now is 562.2 secs Computing kpt #: 260 total cpu time spent up to now is 564.1 secs Computing kpt #: 261 total cpu time spent up to now is 566.0 secs Computing kpt #: 262 total cpu time spent up to now is 568.0 secs Computing kpt #: 263 total cpu time spent up to now is 569.9 secs Computing kpt #: 264 total cpu time spent up to now is 571.8 secs Computing kpt #: 265 total cpu time spent up to now is 573.8 secs Computing kpt #: 266 total cpu time spent up to now is 575.8 secs Computing kpt #: 267 total cpu time spent up to now is 577.6 secs Computing kpt #: 268 total cpu time spent up to now is 579.6 secs Computing kpt #: 269 total cpu time spent up to now is 581.4 secs Computing kpt #: 270 total cpu time spent up to now is 583.3 secs Computing kpt #: 271 total cpu time spent up to now is 585.1 secs Computing kpt #: 272 total cpu time spent up to now is 587.0 secs Computing kpt #: 273 total cpu time spent up to now is 588.8 secs Computing kpt #: 274 total cpu time spent up to now is 590.6 secs Computing kpt #: 275 total cpu time spent up to now is 592.4 secs Computing kpt #: 276 total cpu time spent up to now is 594.3 secs Computing kpt #: 277 total cpu time spent up to now is 596.0 secs Computing kpt #: 278 total cpu time spent up to now is 597.9 secs Computing kpt #: 279 total cpu time spent up to now is 599.8 secs Computing kpt #: 280 total cpu time spent up to now is 601.5 secs Computing kpt #: 281 total cpu time spent up to now is 603.3 secs Computing kpt #: 282 total cpu time spent up to now is 605.2 secs Computing kpt #: 283 total cpu time spent up to now is 606.9 secs Computing kpt #: 284 total cpu time spent up to now is 608.8 secs Computing kpt #: 285 total cpu time spent up to now is 610.6 secs Computing kpt #: 286 total cpu time spent up to now is 612.3 secs Computing kpt #: 287 total cpu time spent up to now is 614.1 secs Computing kpt #: 288 total cpu time spent up to now is 616.0 secs Computing kpt #: 289 total cpu time spent up to now is 617.9 secs Computing kpt #: 290 total cpu time spent up to now is 619.8 secs Computing kpt #: 291 total cpu time spent up to now is 621.6 secs Computing kpt #: 292 total cpu time spent up to now is 623.5 secs Computing kpt #: 293 total cpu time spent up to now is 625.3 secs Computing kpt #: 294 total cpu time spent up to now is 627.2 secs Computing kpt #: 295 total cpu time spent up to now is 629.1 secs Computing kpt #: 296 total cpu time spent up to now is 630.9 secs Computing kpt #: 297 total cpu time spent up to now is 632.8 secs Computing kpt #: 298 total cpu time spent up to now is 634.7 secs Computing kpt #: 299 total cpu time spent up to now is 636.6 secs Computing kpt #: 300 total cpu time spent up to now is 638.4 secs Computing kpt #: 301 total cpu time spent up to now is 640.3 secs Computing kpt #: 302 total cpu time spent up to now is 643.5 secs Computing kpt #: 303 total cpu time spent up to now is 646.8 secs Computing kpt #: 304 total cpu time spent up to now is 648.9 secs Computing kpt #: 305 total cpu time spent up to now is 650.8 secs Computing kpt #: 306 total cpu time spent up to now is 652.7 secs Computing kpt #: 307 total cpu time spent up to now is 654.5 secs Computing kpt #: 308 total cpu time spent up to now is 656.4 secs Computing kpt #: 309 total cpu time spent up to now is 658.4 secs Computing kpt #: 310 total cpu time spent up to now is 660.3 secs Computing kpt #: 311 total cpu time spent up to now is 662.2 secs Computing kpt #: 312 total cpu time spent up to now is 664.2 secs Computing kpt #: 313 total cpu time spent up to now is 666.0 secs Computing kpt #: 314 total cpu time spent up to now is 667.9 secs Computing kpt #: 315 total cpu time spent up to now is 669.8 secs Computing kpt #: 316 total cpu time spent up to now is 671.7 secs Computing kpt #: 317 total cpu time spent up to now is 673.5 secs Computing kpt #: 318 total cpu time spent up to now is 675.5 secs Computing kpt #: 319 total cpu time spent up to now is 677.4 secs Computing kpt #: 320 total cpu time spent up to now is 679.2 secs Computing kpt #: 321 total cpu time spent up to now is 681.1 secs Computing kpt #: 322 total cpu time spent up to now is 683.0 secs Computing kpt #: 323 total cpu time spent up to now is 684.8 secs Computing kpt #: 324 total cpu time spent up to now is 686.8 secs Computing kpt #: 325 total cpu time spent up to now is 688.7 secs Computing kpt #: 326 total cpu time spent up to now is 690.5 secs Computing kpt #: 327 total cpu time spent up to now is 692.3 secs Computing kpt #: 328 total cpu time spent up to now is 694.2 secs Computing kpt #: 329 total cpu time spent up to now is 696.0 secs Computing kpt #: 330 total cpu time spent up to now is 697.8 secs Computing kpt #: 331 total cpu time spent up to now is 699.7 secs Computing kpt #: 332 total cpu time spent up to now is 701.6 secs Computing kpt #: 333 total cpu time spent up to now is 703.4 secs Computing kpt #: 334 total cpu time spent up to now is 705.4 secs Computing kpt #: 335 total cpu time spent up to now is 707.3 secs Computing kpt #: 336 total cpu time spent up to now is 709.1 secs Computing kpt #: 337 total cpu time spent up to now is 711.0 secs Computing kpt #: 338 total cpu time spent up to now is 712.8 secs Computing kpt #: 339 total cpu time spent up to now is 714.7 secs Computing kpt #: 340 total cpu time spent up to now is 716.7 secs Computing kpt #: 341 total cpu time spent up to now is 718.6 secs Computing kpt #: 342 total cpu time spent up to now is 720.5 secs Computing kpt #: 343 total cpu time spent up to now is 722.4 secs Computing kpt #: 344 total cpu time spent up to now is 724.4 secs Computing kpt #: 345 total cpu time spent up to now is 726.4 secs Computing kpt #: 346 total cpu time spent up to now is 728.2 secs Computing kpt #: 347 total cpu time spent up to now is 730.3 secs Computing kpt #: 348 total cpu time spent up to now is 732.1 secs Computing kpt #: 349 total cpu time spent up to now is 733.9 secs Computing kpt #: 350 total cpu time spent up to now is 735.8 secs Computing kpt #: 351 total cpu time spent up to now is 737.6 secs Computing kpt #: 352 total cpu time spent up to now is 739.4 secs Computing kpt #: 353 total cpu time spent up to now is 741.2 secs Computing kpt #: 354 total cpu time spent up to now is 743.0 secs Computing kpt #: 355 total cpu time spent up to now is 744.9 secs Computing kpt #: 356 total cpu time spent up to now is 746.8 secs Computing kpt #: 357 total cpu time spent up to now is 748.8 secs Computing kpt #: 358 total cpu time spent up to now is 750.6 secs Computing kpt #: 359 total cpu time spent up to now is 752.5 secs Computing kpt #: 360 total cpu time spent up to now is 754.5 secs Computing kpt #: 361 total cpu time spent up to now is 756.4 secs Computing kpt #: 362 total cpu time spent up to now is 758.2 secs Computing kpt #: 363 total cpu time spent up to now is 760.0 secs Computing kpt #: 364 total cpu time spent up to now is 761.9 secs Computing kpt #: 365 total cpu time spent up to now is 763.7 secs Computing kpt #: 366 total cpu time spent up to now is 765.6 secs Computing kpt #: 367 total cpu time spent up to now is 767.5 secs Computing kpt #: 368 total cpu time spent up to now is 769.3 secs Computing kpt #: 369 total cpu time spent up to now is 771.0 secs Computing kpt #: 370 total cpu time spent up to now is 772.8 secs ethr = 2.78E-11, avg # of iterations = 19.0 total cpu time spent up to now is 772.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5839 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0602 -10.0602 -6.7746 -6.7746 -4.9716 -4.9716 -4.9575 -4.9575 -1.7635 -1.7635 1.6820 1.6820 2.2522 2.2522 2.2679 2.2679 3.3745 3.3745 4.8585 4.8585 5.0330 5.0330 6.3068 6.3068 6.5212 6.5212 6.5310 6.5310 8.3248 8.3248 8.3261 8.3261 10.2577 10.2577 11.4960 11.4960 14.0711 14.0711 14.0739 14.0739 k = 0.0000 0.0000 0.0160 ( 5827 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0595 -10.0595 -6.7745 -6.7744 -4.9735 -4.9732 -4.9591 -4.9591 -1.7613 -1.7612 1.6809 1.6824 2.2512 2.2523 2.2673 2.2676 3.3766 3.3770 4.8575 4.8576 5.0354 5.0357 6.3058 6.3061 6.5198 6.5204 6.5300 6.5301 8.3217 8.3218 8.3254 8.3255 10.2635 10.2637 11.4961 11.4963 14.0699 14.0700 14.0730 14.0732 k = 0.0000 0.0000 0.0319 ( 5823 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0572 -10.0572 -6.7740 -6.7738 -4.9790 -4.9784 -4.9637 -4.9636 -1.7547 -1.7547 1.6789 1.6820 2.2492 2.2510 2.2661 2.2670 3.3835 3.3842 4.8546 4.8547 5.0428 5.0434 6.3031 6.3037 6.5156 6.5170 6.5275 6.5276 8.3114 8.3115 8.3251 8.3253 10.2809 10.2813 11.4966 11.4969 14.0658 14.0658 14.0716 14.0722 k = 0.0000 0.0000 0.0479 ( 5815 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0533 -10.0533 -6.7732 -6.7729 -4.9889 -4.9882 -4.9703 -4.9701 -1.7438 -1.7438 1.6760 1.6806 2.2456 2.2476 2.2652 2.2671 3.3948 3.3960 4.8496 4.8497 5.0552 5.0561 6.2987 6.2996 6.5075 6.5098 6.5246 6.5247 8.2948 8.2950 8.3247 8.3249 10.3094 10.3100 11.4975 11.4979 14.0584 14.0584 14.0701 14.0710 k = 0.0000 0.0000 0.0638 ( 5815 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0480 -10.0480 -6.7720 -6.7716 -5.0037 -5.0030 -4.9785 -4.9780 -1.7288 -1.7287 1.6718 1.6779 2.2399 2.2418 2.2656 2.2690 3.4106 3.4121 4.8425 4.8427 5.0723 5.0734 6.2925 6.2938 6.4956 6.4987 6.5214 6.5215 8.2730 8.2732 8.3242 8.3245 10.3480 10.3488 11.4989 11.4995 14.0485 14.0485 14.0683 14.0695 k = 0.0000 0.0000 0.0798 ( 5817 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0411 -10.0411 -6.7704 -6.7700 -5.0233 -5.0225 -4.9881 -4.9873 -1.7097 -1.7096 1.6661 1.6735 2.2321 2.2337 2.2681 2.2728 3.4307 3.4325 4.8332 4.8334 5.0938 5.0953 6.2845 6.2863 6.4802 6.4841 6.5177 6.5177 8.2473 8.2476 8.3235 8.3238 10.3956 10.3966 11.5010 11.5017 14.0365 14.0366 14.0663 14.0678 k = 0.0000 0.0000 0.0957 ( 5823 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0327 -10.0327 -6.7685 -6.7680 -5.0473 -5.0465 -4.9994 -4.9982 -1.6867 -1.6866 1.6585 1.6671 2.2224 2.2239 2.2732 2.2790 3.4548 3.4570 4.8215 4.8218 5.1195 5.1212 6.2747 6.2771 6.4615 6.4663 6.5132 6.5133 8.2191 8.2194 8.3226 8.3230 10.4511 10.4522 11.5038 11.5047 14.0232 14.0232 14.0640 14.0658 k = 0.0000 0.0000 0.1117 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0227 -10.0227 -6.7663 -6.7657 -5.0753 -5.0745 -5.0122 -5.0108 -1.6601 -1.6600 1.6487 1.6583 2.2114 2.2127 2.2811 2.2879 3.4828 3.4852 4.8073 4.8076 5.1489 5.1509 6.2629 6.2659 6.4398 6.4456 6.5079 6.5080 8.1897 8.1900 8.3216 8.3220 10.5133 10.5145 11.5076 11.5087 14.0088 14.0088 14.0617 14.0637 k = 0.0000 0.0000 0.1277 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0113 -10.0112 -6.7637 -6.7631 -5.1072 -5.1063 -5.0267 -5.0251 -1.6301 -1.6300 1.6363 1.6468 2.1994 2.2006 2.2923 2.2998 3.5143 3.5171 4.7903 4.7908 5.1815 5.1839 6.2489 6.2528 6.4156 6.4226 6.5015 6.5016 8.1604 8.1606 8.3202 8.3207 10.5810 10.5823 11.5126 11.5138 13.9939 13.9939 14.0593 14.0616 k = 0.0000 0.0000 0.1436 ( 5829 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9983 -9.9983 -6.7608 -6.7601 -5.1426 -5.1416 -5.0429 -5.0410 -1.5969 -1.5968 1.6212 1.6324 2.1867 2.1878 2.3072 2.3151 3.5492 3.5522 4.7704 4.7710 5.2170 5.2195 6.2325 6.2374 6.3893 6.3977 6.4942 6.4943 8.1324 8.1325 8.3187 8.3191 10.6534 10.6547 11.5190 11.5203 13.9787 13.9787 14.0569 14.0595 k = 0.0000 0.0000 0.1596 ( 5813 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9838 -9.9838 -6.7575 -6.7568 -5.1813 -5.1803 -5.0606 -5.0585 -1.5608 -1.5606 1.6033 1.6149 2.1736 2.1746 2.3258 2.3341 3.5873 3.5905 4.7475 4.7483 5.2545 5.2574 6.2134 6.2194 6.3618 6.3715 6.4859 6.4860 8.1065 8.1065 8.3168 8.3173 10.7295 10.7308 11.5270 11.5284 13.9636 13.9636 14.0548 14.0576 k = 0.0000 0.0000 0.1755 ( 5813 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9678 -9.9678 -6.7540 -6.7531 -5.2230 -5.2219 -5.0798 -5.0775 -1.5220 -1.5218 1.5827 1.5946 2.1604 2.1613 2.3483 2.3567 3.6282 3.6317 4.7215 4.7223 5.2935 5.2966 6.1912 6.1983 6.3339 6.3451 6.4767 6.4768 8.0835 8.0836 8.3147 8.3152 10.8085 10.8099 11.5368 11.5383 13.9487 13.9488 14.0529 14.0559 k = 0.0000 0.0000 0.1915 ( 5813 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9504 -9.9504 -6.7501 -6.7492 -5.2675 -5.2664 -5.1005 -5.0980 -1.4807 -1.4806 1.5594 1.5714 2.1473 2.1481 2.3746 2.3829 3.6719 3.6756 4.6921 4.6932 5.3331 5.3364 6.1654 6.1735 6.3069 6.3193 6.4667 6.4667 8.0641 8.0642 8.3123 8.3128 10.8899 10.8913 11.5486 11.5502 13.9342 13.9343 14.0514 14.0545 k = 0.0000 0.0000 0.2074 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9314 -9.9314 -6.7459 -6.7450 -5.3145 -5.3133 -5.1225 -5.1198 -1.4373 -1.4372 1.5337 1.5457 2.1345 2.1352 2.4045 2.4127 3.7180 3.7219 4.6595 4.6607 5.3725 5.3759 6.1359 6.1446 6.2820 6.2952 6.4560 6.4561 8.0486 8.0488 8.3097 8.3101 10.9731 10.9745 11.5627 11.5644 13.9203 13.9204 14.0503 14.0535 k = 0.0000 0.0000 0.2234 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9110 -9.9110 -6.7414 -6.7404 -5.3639 -5.3627 -5.1457 -5.1428 -1.3919 -1.3918 1.5059 1.5179 2.1223 2.1229 2.4379 2.4457 3.7663 3.7704 4.6237 4.6251 5.4103 5.4139 6.1026 6.1115 6.2600 6.2735 6.4449 6.4451 8.0372 8.0375 8.3068 8.3072 11.0576 11.0590 11.5792 11.5810 13.9069 13.9071 14.0497 14.0531 k = 0.0000 0.0000 0.2393 ( 5829 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8892 -9.8891 -6.7366 -6.7356 -5.4155 -5.4141 -5.1701 -5.1671 -1.3448 -1.3447 1.4763 1.4881 2.1108 2.1113 2.4743 2.4819 3.8166 3.8208 4.5849 4.5865 5.4452 5.4488 6.0663 6.0749 6.2418 6.2551 6.4336 6.4339 8.0300 8.0304 8.3036 8.3040 11.1432 11.1445 11.5983 11.6002 13.8940 13.8943 14.0496 14.0531 k = 0.0000 0.0000 0.2553 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8658 -9.8658 -6.7315 -6.7304 -5.4689 -5.4675 -5.1957 -5.1925 -1.2962 -1.2961 1.4452 1.4567 2.1003 2.1006 2.5135 2.5207 3.8683 3.8727 4.5433 4.5451 5.4755 5.4790 6.0278 6.0358 6.2279 6.2406 6.4224 6.4228 8.0269 8.0274 8.3004 8.3007 11.2294 11.2307 11.6201 11.6221 13.8818 13.8821 14.0501 14.0537 k = 0.0000 0.0000 0.2713 ( 5828 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8411 -9.8411 -6.7262 -6.7251 -5.5241 -5.5226 -5.2222 -5.2188 -1.2463 -1.2462 1.4129 1.4241 2.0907 2.0909 2.5552 2.5620 3.9210 3.9255 4.4997 4.5017 5.4990 5.5023 5.9882 5.9955 6.2190 6.2307 6.4115 6.4121 8.0276 8.0283 8.2970 8.2973 11.3161 11.3173 11.6447 11.6469 13.8701 13.8705 14.0513 14.0550 k = 0.0000 0.0000 0.2872 ( 5828 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8149 -9.8149 -6.7205 -6.7194 -5.5809 -5.5793 -5.2496 -5.2461 -1.1952 -1.1951 1.3796 1.3906 2.0823 2.0824 2.5989 2.6054 3.9737 3.9783 4.4549 4.4573 5.5136 5.5166 5.9490 5.9554 6.2160 6.2264 6.4012 6.4020 8.0319 8.0327 8.2937 8.2938 11.4030 11.4042 11.6723 11.6745 13.8590 13.8594 14.0531 14.0569 k = 0.0000 0.0000 0.3032 ( 5826 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7873 -9.7873 -6.7146 -6.7135 -5.6391 -5.6374 -5.2778 -5.2741 -1.1432 -1.1431 1.3457 1.3564 2.0751 2.0751 2.6444 2.6504 4.0246 4.0291 4.4111 4.4138 5.5171 5.5196 5.9110 5.9165 6.2196 6.2287 6.3919 6.3928 8.0394 8.0403 8.2905 8.2905 11.4900 11.4912 11.7028 11.7051 13.8483 13.8488 14.0556 14.0594 k = 0.0000 0.0000 0.3191 ( 5834 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7583 -9.7583 -6.7085 -6.7074 -5.6985 -5.6967 -5.3067 -5.3029 -1.0903 -1.0903 1.3114 1.3218 2.0692 2.0693 2.6911 2.6967 4.0695 4.0737 4.3724 4.3757 5.5083 5.5103 5.8751 5.8796 6.2306 6.2381 6.3836 6.3847 8.0496 8.0506 8.2874 8.2875 11.5770 11.5781 11.7363 11.7387 13.8381 13.8387 14.0588 14.0626 k = 0.0000 0.0000 0.3351 ( 5836 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7280 -9.7279 -6.7021 -6.7010 -5.7591 -5.7571 -5.3362 -5.3323 -1.0368 -1.0368 1.2769 1.2870 2.0647 2.0649 2.7386 2.7439 4.0996 4.1033 4.3479 4.3520 5.4873 5.4887 5.8410 5.8445 6.2489 6.2548 6.3766 6.3779 8.0620 8.0631 8.2846 8.2849 11.6638 11.6649 11.7727 11.7751 13.8283 13.8290 14.0626 14.0665 k = 0.0000 0.0000 0.3510 ( 5828 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6962 -9.6962 -6.6955 -6.6944 -5.8206 -5.8185 -5.3663 -5.3623 -0.9828 -0.9828 1.2424 1.2523 2.0616 2.0620 2.7866 2.7916 4.1022 4.1052 4.3505 4.3557 5.4553 5.4562 5.8081 5.8105 6.2739 6.2783 6.3711 6.3725 8.0762 8.0775 8.2823 8.2827 11.7504 11.7514 11.8119 11.8144 13.8189 13.8196 14.0671 14.0710 k = 0.0000 0.0000 0.3670 ( 5836 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6631 -9.6631 -6.6887 -6.6877 -5.8830 -5.8808 -5.3969 -5.3928 -0.9284 -0.9284 1.2081 1.2177 2.0599 2.0605 2.8346 2.8393 4.0758 4.0783 4.3821 4.3880 5.4148 5.4152 5.7752 5.7767 6.3045 6.3074 6.3672 6.3688 8.0917 8.0931 8.2806 8.2812 11.8366 11.8376 11.8538 11.8563 13.8097 13.8105 14.0723 14.0762 k = 0.0000 0.0000 0.3830 ( 5838 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6287 -9.6286 -6.6817 -6.6807 -5.9462 -5.9437 -5.4278 -5.4236 -0.8737 -0.8736 1.1742 1.1835 2.0598 2.0605 2.8820 2.8864 4.0318 4.0342 4.4313 4.4376 5.3680 5.3681 5.7415 5.7423 6.3391 6.3410 6.3650 6.3670 8.1080 8.1095 8.2795 8.2803 11.8982 11.9008 11.9225 11.9234 13.8009 13.8018 14.0781 14.0820 k = 0.0000 0.0000 0.3989 ( 5830 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.5930 -9.5929 -6.6746 -6.6737 -6.0099 -6.0073 -5.4590 -5.4547 -0.8188 -0.8187 1.1407 1.1498 2.0611 2.0619 2.9283 2.9325 3.9794 3.9819 4.4892 4.4958 5.3166 5.3172 5.7065 5.7067 6.3648 6.3660 6.3778 6.3779 8.1245 8.1262 8.2793 8.2802 11.9451 11.9477 12.0080 12.0088 13.7924 13.7934 14.0846 14.0884 k = 0.0000 0.0000 0.4149 ( 5830 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.5559 -9.5559 -6.6673 -6.6666 -6.0742 -6.0713 -5.4905 -5.4860 -0.7638 -0.7637 1.1079 1.1167 2.0637 2.0648 2.9730 2.9770 3.9233 3.9258 4.5515 4.5583 5.2628 5.2640 5.6698 5.6699 6.3666 6.3685 6.4166 6.4171 8.1410 8.1428 8.2799 8.2810 11.9941 11.9968 12.0928 12.0936 13.7841 13.7852 14.0916 14.0955 k = 0.0000 0.0000 0.4308 ( 5832 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.5176 -9.5176 -6.6600 -6.6595 -6.1388 -6.1356 -5.5220 -5.5175 -0.7087 -0.7087 1.0758 1.0844 2.0678 2.0689 3.0154 3.0192 3.8658 3.8683 4.6160 4.6230 5.2080 5.2098 5.6314 5.6318 6.3706 6.3727 6.4564 6.4577 8.1569 8.1588 8.2814 8.2828 12.0451 12.0478 12.1771 12.1778 13.7762 13.7773 14.0993 14.1031 k = 0.0000 0.0000 0.4468 ( 5844 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.4781 -9.4780 -6.6527 -6.6526 -6.2036 -6.1999 -5.5537 -5.5491 -0.6538 -0.6537 1.0446 1.0529 2.0730 2.0744 3.0548 3.0584 3.8080 3.8106 4.6816 4.6889 5.1534 5.1558 5.5917 5.5922 6.3770 6.3792 6.4967 6.4986 8.1717 8.1739 8.2839 8.2854 12.0977 12.1005 12.2608 12.2614 13.7685 13.7698 14.1075 14.1112 k = 0.0000 0.0000 0.4627 ( 5844 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.4373 -9.4372 -6.6460 -6.6457 -6.2683 -6.2640 -5.5854 -5.5807 -0.5990 -0.5989 1.0142 1.0223 2.0794 2.0809 3.0904 3.0939 3.7511 3.7537 4.7476 4.7550 5.0998 5.1030 5.5511 5.5515 6.3858 6.3882 6.5367 6.5393 8.1853 8.1875 8.2871 8.2889 12.1517 12.1545 12.3436 12.3442 13.7613 13.7627 14.1162 14.1199 k = 0.0000 0.0000 0.4787 ( 5844 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.3953 -9.3952 -6.6404 -6.6393 -6.3324 -6.3274 -5.6170 -5.6123 -0.5444 -0.5442 0.9848 0.9927 2.0868 2.0885 3.1216 3.1250 3.6956 3.6983 4.8132 4.8209 5.0482 5.0521 5.5097 5.5099 6.3974 6.3999 6.5762 6.5792 8.1970 8.1995 8.2912 8.2931 12.2069 12.2097 12.4257 12.4262 13.7545 13.7560 14.1254 14.1291 k = 0.0000 0.0000 0.4947 ( 5838 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.3520 -9.3520 -6.6365 -6.6343 -6.3953 -6.3890 -5.6485 -5.6438 -0.4900 -0.4899 0.9565 0.9642 2.0950 2.0968 3.1475 3.1509 3.6424 3.6450 4.8780 4.8858 4.9991 5.0039 5.4680 5.4680 6.4119 6.4146 6.6148 6.6183 8.2068 8.2094 8.2959 8.2980 12.2629 12.2657 12.5067 12.5071 13.7482 13.7498 14.1351 14.1387 k = 0.0000 0.0000 0.5106 ( 5842 PWs) bands (ev): -92.7787 -92.7787 -92.7785 -92.7785 -9.3077 -9.3076 -6.6368 -6.6327 -6.4546 -6.4465 -5.6799 -5.6751 -0.4360 -0.4358 0.9292 0.9367 2.1037 2.1058 3.1675 3.1709 3.5920 3.5946 4.9411 4.9487 4.9533 4.9595 5.4262 5.4266 6.4296 6.4324 6.6524 6.6563 8.2142 8.2169 8.3010 8.3032 12.3194 12.3222 12.5867 12.5870 13.7425 13.7443 14.1451 14.1487 k = 0.0000 0.0000 0.5266 ( 5842 PWs) bands (ev): -92.7787 -92.7787 -92.7785 -92.7785 -9.2622 -9.2621 -6.6463 -6.6398 -6.5053 -6.4946 -5.7110 -5.7062 -0.3823 -0.3822 0.9030 0.9103 2.1129 2.1151 3.1808 3.1842 3.5450 3.5476 4.9102 4.9168 5.0030 5.0112 5.3853 5.3862 6.4507 6.4535 6.6888 6.6931 8.2190 8.2219 8.3062 8.3086 12.3762 12.3790 12.6654 12.6657 13.7375 13.7394 14.1555 14.1590 k = 0.0000 0.0000 0.5425 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.2155 -9.2154 -6.6732 -6.6657 -6.5369 -6.5252 -5.7419 -5.7370 -0.3292 -0.3290 0.8780 0.8850 2.1221 2.1245 3.1870 3.1905 3.5018 3.5044 4.8705 4.8781 5.0621 5.0705 5.3460 5.3474 6.4754 6.4783 6.7242 6.7287 8.2211 8.2242 8.3113 8.3138 12.4330 12.4358 12.7426 12.7429 13.7333 13.7353 14.1661 14.1695 k = 0.0000 0.0000 0.5585 ( 5858 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1678 -9.1677 -6.7188 -6.7128 -6.5474 -6.5370 -5.7725 -5.7676 -0.2765 -0.2764 0.8540 0.8609 2.1313 2.1338 3.1857 3.1892 3.4631 3.4657 4.8334 4.8420 5.1184 5.1269 5.3095 5.3114 6.5039 6.5069 6.7585 6.7633 8.2202 8.2235 8.3159 8.3185 12.4896 12.4923 12.8183 12.8186 13.7300 13.7320 14.1769 14.1802 k = 0.0000 0.0000 0.5744 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1190 -9.1189 -6.7756 -6.7712 -6.5462 -6.5374 -5.8028 -5.7978 -0.2245 -0.2243 0.8313 0.8380 2.1401 2.1428 3.1768 3.1804 3.4294 3.4319 4.7980 4.8075 5.1714 5.1800 5.2768 5.2793 6.5365 6.5395 6.7919 6.7968 8.2163 8.2197 8.3197 8.3224 12.5456 12.5483 12.8921 12.8923 13.7277 13.7298 14.1876 14.1908 k = 0.0000 0.0000 0.5904 ( 5860 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0691 -9.0690 -6.8375 -6.8343 -6.5401 -6.5323 -5.8326 -5.8276 -0.1731 -0.1730 0.8096 0.8161 2.1483 2.1511 3.1606 3.1641 3.4010 3.4036 4.7632 4.7735 5.2205 5.2294 5.2493 5.2524 6.5733 6.5762 6.8246 6.8296 8.2093 8.2129 8.3223 8.3250 12.6010 12.6036 12.9637 12.9639 13.7265 13.7287 14.1981 14.2013 k = 0.0000 0.0000 0.6063 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0183 -9.0182 -6.9019 -6.8994 -6.5316 -6.5246 -5.8621 -5.8571 -0.1226 -0.1224 0.7891 0.7954 2.1558 2.1587 3.1373 3.1409 3.3784 3.3810 4.7275 4.7383 5.2281 5.2308 5.2667 5.2749 6.6142 6.6170 6.8566 6.8618 8.1991 8.2029 8.3232 8.3260 12.6556 12.6581 13.0329 13.0331 13.7266 13.7289 14.2083 14.2113 k = 0.0000 0.0000 0.6223 ( 5864 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9664 -8.9663 -6.9676 -6.9657 -6.5217 -6.5152 -5.8911 -5.8860 -0.0728 -0.0727 0.7696 0.7757 2.1624 2.1655 3.1076 3.1111 3.3619 3.3644 4.6897 4.7009 5.2141 5.2169 5.3078 5.3161 6.6592 6.6618 6.8883 6.8935 8.1859 8.1898 8.3221 8.3249 12.7093 12.7116 13.0991 13.0993 13.7282 13.7307 14.2178 14.2208 k = 0.0000 0.0000 0.6383 ( 5860 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9136 -8.9135 -7.0339 -7.0324 -6.5109 -6.5047 -5.9196 -5.9145 -0.0241 -0.0240 0.7511 0.7570 2.1682 2.1714 3.0723 3.0757 3.3516 3.3542 4.6490 4.6602 5.2074 5.2102 5.3447 5.3530 6.7081 6.7105 6.9197 6.9250 8.1696 8.1737 8.3187 8.3213 12.7619 12.7641 13.1620 13.1621 13.7316 13.7341 14.2265 14.2294 k = 0.0000 0.0000 0.6542 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8599 -8.8597 -7.1007 -7.0995 -6.4993 -6.4934 -5.9476 -5.9426 0.0236 0.0236 0.7335 0.7393 2.1733 2.1765 3.0321 3.0354 3.3477 3.3503 4.6049 4.6160 5.2079 5.2103 5.3774 5.3856 6.7606 6.7628 6.9512 6.9565 8.1504 8.1547 8.3125 8.3151 12.8134 12.8155 13.2208 13.2210 13.7371 13.7397 14.2340 14.2368 k = 0.0000 0.0000 0.6702 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8052 -8.8051 -7.1677 -7.1667 -6.4871 -6.4814 -5.9751 -5.9700 0.0700 0.0701 0.7168 0.7224 2.1779 2.1811 2.9879 2.9911 3.3501 3.3527 4.5574 4.5681 5.2148 5.2167 5.4058 5.4138 6.8164 6.8183 6.9829 6.9882 8.1285 8.1330 8.3032 8.3057 12.8638 12.8658 13.2748 13.2750 13.7452 13.7479 14.2401 14.2428 k = 0.0000 0.0000 0.6861 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7497 -8.7496 -7.2348 -7.2340 -6.4743 -6.4688 -6.0021 -5.9970 0.1151 0.1152 0.7009 0.7062 2.1823 2.1854 2.9406 2.9436 3.3587 3.3614 4.5068 4.5171 5.2270 5.2283 5.4301 5.4378 6.8747 6.8763 7.0149 7.0202 8.1043 8.1090 8.2907 8.2931 12.9131 12.9149 13.3232 13.3233 13.7565 13.7591 14.2445 14.2471 k = 0.0000 0.0000 0.7021 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6933 -8.6932 -7.3018 -7.3012 -6.4610 -6.4556 -6.0285 -6.0234 0.1587 0.1589 0.6856 0.6907 2.1868 2.1899 2.8909 2.8938 3.3732 3.3760 4.4535 4.4634 5.2433 5.2441 5.4503 5.4578 6.9351 6.9364 7.0474 7.0526 8.0779 8.0828 8.2748 8.2770 12.9611 12.9628 13.3650 13.3651 13.7714 13.7741 14.2468 14.2494 k = 0.0000 0.0000 0.7180 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6362 -8.6360 -7.3689 -7.3684 -6.4472 -6.4418 -6.0543 -6.0492 0.2006 0.2010 0.6708 0.6758 2.1920 2.1950 2.8398 2.8424 3.3932 3.3962 4.3981 4.4075 5.2628 5.2630 5.4668 5.4740 6.9968 6.9977 7.0804 7.0856 8.0500 8.0550 8.2552 8.2573 13.0080 13.0094 13.3994 13.3995 13.7906 13.7932 14.2469 14.2494 k = 0.0000 0.0000 0.7340 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.5782 -8.5780 -7.4358 -7.4354 -6.4329 -6.4275 -6.0796 -6.0745 0.2409 0.2414 0.6564 0.6611 2.1984 2.2012 2.7878 2.7902 3.4185 3.4216 4.3411 4.3499 5.2839 5.2843 5.4796 5.4866 7.0589 7.0594 7.1141 7.1192 8.0209 8.0261 8.2321 8.2339 13.0535 13.0548 13.4260 13.4260 13.8141 13.8166 14.2446 14.2470 k = 0.0000 0.0000 0.7500 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.5195 -8.5193 -7.5025 -7.5022 -6.4180 -6.4127 -6.1043 -6.0991 0.2792 0.2799 0.6422 0.6467 2.2063 2.2090 2.7356 2.7377 3.4486 3.4519 4.2828 4.2912 5.3061 5.3070 5.4891 5.4958 7.1204 7.1204 7.1482 7.1533 7.9915 7.9969 8.2055 8.2070 13.0977 13.0988 13.4446 13.4448 13.8415 13.8439 14.2396 14.2419 k = 0.0000 0.0000 0.7659 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.4600 -8.4599 -7.5690 -7.5688 -6.4027 -6.3974 -6.1283 -6.1232 0.3156 0.3164 0.6280 0.6323 2.2164 2.2189 2.6839 2.6857 3.4831 3.4866 4.2237 4.2316 5.3288 5.3302 5.4954 5.5018 7.1789 7.1800 7.1828 7.1885 7.9627 7.9682 8.1755 8.1767 13.1404 13.1413 13.4558 13.4561 13.8721 13.8744 14.2318 14.2341 k = 0.0000 0.0000 0.7819 ( 5868 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.3999 -8.3997 -7.6353 -7.6352 -6.3868 -6.3815 -6.1518 -6.1466 0.3498 0.3509 0.6136 0.6176 2.2290 2.2312 2.6331 2.6347 3.5215 3.5252 4.1641 4.1716 5.3514 5.3532 5.4986 5.5048 7.2173 7.2211 7.2365 7.2369 7.9358 7.9414 8.1425 8.1433 13.1815 13.1822 13.4602 13.4606 13.9049 13.9071 14.2212 14.2234 k = 0.0000 0.0000 0.7978 ( 5864 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.3390 -8.3389 -7.7013 -7.7012 -6.3703 -6.3651 -6.1746 -6.1695 0.3820 0.3832 0.5988 0.6026 2.2446 2.2465 2.5838 2.5851 3.5635 3.5675 4.1044 4.1115 5.3734 5.3757 5.4990 5.5048 7.2517 7.2555 7.2875 7.2877 7.9125 7.9181 8.1069 8.1073 13.2208 13.2213 13.4588 13.4592 13.9388 13.9409 14.2077 14.2098 k = 0.0000 0.0000 0.8138 ( 5868 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2776 -8.2775 -7.7670 -7.7670 -6.3533 -6.3482 -6.1969 -6.1917 0.4120 0.4135 0.5834 0.5870 2.2633 2.2650 2.5365 2.5374 3.6087 3.6129 4.0449 4.0516 5.3943 5.3971 5.4967 5.5022 7.2851 7.2887 7.3309 7.3312 7.8951 7.9005 8.0694 8.0694 13.2581 13.2584 13.4520 13.4524 13.9730 13.9750 14.1913 14.1934 k = 0.0000 0.0000 0.8297 ( 5872 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2156 -8.2154 -7.8324 -7.8324 -6.3358 -6.3306 -6.2185 -6.2134 0.4398 0.4415 0.5672 0.5705 2.2855 2.2869 2.4915 2.4921 3.6567 3.6611 3.9859 3.9922 5.4140 5.4171 5.4917 5.4969 7.3167 7.3200 7.3641 7.3643 7.8861 7.8912 8.0305 8.0311 13.2931 13.2933 13.4405 13.4409 14.0066 14.0086 14.1722 14.1742 k = 0.0000 0.0000 0.8457 ( 5868 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1529 -8.1528 -7.8974 -7.8974 -6.3177 -6.3126 -6.2395 -6.2344 0.4655 0.4675 0.5499 0.5529 2.3113 2.3123 2.4492 2.4495 3.7071 3.7118 3.9275 3.9335 5.4320 5.4355 5.4843 5.4892 7.3453 7.3481 7.3846 7.3848 7.8878 7.8923 7.9920 7.9932 13.3256 13.3256 13.4247 13.4251 14.0391 14.0410 14.1503 14.1523 k = 0.0000 0.0000 0.8617 ( 5872 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0898 -8.0897 -7.9620 -7.9619 -6.2990 -6.2939 -6.2600 -6.2548 0.4892 0.4915 0.5312 0.5340 2.3406 2.3413 2.4099 2.4099 3.7598 3.7647 3.8702 3.8759 5.4482 5.4521 5.4745 5.4791 7.3689 7.3711 7.3912 7.3921 7.9010 7.9047 7.9559 7.9578 13.3552 13.3553 13.4051 13.4053 14.0700 14.0720 14.1259 14.1278 k = 0.0000 0.0000 0.8776 ( 5872 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0261 -8.0261 -8.0261 -8.0261 -6.2798 -6.2798 -6.2746 -6.2746 0.5111 0.5111 0.5136 0.5136 2.3735 2.3735 2.3739 2.3739 3.8142 3.8142 3.8195 3.8195 5.4624 5.4624 5.4667 5.4667 7.3851 7.3851 7.3867 7.3867 7.9245 7.9245 7.9274 7.9274 13.3818 13.3818 13.3820 13.3820 14.0990 14.0990 14.1010 14.1010 k = 0.0000 0.0000 0.8776 ( 5872 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0261 -8.0261 -8.0261 -8.0261 -6.2798 -6.2798 -6.2746 -6.2746 0.5111 0.5111 0.5136 0.5136 2.3735 2.3735 2.3739 2.3739 3.8142 3.8142 3.8195 3.8195 5.4624 5.4624 5.4667 5.4667 7.3851 7.3851 7.3867 7.3867 7.9245 7.9245 7.9274 7.9274 13.3818 13.3818 13.3820 13.3820 14.0990 14.0990 14.1010 14.1010 k =-0.0086 0.0124 0.8776 ( 5868 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0271 -8.0271 -8.0267 -8.0267 -6.2789 -6.2789 -6.2737 -6.2737 0.5118 0.5118 0.5143 0.5143 2.3742 2.3742 2.3747 2.3747 3.8144 3.8144 3.8197 3.8197 5.4608 5.4608 5.4650 5.4650 7.3812 7.3812 7.3829 7.3829 7.9279 7.9279 7.9308 7.9308 13.3813 13.3813 13.3815 13.3815 14.0972 14.0972 14.0991 14.0991 k =-0.0172 0.0248 0.8776 ( 5872 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0296 -8.0296 -8.0288 -8.0288 -6.2763 -6.2763 -6.2710 -6.2710 0.5138 0.5138 0.5165 0.5165 2.3765 2.3765 2.3772 2.3772 3.8149 3.8149 3.8203 3.8203 5.4560 5.4560 5.4602 5.4602 7.3697 7.3697 7.3717 7.3717 7.9378 7.9378 7.9407 7.9407 13.3799 13.3799 13.3801 13.3801 14.0916 14.0916 14.0936 14.0936 k =-0.0257 0.0371 0.8776 ( 5866 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0336 -8.0336 -8.0325 -8.0325 -6.2719 -6.2719 -6.2665 -6.2665 0.5172 0.5172 0.5201 0.5201 2.3802 2.3802 2.3812 2.3812 3.8158 3.8158 3.8212 3.8212 5.4479 5.4479 5.4521 5.4521 7.3516 7.3516 7.3539 7.3539 7.9533 7.9533 7.9562 7.9562 13.3775 13.3775 13.3777 13.3777 14.0824 14.0824 14.0844 14.0844 k =-0.0343 0.0495 0.8776 ( 5858 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0391 -8.0391 -8.0377 -8.0377 -6.2657 -6.2657 -6.2602 -6.2602 0.5219 0.5219 0.5251 0.5251 2.3855 2.3855 2.3867 2.3867 3.8170 3.8170 3.8225 3.8225 5.4368 5.4368 5.4409 5.4409 7.3280 7.3280 7.3308 7.3308 7.9731 7.9731 7.9761 7.9761 13.3742 13.3742 13.3744 13.3744 14.0697 14.0697 14.0717 14.0717 k =-0.0429 0.0619 0.8776 ( 5860 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0461 -8.0461 -8.0443 -8.0443 -6.2579 -6.2579 -6.2521 -6.2521 0.5279 0.5279 0.5315 0.5315 2.3923 2.3923 2.3938 2.3938 3.8184 3.8184 3.8241 3.8241 5.4227 5.4227 5.4268 5.4268 7.3003 7.3003 7.3033 7.3033 7.9962 7.9962 7.9992 7.9992 13.3700 13.3700 13.3702 13.3702 14.0536 14.0536 14.0556 14.0556 k =-0.0515 0.0743 0.8776 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0545 -8.0545 -8.0524 -8.0524 -6.2484 -6.2484 -6.2424 -6.2424 0.5352 0.5352 0.5392 0.5392 2.4006 2.4006 2.4023 2.4023 3.8201 3.8201 3.8259 3.8259 5.4058 5.4058 5.4098 5.4098 7.2694 7.2694 7.2727 7.2727 8.0214 8.0214 8.0244 8.0244 13.3648 13.3648 13.3651 13.3651 14.0343 14.0343 14.0363 14.0363 k =-0.0601 0.0867 0.8776 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0643 -8.0643 -8.0619 -8.0619 -6.2373 -6.2373 -6.2310 -6.2310 0.5438 0.5438 0.5482 0.5482 2.4102 2.4102 2.4122 2.4122 3.8220 3.8220 3.8279 3.8279 5.3862 5.3862 5.3902 5.3902 7.2362 7.2362 7.2397 7.2397 8.0479 8.0479 8.0508 8.0508 13.3588 13.3588 13.3591 13.3591 14.0119 14.0119 14.0139 14.0139 k =-0.0687 0.0990 0.8776 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0753 -8.0753 -8.0726 -8.0726 -6.2246 -6.2246 -6.2180 -6.2180 0.5536 0.5536 0.5584 0.5584 2.4213 2.4213 2.4235 2.4235 3.8239 3.8239 3.8301 3.8301 5.3643 5.3643 5.3682 5.3682 7.2014 7.2014 7.2050 7.2050 8.0748 8.0748 8.0777 8.0777 13.3519 13.3519 13.3522 13.3522 13.9867 13.9867 13.9887 13.9887 k =-0.0772 0.1114 0.8776 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0876 -8.0876 -8.0846 -8.0846 -6.2103 -6.2103 -6.2035 -6.2035 0.5645 0.5645 0.5697 0.5697 2.4336 2.4336 2.4360 2.4360 3.8259 3.8259 3.8322 3.8322 5.3402 5.3402 5.3440 5.3440 7.1655 7.1655 7.1693 7.1693 8.1016 8.1016 8.1045 8.1045 13.3442 13.3442 13.3445 13.3445 13.9587 13.9587 13.9607 13.9607 k =-0.0858 0.1238 0.8776 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1010 -8.1010 -8.0978 -8.0978 -6.1946 -6.1946 -6.1875 -6.1875 0.5766 0.5766 0.5822 0.5822 2.4472 2.4472 2.4498 2.4498 3.8278 3.8278 3.8344 3.8344 5.3143 5.3143 5.3179 5.3179 7.1289 7.1289 7.1328 7.1328 8.1280 8.1280 8.1308 8.1308 13.3356 13.3356 13.3359 13.3359 13.9283 13.9283 13.9303 13.9303 k =-0.0944 0.1362 0.8776 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1155 -8.1155 -8.1121 -8.1121 -6.1775 -6.1775 -6.1701 -6.1701 0.5897 0.5897 0.5957 0.5957 2.4619 2.4619 2.4647 2.4647 3.8296 3.8296 3.8364 3.8364 5.2868 5.2868 5.2904 5.2904 7.0920 7.0920 7.0960 7.0960 8.1534 8.1534 8.1562 8.1562 13.3263 13.3263 13.3266 13.3266 13.8956 13.8956 13.8976 13.8976 k =-0.1030 0.1486 0.8776 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1309 -8.1309 -8.1273 -8.1273 -6.1590 -6.1590 -6.1514 -6.1514 0.6038 0.6038 0.6102 0.6102 2.4777 2.4777 2.4807 2.4807 3.8310 3.8310 3.8381 3.8381 5.2582 5.2582 5.2616 5.2616 7.0549 7.0549 7.0589 7.0589 8.1777 8.1777 8.1805 8.1805 13.3162 13.3162 13.3166 13.3166 13.8607 13.8607 13.8626 13.8626 k =-0.1116 0.1609 0.8776 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1473 -8.1473 -8.1435 -8.1435 -6.1393 -6.1393 -6.1314 -6.1314 0.6187 0.6187 0.6255 0.6255 2.4945 2.4945 2.4976 2.4976 3.8321 3.8321 3.8393 3.8393 5.2287 5.2287 5.2320 5.2320 7.0178 7.0178 7.0219 7.0219 8.2007 8.2007 8.2034 8.2034 13.3055 13.3055 13.3059 13.3059 13.8237 13.8237 13.8256 13.8256 k =-0.1201 0.1733 0.8776 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1645 -8.1645 -8.1606 -8.1606 -6.1183 -6.1183 -6.1102 -6.1102 0.6344 0.6344 0.6416 0.6416 2.5121 2.5121 2.5154 2.5154 3.8326 3.8326 3.8401 3.8401 5.1989 5.1989 5.2020 5.2020 6.9809 6.9809 6.9851 6.9851 8.2222 8.2222 8.2249 8.2249 13.2941 13.2941 13.2945 13.2945 13.7849 13.7849 13.7867 13.7867 k =-0.1201 0.1733 0.8776 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1645 -8.1645 -8.1606 -8.1606 -6.1183 -6.1183 -6.1102 -6.1102 0.6344 0.6344 0.6416 0.6416 2.5121 2.5121 2.5154 2.5154 3.8326 3.8326 3.8401 3.8401 5.1989 5.1989 5.2020 5.2020 6.9809 6.9809 6.9851 6.9851 8.2222 8.2222 8.2249 8.2249 13.2941 13.2941 13.2945 13.2945 13.7849 13.7849 13.7867 13.7867 k =-0.1265 0.1824 0.8665 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.2118 -8.2106 -8.1406 -8.1393 -6.1201 -6.1167 -6.0790 -6.0755 0.6269 0.6314 0.6683 0.6727 2.5109 2.5130 2.5431 2.5450 3.7975 3.8026 3.8704 3.8759 5.1509 5.1532 5.2025 5.2053 6.9321 6.9357 6.9768 6.9805 8.2037 8.2063 8.2685 8.2713 13.2358 13.2361 13.3325 13.3330 13.7317 13.7325 13.7810 13.7817 k =-0.1328 0.1916 0.8554 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2592 -8.2580 -8.1199 -8.1185 -6.1237 -6.1203 -6.0407 -6.0372 0.6168 0.6217 0.7007 0.7054 2.5124 2.5146 2.5735 2.5754 3.7619 3.7667 3.9064 3.9121 5.1012 5.1031 5.2068 5.2098 6.8853 6.8888 6.9723 6.9760 8.1835 8.1861 8.3107 8.3136 13.1711 13.1715 13.3721 13.3726 13.6786 13.6793 13.7775 13.7781 k =-0.1391 0.2007 0.8443 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.3053 -8.3041 -8.1008 -8.0994 -6.1273 -6.1240 -6.0005 -5.9970 0.6054 0.6106 0.7335 0.7384 2.5171 2.5195 2.6039 2.6057 3.7266 3.7312 3.9416 3.9475 5.0505 5.0520 5.2122 5.2153 6.8406 6.8440 6.9677 6.9714 8.1617 8.1643 8.3487 8.3516 13.1009 13.1011 13.4119 13.4126 13.6263 13.6271 13.7757 13.7763 k =-0.1455 0.2098 0.8332 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.3502 -8.3489 -8.0834 -8.0819 -6.1310 -6.1278 -5.9587 -5.9552 0.5928 0.5983 0.7666 0.7716 2.5249 2.5275 2.6339 2.6357 3.6916 3.6959 3.9756 3.9817 4.9996 5.0007 5.2188 5.2221 6.7981 6.8015 6.9632 6.9669 8.1383 8.1409 8.3822 8.3852 13.0257 13.0259 13.4504 13.4512 13.5755 13.5764 13.7764 13.7771 k =-0.1518 0.2190 0.8220 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.3936 -8.3924 -8.0677 -8.0661 -6.1347 -6.1316 -5.9154 -5.9119 0.5790 0.5848 0.7998 0.8050 2.5357 2.5385 2.6634 2.6651 3.6567 3.6607 4.0083 4.0144 4.9492 4.9499 5.2267 5.2301 6.7578 6.7611 6.9587 6.9624 8.1133 8.1159 8.4114 8.4145 12.9464 12.9466 13.4820 13.4831 13.5297 13.5307 13.7813 13.7822 k =-0.1581 0.2281 0.8109 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.4357 -8.4345 -8.0535 -8.0518 -6.1385 -6.1354 -5.8707 -5.8672 0.5642 0.5702 0.8330 0.8385 2.5493 2.5523 2.6920 2.6937 3.6219 3.6256 4.0391 4.0454 4.8999 4.9005 5.2361 5.2397 6.7196 6.7229 6.9543 6.9581 8.0868 8.0894 8.4363 8.4394 12.8640 12.8641 13.4666 13.4672 13.5274 13.5284 13.7924 13.7936 k =-0.1645 0.2372 0.7998 ( 5845 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.4762 -8.4751 -8.0408 -8.0391 -6.1422 -6.1393 -5.8250 -5.8215 0.5484 0.5546 0.8661 0.8718 2.5657 2.5688 2.7196 2.7212 3.5871 3.5904 4.0680 4.0744 4.8525 4.8532 5.2472 5.2509 6.6833 6.6866 6.9500 6.9539 8.0589 8.0615 8.4571 8.4603 12.7790 12.7790 13.4207 13.4215 13.5486 13.5499 13.8120 13.8134 k =-0.1708 0.2464 0.7887 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.5153 -8.5142 -8.0295 -8.0277 -6.1459 -6.1431 -5.7783 -5.7748 0.5319 0.5382 0.8990 0.9049 2.5845 2.5878 2.7458 2.7474 3.5521 3.5552 4.0947 4.1011 4.8076 4.8086 5.2600 5.2638 6.6488 6.6521 6.9459 6.9498 8.0297 8.0323 8.4740 8.4772 12.6922 12.6922 13.3736 13.3745 13.5630 13.5644 13.8412 13.8428 k =-0.1771 0.2555 0.7776 ( 5843 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.5529 -8.5518 -8.0195 -8.0177 -6.1496 -6.1469 -5.7310 -5.7274 0.5146 0.5210 0.9315 0.9376 2.6056 2.6091 2.7704 2.7720 3.5171 3.5198 4.1189 4.1253 4.7659 4.7673 5.2747 5.2785 6.6160 6.6192 6.9419 6.9459 7.9992 8.0018 8.4874 8.4906 12.6042 12.6043 13.3274 13.3283 13.5691 13.5705 13.8795 13.8811 k =-0.1835 0.2646 0.7665 ( 5839 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.5889 -8.5878 -8.0107 -8.0089 -6.1533 -6.1506 -5.6832 -5.6796 0.4968 0.5032 0.9635 0.9698 2.6288 2.6324 2.7931 2.7947 3.4821 3.4844 4.1406 4.1470 4.7279 4.7297 5.2913 5.2953 6.5847 6.5878 6.9382 6.9422 7.9676 7.9703 8.4976 8.5008 12.5156 12.5158 13.2824 13.2833 13.5682 13.5695 13.9247 13.9263 k =-0.1898 0.2738 0.7554 ( 5837 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6233 -8.6222 -8.0031 -8.0013 -6.1570 -6.1544 -5.6352 -5.6315 0.4786 0.4850 0.9948 1.0013 2.6537 2.6575 2.8136 2.8153 3.4472 3.4491 4.1598 4.1661 4.6937 4.6959 5.3100 5.3140 6.5546 6.5578 6.9345 6.9386 7.9351 7.9378 8.5049 8.5082 12.4270 12.4272 13.2388 13.2397 13.5621 13.5633 13.9745 13.9761 k =-0.1961 0.2829 0.7443 ( 5839 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6561 -8.6551 -7.9966 -7.9947 -6.1606 -6.1580 -5.5872 -5.5835 0.4601 0.4665 1.0253 1.0319 2.6800 2.6840 2.8317 2.8334 3.4128 3.4144 4.1766 4.1828 4.6634 4.6661 5.3307 5.3348 6.5257 6.5289 6.9310 6.9351 7.9017 7.9044 8.5099 8.5132 12.3388 12.3391 13.1967 13.1977 13.5521 13.5532 14.0272 14.0287 k =-0.2024 0.2920 0.7332 ( 5839 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6873 -8.6862 -7.9910 -7.9891 -6.1641 -6.1616 -5.5395 -5.5358 0.4415 0.4479 1.0548 1.0616 2.7076 2.7117 2.8470 2.8489 3.3793 3.3805 4.1912 4.1972 4.6370 4.6400 5.3534 5.3575 6.4978 6.5010 6.9276 6.9317 7.8677 7.8705 8.5130 8.5162 12.2516 12.2519 13.1564 13.1574 13.5394 13.5403 14.0813 14.0827 k =-0.2088 0.3012 0.7220 ( 5835 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7167 -8.7157 -7.9862 -7.9843 -6.1676 -6.1651 -5.4925 -5.4887 0.4229 0.4292 1.0831 1.0901 2.7359 2.7401 2.8591 2.8614 3.3473 3.3482 4.2041 4.2099 4.6139 4.6173 5.3780 5.3822 6.4708 6.4739 6.9242 6.9284 7.8332 7.8361 8.5145 8.5177 12.1657 12.1662 13.1179 13.1189 13.5247 13.5255 14.1358 14.1371 k =-0.2151 0.3103 0.7109 ( 5839 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7445 -8.7436 -7.9822 -7.9803 -6.1709 -6.1685 -5.4463 -5.4425 0.4045 0.4107 1.1102 1.1173 2.7646 2.7688 2.8679 2.8706 3.3175 3.3182 4.2155 4.2211 4.5939 4.5976 5.4044 5.4087 6.4445 6.4476 6.9209 6.9251 7.7986 7.8015 8.5149 8.5181 12.0817 12.0822 13.0814 13.0823 13.5085 13.5092 14.1898 14.1910 k =-0.2214 0.3194 0.6998 ( 5837 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7706 -8.7697 -7.9789 -7.9769 -6.1741 -6.1718 -5.4014 -5.3975 0.3863 0.3925 1.1358 1.1431 2.7929 2.7970 2.8734 2.8768 3.2908 3.2912 4.2259 4.2313 4.5762 4.5803 5.4325 5.4368 6.4188 6.4219 6.9176 6.9218 7.7640 7.7669 8.5147 8.5178 12.0000 12.0006 13.0468 13.0478 13.4914 13.4920 14.2425 14.2437 k =-0.2278 0.3286 0.6887 ( 5837 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7950 -8.7940 -7.9762 -7.9742 -6.1772 -6.1749 -5.3578 -5.3539 0.3687 0.3747 1.1599 1.1673 2.8191 2.8228 2.8768 2.8811 3.2676 3.2679 4.2357 4.2409 4.5604 4.5648 5.4619 5.4663 6.3937 6.3967 6.9142 6.9185 7.7297 7.7327 8.5141 8.5170 11.9210 11.9216 13.0144 13.0154 13.4737 13.4743 14.2934 14.2945 k =-0.2341 0.3377 0.6776 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8176 -8.8167 -7.9739 -7.9720 -6.1801 -6.1779 -5.3160 -5.3121 0.3516 0.3575 1.1824 1.1899 2.8379 2.8407 2.8830 2.8886 3.2485 3.2489 4.2452 4.2503 4.5459 4.5505 5.4926 5.4971 6.3689 6.3719 6.9109 6.9151 7.6960 7.6991 8.5134 8.5162 11.8451 11.8459 12.9842 12.9851 13.4559 13.4564 14.3419 14.3430 k =-0.2404 0.3468 0.6665 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8384 -8.8375 -7.9722 -7.9702 -6.1829 -6.1807 -5.2763 -5.2723 0.3352 0.3410 1.2031 1.2107 2.8413 2.8439 2.9000 2.9062 3.2337 3.2343 4.2548 4.2597 4.5323 4.5371 5.5241 5.5287 6.3445 6.3474 6.9074 6.9117 7.6633 7.6665 8.5128 8.5156 11.7729 11.7737 12.9561 12.9571 13.4382 13.4387 14.3875 14.3886 k =-0.2468 0.3560 0.6554 ( 5830 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8575 -8.8567 -7.9708 -7.9688 -6.1855 -6.1833 -5.2389 -5.2348 0.3197 0.3254 1.2221 1.2298 2.8333 2.8365 2.9240 2.9303 3.2229 3.2237 4.2645 4.2695 4.5191 4.5242 5.5561 5.5609 6.3204 6.3232 6.9040 6.9083 7.6319 7.6351 8.5126 8.5152 11.7048 11.7057 12.9304 12.9314 13.4210 13.4214 14.4299 14.4309 k =-0.2531 0.3651 0.6443 ( 5830 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8748 -8.8740 -7.9697 -7.9677 -6.1879 -6.1858 -5.2040 -5.2000 0.3052 0.3107 1.2392 1.2470 2.8202 2.8239 2.9495 2.9558 3.2156 3.2166 4.2746 4.2796 4.5062 4.5114 5.5884 5.5933 6.2966 6.2992 6.9006 6.9049 7.6020 7.6053 8.5129 8.5153 11.6412 11.6422 12.9070 12.9080 13.4045 13.4049 14.4688 14.4698 k =-0.2594 0.3742 0.6331 ( 5828 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8903 -8.8895 -7.9689 -7.9669 -6.1900 -6.1880 -5.1721 -5.1680 0.2918 0.2972 1.2544 1.2623 2.8048 2.8090 2.9744 2.9808 3.2110 3.2122 4.2851 4.2901 4.4932 4.4987 5.6205 5.6256 6.2732 6.2756 6.8972 6.9015 7.5742 7.5775 8.5135 8.5157 11.5827 11.5837 12.8860 12.8869 13.3891 13.3895 14.5039 14.5048 k =-0.2658 0.3834 0.6220 ( 5830 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9040 -8.9032 -7.9683 -7.9663 -6.1920 -6.1899 -5.1432 -5.1391 0.2797 0.2849 1.2678 1.2757 2.7886 2.7932 2.9979 3.0044 3.2084 3.2097 4.2960 4.3011 4.4802 4.4858 5.6520 5.6572 6.2502 6.2525 6.8940 6.8982 7.5486 7.5519 8.5146 8.5166 11.5297 11.5307 12.8673 12.8683 13.3749 13.3753 14.5350 14.5359 k =-0.2721 0.3925 0.6109 ( 5825 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9159 -8.9151 -7.9679 -7.9659 -6.1937 -6.1916 -5.1177 -5.1135 0.2689 0.2740 1.2793 1.2873 2.7728 2.7778 3.0195 3.0260 3.2072 3.2085 4.3073 4.3126 4.4670 4.4727 5.6822 5.6877 6.2280 6.2301 6.8909 6.8952 7.5256 7.5290 8.5160 8.5178 11.4826 11.4837 12.8511 12.8521 13.3621 13.3626 14.5620 14.5628 k =-0.2784 0.4016 0.5998 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9260 -8.9252 -7.9676 -7.9655 -6.1951 -6.1931 -5.0957 -5.0915 0.2595 0.2645 1.2890 1.2970 2.7583 2.7635 3.0387 3.0453 3.2067 3.2081 4.3191 4.3244 4.4536 4.4595 5.7107 5.7164 6.2069 6.2087 6.8882 6.8924 7.5056 7.5090 8.5176 8.5191 11.4419 11.4431 12.8374 12.8383 13.3511 13.3515 14.5849 14.5857 k =-0.2847 0.4108 0.5887 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9342 -8.9335 -7.9673 -7.9653 -6.1963 -6.1944 -5.0774 -5.0732 0.2518 0.2567 1.2968 1.3049 2.7456 2.7511 3.0552 3.0618 3.2067 3.2080 4.3312 4.3366 4.4402 4.4462 5.7365 5.7425 6.1875 6.1890 6.8858 6.8900 7.4888 7.4922 8.5192 8.5205 11.4080 11.4092 12.8261 12.8270 13.3418 13.3422 14.6036 14.6043 k =-0.2911 0.4199 0.5776 ( 5832 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9406 -8.9399 -7.9672 -7.9652 -6.1973 -6.1953 -5.0631 -5.0588 0.2456 0.2504 1.3029 1.3110 2.7353 2.7410 3.0685 3.0752 3.2068 3.2079 4.3436 4.3491 4.4267 4.4328 5.7586 5.7648 6.1706 6.1718 6.8838 6.8880 7.4754 7.4789 8.5207 8.5218 11.3813 11.3825 12.8173 12.8183 13.3344 13.3349 14.6181 14.6188 k =-0.2974 0.4290 0.5665 ( 5830 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9452 -8.9445 -7.9671 -7.9651 -6.1980 -6.1960 -5.0527 -5.0485 0.2412 0.2459 1.3072 1.3153 2.7277 2.7335 3.0784 3.0850 3.2069 3.2078 4.3561 4.3615 4.4135 4.4196 5.7758 5.7823 6.1573 6.1581 6.8824 6.8866 7.4657 7.4692 8.5219 8.5228 11.3619 11.3631 12.8110 12.8120 13.3291 13.3296 14.6284 14.6291 k =-0.3037 0.4381 0.5554 ( 5829 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9480 -8.9473 -7.9671 -7.9651 -6.1984 -6.1964 -5.0465 -5.0422 0.2385 0.2432 1.3098 1.3179 2.7231 2.7289 3.0844 3.0911 3.2071 3.2076 4.3681 4.3732 4.4013 4.4073 5.7868 5.7935 6.1487 6.1491 6.8815 6.8857 7.4599 7.4633 8.5227 8.5234 11.3502 11.3515 12.8073 12.8082 13.3259 13.3264 14.6346 14.6353 k =-0.3101 0.4473 0.5442 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9489 -8.9482 -7.9671 -7.9651 -6.1985 -6.1966 -5.0444 -5.0401 0.2377 0.2423 1.3106 1.3187 2.7215 2.7274 3.0865 3.0932 3.2073 3.2074 4.3756 4.3792 4.3946 4.4001 5.7906 5.7973 6.1458 6.1459 6.8812 6.8854 7.4579 7.4614 8.5230 8.5236 11.3463 11.3476 12.8060 12.8069 13.3248 13.3253 14.6367 14.6374 k =-0.3101 0.4473 0.5442 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9489 -8.9482 -7.9671 -7.9651 -6.1985 -6.1966 -5.0444 -5.0401 0.2377 0.2423 1.3106 1.3187 2.7215 2.7274 3.0865 3.0932 3.2073 3.2074 4.3756 4.3792 4.3946 4.4001 5.7906 5.7973 6.1458 6.1459 6.8812 6.8854 7.4579 7.4614 8.5230 8.5236 11.3463 11.3476 12.8060 12.8069 13.3248 13.3253 14.6367 14.6374 k =-0.3036 0.4380 0.5329 ( 5829 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9676 -8.9669 -7.9104 -7.9083 -6.2369 -6.2350 -5.0437 -5.0394 0.2001 0.2048 1.3041 1.3121 2.6978 2.7039 3.0459 3.0524 3.2532 3.2533 4.3918 4.3955 4.4273 4.4332 5.7959 5.8028 6.1890 6.1895 6.9172 6.9215 7.3985 7.4020 8.4925 8.4930 11.3239 11.3252 12.8204 12.8212 13.4124 13.4130 14.6219 14.6226 k =-0.2972 0.4286 0.5216 ( 5829 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9877 -8.9870 -7.8521 -7.8499 -6.2734 -6.2715 -5.0430 -5.0387 0.1611 0.1658 1.2971 1.3050 2.6734 2.6800 3.0062 3.0124 3.2999 3.3001 4.4116 4.4153 4.4601 4.4662 5.8023 5.8094 6.2280 6.2288 6.9537 6.9581 7.3388 7.3422 8.4609 8.4613 11.3071 11.3084 12.8333 12.8341 13.4967 13.4973 14.6006 14.6014 k =-0.2907 0.4193 0.5102 ( 5827 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0093 -9.0086 -7.7922 -7.7900 -6.3080 -6.3061 -5.0423 -5.0379 0.1206 0.1253 1.2900 1.2978 2.6483 2.6552 2.9676 2.9735 3.3471 3.3474 4.4350 4.4386 4.4927 4.4990 5.8099 5.8172 6.2624 6.2635 6.9907 6.9952 7.2786 7.2820 8.4286 8.4289 11.2959 11.2972 12.8453 12.8460 13.5753 13.5760 14.5748 14.5757 k =-0.2842 0.4100 0.4989 ( 5823 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0323 -9.0316 -7.7308 -7.7285 -6.3406 -6.3387 -5.0415 -5.0372 0.0789 0.0835 1.2832 1.2909 2.6218 2.6293 2.9308 2.9363 3.3942 3.3946 4.4621 4.4657 4.5249 4.5314 5.8184 5.8259 6.2920 6.2935 7.0282 7.0328 7.2180 7.2213 8.3958 8.3960 11.2903 11.2916 12.8568 12.8573 13.6448 13.6456 14.5477 14.5488 k =-0.2778 0.4007 0.4876 ( 5823 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0566 -9.0560 -7.6678 -7.6655 -6.3713 -6.3694 -5.0408 -5.0365 0.0358 0.0404 1.2769 1.2845 2.5937 2.6017 2.8962 2.9012 3.4410 3.4416 4.4930 4.4964 4.5565 4.5633 5.8277 5.8354 6.3168 6.3185 7.0663 7.0709 7.1569 7.1602 8.3629 8.3629 11.2902 11.2915 12.8680 12.8684 13.7007 13.7017 14.5240 14.5251 k =-0.2713 0.3914 0.4762 ( 5827 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0823 -9.0816 -7.6035 -7.6011 -6.4001 -6.3982 -5.0400 -5.0357 -0.0084 -0.0039 1.2716 1.2790 2.5637 2.5723 2.8642 2.8687 3.4873 3.4880 4.5275 4.5307 4.5874 4.5944 5.8378 5.8456 6.3366 6.3386 7.0955 7.0987 7.1050 7.1095 8.3300 8.3301 11.2953 11.2967 12.8793 12.8796 13.7376 13.7386 14.5091 14.5103 k =-0.2649 0.3821 0.4649 ( 5827 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1091 -9.1085 -7.5377 -7.5353 -6.4270 -6.4251 -5.0391 -5.0349 -0.0537 -0.0493 1.2674 1.2746 2.5316 2.5407 2.8351 2.8390 3.5329 3.5337 4.5654 4.5685 4.6172 4.6244 5.8484 5.8564 6.3515 6.3537 7.0338 7.0370 7.1439 7.1485 8.2975 8.2978 11.3055 11.3068 12.8909 12.8911 13.7500 13.7510 14.5087 14.5098 k =-0.2584 0.3727 0.4535 ( 5827 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1371 -9.1366 -7.4705 -7.4681 -6.4521 -6.4503 -5.0382 -5.0340 -0.1001 -0.0957 1.2645 1.2716 2.4973 2.5070 2.8089 2.8123 3.5777 3.5787 4.6068 4.6096 4.6458 4.6530 5.8593 5.8675 6.3616 6.3639 6.9721 6.9751 7.1833 7.1878 8.2660 8.2664 11.3202 11.3216 12.9033 12.9034 13.7355 13.7364 14.5254 14.5264 k =-0.2519 0.3634 0.4422 ( 5833 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1662 -9.1656 -7.4020 -7.3995 -6.4755 -6.4737 -5.0372 -5.0330 -0.1474 -0.1430 1.2631 1.2700 2.4611 2.4713 2.7856 2.7885 3.6218 3.6229 4.6512 4.6535 4.6729 4.6800 5.8704 5.8788 6.3670 6.3694 6.9106 6.9135 7.2228 7.2272 8.2356 8.2361 11.3390 11.3404 12.9164 12.9165 13.6954 13.6963 14.5579 14.5588 k =-0.2455 0.3541 0.4309 ( 5833 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1961 -9.1956 -7.3323 -7.3298 -6.4972 -6.4954 -5.0361 -5.0320 -0.1955 -0.1912 1.2634 1.2701 2.4232 2.4339 2.7650 2.7674 3.6652 3.6664 4.6943 4.6985 4.7039 4.7048 5.8815 5.8900 6.3679 6.3704 6.8497 6.8525 7.2623 7.2667 8.2068 8.2074 11.3614 11.3628 12.9305 12.9307 13.6343 13.6350 14.6017 14.6025 k =-0.2390 0.3448 0.4195 ( 5841 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.2270 -9.2265 -7.2613 -7.2588 -6.5174 -6.5156 -5.0349 -5.0309 -0.2444 -0.2402 1.2655 1.2721 2.3841 2.3951 2.7466 2.7486 3.7080 3.7093 4.7181 4.7271 4.7483 4.7518 5.8923 5.9010 6.3646 6.3671 6.7899 6.7926 7.3018 7.3060 8.1797 8.1804 11.3868 11.3881 12.9458 12.9461 13.5572 13.5578 14.6517 14.6525 k =-0.2326 0.3355 0.4082 ( 5851 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.2585 -9.2581 -7.1892 -7.1866 -6.5360 -6.5343 -5.0336 -5.0297 -0.2939 -0.2899 1.2695 1.2759 2.3440 2.3554 2.7301 2.7318 3.7502 3.7517 4.7372 4.7462 4.8003 4.8035 5.9028 5.9116 6.3574 6.3599 6.7319 6.7345 7.3409 7.3450 8.1546 8.1554 11.4144 11.4157 12.9623 12.9627 13.4684 13.4690 14.7036 14.7042 k =-0.2261 0.3261 0.3968 ( 5855 PWs) bands (ev): -92.7787 -92.7787 -92.7785 -92.7785 -9.2907 -9.2903 -7.1161 -7.1134 -6.5534 -6.5516 -5.0322 -5.0284 -0.3441 -0.3401 1.2755 1.2817 2.3035 2.3151 2.7153 2.7167 3.7922 3.7937 4.7524 4.7616 4.8542 4.8572 5.9125 5.9214 6.3465 6.3490 6.6764 6.6788 7.3797 7.3836 8.1318 8.1327 11.4435 11.4448 12.9802 12.9807 13.3713 13.3718 14.7538 14.7543 k =-0.2196 0.3168 0.3855 ( 5849 PWs) bands (ev): -92.7787 -92.7787 -92.7785 -92.7785 -9.3233 -9.3229 -7.0419 -7.0392 -6.5694 -6.5677 -5.0307 -5.0270 -0.3947 -0.3909 1.2836 1.2896 2.2628 2.2746 2.7018 2.7029 3.8338 3.8355 4.7632 4.7726 4.9095 4.9124 5.9214 5.9303 6.3323 6.3348 6.6242 6.6264 7.4179 7.4216 8.1114 8.1124 11.4734 11.4747 12.9995 13.0001 13.2682 13.2687 14.7996 14.8001 k =-0.2132 0.3075 0.3742 ( 5857 PWs) bands (ev): -92.7787 -92.7787 -92.7785 -92.7785 -9.3563 -9.3559 -6.9667 -6.9640 -6.5843 -6.5826 -5.0291 -5.0254 -0.4458 -0.4421 1.2938 1.2996 2.2222 2.2342 2.6894 2.6902 3.8754 3.8771 4.7688 4.7785 4.9659 4.9688 5.9293 5.9382 6.3151 6.3175 6.5762 6.5782 7.4556 7.4590 8.0935 8.0946 11.5034 11.5046 13.0201 13.0209 13.1610 13.1614 14.8390 14.8394 k =-0.2067 0.2982 0.3628 ( 5849 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.3895 -9.3892 -6.8907 -6.8880 -6.5981 -6.5964 -5.0273 -5.0238 -0.4972 -0.4936 1.3063 1.3119 2.1820 2.1942 2.6777 2.6783 3.9169 3.9187 4.7687 4.7786 5.0231 5.0259 5.9361 5.9449 6.2953 6.2976 6.5334 6.5350 7.4924 7.4957 8.0783 8.0794 11.5325 11.5337 13.0417 13.0430 13.0510 13.0520 14.8704 14.8708 k =-0.2003 0.2889 0.3515 ( 5841 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.4229 -9.4226 -6.8140 -6.8112 -6.6109 -6.6092 -5.0254 -5.0220 -0.5490 -0.5455 1.3209 1.3263 2.1425 2.1548 2.6667 2.6671 3.9585 3.9603 4.7620 4.7720 5.0806 5.0834 5.9419 5.9505 6.2732 6.2754 6.4963 6.4975 7.5285 7.5315 8.0657 8.0668 11.5600 11.5612 12.9394 12.9397 13.0658 13.0666 14.8927 14.8930 k =-0.1938 0.2795 0.3402 ( 5839 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.4563 -9.4560 -6.7366 -6.7338 -6.6228 -6.6211 -5.0234 -5.0201 -0.6009 -0.5976 1.3378 1.3430 2.1039 2.1163 2.6562 2.6563 4.0003 4.0021 4.7482 4.7584 5.1380 5.1408 5.9470 5.9552 6.2492 6.2512 6.4654 6.4663 7.5636 7.5665 8.0558 8.0570 11.5853 11.5864 12.8270 12.8274 13.0906 13.0916 14.9052 14.9055 k =-0.1873 0.2702 0.3288 ( 5841 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.4895 -9.4893 -6.6588 -6.6562 -6.6337 -6.6318 -5.0213 -5.0181 -0.6530 -0.6498 1.3569 1.3619 2.0662 2.0788 2.6458 2.6459 4.0421 4.0440 4.7269 4.7371 5.1949 5.1978 5.9518 5.9594 6.2237 6.2255 6.4410 6.4414 7.5978 7.6005 8.0485 8.0497 11.6075 11.6085 12.7146 12.7150 13.1168 13.1179 14.9079 14.9082 k =-0.1809 0.2609 0.3175 ( 5837 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.5226 -9.5223 -6.6445 -6.6431 -6.5798 -6.5768 -5.0190 -5.0160 -0.7051 -0.7021 1.3783 1.3831 2.0298 2.0424 2.6354 2.6358 4.0841 4.0860 4.6979 4.7081 5.2507 5.2537 5.9567 5.9638 6.1973 6.1988 6.4226 6.4228 7.6311 7.6335 8.0439 8.0451 11.6261 11.6271 12.6027 12.6031 13.1443 13.1454 14.9013 14.9015 k =-0.1744 0.2516 0.3061 ( 5831 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.5553 -9.5551 -6.6542 -6.6527 -6.5009 -6.4980 -5.0167 -5.0137 -0.7573 -0.7544 1.4018 1.4064 1.9946 2.0073 2.6252 2.6257 4.1262 4.1281 4.6613 4.6714 5.3049 5.3080 5.9625 5.9689 6.1704 6.1717 6.4096 6.4103 7.6633 7.6655 8.0418 8.0430 11.6406 11.6415 12.4919 12.4923 13.1730 13.1743 14.8861 14.8863 k =-0.1680 0.2423 0.2948 ( 5823 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.5876 -9.5874 -6.6634 -6.6619 -6.4218 -6.4189 -5.0142 -5.0114 -0.8094 -0.8066 1.4275 1.4320 1.9609 1.9736 2.6148 2.6156 4.1683 4.1702 4.6175 4.6274 5.3567 5.3599 5.9696 5.9752 6.1438 6.1448 6.4015 6.4027 7.6945 7.6965 8.0421 8.0433 11.6505 11.6513 12.3825 12.3830 13.2030 13.2043 14.8636 14.8636 k =-0.1615 0.2330 0.2835 ( 5833 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6194 -9.6192 -6.6720 -6.6705 -6.3425 -6.3396 -5.0117 -5.0090 -0.8614 -0.8588 1.4554 1.4596 1.9287 1.9415 2.6043 2.6054 4.2105 4.2124 4.5671 4.5768 5.4051 5.4086 5.9783 5.9832 6.1185 6.1191 6.3976 6.3993 7.7248 7.7266 8.0447 8.0459 11.6555 11.6562 12.2750 12.2754 13.2342 13.2355 14.8349 14.8349 k =-0.1550 0.2236 0.2721 ( 5831 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6505 -9.6504 -6.6801 -6.6787 -6.2632 -6.2603 -5.0091 -5.0066 -0.9132 -0.9107 1.4852 1.4893 1.8982 1.9110 2.5936 2.5949 4.2525 4.2544 4.5108 4.5203 5.4490 5.4528 5.9889 5.9930 6.0955 6.0957 6.3970 6.3993 7.7541 7.7557 8.0495 8.0507 11.6553 11.6560 12.1698 12.1702 13.2664 13.2679 14.8014 14.8014 k =-0.1486 0.2143 0.2608 ( 5829 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6810 -9.6809 -6.6878 -6.6864 -6.1841 -6.1812 -5.0064 -5.0041 -0.9647 -0.9624 1.5170 1.5209 1.8694 1.8822 2.5826 2.5841 4.2943 4.2961 4.4498 4.4590 5.4869 5.4909 6.0013 6.0047 6.0762 6.0765 6.3992 6.4019 7.7825 7.7839 8.0563 8.0575 11.6495 11.6501 12.0674 12.0678 13.2998 13.3013 14.7642 14.7644 k =-0.1421 0.2050 0.2494 ( 5837 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7107 -9.7106 -6.6951 -6.6937 -6.1053 -6.1024 -5.0038 -5.0015 -1.0159 -1.0137 1.5507 1.5544 1.8424 1.8552 2.5711 2.5729 4.3358 4.3375 4.3849 4.3938 5.5168 5.5211 6.0154 6.0181 6.0625 6.0632 6.4034 6.4065 7.8102 7.8114 8.0650 8.0661 11.6373 11.6379 11.9689 11.9692 13.3341 13.3356 14.7246 14.7248 k =-0.1357 0.1957 0.2381 ( 5837 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7396 -9.7394 -6.7020 -6.7007 -6.0270 -6.0242 -5.0010 -4.9989 -1.0666 -1.0646 1.5861 1.5896 1.8172 1.8300 2.5592 2.5613 4.3170 4.3256 4.3767 4.3785 5.5369 5.5415 6.0310 6.0329 6.0566 6.0576 6.4092 6.4125 7.8372 7.8383 8.0753 8.0764 11.6170 11.6178 11.8765 11.8766 13.3694 13.3710 14.6833 14.6836 k =-0.1292 0.1864 0.2268 ( 5833 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7675 -9.7674 -6.7086 -6.7073 -5.9494 -5.9466 -4.9983 -4.9963 -1.1168 -1.1150 1.6230 1.6264 1.7941 1.8067 2.5468 2.5491 4.2473 4.2556 4.4170 4.4187 5.5459 5.5507 6.0474 6.0485 6.0602 6.0613 6.4160 6.4197 7.8637 7.8646 8.0872 8.0882 11.5848 11.5858 11.7943 11.7944 13.4057 13.4073 14.6411 14.6414 k =-0.1227 0.1770 0.2154 ( 5829 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7944 -9.7943 -6.7148 -6.7136 -5.8727 -5.8699 -4.9956 -4.9937 -1.1665 -1.1648 1.6612 1.6646 1.7729 1.7853 2.5338 2.5364 4.1766 4.1846 4.4564 4.4580 5.5435 5.5484 6.0644 6.0646 6.0736 6.0745 6.4237 6.4275 7.8898 7.8905 8.1003 8.1013 11.5349 11.5362 11.7285 11.7290 13.4428 13.4444 14.5985 14.5989 k =-0.1163 0.1677 0.2041 ( 5829 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8203 -9.8203 -6.7208 -6.7196 -5.7971 -5.7943 -4.9929 -4.9912 -1.2154 -1.2139 1.7004 1.7041 1.7542 1.7660 2.5201 2.5230 4.1057 4.1133 4.4948 4.4963 5.5308 5.5355 6.0829 6.0829 6.0938 6.0950 6.4318 6.4358 7.9157 7.9163 8.1145 8.1155 11.4657 11.4673 11.6815 11.6823 13.4807 13.4823 14.5559 14.5564 k =-0.1098 0.1584 0.1928 ( 5833 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8451 -9.8451 -6.7264 -6.7252 -5.7228 -5.7201 -4.9903 -4.9887 -1.2635 -1.2621 1.7310 1.7446 1.7470 1.7486 2.5057 2.5089 4.0354 4.0427 4.5320 4.5335 5.5095 5.5140 6.1023 6.1024 6.1197 6.1212 6.4401 6.4442 7.9415 7.9420 8.1296 8.1305 11.3834 11.3850 11.6482 11.6491 13.5193 13.5210 14.5137 14.5143 k =-0.1034 0.1491 0.1814 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8688 -9.8687 -6.7317 -6.7306 -5.6501 -5.6475 -4.9877 -4.9862 -1.3106 -1.3093 1.7198 1.7332 1.7845 1.7859 2.4906 2.4941 3.9665 3.9734 4.5679 4.5692 5.4816 5.4859 6.1215 6.1219 6.1505 6.1519 6.4485 6.4527 7.9675 7.9678 8.1454 8.1462 11.2944 11.2961 11.6223 11.6233 13.5587 13.5603 14.4722 14.4729 k =-0.0969 0.1398 0.1701 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8912 -9.8911 -6.7368 -6.7357 -5.5793 -5.5767 -4.9852 -4.9838 -1.3566 -1.3555 1.7070 1.7199 1.8261 1.8278 2.4747 2.4785 3.8995 3.9060 4.6022 4.6034 5.4491 5.4531 6.1404 6.1410 6.1842 6.1856 6.4568 6.4611 7.9937 7.9939 8.1616 8.1624 11.2028 11.2044 11.6007 11.6017 13.5986 13.6003 14.4315 14.4322 k =-0.0904 0.1305 0.1587 ( 5821 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9124 -9.9123 -6.7415 -6.7405 -5.5106 -5.5081 -4.9828 -4.9815 -1.4013 -1.4003 1.6959 1.7085 1.8682 1.8699 2.4581 2.4622 3.8351 3.8411 4.6348 4.6359 5.4132 5.4169 6.1589 6.1598 6.2194 6.2206 6.4649 6.4692 8.0203 8.0203 8.1780 8.1788 11.1103 11.1119 11.5820 11.5831 13.6390 13.6406 14.3919 14.3927 k =-0.0840 0.1211 0.1474 ( 5823 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9322 -9.9322 -6.7460 -6.7450 -5.4444 -5.4420 -4.9804 -4.9793 -1.4445 -1.4437 1.6868 1.6990 1.9103 1.9119 2.4408 2.4452 3.7737 3.7793 4.6655 4.6666 5.3753 5.3787 6.1768 6.1780 6.2549 6.2560 6.4728 6.4769 8.0473 8.0473 8.1945 8.1952 11.0183 11.0200 11.5657 11.5668 13.6797 13.6814 14.3536 14.3544 k =-0.0775 0.1118 0.1361 ( 5823 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9508 -9.9508 -6.7501 -6.7492 -5.3810 -5.3787 -4.9782 -4.9772 -1.4861 -1.4854 1.6795 1.6914 1.9520 1.9534 2.4229 2.4275 3.7158 3.7210 4.6943 4.6953 5.3363 5.3394 6.1941 6.1954 6.2899 6.2909 6.4802 6.4843 8.0747 8.0749 8.2108 8.2114 10.9277 10.9293 11.5515 11.5526 13.7207 13.7223 14.3168 14.3176 k =-0.0711 0.1025 0.1247 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9680 -9.9680 -6.7540 -6.7531 -5.3207 -5.3185 -4.9761 -4.9752 -1.5257 -1.5251 1.6741 1.6856 1.9929 1.9942 2.4045 2.4093 3.6619 3.6666 4.7210 4.7218 5.2970 5.2999 6.2105 6.2120 6.3238 6.3246 6.4872 6.4911 8.1025 8.1028 8.2266 8.2272 10.8392 10.8407 11.5394 11.5405 13.7616 13.7632 14.2816 14.2825 k =-0.0646 0.0932 0.1134 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9838 -9.9838 -6.7575 -6.7568 -5.2639 -5.2618 -4.9742 -4.9734 -1.5633 -1.5628 1.6704 1.6814 2.0326 2.0336 2.3858 2.3907 3.6121 3.6164 4.7454 4.7462 5.2582 5.2609 6.2260 6.2275 6.3561 6.3568 6.4937 6.4974 8.1307 8.1310 8.2419 8.2424 10.7535 10.7550 11.5291 11.5302 13.8023 13.8038 14.2484 14.2492 k =-0.0581 0.0839 0.1020 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9981 -9.9981 -6.7607 -6.7600 -5.2109 -5.2090 -4.9724 -4.9717 -1.5984 -1.5980 1.6683 1.6788 2.0705 2.0714 2.3671 2.3719 3.5668 3.5706 4.7676 4.7682 5.2206 5.2230 6.2404 6.2420 6.3863 6.3869 6.4996 6.5032 8.1589 8.1592 8.2563 8.2568 10.6715 10.6730 11.5207 11.5217 13.8423 13.8438 14.2173 14.2181 k =-0.0517 0.0745 0.0907 ( 5821 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0111 -10.0111 -6.7636 -6.7630 -5.1622 -5.1604 -4.9707 -4.9701 -1.6309 -1.6306 1.6676 1.6774 2.1063 2.1070 2.3486 2.3533 3.5262 3.5295 4.7873 4.7879 5.1849 5.1871 6.2536 6.2552 6.4142 6.4146 6.5051 6.5083 8.1867 8.1871 8.2698 8.2702 10.5941 10.5955 11.5138 11.5148 13.8814 13.8827 14.1886 14.1894 k =-0.0452 0.0652 0.0794 ( 5825 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0225 -10.0225 -6.7662 -6.7657 -5.1180 -5.1164 -4.9692 -4.9687 -1.6604 -1.6602 1.6682 1.6771 2.1394 2.1400 2.3307 2.3353 3.4903 3.4932 4.8047 4.8051 5.1517 5.1536 6.2655 6.2670 6.4394 6.4396 6.5100 6.5128 8.2138 8.2143 8.2821 8.2825 10.5222 10.5235 11.5084 11.5093 13.9189 13.9202 14.1626 14.1633 k =-0.0388 0.0559 0.0680 ( 5829 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0325 -10.0325 -6.7685 -6.7680 -5.0789 -5.0775 -4.9678 -4.9674 -1.6867 -1.6865 1.6696 1.6777 2.1694 2.1698 2.3140 2.3182 3.4592 3.4617 4.8195 4.8199 5.1216 5.1233 6.2761 6.2775 6.4616 6.4617 6.5143 6.5167 8.2396 8.2400 8.2932 8.2935 10.4568 10.4579 11.5043 11.5051 13.9543 13.9555 14.1395 14.1401 k =-0.0323 0.0466 0.0567 ( 5821 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0409 -10.0409 -6.7704 -6.7700 -5.0452 -5.0440 -4.9665 -4.9662 -1.7095 -1.7094 1.6717 1.6788 2.1957 2.1959 2.2989 2.3025 3.4331 3.4351 4.8319 4.8322 5.0953 5.0967 6.2851 6.2864 6.4806 6.4807 6.5181 6.5201 8.2633 8.2637 8.3027 8.3030 10.3990 10.4000 11.5012 11.5019 13.9868 13.9878 14.1194 14.1200 k =-0.0258 0.0373 0.0454 ( 5823 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0479 -10.0479 -6.7719 -6.7716 -5.0173 -5.0162 -4.9652 -4.9651 -1.7286 -1.7285 1.6742 1.6801 2.2177 2.2179 2.2859 2.2889 3.4118 3.4134 4.8418 4.8420 5.0731 5.0742 6.2927 6.2938 6.4962 6.4965 6.5215 6.5229 8.2842 8.2845 8.3108 8.3110 10.3498 10.3506 11.4990 11.4996 14.0154 14.0163 14.1028 14.1032 k =-0.0194 0.0280 0.0340 ( 5821 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0533 -10.0533 -6.7731 -6.7729 -4.9957 -4.9948 -4.9638 -4.9638 -1.7437 -1.7436 1.6768 1.6813 2.2347 2.2352 2.2758 2.2778 3.3953 3.3965 4.8493 4.8494 5.0556 5.0564 6.2987 6.2995 6.5079 6.5085 6.5246 6.5253 8.3015 8.3018 8.3171 8.3173 10.3102 10.3108 11.4975 11.4980 14.0393 14.0399 14.0896 14.0900 k =-0.0129 0.0186 0.0227 ( 5821 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0571 -10.0571 -6.7740 -6.7738 -4.9810 -4.9803 -4.9618 -4.9618 -1.7546 -1.7546 1.6791 1.6822 2.2460 2.2470 2.2695 2.2703 3.3836 3.3844 4.8545 4.8546 5.0430 5.0436 6.3031 6.3036 6.5158 6.5165 6.5276 6.5277 8.3145 8.3147 8.3217 8.3218 10.2812 10.2816 11.4966 11.4969 14.0572 14.0577 14.0801 14.0804 k =-0.0065 0.0093 0.0113 ( 5829 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0595 -10.0595 -6.7745 -6.7744 -4.9736 -4.9733 -4.9590 -4.9590 -1.7612 -1.7612 1.6809 1.6825 2.2510 2.2519 2.2677 2.2677 3.3767 3.3771 4.8575 4.8576 5.0354 5.0357 6.3058 6.3061 6.5198 6.5204 6.5300 6.5301 8.3225 8.3225 8.3247 8.3247 10.2635 10.2637 11.4961 11.4963 14.0682 14.0685 14.0747 14.0748 k = 0.0000 0.0000 0.0000 ( 5839 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0602 -10.0602 -6.7746 -6.7746 -4.9716 -4.9716 -4.9575 -4.9575 -1.7635 -1.7635 1.6820 1.6820 2.2522 2.2522 2.2679 2.2679 3.3745 3.3745 4.8585 4.8585 5.0330 5.0330 6.3068 6.3068 6.5212 6.5212 6.5310 6.5310 8.3248 8.3248 8.3261 8.3261 10.2577 10.2577 11.4960 11.4960 14.0711 14.0711 14.0739 14.0739 k = 0.0000 0.0000 0.0000 ( 5839 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0602 -10.0602 -6.7746 -6.7746 -4.9716 -4.9716 -4.9575 -4.9575 -1.7635 -1.7635 1.6820 1.6820 2.2522 2.2522 2.2679 2.2679 3.3745 3.3745 4.8585 4.8585 5.0330 5.0330 6.3068 6.3068 6.5212 6.5212 6.5310 6.5310 8.3248 8.3248 8.3261 8.3261 10.2577 10.2577 11.4960 11.4960 14.0711 14.0711 14.0739 14.0739 k = 0.0132 0.0091 0.0000 ( 5827 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0593 -10.0593 -6.7773 -6.7773 -4.9718 -4.9718 -4.9577 -4.9577 -1.7602 -1.7602 1.6812 1.6812 2.2537 2.2537 2.2694 2.2694 3.3730 3.3730 4.8606 4.8606 5.0328 5.0328 6.3053 6.3053 6.5189 6.5189 6.5287 6.5287 8.3255 8.3255 8.3268 8.3268 10.2600 10.2600 11.4961 11.4961 14.0707 14.0707 14.0735 14.0735 k = 0.0263 0.0182 0.0000 ( 5827 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0566 -10.0566 -6.7853 -6.7853 -4.9723 -4.9723 -4.9582 -4.9582 -1.7503 -1.7503 1.6788 1.6788 2.2582 2.2582 2.2738 2.2738 3.3687 3.3687 4.8666 4.8666 5.0320 5.0320 6.3008 6.3008 6.5120 6.5120 6.5217 6.5217 8.3278 8.3278 8.3291 8.3291 10.2669 10.2669 11.4963 11.4963 14.0695 14.0695 14.0723 14.0723 k = 0.0395 0.0274 0.0000 ( 5827 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0520 -10.0520 -6.7986 -6.7986 -4.9732 -4.9732 -4.9592 -4.9592 -1.7340 -1.7340 1.6748 1.6748 2.2657 2.2657 2.2812 2.2812 3.3615 3.3615 4.8765 4.8765 5.0306 5.0306 6.2936 6.2936 6.5005 6.5005 6.5101 6.5101 8.3316 8.3316 8.3329 8.3329 10.2785 10.2785 11.4966 11.4966 14.0675 14.0675 14.0702 14.0702 k = 0.0526 0.0365 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0456 -10.0456 -6.8170 -6.8170 -4.9744 -4.9744 -4.9604 -4.9604 -1.7114 -1.7114 1.6691 1.6691 2.2761 2.2761 2.2916 2.2916 3.3517 3.3517 4.8902 4.8902 5.0284 5.0284 6.2837 6.2837 6.4844 6.4844 6.4939 6.4939 8.3368 8.3368 8.3381 8.3381 10.2946 10.2946 11.4971 11.4971 14.0646 14.0646 14.0671 14.0671 k = 0.0658 0.0456 0.0000 ( 5815 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0374 -10.0374 -6.8403 -6.8403 -4.9759 -4.9759 -4.9621 -4.9621 -1.6826 -1.6826 1.6619 1.6619 2.2895 2.2895 2.3049 2.3049 3.3395 3.3395 4.9074 4.9074 5.0252 5.0252 6.2714 6.2714 6.4639 6.4639 6.4732 6.4732 8.3436 8.3436 8.3449 8.3449 10.3152 10.3152 11.4977 11.4977 14.0608 14.0608 14.0631 14.0631 k = 0.0789 0.0547 0.0000 ( 5815 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0274 -10.0274 -6.8684 -6.8684 -4.9777 -4.9777 -4.9641 -4.9641 -1.6478 -1.6478 1.6532 1.6532 2.3058 2.3058 2.3211 2.3211 3.3253 3.3253 4.9279 4.9279 5.0205 5.0205 6.2572 6.2572 6.4390 6.4390 6.4481 6.4481 8.3517 8.3517 8.3530 8.3530 10.3401 10.3401 11.4983 11.4983 14.0558 14.0558 14.0580 14.0580 k = 0.0921 0.0639 0.0000 ( 5827 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0156 -10.0156 -6.9011 -6.9011 -4.9798 -4.9798 -4.9663 -4.9663 -1.6074 -1.6074 1.6431 1.6431 2.3251 2.3251 2.3402 2.3402 3.3092 3.3092 4.9514 4.9514 5.0141 5.0141 6.2414 6.2414 6.4099 6.4099 6.4188 6.4188 8.3613 8.3613 8.3626 8.3626 10.3693 10.3693 11.4990 11.4990 14.0497 14.0497 14.0517 14.0517 k = 0.1053 0.0730 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -10.0019 -10.0019 -6.9380 -6.9380 -4.9822 -4.9822 -4.9689 -4.9689 -1.5616 -1.5616 1.6315 1.6315 2.3471 2.3471 2.3622 2.3622 3.2916 3.2916 4.9776 4.9776 5.0056 5.0056 6.2246 6.2246 6.3767 6.3767 6.3853 6.3853 8.3722 8.3722 8.3735 8.3735 10.4025 10.4025 11.4997 11.4997 14.0423 14.0423 14.0442 14.0442 k = 0.1184 0.0821 0.0000 ( 5815 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9865 -9.9865 -6.9789 -6.9789 -4.9849 -4.9849 -4.9718 -4.9718 -1.5108 -1.5108 1.6185 1.6185 2.3721 2.3721 2.3869 2.3869 3.2729 3.2729 4.9943 4.9943 5.0063 5.0063 6.2071 6.2071 6.3395 6.3395 6.3478 6.3478 8.3844 8.3844 8.3857 8.3857 10.4397 10.4397 11.5005 11.5005 14.0335 14.0335 14.0352 14.0352 k = 0.1316 0.0912 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9692 -9.9692 -7.0235 -7.0235 -4.9878 -4.9878 -4.9750 -4.9750 -1.4552 -1.4552 1.6043 1.6043 2.3997 2.3997 2.4144 2.4144 3.2534 3.2534 4.9800 4.9800 5.0370 5.0370 6.1897 6.1897 6.2985 6.2985 6.3064 6.3064 8.3979 8.3979 8.3992 8.3992 10.4806 10.4806 11.5012 11.5012 14.0231 14.0231 14.0247 14.0247 k = 0.1447 0.1003 0.0000 ( 5815 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9502 -9.9502 -7.0715 -7.0715 -4.9910 -4.9910 -4.9784 -4.9784 -1.3951 -1.3951 1.5887 1.5887 2.4302 2.4302 2.4446 2.4446 3.2334 3.2334 4.9620 4.9620 5.0696 5.0696 6.1727 6.1727 6.2540 6.2540 6.2614 6.2614 8.4126 8.4126 8.4139 8.4139 10.5249 10.5249 11.5020 11.5020 14.0110 14.0110 14.0125 14.0125 k = 0.1579 0.1095 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9294 -9.9294 -7.1226 -7.1226 -4.9943 -4.9943 -4.9820 -4.9820 -1.3311 -1.3311 1.5720 1.5720 2.4632 2.4632 2.4775 2.4775 3.2132 3.2132 4.9399 4.9399 5.1039 5.1039 6.1565 6.1565 6.2062 6.2062 6.2129 6.2129 8.4284 8.4284 8.4297 8.4297 10.5724 10.5724 11.5028 11.5028 13.9972 13.9972 13.9987 13.9987 k = 0.1711 0.1186 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.9068 -9.9068 -7.1766 -7.1766 -4.9978 -4.9978 -4.9858 -4.9858 -1.2633 -1.2633 1.5541 1.5541 2.4989 2.4989 2.5129 2.5129 3.1930 3.1930 4.9134 4.9134 5.1394 5.1394 6.1396 6.1396 6.1572 6.1572 6.1612 6.1612 8.4452 8.4452 8.4466 8.4466 10.6229 10.6229 11.5037 11.5037 13.9815 13.9815 13.9832 13.9832 k = 0.1842 0.1277 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8824 -9.8824 -7.2331 -7.2331 -5.0015 -5.0015 -4.9898 -4.9898 -1.1922 -1.1922 1.5350 1.5350 2.5371 2.5371 2.5509 2.5509 3.1733 3.1733 4.8822 4.8822 5.1762 5.1762 6.0977 6.0977 6.1062 6.1062 6.1322 6.1322 8.4630 8.4630 8.4644 8.4644 10.6760 10.6760 11.5047 11.5047 13.9639 13.9639 13.9658 13.9658 k = 0.1974 0.1368 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8563 -9.8563 -7.2918 -7.2918 -5.0053 -5.0053 -4.9939 -4.9939 -1.1180 -1.1180 1.5150 1.5150 2.5778 2.5778 2.5913 2.5913 3.1542 3.1542 4.8461 4.8461 5.2138 5.2138 6.0411 6.0411 6.0484 6.0484 6.1209 6.1209 8.4817 8.4817 8.4830 8.4830 10.7313 10.7313 11.5058 11.5058 13.9445 13.9445 13.9465 13.9465 k = 0.2105 0.1459 0.0000 ( 5827 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.8285 -9.8285 -7.3526 -7.3526 -5.0091 -5.0091 -4.9982 -4.9982 -1.0413 -1.0413 1.4938 1.4938 2.6209 2.6209 2.6341 2.6341 3.1361 3.1361 4.8050 4.8050 5.2522 5.2522 5.9812 5.9812 5.9879 5.9879 6.1125 6.1125 8.5011 8.5011 8.5025 8.5025 10.7886 10.7886 11.5071 11.5071 13.9232 13.9232 13.9254 13.9254 k = 0.2237 0.1551 0.0000 ( 5827 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7989 -9.7989 -7.4151 -7.4151 -5.0131 -5.0131 -5.0025 -5.0025 -0.9621 -0.9621 1.4717 1.4717 2.6663 2.6663 2.6792 2.6792 3.1191 3.1191 4.7591 4.7591 5.2911 5.2911 5.9188 5.9188 5.9250 5.9250 6.1063 6.1063 8.5212 8.5212 8.5226 8.5226 10.8473 10.8473 11.5087 11.5087 13.9002 13.9002 13.9026 13.9026 k = 0.2368 0.1642 0.0000 ( 5811 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7677 -9.7677 -7.4791 -7.4791 -5.0170 -5.0170 -5.0069 -5.0069 -0.8810 -0.8810 1.4486 1.4486 2.7139 2.7139 2.7264 2.7264 3.1035 3.1035 4.7085 4.7085 5.3305 5.3305 5.8540 5.8540 5.8598 5.8598 6.1022 6.1022 8.5419 8.5419 8.5432 8.5432 10.9071 10.9071 11.5108 11.5108 13.8755 13.8755 13.8781 13.8781 k = 0.2500 0.1733 0.0000 ( 5819 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7347 -9.7347 -7.5444 -7.5444 -5.0210 -5.0210 -5.0112 -5.0112 -0.7983 -0.7983 1.4244 1.4244 2.7636 2.7636 2.7758 2.7758 3.0895 3.0895 4.6536 4.6536 5.3700 5.3700 5.7872 5.7872 5.7926 5.7926 6.0999 6.0999 8.5630 8.5630 8.5643 8.5643 10.9674 10.9674 11.5132 11.5132 13.8493 13.8493 13.8520 13.8520 k = 0.2632 0.1824 0.0000 ( 5831 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.7000 -9.7000 -7.6107 -7.6107 -5.0250 -5.0250 -5.0156 -5.0156 -0.7142 -0.7142 1.3993 1.3993 2.8153 2.8153 2.8271 2.8271 3.0774 3.0774 4.5948 4.5948 5.4097 5.4097 5.7186 5.7186 5.7236 5.7236 6.0991 6.0991 8.5844 8.5844 8.5857 8.5857 11.0278 11.0278 11.5162 11.5162 13.8218 13.8218 13.8246 13.8246 k = 0.2763 0.1916 0.0000 ( 5859 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6637 -9.6637 -7.6779 -7.6779 -5.0289 -5.0289 -5.0200 -5.0200 -0.6291 -0.6291 1.3732 1.3732 2.8688 2.8688 2.8803 2.8803 3.0673 3.0673 4.5324 4.5324 5.4493 5.4493 5.6484 5.6484 5.6530 5.6530 6.0995 6.0995 8.6059 8.6059 8.6072 8.6072 11.0879 11.0879 11.5198 11.5198 13.7931 13.7931 13.7961 13.7961 k = 0.2895 0.2007 0.0000 ( 5847 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.6257 -9.6257 -7.7458 -7.7458 -5.0327 -5.0327 -5.0243 -5.0243 -0.5433 -0.5433 1.3460 1.3460 2.9242 2.9242 2.9352 2.9352 3.0596 3.0596 4.4670 4.4670 5.4887 5.4887 5.5769 5.5769 5.5812 5.5812 6.1007 6.1007 8.6275 8.6275 8.6288 8.6288 11.1470 11.1470 11.5240 11.5240 13.7636 13.7636 13.7667 13.7667 k = 0.3026 0.2098 0.0000 ( 5835 PWs) bands (ev): -92.7787 -92.7787 -92.7784 -92.7784 -9.5861 -9.5861 -7.8142 -7.8142 -5.0364 -5.0364 -5.0285 -5.0285 -0.4571 -0.4571 1.3177 1.3177 2.9810 2.9810 2.9915 2.9915 3.0544 3.0544 4.3989 4.3989 5.5040 5.5040 5.5082 5.5082 5.5282 5.5282 6.1024 6.1024 8.6490 8.6490 8.6502 8.6502 11.2046 11.2046 11.5291 11.5291 13.7336 13.7336 13.7366 13.7366 k = 0.3158 0.2189 0.0000 ( 5835 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.5449 -9.5449 -7.8830 -7.8830 -5.0400 -5.0400 -5.0326 -5.0326 -0.3709 -0.3709 1.2883 1.2883 3.0393 3.0393 3.0462 3.0462 3.0551 3.0551 4.3288 4.3288 5.4308 5.4308 5.4345 5.4345 5.5667 5.5667 6.1042 6.1042 8.6701 8.6701 8.6713 8.6713 11.2602 11.2602 11.5348 11.5348 13.7033 13.7033 13.7063 13.7063 k = 0.3289 0.2280 0.0000 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.5021 -9.5021 -7.9519 -7.9519 -5.0435 -5.0435 -5.0365 -5.0365 -0.2849 -0.2849 1.2576 1.2576 3.0514 3.0514 3.0989 3.0989 3.1092 3.1092 4.2572 4.2572 5.3569 5.3569 5.3602 5.3602 5.6049 5.6049 6.1057 6.1057 8.6908 8.6908 8.6919 8.6919 11.3133 11.3133 11.5414 11.5414 13.6731 13.6731 13.6761 13.6761 k = 0.3421 0.2372 0.0000 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.4577 -9.4577 -8.0209 -8.0209 -5.0468 -5.0468 -5.0403 -5.0403 -0.1994 -0.1994 1.2256 1.2256 3.0548 3.0548 3.1594 3.1594 3.1691 3.1691 4.1844 4.1844 5.2827 5.2827 5.2858 5.2858 5.6424 5.6424 6.1066 6.1066 8.7109 8.7109 8.7120 8.7120 11.3634 11.3634 11.5488 11.5488 13.6433 13.6433 13.6462 13.6462 k = 0.3553 0.2463 0.0000 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.4118 -9.4118 -8.0899 -8.0899 -5.0498 -5.0498 -5.0439 -5.0439 -0.1147 -0.1147 1.1922 1.1922 3.0614 3.0614 3.2205 3.2205 3.2298 3.2298 4.1109 4.1109 5.2087 5.2087 5.2116 5.2116 5.6791 5.6791 6.1066 6.1066 8.7302 8.7302 8.7312 8.7312 11.4101 11.4101 11.5569 11.5569 13.6143 13.6143 13.6171 13.6171 k = 0.3684 0.2554 0.0000 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.3644 -9.3644 -8.1586 -8.1586 -5.0527 -5.0527 -5.0473 -5.0473 -0.0312 -0.0312 1.1573 1.1573 3.0714 3.0714 3.2821 3.2821 3.2908 3.2908 4.0373 4.0373 5.1352 5.1352 5.1379 5.1379 5.7150 5.7150 6.1056 6.1056 8.7485 8.7485 8.7495 8.7495 11.4529 11.4529 11.5656 11.5656 13.5864 13.5864 13.5890 13.5890 k = 0.3816 0.2645 0.0000 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.3155 -9.3155 -8.2270 -8.2270 -5.0553 -5.0553 -5.0504 -5.0504 0.0510 0.0510 1.1206 1.1206 3.0850 3.0850 3.3436 3.3436 3.3518 3.3518 3.9641 3.9641 5.0628 5.0628 5.0653 5.0653 5.7498 5.7498 6.1032 6.1032 8.7657 8.7657 8.7666 8.7666 11.4915 11.4915 11.5749 11.5749 13.5599 13.5599 13.5624 13.5624 k = 0.3947 0.2736 0.0000 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.2651 -9.2651 -8.2951 -8.2951 -5.0577 -5.0577 -5.0533 -5.0533 0.1316 0.1316 1.0822 1.0822 3.1023 3.1023 3.4045 3.4045 3.4122 3.4122 3.8915 3.8915 4.9919 4.9919 4.9944 4.9944 5.7836 5.7836 6.0993 6.0993 8.7816 8.7816 8.7824 8.7824 11.5258 11.5258 11.5846 11.5846 13.5353 13.5353 13.5375 13.5375 k = 0.4079 0.2828 0.0000 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.2133 -9.2133 -8.3626 -8.3626 -5.0598 -5.0598 -5.0559 -5.0559 0.2102 0.2102 1.0418 1.0418 3.1234 3.1234 3.4641 3.4641 3.4712 3.4712 3.8201 3.8201 4.9235 4.9235 4.9259 4.9259 5.8161 5.8161 6.0937 6.0937 8.7961 8.7961 8.7968 8.7968 11.5554 11.5554 11.5944 11.5944 13.5127 13.5127 13.5147 13.5147 k = 0.4211 0.2919 0.0000 ( 5842 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1602 -9.1602 -8.4295 -8.4295 -5.0616 -5.0616 -5.0583 -5.0583 0.2867 0.2867 0.9993 0.9993 3.1485 3.1485 3.5215 3.5215 3.5280 3.5280 3.7503 3.7503 4.8584 4.8584 4.8607 4.8607 5.8473 5.8473 6.0863 6.0863 8.8090 8.8090 8.8096 8.8096 11.5805 11.5805 11.6041 11.6041 13.4925 13.4925 13.4943 13.4943 k = 0.4342 0.3010 0.0000 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1056 -9.1056 -8.4958 -8.4958 -5.0631 -5.0631 -5.0603 -5.0603 0.3610 0.3610 0.9545 0.9545 3.1777 3.1777 3.5754 3.5754 3.5813 3.5813 3.6826 3.6826 4.7980 4.7980 4.8001 4.8001 5.8770 5.8770 6.0771 6.0771 8.8202 8.8202 8.8207 8.8207 11.6009 11.6009 11.6135 11.6135 13.4750 13.4750 13.4765 13.4765 k = 0.4474 0.3101 0.0000 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0498 -9.0498 -8.5612 -8.5612 -5.0643 -5.0643 -5.0621 -5.0621 0.4327 0.4327 0.9074 0.9074 3.2109 3.2109 3.6142 3.6142 3.6274 3.6274 3.6297 3.6297 4.7437 4.7437 4.7456 4.7456 5.9052 5.9052 6.0658 6.0658 8.8295 8.8295 8.8299 8.8299 11.6169 11.6169 11.6221 11.6221 13.4604 13.4604 13.4616 13.4616 k = 0.4605 0.3193 0.0000 ( 5866 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9927 -8.9927 -8.6259 -8.6259 -5.0652 -5.0652 -5.0635 -5.0635 0.5018 0.5018 0.8577 0.8577 3.2483 3.2483 3.5537 3.5537 3.6673 3.6673 3.6709 3.6709 4.6977 4.6977 4.6993 4.6993 5.9318 5.9318 6.0526 6.0526 8.8369 8.8369 8.8372 8.8372 11.6287 11.6287 11.6297 11.6297 13.4488 13.4488 13.4498 13.4498 k = 0.4737 0.3284 0.0000 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9343 -8.9343 -8.6896 -8.6896 -5.0657 -5.0657 -5.0646 -5.0646 0.5682 0.5682 0.8054 0.8054 3.2897 3.2897 3.4940 3.4940 3.7003 3.7003 3.7028 3.7028 4.6623 4.6623 4.6635 4.6635 5.9567 5.9567 6.0373 6.0373 8.8422 8.8422 8.8424 8.8424 11.6357 11.6357 11.6365 11.6365 13.4405 13.4405 13.4412 13.4412 k = 0.4868 0.3375 0.0000 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8748 -8.8748 -8.7524 -8.7524 -5.0659 -5.0659 -5.0654 -5.0654 0.6317 0.6317 0.7503 0.7503 3.3351 3.3351 3.4374 3.4374 3.7216 3.7216 3.7229 3.7229 4.6399 4.6399 4.6405 4.6405 5.9797 5.9797 6.0201 6.0201 8.8454 8.8454 8.8456 8.8456 11.6399 11.6399 11.6407 11.6407 13.4356 13.4356 13.4359 13.4359 k = 0.5000 0.3466 0.0000 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8141 -8.8141 -8.8141 -8.8141 -5.0658 -5.0658 -5.0658 -5.0658 0.6924 0.6924 0.6924 0.6924 3.3844 3.3844 3.3844 3.3844 3.7294 3.7294 3.7294 3.7294 4.6324 4.6324 4.6324 4.6324 6.0009 6.0009 6.0009 6.0009 8.8466 8.8466 8.8466 8.8466 11.6417 11.6417 11.6417 11.6417 13.4340 13.4340 13.4340 13.4340 k = 0.5000 0.3466 0.0000 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8141 -8.8141 -8.8141 -8.8141 -5.0658 -5.0658 -5.0658 -5.0658 0.6924 0.6924 0.6924 0.6924 3.3844 3.3844 3.3844 3.3844 3.7294 3.7294 3.7294 3.7294 4.6324 4.6324 4.6324 4.6324 6.0009 6.0009 6.0009 6.0009 8.8466 8.8466 8.8466 8.8466 11.6417 11.6417 11.6417 11.6417 13.4340 13.4340 13.4340 13.4340 k = 0.4937 0.3558 0.0111 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8141 -8.8141 -8.8132 -8.8131 -5.0682 -5.0680 -5.0659 -5.0657 0.6920 0.6922 0.6947 0.6950 3.3808 3.3811 3.3823 3.3828 3.7286 3.7289 3.7309 3.7315 4.6309 4.6313 4.6363 4.6367 5.9999 6.0002 6.0027 6.0032 8.8433 8.8435 8.8463 8.8465 11.6427 11.6427 11.6455 11.6456 13.4273 13.4274 13.4374 13.4374 k = 0.4873 0.3649 0.0222 ( 5866 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8141 -8.8140 -8.8103 -8.8102 -5.0750 -5.0747 -5.0658 -5.0654 0.6909 0.6913 0.7016 0.7022 3.3706 3.3713 3.3763 3.3773 3.7267 3.7273 3.7354 3.7364 4.6269 4.6278 4.6482 4.6489 5.9975 5.9981 6.0088 6.0097 8.8336 8.8341 8.8457 8.8460 11.6457 11.6457 11.6571 11.6573 13.4077 13.4077 13.4475 13.4475 k = 0.4810 0.3740 0.0333 ( 5860 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8140 -8.8139 -8.8055 -8.8053 -5.0862 -5.0858 -5.0656 -5.0651 0.6891 0.6897 0.7131 0.7141 3.3544 3.3553 3.3668 3.3683 3.7237 3.7247 3.7427 3.7443 4.6204 4.6218 4.6677 4.6688 5.9937 5.9946 6.0189 6.0202 8.8179 8.8185 8.8447 8.8451 11.6507 11.6507 11.6761 11.6765 13.3757 13.3758 13.4642 13.4643 k = 0.4747 0.3832 0.0444 ( 5864 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8139 -8.8137 -8.7988 -8.7985 -5.1017 -5.1012 -5.0654 -5.0646 0.6866 0.6874 0.7290 0.7304 3.3327 3.3339 3.3542 3.3561 3.7195 3.7208 3.7526 3.7546 4.6117 4.6135 4.6943 4.6956 5.9883 5.9896 6.0328 6.0345 8.7963 8.7972 8.8433 8.8438 11.6579 11.6579 11.7022 11.7027 13.3327 13.3328 13.4874 13.4874 k = 0.4683 0.3923 0.0556 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8137 -8.8135 -8.7901 -8.7898 -5.1214 -5.1208 -5.0650 -5.0641 0.6834 0.6844 0.7492 0.7509 3.3064 3.3078 3.3389 3.3411 3.7141 3.7157 3.7647 3.7671 4.6010 4.6032 4.7270 4.7286 5.9817 5.9832 6.0503 6.0524 8.7694 8.7704 8.8416 8.8422 11.6673 11.6673 11.7348 11.7354 13.2801 13.2802 13.5167 13.5167 k = 0.4620 0.4014 0.0667 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8136 -8.8134 -8.7795 -8.7791 -5.1451 -5.1443 -5.0646 -5.0634 0.6794 0.6807 0.7733 0.7753 3.2766 3.2781 3.3212 3.3236 3.7074 3.7094 3.7787 3.7814 4.5886 4.5911 4.7653 4.7671 5.9738 5.9756 6.0712 6.0735 8.7376 8.7388 8.8394 8.8401 11.6790 11.6790 11.7733 11.7739 13.2195 13.2195 13.5518 13.5518 k = 0.4557 0.4105 0.0778 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8135 -8.8132 -8.7670 -8.7665 -5.1725 -5.1716 -5.0640 -5.0627 0.6747 0.6761 0.8009 0.8033 3.2441 3.2457 3.3015 3.3042 3.6995 3.7018 3.7944 3.7973 4.5746 4.5774 4.8083 4.8103 5.9647 5.9668 6.0949 6.0976 8.7014 8.7027 8.8368 8.8376 11.6930 11.6930 11.8169 11.8176 13.1526 13.1526 13.5922 13.5923 k = 0.4494 0.4197 0.0889 ( 5855 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8135 -8.8132 -8.7525 -8.7519 -5.2034 -5.2024 -5.0634 -5.0619 0.6691 0.6708 0.8318 0.8345 3.2098 3.2115 3.2802 3.2831 3.6902 3.6929 3.8114 3.8146 4.5594 4.5625 4.8553 4.8574 5.9546 5.9569 6.1213 6.1241 8.6613 8.6629 8.8337 8.8346 11.7093 11.7094 11.8649 11.8657 13.0809 13.0810 13.6376 13.6377 k = 0.4430 0.4288 0.1000 ( 5851 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8136 -8.8132 -8.7361 -8.7355 -5.2375 -5.2364 -5.0627 -5.0610 0.6627 0.6646 0.8654 0.8685 3.1746 3.1763 3.2574 3.2605 3.6796 3.6825 3.8296 3.8330 4.5432 4.5466 4.9057 4.9080 5.9436 5.9462 6.1498 6.1529 8.6179 8.6196 8.8301 8.8311 11.7278 11.7279 11.9165 11.9174 13.0062 13.0062 13.6875 13.6876 k = 0.4367 0.4379 0.1111 ( 5847 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8138 -8.8134 -8.7179 -8.7172 -5.2746 -5.2735 -5.0620 -5.0601 0.6553 0.6574 0.9012 0.9047 3.1393 3.1410 3.2335 3.2367 3.6674 3.6707 3.8489 3.8525 4.5264 4.5300 4.9590 4.9614 5.9318 5.9347 6.1803 6.1836 8.5716 8.5736 8.8260 8.8271 11.7482 11.7483 11.9710 11.9719 12.9301 12.9301 13.7413 13.7414 k = 0.4304 0.4471 0.1222 ( 5859 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8143 -8.8139 -8.6977 -8.6969 -5.3144 -5.3131 -5.0612 -5.0591 0.6471 0.6494 0.9387 0.9426 3.1046 3.1063 3.2086 3.2119 3.6538 3.6573 3.8692 3.8729 4.5091 4.5129 5.0148 5.0173 5.9195 5.9226 6.2124 6.2158 8.5230 8.5251 8.8213 8.8225 11.7701 11.7703 12.0275 12.0285 12.8542 12.8542 13.7985 13.7987 k = 0.4240 0.4562 0.1333 ( 5853 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8150 -8.8145 -8.6756 -8.6747 -5.3565 -5.3552 -5.0603 -5.0581 0.6378 0.6402 0.9774 0.9816 3.0714 3.0730 3.1829 3.1864 3.6385 3.6424 3.8904 3.8942 4.4917 4.4957 5.0726 5.0751 5.9067 5.9101 6.2457 6.2492 8.4724 8.4746 8.8160 8.8172 11.7926 11.7929 12.0853 12.0865 12.7803 12.7803 13.8586 13.8587 k = 0.4177 0.4653 0.1445 ( 5849 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8160 -8.8155 -8.6516 -8.6507 -5.4007 -5.3993 -5.0594 -5.0570 0.6274 0.6301 1.0166 1.0211 3.0402 3.0417 3.1566 3.1602 3.6216 3.6258 3.9125 3.9164 4.4744 4.4785 5.1321 5.1347 5.8938 5.8974 6.2800 6.2836 8.4201 8.4225 8.8100 8.8113 11.8147 11.8150 12.1438 12.1450 12.7107 12.7107 13.9209 13.9210 k = 0.4114 0.4745 0.1556 ( 5849 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8174 -8.8169 -8.6258 -8.6248 -5.4466 -5.4451 -5.0585 -5.0559 0.6159 0.6187 1.0557 1.0606 3.0118 3.0132 3.1298 3.1335 3.6030 3.6075 3.9354 3.9395 4.4573 4.4615 5.1930 5.1956 5.8808 5.8847 6.3151 6.3187 8.3666 8.3691 8.8032 8.8045 11.8343 11.8348 12.2022 12.2034 12.6479 12.6479 13.9847 13.9849 k = 0.4050 0.4836 0.1667 ( 5845 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8192 -8.8187 -8.5980 -8.5970 -5.4940 -5.4924 -5.0575 -5.0548 0.6032 0.6062 1.0940 1.0992 2.9867 2.9880 3.1027 3.1065 3.5827 3.5874 3.9592 3.9633 4.4408 4.4451 5.2551 5.2577 5.8680 5.8721 6.3507 6.3544 8.3121 8.3147 8.7955 8.7969 11.8491 11.8497 12.2600 12.2612 12.5950 12.5951 14.0496 14.0498 k = 0.3987 0.4927 0.1778 ( 5839 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8216 -8.8210 -8.5685 -8.5673 -5.5424 -5.5408 -5.0565 -5.0536 0.5892 0.5924 1.1308 1.1365 2.9656 2.9667 3.0754 3.0793 3.5606 3.5656 3.9837 3.9879 4.4249 4.4292 5.3180 5.3206 5.8556 5.8598 6.3866 6.3903 8.2567 8.2595 8.7869 8.7883 11.8560 11.8566 12.3164 12.3177 12.5558 12.5560 14.1147 14.1149 k = 0.3924 0.5019 0.1889 ( 5847 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8245 -8.8239 -8.5370 -8.5358 -5.5918 -5.5901 -5.0555 -5.0525 0.5739 0.5773 1.1656 1.1717 2.9491 2.9500 3.0480 3.0520 3.5366 3.5419 4.0089 4.0133 4.4099 4.4143 5.3816 5.3841 5.8437 5.8481 6.4227 6.4264 8.2008 8.2037 8.7773 8.7786 11.8519 11.8526 12.3711 12.3724 12.5336 12.5339 14.1794 14.1796 k = 0.3860 0.5110 0.2000 ( 5847 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8281 -8.8275 -8.5038 -8.5025 -5.6416 -5.6399 -5.0546 -5.0514 0.5573 0.5609 1.1978 1.2042 2.9376 2.9383 3.0207 3.0248 3.5109 3.5164 4.0349 4.0394 4.3960 4.4004 5.4456 5.4480 5.8324 5.8371 6.4589 6.4626 8.1444 8.1474 8.7665 8.7679 11.8352 11.8360 12.4235 12.4249 12.5306 12.5309 14.2429 14.2431 k = 0.3797 0.5201 0.2111 ( 5847 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8324 -8.8318 -8.4687 -8.4673 -5.6918 -5.6900 -5.0536 -5.0503 0.5392 0.5429 1.2268 1.2335 2.9315 2.9320 2.9936 2.9978 3.4833 3.4891 4.0617 4.0662 4.3833 4.3877 5.5098 5.5121 5.8221 5.8269 6.4949 6.4986 8.0878 8.0909 8.7545 8.7559 11.8064 11.8073 12.4732 12.4746 12.5465 12.5467 14.3045 14.3048 k = 0.3734 0.5293 0.2222 ( 5839 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8375 -8.8369 -8.4318 -8.4304 -5.7420 -5.7402 -5.0526 -5.0492 0.5197 0.5235 1.2522 1.2592 2.9311 2.9315 2.9668 2.9711 3.4540 3.4599 4.0891 4.0938 4.3720 4.3764 5.5739 5.5761 5.8127 5.8177 6.5309 6.5346 8.0309 8.0341 8.7411 8.7425 11.7680 11.7689 12.5200 12.5214 12.5790 12.5792 14.3635 14.3637 k = 0.3671 0.5384 0.2334 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8436 -8.8429 -8.3931 -8.3916 -5.7920 -5.7901 -5.0517 -5.0481 0.4986 0.5026 1.2737 1.2810 2.9364 2.9368 2.9405 2.9447 3.4230 3.4291 4.1172 4.1220 4.3623 4.3668 5.6376 5.6397 5.8045 5.8097 6.5666 6.5703 7.9739 7.9772 8.7264 8.7277 11.7230 11.7240 12.5635 12.5648 12.6253 12.6255 14.4189 14.4192 k = 0.3607 0.5475 0.2445 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8505 -8.8498 -8.3526 -8.3511 -5.8415 -5.8396 -5.0507 -5.0471 0.4760 0.4801 1.2911 1.2987 2.9141 2.9187 2.9481 2.9482 3.3902 3.3966 4.1460 4.1509 4.3544 4.3588 5.7008 5.7027 5.7974 5.8028 6.6022 6.6059 7.9169 7.9202 8.7102 8.7115 11.6744 11.6754 12.6035 12.6049 12.6824 12.6825 14.4699 14.4702 k = 0.3544 0.5567 0.2556 ( 5835 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8585 -8.8578 -8.3103 -8.3088 -5.8903 -5.8884 -5.0498 -5.0461 0.4518 0.4561 1.3046 1.3123 2.8885 2.8932 2.9652 2.9652 3.3560 3.3625 4.1754 4.1804 4.3484 4.3528 5.7631 5.7648 5.7918 5.7972 6.6374 6.6411 7.8598 7.8631 8.6924 8.6936 11.6246 11.6256 12.6400 12.6414 12.7479 12.7480 14.5158 14.5162 k = 0.3481 0.5658 0.2667 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8677 -8.8669 -8.2664 -8.2647 -5.9383 -5.9364 -5.0490 -5.0451 0.4260 0.4304 1.3141 1.3220 2.8635 2.8682 2.9876 2.9878 3.3203 3.3269 4.2054 4.2105 4.3445 4.3489 5.7873 5.7931 5.8242 5.8258 6.6725 6.6762 7.8026 7.8060 8.6730 8.6742 11.5753 11.5764 12.6730 12.6743 12.8202 12.8202 14.5557 14.5561 k = 0.3417 0.5749 0.2778 ( 5833 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8780 -8.8772 -8.2207 -8.2189 -5.9852 -5.9832 -5.0481 -5.0442 0.3986 0.4030 1.3201 1.3281 2.8389 2.8438 3.0151 3.0153 3.2833 3.2900 4.2359 4.2411 4.3429 4.3473 5.7844 5.7903 5.8837 5.8851 6.7074 6.7111 7.7454 7.7489 8.6520 8.6531 11.5279 11.5290 12.7025 12.7038 12.8976 12.8977 14.5890 14.5894 k = 0.3354 0.5841 0.2889 ( 5837 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8895 -8.8888 -8.1733 -8.1715 -6.0308 -6.0289 -5.0473 -5.0433 0.3696 0.3741 1.3228 1.3309 2.8148 2.8198 3.0471 3.0473 3.2452 3.2520 4.2668 4.2722 4.3438 4.3481 5.7828 5.7889 5.9414 5.9425 6.7421 6.7459 7.6882 7.6917 8.6293 8.6303 11.4834 11.4845 12.7288 12.7300 12.9791 12.9792 14.6148 14.6152 k = 0.3291 0.5932 0.3000 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9023 -8.9016 -8.1242 -8.1223 -6.0751 -6.0732 -5.0466 -5.0425 0.3390 0.3435 1.3227 1.3309 2.7911 2.7963 3.0829 3.0831 3.2063 3.2131 4.2982 4.3038 4.3473 4.3517 5.7827 5.7890 5.9968 5.9977 6.7768 6.7806 7.6309 7.6344 8.6050 8.6059 11.4424 11.4436 12.7519 12.7531 13.0635 13.0638 14.6327 14.6332 k = 0.3227 0.6023 0.3111 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9165 -8.9158 -8.0734 -8.0715 -6.1179 -6.1160 -5.0458 -5.0417 0.3067 0.3113 1.3203 1.3285 2.7678 2.7732 3.1220 3.1221 3.1667 3.1734 4.3298 4.3356 4.3537 4.3581 5.7840 5.7904 6.0497 6.0502 6.8114 6.8154 7.5734 7.5769 8.5791 8.5799 11.4057 11.4068 12.7723 12.7734 13.1500 13.1503 14.6423 14.6429 k = 0.3164 0.6115 0.3223 ( 5827 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9320 -8.9313 -8.0211 -8.0191 -6.1591 -6.1571 -5.0451 -5.0409 0.2730 0.2776 1.3162 1.3243 2.7446 2.7503 3.1265 3.1333 3.1637 3.1639 4.3610 4.3629 4.3679 4.3682 5.7866 5.7932 6.0995 6.0997 6.8462 6.8503 7.5158 7.5193 8.5517 8.5524 11.3735 11.3747 12.7902 12.7912 13.2375 13.2379 14.6436 14.6442 k = 0.3101 0.6206 0.3334 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9489 -8.9482 -7.9671 -7.9651 -6.1985 -6.1966 -5.0444 -5.0401 0.2377 0.2423 1.3106 1.3187 2.7215 2.7274 3.0865 3.0932 3.2073 3.2074 4.3756 4.3792 4.3946 4.4001 5.7906 5.7973 6.1458 6.1459 6.8812 6.8854 7.4579 7.4614 8.5230 8.5236 11.3463 11.3476 12.8060 12.8069 13.3248 13.3253 14.6367 14.6374 k = 0.3101 0.6206 0.3334 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9489 -8.9482 -7.9671 -7.9651 -6.1985 -6.1966 -5.0444 -5.0401 0.2377 0.2423 1.3106 1.3187 2.7215 2.7274 3.0865 3.0932 3.2073 3.2074 4.3756 4.3792 4.3946 4.4001 5.7906 5.7973 6.1458 6.1459 6.8812 6.8854 7.4579 7.4614 8.5230 8.5236 11.3463 11.3476 12.8060 12.8069 13.3248 13.3253 14.6367 14.6374 k = 0.2953 0.6165 0.3384 ( 5826 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9582 -8.9575 -7.9406 -7.9385 -6.2156 -6.2137 -5.0441 -5.0399 0.2174 0.2221 1.3118 1.3199 2.7108 2.7168 3.0615 3.0678 3.2348 3.2355 4.3453 4.3500 4.4450 4.4510 5.7911 5.7980 6.1667 6.1669 6.8963 6.9006 7.4328 7.4363 8.5091 8.5097 11.3381 11.3393 12.8100 12.8109 13.3639 13.3644 14.6313 14.6321 k = 0.2805 0.6123 0.3434 ( 5822 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9697 -8.9690 -7.9110 -7.9089 -6.2322 -6.2302 -5.0440 -5.0397 0.1900 0.1947 1.3204 1.3285 2.6992 2.7055 3.0302 3.0359 3.2700 3.2712 4.3080 4.3124 4.5026 4.5091 5.7887 5.7959 6.1890 6.1895 6.9094 6.9137 7.4105 7.4139 8.4941 8.4947 11.3354 11.3367 12.8086 12.8094 13.4023 13.4029 14.6251 14.6260 k = 0.2658 0.6082 0.3484 ( 5825 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9829 -8.9822 -7.8791 -7.8770 -6.2481 -6.2461 -5.0439 -5.0396 0.1564 0.1610 1.3359 1.3439 2.6866 2.6931 2.9984 3.0035 3.3074 3.3089 4.2708 4.2748 4.5595 4.5665 5.7839 5.7915 6.2125 6.2132 6.9194 6.9236 7.3917 7.3950 8.4782 8.4788 11.3384 11.3397 12.8019 12.8028 13.4399 13.4407 14.6180 14.6191 k = 0.2510 0.6041 0.3534 ( 5827 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9973 -8.9966 -7.8455 -7.8434 -6.2633 -6.2613 -5.0440 -5.0398 0.1179 0.1225 1.3573 1.3654 2.6722 2.6791 2.9685 2.9731 3.3448 3.3466 4.2341 4.2379 4.6147 4.6222 5.7774 5.7854 6.2368 6.2377 6.9253 6.9293 7.3774 7.3806 8.4617 8.4622 11.3469 11.3481 12.7904 12.7912 13.4764 13.4773 14.6102 14.6115 k = 0.2362 0.6000 0.3585 ( 5821 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0123 -9.0117 -7.8108 -7.8087 -6.2778 -6.2758 -5.0442 -5.0400 0.0759 0.0804 1.3838 1.3918 2.6556 2.6628 2.9420 2.9460 3.3811 3.3830 4.1988 4.2022 4.6675 4.6755 5.7699 5.7785 6.2615 6.2627 6.9260 6.9299 7.3683 7.3713 8.4448 8.4453 11.3606 11.3619 12.7741 12.7750 13.5114 13.5124 14.6018 14.6033 k = 0.2215 0.5958 0.3635 ( 5823 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0278 -9.0272 -7.7756 -7.7735 -6.2915 -6.2895 -5.0445 -5.0404 0.0315 0.0359 1.4143 1.4223 2.6363 2.6438 2.9196 2.9232 3.4152 3.4172 4.1655 4.1685 4.7172 4.7257 5.7623 5.7714 6.2861 6.2875 6.9211 6.9247 7.3648 7.3675 8.4277 8.4282 11.3794 11.3807 12.7534 12.7543 13.5448 13.5460 14.5929 14.5945 k = 0.2067 0.5917 0.3685 ( 5823 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0432 -9.0426 -7.7404 -7.7383 -6.3045 -6.3025 -5.0450 -5.0410 -0.0141 -0.0098 1.4480 1.4560 2.6140 2.6218 2.9018 2.9050 3.4463 3.4484 4.1350 4.1376 4.7630 4.7719 5.7557 5.7654 6.3102 6.3118 6.9105 6.9137 7.3666 7.3690 8.4108 8.4113 11.4030 11.4044 12.7284 12.7294 13.5764 13.5777 14.5837 14.5854 k = 0.1919 0.5876 0.3735 ( 5825 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0584 -9.0579 -7.7056 -7.7035 -6.3167 -6.3146 -5.0456 -5.0417 -0.0599 -0.0558 1.4842 1.4922 2.5891 2.5970 2.8885 2.8914 3.4734 3.4755 4.1083 4.1106 4.8041 4.8134 5.7511 5.7612 6.3333 6.3352 6.8945 6.8973 7.3733 7.3754 8.3941 8.3946 11.4313 11.4327 12.6996 12.7006 13.6059 13.6073 14.5741 14.5760 k = 0.1772 0.5835 0.3786 ( 5827 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0731 -9.0726 -7.6717 -7.6696 -6.3280 -6.3260 -5.0463 -5.0426 -0.1051 -0.1012 1.5221 1.5300 2.5619 2.5700 2.8792 2.8819 3.4956 3.4976 4.0865 4.0885 4.8398 4.8494 5.7495 5.7600 6.3552 6.3573 6.8740 6.8764 7.3838 7.3856 8.3780 8.3785 11.4638 11.4653 12.6669 12.6680 13.6334 13.6349 14.5645 14.5665 k = 0.1624 0.5793 0.3836 ( 5835 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0872 -9.0867 -7.6390 -7.6370 -6.3385 -6.3365 -5.0472 -5.0436 -0.1489 -0.1452 1.5611 1.5690 2.5333 2.5414 2.8733 2.8757 3.5120 3.5139 4.0705 4.0721 4.8694 4.8791 5.7518 5.7625 6.3755 6.3777 6.8498 6.8519 7.3970 7.3987 8.3627 8.3631 11.5003 11.5019 12.6308 12.6319 13.6587 13.6603 14.5550 14.5570 k = 0.1477 0.5752 0.3886 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1004 -9.1000 -7.6079 -7.6060 -6.3481 -6.3462 -5.0481 -5.0447 -0.1907 -0.1872 1.6007 1.6085 2.5038 2.5118 2.8701 2.8723 3.5220 3.5238 4.0609 4.0622 4.8927 4.9023 5.7585 5.7692 6.3939 6.3963 6.8230 6.8247 7.4120 7.4135 8.3482 8.3486 11.5405 11.5421 12.5913 12.5925 13.6818 13.6834 14.5456 14.5476 k = 0.1329 0.5711 0.3936 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1127 -9.1123 -7.5787 -7.5769 -6.3569 -6.3550 -5.0490 -5.0459 -0.2299 -0.2268 1.6403 1.6480 2.4740 2.4819 2.8689 2.8710 3.5258 3.5274 4.0579 4.0588 4.9095 4.9188 5.7700 5.7803 6.4102 6.4128 6.7944 6.7959 7.4279 7.4292 8.3348 8.3352 11.5841 11.5857 12.5488 12.5501 13.7027 13.7042 14.5366 14.5386 k = 0.1181 0.5669 0.3986 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1239 -9.1236 -7.5517 -7.5500 -6.3647 -6.3629 -5.0500 -5.0471 -0.2661 -0.2633 1.6793 1.6869 2.4445 2.4523 2.8693 2.8712 3.5238 3.5252 4.0609 4.0615 4.9203 4.9290 5.7858 5.7957 6.4244 6.4271 6.7650 6.7662 7.4439 7.4451 8.3226 8.3230 11.6307 11.6324 12.5035 12.5048 13.7213 13.7228 14.5281 14.5300 k = 0.1034 0.5628 0.4037 ( 5828 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1340 -9.1337 -7.5272 -7.5257 -6.3715 -6.3699 -5.0509 -5.0483 -0.2989 -0.2964 1.7172 1.7245 2.4159 2.4233 2.8707 2.8725 3.5174 3.5186 4.0685 4.0690 4.9256 4.9336 5.8054 5.8145 6.4363 6.4390 6.7356 6.7366 7.4594 7.4604 8.3116 8.3120 11.6799 11.6816 12.4557 12.4570 13.7377 13.7391 14.5203 14.5220 k = 0.0886 0.5587 0.4087 ( 5832 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1429 -9.1426 -7.5054 -7.5040 -6.3775 -6.3760 -5.0518 -5.0495 -0.3280 -0.3258 1.7534 1.7604 2.3885 2.3956 2.8729 2.8744 3.5079 3.5090 4.0794 4.0798 4.9267 4.9338 5.8275 5.8358 6.4458 6.4484 6.7073 6.7081 7.4738 7.4747 8.3021 8.3024 11.7315 11.7332 12.4055 12.4069 13.7519 13.7532 14.5132 14.5147 k = 0.0738 0.5546 0.4137 ( 5831 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1505 -9.1502 -7.4866 -7.4854 -6.3825 -6.3812 -5.0526 -5.0507 -0.3530 -0.3511 1.7871 1.7935 2.3630 2.3695 2.8753 2.8767 3.4970 3.4979 4.0919 4.0923 4.9247 4.9307 5.8508 5.8580 6.4529 6.4554 6.6809 6.6816 7.4867 7.4875 8.2939 8.2941 11.7849 11.7867 12.3533 12.3548 13.7638 13.7650 14.5070 14.5084 k = 0.0591 0.5504 0.4187 ( 5833 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1567 -9.1565 -7.4709 -7.4699 -6.3866 -6.3855 -5.0533 -5.0517 -0.3737 -0.3722 1.8175 1.8232 2.3400 2.3458 2.8778 2.8790 3.4861 3.4868 4.1045 4.1049 4.9209 4.9258 5.8737 5.8796 6.4576 6.4599 6.6577 6.6583 7.4977 7.4984 8.2872 8.2874 11.8399 11.8417 12.2995 12.3010 13.7736 13.7746 14.5018 14.5029 k = 0.0443 0.5463 0.4237 ( 5843 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1616 -9.1615 -7.4585 -7.4577 -6.3897 -6.3889 -5.0538 -5.0526 -0.3900 -0.3889 1.8434 1.8481 2.3205 2.3253 2.8801 2.8810 3.4763 3.4769 4.1159 4.1163 4.9166 4.9203 5.8943 5.8989 6.4603 6.4622 6.6387 6.6392 7.5066 7.5072 8.2819 8.2821 11.8960 11.8978 12.2443 12.2459 13.7812 13.7820 14.4977 14.4986 k = 0.0295 0.5422 0.4288 ( 5839 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1651 -9.1650 -7.4495 -7.4490 -6.3919 -6.3914 -5.0541 -5.0533 -0.4017 -0.4009 1.8637 1.8671 2.3056 2.3091 2.8820 2.8826 3.4687 3.4692 4.1249 4.1252 4.9128 4.9153 5.9109 5.9141 6.4613 6.4628 6.6247 6.6250 7.5132 7.5135 8.2782 8.2783 11.9527 11.9545 12.1884 12.1900 13.7867 13.7872 14.4947 14.4953 k = 0.0148 0.5381 0.4338 ( 5845 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1672 -9.1672 -7.4440 -7.4437 -6.3932 -6.3929 -5.0542 -5.0538 -0.4087 -0.4083 1.8769 1.8787 2.2965 2.2983 2.8832 2.8835 3.4640 3.4642 4.1307 4.1309 4.9104 4.9116 5.9219 5.9236 6.4616 6.4624 6.6162 6.6164 7.5172 7.5174 8.2760 8.2760 12.0087 12.0103 12.1329 12.1345 13.7900 13.7903 14.4930 14.4933 k = 0.0000 0.5339 0.4388 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1679 -9.1679 -7.4421 -7.4421 -6.3935 -6.3935 -5.0541 -5.0541 -0.4109 -0.4109 1.8821 1.8821 2.2939 2.2939 2.8837 2.8837 3.4624 3.4624 4.1328 4.1328 4.9099 4.9099 5.9263 5.9263 6.4619 6.4619 6.6135 6.6135 7.5186 7.5186 8.2752 8.2752 12.0496 12.0496 12.0938 12.0938 13.7912 13.7912 14.4925 14.4925 k = 0.0000 0.5339 0.4388 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1679 -9.1679 -7.4421 -7.4421 -6.3935 -6.3935 -5.0541 -5.0541 -0.4109 -0.4109 1.8821 1.8821 2.2939 2.2939 2.8837 2.8837 3.4624 3.4624 4.1328 4.1328 4.9099 4.9099 5.9263 5.9263 6.4619 6.4619 6.6135 6.6135 7.5186 7.5186 8.2752 8.2752 12.0496 12.0496 12.0938 12.0938 13.7912 13.7912 14.4925 14.4925 k = 0.0064 0.5247 0.4501 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1670 -9.1670 -7.4421 -7.4421 -6.3935 -6.3934 -5.0564 -5.0561 -0.4103 -0.4099 1.8833 1.8834 2.2914 2.2917 2.8827 2.8831 3.4613 3.4615 4.1350 4.1354 4.9082 4.9084 5.9265 5.9267 6.4607 6.4607 6.6162 6.6163 7.5192 7.5193 8.2758 8.2760 12.0517 12.0518 12.0959 12.0960 13.7913 13.7913 14.4928 14.4929 k = 0.0128 0.5154 0.4613 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1644 -9.1643 -7.4421 -7.4420 -6.3933 -6.3931 -5.0628 -5.0623 -0.4080 -0.4073 1.8869 1.8871 2.2843 2.2848 2.8800 2.8808 3.4585 3.4587 4.1421 4.1428 4.9032 4.9037 5.9272 5.9276 6.4574 6.4574 6.6243 6.6244 7.5211 7.5213 8.2776 8.2780 12.0580 12.0582 12.1024 12.1026 13.7915 13.7916 14.4937 14.4938 k = 0.0192 0.5062 0.4726 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1600 -9.1599 -7.4421 -7.4420 -6.3930 -6.3927 -5.0735 -5.0726 -0.4042 -0.4031 1.8928 1.8931 2.2726 2.2734 2.8756 2.8767 3.4541 3.4546 4.1536 4.1546 4.8951 4.8959 5.9285 5.9290 6.4518 6.4519 6.6375 6.6377 7.5243 7.5246 8.2807 8.2813 12.0686 12.0689 12.1132 12.1134 13.7920 13.7921 14.4950 14.4951 k = 0.0256 0.4969 0.4838 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1538 -9.1537 -7.4421 -7.4420 -6.3926 -6.3922 -5.0882 -5.0870 -0.3988 -0.3974 1.9007 1.9011 2.2566 2.2575 2.8693 2.8708 3.4490 3.4495 4.1693 4.1706 4.8844 4.8854 5.9304 5.9311 6.4441 6.4442 6.6555 6.6558 7.5286 7.5290 8.2851 8.2858 12.0834 12.0837 12.1283 12.1286 13.7926 13.7928 14.4965 14.4967 k = 0.0321 0.4877 0.4951 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1458 -9.1457 -7.4421 -7.4420 -6.3920 -6.3915 -5.1068 -5.1054 -0.3917 -0.3900 1.9101 1.9106 2.2364 2.2376 2.8611 2.8629 3.4436 3.4442 4.1886 4.1902 4.8712 4.8724 5.9330 5.9339 6.4342 6.4344 6.6777 6.6781 7.5341 7.5346 8.2907 8.2916 12.1022 12.1026 12.1477 12.1480 13.7934 13.7937 14.4980 14.4983 k = 0.0385 0.4785 0.5063 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1361 -9.1359 -7.4422 -7.4421 -6.3913 -6.3907 -5.1292 -5.1275 -0.3830 -0.3810 1.9207 1.9212 2.2124 2.2137 2.8507 2.8528 3.4389 3.4396 4.2111 4.2130 4.8561 4.8576 5.9363 5.9374 6.4222 6.4224 6.7038 6.7042 7.5406 7.5412 8.2976 8.2987 12.1249 12.1254 12.1712 12.1716 13.7943 13.7947 14.4991 14.4995 k = 0.0449 0.4692 0.5176 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1246 -9.1244 -7.4424 -7.4423 -6.3905 -6.3898 -5.1552 -5.1533 -0.3726 -0.3703 1.9319 1.9324 2.1849 2.1864 2.8380 2.8404 3.4357 3.4365 4.2363 4.2385 4.8395 4.8412 5.9405 5.9418 6.4081 6.4083 6.7330 6.7335 7.5480 7.5487 8.3056 8.3070 12.1514 12.1519 12.1988 12.1993 13.7954 13.7958 14.4994 14.4997 k = 0.0513 0.4600 0.5288 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.1114 -9.1112 -7.4428 -7.4426 -6.3895 -6.3888 -5.1846 -5.1825 -0.3605 -0.3580 1.9430 1.9436 2.1541 2.1558 2.8229 2.8255 3.4349 3.4356 4.2638 4.2663 4.8219 4.8237 5.9457 5.9472 6.3918 6.3921 6.7648 6.7653 7.5562 7.5570 8.3149 8.3164 12.1816 12.1821 12.2305 12.2310 13.7967 13.7971 14.4982 14.4986 k = 0.0577 0.4507 0.5401 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0964 -9.0962 -7.4434 -7.4432 -6.3885 -6.3876 -5.2172 -5.2148 -0.3467 -0.3440 1.9535 1.9541 2.1205 2.1223 2.8053 2.8081 3.4371 3.4379 4.2932 4.2959 4.8037 4.8057 5.9521 5.9538 6.3734 6.3738 6.7986 6.7992 7.5651 7.5660 8.3252 8.3269 12.2152 12.2158 12.2660 12.2666 13.7980 13.7985 14.4951 14.4956 k = 0.0641 0.4415 0.5513 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0798 -9.0796 -7.4443 -7.4440 -6.3873 -6.3864 -5.2526 -5.2499 -0.3312 -0.3283 1.9626 1.9633 2.0844 2.0862 2.7850 2.7881 3.4432 3.4440 4.3240 4.3269 4.7854 4.7876 5.9598 5.9617 6.3529 6.3533 6.8338 6.8345 7.5746 7.5755 8.3365 8.3384 12.2520 12.2527 12.3053 12.3059 13.7995 13.8000 14.4895 14.4900 k = 0.0705 0.4322 0.5626 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0614 -9.0612 -7.4455 -7.4452 -6.3860 -6.3850 -5.2906 -5.2878 -0.3140 -0.3109 1.9699 1.9705 2.0462 2.0480 2.7620 2.7653 3.4537 3.4546 4.3559 4.3591 4.7673 4.7697 5.9690 5.9711 6.3303 6.3307 6.8699 6.8707 7.5844 7.5855 8.3486 8.3507 12.2920 12.2926 12.3481 12.3489 13.8011 13.8017 14.4807 14.4813 k = 0.0769 0.4230 0.5738 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0414 -9.0411 -7.4471 -7.4468 -6.3847 -6.3835 -5.3309 -5.3279 -0.2951 -0.2918 1.9743 1.9753 2.0065 2.0080 2.7363 2.7398 3.4692 3.4700 4.3887 4.3920 4.7498 4.7523 5.9799 5.9823 6.3056 6.3061 6.9064 6.9073 7.5945 7.5956 8.3614 8.3636 12.3348 12.3354 12.3944 12.3952 13.8027 13.8034 14.4684 14.4690 k = 0.0833 0.4137 0.5851 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -9.0197 -9.0194 -7.4493 -7.4489 -6.3832 -6.3820 -5.3733 -5.3701 -0.2744 -0.2710 1.9615 1.9645 1.9791 1.9797 2.7079 2.7115 3.4899 3.4907 4.4219 4.4255 4.7332 4.7358 5.9928 5.9954 6.2788 6.2793 6.9429 6.9438 7.6047 7.6059 8.3746 8.3770 12.3802 12.3809 12.4439 12.4447 13.8044 13.8051 14.4522 14.4528 k = 0.0897 0.4045 0.5963 ( 5828 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9964 -8.9961 -7.4520 -7.4517 -6.3817 -6.3804 -5.4173 -5.4140 -0.2520 -0.2485 1.9196 1.9221 1.9776 1.9777 2.6769 2.6806 3.5159 3.5168 4.4553 4.4591 4.7178 4.7205 6.0079 6.0108 6.2499 6.2506 6.9789 6.9800 7.6149 7.6162 8.3879 8.3905 12.4281 12.4288 12.4963 12.4971 13.8062 13.8070 14.4318 14.4325 k = 0.0962 0.3952 0.6076 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9715 -8.9711 -7.4555 -7.4551 -6.3801 -6.3787 -5.4628 -5.4593 -0.2279 -0.2243 1.8755 1.8779 1.9738 1.9738 2.6432 2.6471 3.5473 3.5481 4.4886 4.4927 4.7036 4.7064 6.0256 6.0287 6.2191 6.2198 7.0143 7.0154 7.6250 7.6264 8.4011 8.4038 12.4783 12.4789 12.5514 12.5523 13.8081 13.8089 14.4073 14.4080 k = 0.1026 0.3860 0.6188 ( 5832 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9450 -8.9446 -7.4598 -7.4594 -6.3785 -6.3770 -5.5093 -5.5056 -0.2021 -0.1985 1.8303 1.8328 1.9670 1.9672 2.6072 2.6112 3.5838 3.5846 4.5216 4.5259 4.6909 4.6938 6.0461 6.0494 6.1863 6.1870 7.0486 7.0498 7.6349 7.6364 8.4137 8.4165 12.5305 12.5311 12.6088 12.6097 13.8100 13.8108 14.3789 14.3795 k = 0.1090 0.3767 0.6301 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.9169 -8.9166 -7.4651 -7.4646 -6.3768 -6.3752 -5.5566 -5.5528 -0.1745 -0.1709 1.7845 1.7869 1.9576 1.9578 2.5689 2.5730 3.6252 3.6260 4.5539 4.5583 4.6798 4.6828 6.0696 6.0732 6.1516 6.1524 7.0817 7.0830 7.6445 7.6460 8.4253 8.4282 12.5845 12.5851 12.6682 12.6692 13.8119 13.8128 14.3469 14.3475 k = 0.1154 0.3675 0.6413 ( 5840 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8873 -8.8870 -7.4714 -7.4710 -6.3750 -6.3733 -5.6042 -5.6003 -0.1454 -0.1418 1.7382 1.7407 1.9456 1.9459 2.5285 2.5328 3.6709 3.6717 4.5851 4.5899 4.6703 4.6733 6.0956 6.0997 6.1157 6.1168 7.1135 7.1148 7.6537 7.6553 8.4355 8.4385 12.6402 12.6408 12.7293 12.7303 13.8140 13.8149 14.3118 14.3125 k = 0.1218 0.3582 0.6526 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8563 -8.8559 -7.4790 -7.4785 -6.3731 -6.3713 -5.6520 -5.6480 -0.1145 -0.1110 1.6917 1.6941 1.9314 1.9319 2.4863 2.4908 3.7206 3.7213 4.6150 4.6201 4.6626 4.6656 6.0760 6.0765 6.1283 6.1319 7.1437 7.1451 7.6624 7.6641 8.4438 8.4469 12.6973 12.6978 12.7916 12.7926 13.8162 13.8171 14.2743 14.2749 k = 0.1282 0.3490 0.6638 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.8238 -8.8234 -7.4879 -7.4874 -6.3712 -6.3693 -5.6995 -5.6954 -0.0821 -0.0786 1.6449 1.6473 1.9155 1.9161 2.4426 2.4471 3.7736 3.7742 4.6422 4.6485 4.6578 4.6598 6.0359 6.0365 6.1627 6.1667 7.1725 7.1738 7.6706 7.6723 8.4497 8.4529 12.7557 12.7562 12.8547 12.8557 13.8185 13.8195 14.2350 14.2356 k = 0.1346 0.3398 0.6751 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7899 -8.7895 -7.4984 -7.4978 -6.3693 -6.3673 -5.7465 -5.7423 -0.0481 -0.0446 1.5982 1.6006 1.8983 1.8990 2.3976 2.4023 3.8295 3.8300 4.6497 4.6543 4.6725 4.6764 5.9940 5.9947 6.2015 6.2058 7.1996 7.2009 7.6783 7.6801 8.4527 8.4560 12.8151 12.8155 12.9180 12.9190 13.8210 13.8220 14.1945 14.1952 k = 0.1410 0.3305 0.6863 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7546 -8.7542 -7.5105 -7.5099 -6.3672 -6.3651 -5.7927 -5.7884 -0.0125 -0.0091 1.5515 1.5539 1.8801 1.8809 2.3516 2.3564 3.8877 3.8881 4.6473 4.6513 4.6969 4.7014 5.9505 5.9512 6.2447 6.2492 7.2251 7.2265 7.6854 7.6872 8.4524 8.4557 12.8752 12.8756 12.9810 12.9820 13.8237 13.8248 14.1536 14.1543 k = 0.1474 0.3213 0.6976 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.7181 -8.7177 -7.5244 -7.5238 -6.3650 -6.3629 -5.8377 -5.8334 0.0245 0.0278 1.5049 1.5073 1.8613 1.8623 2.3050 2.3099 3.9477 3.9480 4.6457 4.6497 4.7197 4.7245 5.9055 5.9062 6.2923 6.2970 7.2490 7.2503 7.6919 7.6938 8.4483 8.4516 12.9360 12.9363 13.0432 13.0441 13.8268 13.8278 14.1129 14.1135 k = 0.1538 0.3120 0.7088 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6803 -8.6799 -7.5402 -7.5396 -6.3628 -6.3605 -5.8813 -5.8770 0.0630 0.0661 1.4585 1.4608 1.8425 1.8436 2.2581 2.2630 4.0090 4.0092 4.6453 4.6494 4.7405 4.7454 5.8589 5.8596 6.3443 6.3491 7.2713 7.2726 7.6979 7.6998 8.4400 8.4433 12.9969 12.9972 13.1039 13.1048 13.8302 13.8313 14.0730 14.0736 k = 0.1603 0.3028 0.7201 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6414 -8.6410 -7.5580 -7.5574 -6.3604 -6.3580 -5.9233 -5.9190 0.1028 0.1058 1.4122 1.4146 1.8238 1.8251 2.2112 2.2162 4.0713 4.0713 4.6462 4.6503 4.7592 4.7641 5.8111 5.8118 6.4006 6.4055 7.2919 7.2932 7.7034 7.7054 8.4272 8.4305 13.0579 13.0581 13.1626 13.1633 13.8342 13.8352 14.0343 14.0349 k = 0.1667 0.2935 0.7313 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.6013 -8.6009 -7.5780 -7.5774 -6.3578 -6.3553 -5.9635 -5.9591 0.1439 0.1468 1.3662 1.3685 1.8057 1.8071 2.1648 2.1698 4.1339 4.1340 4.6482 4.6523 4.7758 4.7807 5.7619 5.7626 6.4609 6.4659 7.3109 7.3121 7.7085 7.7105 8.4097 8.4130 13.1184 13.1186 13.2185 13.2191 13.8386 13.8396 13.9974 13.9980 k = 0.1731 0.2843 0.7426 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.5602 -8.5599 -7.6002 -7.5996 -6.3550 -6.3525 -6.0016 -5.9972 0.1863 0.1890 1.3202 1.3224 1.7885 1.7901 2.1190 2.1241 4.1966 4.1968 4.6512 4.6554 4.7904 4.7953 5.7115 5.7122 6.5249 6.5300 7.3283 7.3294 7.7132 7.7152 8.3873 8.3905 13.1781 13.1782 13.2711 13.2716 13.8436 13.8445 13.9628 13.9633 k = 0.1795 0.2750 0.7538 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.5182 -8.5178 -7.6246 -7.6241 -6.3520 -6.3494 -6.0374 -6.0331 0.2298 0.2323 1.2744 1.2765 1.7725 1.7742 2.0744 2.0795 4.2590 4.2594 4.6550 4.6593 4.8033 4.8081 5.6601 5.6607 6.5923 6.5973 7.3439 7.3450 7.7177 7.7198 8.3599 8.3631 13.2365 13.2365 13.3198 13.3202 13.8491 13.8499 13.9307 13.9313 k = 0.1859 0.2658 0.7651 ( 5858 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.4753 -8.4750 -7.6513 -7.6508 -6.3488 -6.3460 -6.0710 -6.0667 0.2743 0.2767 1.2285 1.2305 1.7579 1.7598 2.0312 2.0363 4.3206 4.3213 4.6596 4.6639 4.8148 4.8194 5.6077 5.6083 6.6624 6.6675 7.3577 7.3587 7.7222 7.7243 8.3277 8.3308 13.2930 13.2930 13.3642 13.3645 13.8551 13.8558 13.9017 13.9022 k = 0.1923 0.2565 0.7763 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.4317 -8.4313 -7.6803 -7.6799 -6.3451 -6.3422 -6.1022 -6.0980 0.3199 0.3221 1.1826 1.1845 1.7450 1.7471 1.9899 1.9949 4.3810 4.3819 4.6648 4.6691 4.8253 4.8297 5.5543 5.5549 6.7346 6.7397 7.3696 7.3704 7.7268 7.7289 8.2909 8.2939 13.3469 13.3471 13.4040 13.4041 13.8613 13.8619 13.8760 13.8764 k = 0.1987 0.2473 0.7876 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.3873 -8.3870 -7.7115 -7.7111 -6.3411 -6.3381 -6.1310 -6.1268 0.3663 0.3683 1.1365 1.1382 1.7341 1.7364 1.9506 1.9556 4.4395 4.4408 4.6703 4.6747 4.8356 4.8397 5.5002 5.5008 6.8083 6.8133 7.3793 7.3800 7.7320 7.7341 8.2497 8.2526 13.3974 13.3977 13.4390 13.4390 13.8540 13.8544 13.8676 13.8679 k = 0.2051 0.2380 0.7989 ( 5842 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.3425 -8.3422 -7.7448 -7.7444 -6.3366 -6.3335 -6.1574 -6.1533 0.4135 0.4152 1.0901 1.0917 1.7254 1.7279 1.9138 1.9187 4.4952 4.4969 4.6761 4.6805 4.8465 4.8503 5.4455 5.4460 6.8824 6.8873 7.3866 7.3870 7.7381 7.7402 8.2047 8.2074 13.4436 13.4440 13.4691 13.4693 13.8364 13.8367 13.8730 13.8733 k = 0.2115 0.2288 0.8101 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2972 -8.2970 -7.7801 -7.7798 -6.3315 -6.3283 -6.1814 -6.1774 0.4613 0.4629 1.0435 1.0449 1.7191 1.7217 1.8797 1.8845 4.5468 4.5491 4.6820 4.6864 4.8595 4.8628 5.3902 5.3906 6.9560 6.9608 7.3909 7.3911 7.7457 7.7476 8.1565 8.1590 13.4841 13.4848 13.4949 13.4951 13.8237 13.8238 13.8773 13.8774 k = 0.2179 0.2195 0.8214 ( 5842 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2517 -8.2514 -7.8173 -7.8170 -6.3257 -6.3224 -6.2032 -6.1993 0.5097 0.5110 0.9965 0.9977 1.7153 1.7182 1.8485 1.8531 4.5926 4.5957 4.6878 4.6921 4.8764 4.8791 5.3345 5.3350 7.0278 7.0325 7.3918 7.3919 7.7553 7.7572 8.1062 8.1084 13.5151 13.5165 13.5191 13.5193 13.8164 13.8164 13.8798 13.8798 k = 0.2244 0.2103 0.8326 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2060 -8.2058 -7.8562 -7.8560 -6.3192 -6.3157 -6.2228 -6.2190 0.5585 0.5596 0.9491 0.9501 1.7143 1.7174 1.8204 1.8249 4.6304 4.6345 4.6933 4.6972 4.8992 4.9013 5.2788 5.2792 7.0965 7.1010 7.3881 7.3886 7.7680 7.7697 8.0548 8.0567 13.5336 13.5346 13.5445 13.5451 13.8150 13.8152 13.8798 13.8800 k = 0.2308 0.2011 0.8439 ( 5832 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1603 -8.1602 -7.8966 -7.8964 -6.3119 -6.3082 -6.2403 -6.2366 0.6076 0.6084 0.9013 0.9020 1.7162 1.7195 1.7955 1.7998 4.6588 4.6641 4.6982 4.7016 4.9296 4.9310 5.2231 5.2235 7.1606 7.1647 7.3792 7.3801 7.7846 7.7861 8.0037 8.0052 13.5482 13.5492 13.5621 13.5629 13.8194 13.8197 13.8771 13.8773 k = 0.2372 0.1918 0.8551 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1148 -8.1147 -7.9383 -7.9382 -6.3036 -6.2997 -6.2558 -6.2524 0.6569 0.6574 0.8531 0.8536 1.7211 1.7247 1.7740 1.7781 4.6773 4.6841 4.7024 4.7048 4.9677 4.9686 5.1680 5.1683 7.2182 7.2219 7.3638 7.3653 7.8065 7.8076 7.9546 7.9556 13.5596 13.5608 13.5721 13.5729 13.8283 13.8287 13.8713 13.8717 k = 0.2436 0.1826 0.8664 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.0697 -8.0696 -7.9812 -7.9811 -6.2945 -6.2900 -6.2692 -6.2664 0.7061 0.7063 0.8047 0.8049 1.7291 1.7331 1.7560 1.7597 4.6871 4.6957 4.7054 4.7064 5.0123 5.0129 5.1139 5.1143 7.2681 7.2712 7.3407 7.3429 7.8344 7.8350 7.9092 7.9097 13.5680 13.5694 13.5757 13.5765 13.8397 13.8401 13.8628 13.8632 k = 0.2500 0.1733 0.8776 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0232 -8.0232 -6.2876 -6.2803 -6.2776 -6.2776 0.7505 0.7505 0.7607 0.7607 1.7378 1.7440 1.7440 1.7455 4.6901 4.6998 4.7066 4.7066 5.0590 5.0590 5.0641 5.0650 7.3089 7.3089 7.3091 7.3143 7.8672 7.8674 7.8706 7.8706 13.5720 13.5742 13.5755 13.5755 13.8505 13.8505 13.8532 13.8541 k = 0.2500 0.1733 0.8776 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0232 -8.0232 -6.2876 -6.2803 -6.2776 -6.2776 0.7505 0.7505 0.7607 0.7607 1.7378 1.7440 1.7440 1.7455 4.6901 4.6998 4.7066 4.7066 5.0590 5.0590 5.0641 5.0650 7.3089 7.3089 7.3091 7.3143 7.8672 7.8674 7.8706 7.8706 13.5720 13.5742 13.5755 13.5755 13.8505 13.8505 13.8532 13.8541 k = 0.2609 0.1808 0.8684 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0498 -8.0498 -8.0006 -8.0005 -6.2904 -6.2853 -6.2741 -6.2722 0.7248 0.7251 0.7831 0.7831 1.7350 1.7392 1.7536 1.7572 4.6811 4.6891 4.7003 4.7014 5.0354 5.0359 5.0995 5.0999 7.2869 7.2897 7.3288 7.3312 7.8486 7.8489 7.8915 7.8918 13.5698 13.5719 13.5734 13.5735 13.8448 13.8451 13.8620 13.8625 k = 0.2717 0.1884 0.8593 ( 5840 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.0729 -8.0729 -7.9784 -7.9783 -6.2945 -6.2902 -6.2683 -6.2657 0.6917 0.6922 0.8072 0.8073 1.7345 1.7384 1.7741 1.7781 4.6544 4.6602 4.6842 4.6867 5.0176 5.0182 5.1485 5.1486 7.2633 7.2663 7.3457 7.3476 7.8320 7.8327 7.9155 7.9161 13.5632 13.5649 13.5681 13.5685 13.8376 13.8380 13.8775 13.8780 k = 0.2826 0.1959 0.8501 ( 5842 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.0944 -8.0943 -7.9587 -7.9586 -6.2977 -6.2939 -6.2620 -6.2593 0.6569 0.6576 0.8282 0.8284 1.7389 1.7427 1.8021 1.8062 4.6167 4.6214 4.6576 4.6603 5.0093 5.0097 5.2016 5.2018 7.2392 7.2424 7.3584 7.3597 7.8202 7.8212 7.9403 7.9411 13.5510 13.5521 13.5626 13.5635 13.8304 13.8309 13.8966 13.8971 k = 0.2935 0.2035 0.8409 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1143 -8.1142 -7.9415 -7.9413 -6.2998 -6.2963 -6.2557 -6.2529 0.6218 0.6226 0.8457 0.8460 1.7487 1.7523 1.8362 1.8404 4.5730 4.5768 4.6207 4.6231 5.0094 5.0096 5.2545 5.2548 7.2153 7.2186 7.3657 7.3665 7.8142 7.8155 7.9652 7.9662 13.5354 13.5364 13.5562 13.5571 13.8236 13.8241 13.9173 13.9178 k = 0.3043 0.2110 0.8318 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1326 -8.1324 -7.9271 -7.9268 -6.3005 -6.2974 -6.2493 -6.2465 0.5873 0.5883 0.8593 0.8597 1.7641 1.7674 1.8752 1.8794 4.5256 4.5290 4.5754 4.5775 5.0158 5.0158 5.3046 5.3051 7.1925 7.1959 7.3670 7.3671 7.8146 7.8163 7.9897 7.9909 13.5179 13.5188 13.5486 13.5495 13.8173 13.8179 13.9383 13.9388 k = 0.3152 0.2185 0.8226 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1491 -8.1489 -7.9155 -7.9151 -6.2998 -6.2971 -6.2429 -6.2401 0.5546 0.5556 0.8688 0.8694 1.7850 1.7881 1.9183 1.9225 4.4762 4.4792 4.5242 4.5259 5.0262 5.0264 5.3503 5.3509 7.1712 7.1747 7.3616 7.3619 7.8215 7.8236 8.0134 8.0147 13.4995 13.5003 13.5397 13.5406 13.8118 13.8124 13.9584 13.9589 k = 0.3261 0.2261 0.8134 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1640 -8.1637 -7.9068 -7.9064 -6.2978 -6.2953 -6.2365 -6.2337 0.5243 0.5254 0.8744 0.8752 1.8113 1.8142 1.9644 1.9686 4.4256 4.4282 4.4690 4.4703 5.0390 5.0393 5.3905 5.3911 7.1521 7.1556 7.3502 7.3510 7.8345 7.8368 8.0360 8.0374 13.4808 13.4815 13.5295 13.5303 13.8072 13.8078 13.9769 13.9774 k = 0.3370 0.2336 0.8043 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1771 -8.1768 -7.9012 -7.9007 -6.2944 -6.2922 -6.2300 -6.2272 0.4970 0.4983 0.8761 0.8771 1.8427 1.8454 2.0129 2.0170 4.3744 4.3768 4.4114 4.4123 5.0532 5.0535 5.4243 5.4251 7.1353 7.1389 7.3340 7.3352 7.8526 7.8550 8.0573 8.0587 13.4621 13.4628 13.5180 13.5189 13.8035 13.8041 13.9931 13.9935 k = 0.3478 0.2411 0.7951 ( 5858 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1885 -8.1881 -7.8986 -7.8980 -6.2896 -6.2877 -6.2234 -6.2207 0.4733 0.4747 0.8743 0.8755 1.8787 1.8811 2.0630 2.0671 4.3231 4.3253 4.3525 4.3530 5.0678 5.0681 5.4514 5.4521 7.1211 7.1247 7.3140 7.3155 7.8746 7.8771 8.0770 8.0784 13.4438 13.4444 13.5055 13.5063 13.8008 13.8014 14.0065 14.0069 k = 0.3587 0.2487 0.7859 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1982 -8.1977 -7.8991 -7.8985 -6.2835 -6.2819 -6.2167 -6.2141 0.4537 0.4552 0.8694 0.8707 1.9187 1.9209 2.1141 2.1181 4.2720 4.2743 4.2934 4.2934 5.0823 5.0826 5.4713 5.4721 7.1096 7.1132 7.2912 7.2929 7.8994 7.9020 8.0950 8.0965 13.4260 13.4265 13.4920 13.4928 13.7990 13.7995 14.0168 14.0171 k = 0.3696 0.2562 0.7768 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2061 -8.2056 -7.9027 -7.9020 -6.2761 -6.2748 -6.2099 -6.2073 0.4383 0.4399 0.8615 0.8631 1.9622 1.9640 2.1654 2.1693 4.2213 4.2240 4.2343 4.2352 5.0964 5.0966 5.4839 5.4847 7.1006 7.1042 7.2665 7.2684 7.9262 7.9287 8.1114 8.1129 13.4090 13.4095 13.4776 13.4784 13.7979 13.7985 14.0235 14.0238 k = 0.3804 0.2637 0.7676 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2123 -8.2117 -7.9094 -7.9086 -6.2674 -6.2665 -6.2030 -6.2004 0.4275 0.4292 0.8512 0.8530 2.0084 2.0100 2.2163 2.2201 4.1703 4.1741 4.1774 4.1797 5.1097 5.1099 5.4894 5.4902 7.0938 7.0974 7.2406 7.2427 7.9541 7.9566 8.1260 8.1275 13.3929 13.3933 13.4625 13.4633 13.7976 13.7982 14.0263 14.0266 k = 0.3913 0.2713 0.7584 ( 5853 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2167 -8.2161 -7.9192 -7.9183 -6.2576 -6.2570 -6.1959 -6.1934 0.4215 0.4234 0.8388 0.8407 2.0567 2.0580 2.2659 2.2696 4.1177 4.1199 4.1283 4.1294 5.1222 5.1223 5.4879 5.4887 7.0887 7.0922 7.2141 7.2163 7.9825 7.9850 8.1390 8.1405 13.3777 13.3781 13.4470 13.4477 13.7977 13.7983 14.0252 14.0253 k = 0.4022 0.2788 0.7492 ( 5847 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2193 -8.2186 -7.9319 -7.9309 -6.2468 -6.2465 -6.1887 -6.1862 0.4205 0.4224 0.8244 0.8265 2.1065 2.1075 2.3136 2.3172 4.0657 4.0669 4.0827 4.0832 5.1336 5.1337 5.4798 5.4806 7.0847 7.0882 7.1874 7.1898 8.0110 8.0135 8.1504 8.1520 13.3636 13.3639 13.4310 13.4317 13.7982 13.7988 14.0198 14.0198 k = 0.4130 0.2863 0.7401 ( 5847 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2202 -8.2194 -7.9475 -7.9465 -6.2350 -6.2349 -6.1813 -6.1789 0.4244 0.4265 0.8084 0.8107 2.1572 2.1579 2.3584 2.3619 4.0167 4.0174 4.0396 4.0399 5.1440 5.1440 5.4656 5.4663 7.0812 7.0846 7.1609 7.1635 8.0392 8.0415 8.1605 8.1621 13.3507 13.3510 13.4149 13.4155 13.7989 13.7995 14.0101 14.0101 k = 0.4239 0.2939 0.7309 ( 5841 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2192 -8.2184 -7.9659 -7.9649 -6.2225 -6.2222 -6.1736 -6.1713 0.4335 0.4357 0.7910 0.7934 2.2081 2.2085 2.3995 2.4029 3.9719 3.9723 3.9994 3.9996 5.1533 5.1534 5.4458 5.4465 7.0772 7.0807 7.1350 7.1377 8.0666 8.0689 8.1694 8.1711 13.3390 13.3392 13.3986 13.3992 13.7995 13.8001 13.9960 13.9962 k = 0.4348 0.3014 0.7217 ( 5841 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2165 -8.2157 -7.9870 -7.9859 -6.2092 -6.2087 -6.1658 -6.1636 0.4477 0.4500 0.7722 0.7747 2.2585 2.2586 2.4359 2.4391 3.9322 3.9325 3.9624 3.9626 5.1615 5.1617 5.4211 5.4218 7.0722 7.0756 7.1098 7.1126 8.0931 8.0954 8.1775 8.1791 13.3286 13.3287 13.3825 13.3830 13.7999 13.8005 13.9776 13.9779 k = 0.4457 0.3089 0.7126 ( 5843 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2121 -8.2111 -8.0107 -8.0095 -6.1952 -6.1944 -6.1578 -6.1556 0.4669 0.4693 0.7522 0.7549 2.3077 2.3079 2.4665 2.4696 3.8986 3.8987 3.9292 3.9294 5.1689 5.1691 5.3920 5.3926 7.0652 7.0686 7.0856 7.0885 8.1185 8.1206 8.1849 8.1866 13.3195 13.3195 13.3665 13.3670 13.7998 13.8004 13.9551 13.9554 k = 0.4565 0.3165 0.7034 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.2058 -8.2048 -8.0368 -8.0356 -6.1805 -6.1795 -6.1495 -6.1474 0.4912 0.4938 0.7311 0.7339 2.3549 2.3554 2.4907 2.4936 3.8716 3.8716 3.9003 3.9005 5.1756 5.1759 5.3591 5.3597 7.0556 7.0587 7.0627 7.0654 8.1425 8.1446 8.1921 8.1938 13.3117 13.3117 13.3509 13.3513 13.7991 13.7997 13.9285 13.9289 k = 0.4674 0.3240 0.6942 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1978 -8.1967 -8.0653 -8.0640 -6.1652 -6.1640 -6.1410 -6.1390 0.5204 0.5231 0.7090 0.7119 2.3997 2.4005 2.5077 2.5103 3.8518 3.8518 3.8762 3.8764 5.1817 5.1821 5.3229 5.3235 7.0399 7.0419 7.0444 7.0467 8.1650 8.1670 8.1992 8.2009 13.3052 13.3053 13.3357 13.3361 13.7975 13.7981 13.8980 13.8984 k = 0.4783 0.3316 0.6851 ( 5840 PWs) bands (ev): -92.7786 -92.7786 -92.7785 -92.7785 -8.1880 -8.1869 -8.0959 -8.0946 -6.1495 -6.1481 -6.1321 -6.1302 0.5544 0.5573 0.6858 0.6888 2.4413 2.4425 2.5170 2.5194 3.8392 3.8392 3.8575 3.8576 5.1876 5.1880 5.2840 5.2846 7.0192 7.0222 7.0269 7.0302 8.1859 8.1878 8.2066 8.2083 13.3002 13.3003 13.3211 13.3215 13.7948 13.7954 13.8638 13.8644 k = 0.4891 0.3391 0.6759 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1765 -8.1753 -8.1285 -8.1273 -6.1335 -6.1323 -6.1224 -6.1209 0.5931 0.5961 0.6618 0.6648 2.4792 2.4807 2.5186 2.5208 3.8335 3.8335 3.8449 3.8450 5.1936 5.1940 5.2430 5.2435 6.9995 7.0026 7.0065 7.0096 8.2051 8.2069 8.2144 8.2162 13.2965 13.2966 13.3072 13.3075 13.7909 13.7915 13.8262 13.8268 k = 0.5000 0.3466 0.6667 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1645 -8.1645 -8.1606 -8.1606 -6.1183 -6.1183 -6.1102 -6.1102 0.6344 0.6344 0.6416 0.6416 2.5121 2.5121 2.5154 2.5154 3.8326 3.8326 3.8401 3.8401 5.1989 5.1989 5.2020 5.2020 6.9809 6.9809 6.9851 6.9851 8.2222 8.2222 8.2249 8.2249 13.2941 13.2941 13.2945 13.2945 13.7849 13.7849 13.7867 13.7867 k = 0.5000 0.3466 0.6667 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1645 -8.1645 -8.1606 -8.1606 -6.1183 -6.1183 -6.1102 -6.1102 0.6344 0.6344 0.6416 0.6416 2.5121 2.5121 2.5154 2.5154 3.8326 3.8326 3.8401 3.8401 5.1989 5.1989 5.2020 5.2020 6.9809 6.9809 6.9851 6.9851 8.2222 8.2222 8.2249 8.2249 13.2941 13.2941 13.2945 13.2945 13.7849 13.7849 13.7867 13.7867 k = 0.5000 0.3466 0.6509 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.1834 -8.1834 -8.1793 -8.1793 -6.0950 -6.0950 -6.0867 -6.0867 0.6518 0.6518 0.6593 0.6593 2.5315 2.5315 2.5349 2.5349 3.8324 3.8324 3.8401 3.8401 5.1674 5.1674 5.1703 5.1703 6.9423 6.9423 6.9465 6.9465 8.2431 8.2431 8.2459 8.2459 13.2813 13.2813 13.2818 13.2818 13.7420 13.7420 13.7439 13.7439 k = 0.5000 0.3466 0.6350 ( 5858 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.2030 -8.2030 -8.1989 -8.1989 -6.0704 -6.0704 -6.0620 -6.0620 0.6697 0.6697 0.6777 0.6777 2.5517 2.5517 2.5551 2.5551 3.8313 3.8313 3.8393 3.8393 5.1363 5.1363 5.1390 5.1390 6.9040 6.9040 6.9082 6.9082 8.2623 8.2623 8.2651 8.2651 13.2679 13.2679 13.2684 13.2684 13.6973 13.6973 13.6991 13.6991 k = 0.5000 0.3466 0.6191 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.2233 -8.2233 -8.2191 -8.2191 -6.0448 -6.0448 -6.0362 -6.0362 0.6882 0.6882 0.6965 0.6965 2.5724 2.5724 2.5759 2.5759 3.8291 3.8291 3.8374 3.8374 5.1061 5.1061 5.1087 5.1087 6.8661 6.8661 6.8704 6.8704 8.2797 8.2797 8.2825 8.2825 13.2538 13.2538 13.2544 13.2544 13.6510 13.6510 13.6528 13.6528 k = 0.5000 0.3466 0.6032 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.2441 -8.2441 -8.2398 -8.2398 -6.0181 -6.0181 -6.0093 -6.0093 0.7071 0.7071 0.7157 0.7157 2.5935 2.5935 2.5971 2.5971 3.8257 3.8257 3.8343 3.8343 5.0773 5.0773 5.0796 5.0796 6.8287 6.8287 6.8330 6.8330 8.2953 8.2953 8.2982 8.2982 13.2390 13.2390 13.2396 13.2396 13.6032 13.6032 13.6050 13.6050 k = 0.5000 0.3466 0.5874 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.2654 -8.2654 -8.2610 -8.2610 -5.9904 -5.9904 -5.9815 -5.9815 0.7261 0.7261 0.7351 0.7351 2.6150 2.6150 2.6185 2.6185 3.8211 3.8211 3.8299 3.8299 5.0502 5.0502 5.0523 5.0523 6.7918 6.7918 6.7961 6.7961 8.3093 8.3093 8.3122 8.3122 13.2234 13.2234 13.2241 13.2241 13.5543 13.5543 13.5560 13.5560 k = 0.5000 0.3466 0.5715 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.2870 -8.2870 -8.2827 -8.2827 -5.9618 -5.9618 -5.9529 -5.9529 0.7452 0.7452 0.7545 0.7545 2.6365 2.6365 2.6400 2.6400 3.8152 3.8152 3.8242 3.8242 5.0252 5.0252 5.0271 5.0271 6.7553 6.7553 6.7596 6.7596 8.3217 8.3217 8.3247 8.3247 13.2067 13.2067 13.2076 13.2076 13.5046 13.5046 13.5063 13.5063 k = 0.5000 0.3466 0.5556 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.3089 -8.3089 -8.3046 -8.3046 -5.9324 -5.9324 -5.9234 -5.9234 0.7642 0.7642 0.7737 0.7737 2.6581 2.6581 2.6615 2.6615 3.8080 3.8080 3.8172 3.8172 5.0025 5.0025 5.0042 5.0042 6.7194 6.7194 6.7237 6.7237 8.3327 8.3327 8.3358 8.3358 13.1886 13.1886 13.1896 13.1896 13.4547 13.4547 13.4563 13.4563 k = 0.5000 0.3466 0.5397 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.3311 -8.3311 -8.3267 -8.3267 -5.9023 -5.9023 -5.8932 -5.8932 0.7829 0.7829 0.7926 0.7926 2.6795 2.6795 2.6829 2.6829 3.7996 3.7996 3.8090 3.8090 4.9824 4.9824 4.9838 4.9838 6.6839 6.6839 6.6883 6.6883 8.3425 8.3425 8.3457 8.3457 13.1683 13.1683 13.1696 13.1696 13.4055 13.4055 13.4072 13.4072 k = 0.5000 0.3466 0.5239 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.3533 -8.3533 -8.3490 -8.3490 -5.8715 -5.8715 -5.8624 -5.8624 0.8010 0.8010 0.8110 0.8110 2.7007 2.7007 2.7039 2.7039 3.7901 3.7901 3.7997 3.7997 4.9649 4.9649 4.9661 4.9661 6.6490 6.6490 6.6535 6.6535 8.3513 8.3513 8.3545 8.3545 13.1448 13.1448 13.1463 13.1463 13.3583 13.3583 13.3601 13.3601 k = 0.5000 0.3466 0.5080 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.3756 -8.3756 -8.3713 -8.3713 -5.8401 -5.8401 -5.8310 -5.8310 0.8185 0.8185 0.8286 0.8286 2.7214 2.7214 2.7245 2.7245 3.7799 3.7799 3.7896 3.7896 4.9499 4.9499 4.9509 4.9509 6.6147 6.6147 6.6191 6.6191 8.3592 8.3592 8.3625 8.3625 13.1164 13.1164 13.1181 13.1181 13.3151 13.3151 13.3170 13.3170 k = 0.5000 0.3466 0.4921 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.3979 -8.3979 -8.3936 -8.3936 -5.8082 -5.8082 -5.7991 -5.7991 0.8350 0.8350 0.8453 0.8453 2.7416 2.7416 2.7446 2.7446 3.7691 3.7691 3.7789 3.7789 4.9374 4.9374 4.9383 4.9383 6.5809 6.5809 6.5854 6.5854 8.3665 8.3665 8.3699 8.3699 13.0815 13.0815 13.0833 13.0833 13.2779 13.2779 13.2797 13.2797 k = 0.5000 0.3466 0.4762 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.4201 -8.4201 -8.4159 -8.4159 -5.7758 -5.7758 -5.7668 -5.7668 0.8504 0.8504 0.8609 0.8609 2.7613 2.7613 2.7642 2.7642 3.7581 3.7581 3.7681 3.7681 4.9272 4.9272 4.9280 4.9280 6.5477 6.5477 6.5523 6.5523 8.3735 8.3735 8.3770 8.3770 13.0391 13.0391 13.0411 13.0411 13.2477 13.2477 13.2494 13.2494 k = 0.5000 0.3466 0.4604 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.4421 -8.4421 -8.4380 -8.4380 -5.7431 -5.7431 -5.7341 -5.7341 0.8645 0.8645 0.8751 0.8751 2.7804 2.7804 2.7832 2.7832 3.7473 3.7473 3.7573 3.7573 4.9189 4.9189 4.9198 4.9198 6.5152 6.5152 6.5198 6.5198 8.3805 8.3805 8.3840 8.3840 12.9900 12.9900 12.9918 12.9918 13.2244 13.2244 13.2259 13.2259 k = 0.5000 0.3466 0.4445 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.4639 -8.4639 -8.4599 -8.4599 -5.7101 -5.7101 -5.7012 -5.7012 0.8771 0.8771 0.8878 0.8878 2.7989 2.7989 2.8016 2.8016 3.7369 3.7369 3.7470 3.7470 4.9122 4.9122 4.9133 4.9133 6.4833 6.4833 6.4880 6.4880 8.3875 8.3875 8.3911 8.3911 12.9354 12.9354 12.9372 12.9372 13.2066 13.2066 13.2080 13.2080 k = 0.5000 0.3466 0.4286 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.4855 -8.4855 -8.4816 -8.4816 -5.6769 -5.6769 -5.6681 -5.6681 0.8880 0.8880 0.8987 0.8987 2.8169 2.8169 2.8195 2.8195 3.7274 3.7274 3.7376 3.7376 4.9069 4.9069 4.9082 4.9082 6.4521 6.4521 6.4568 6.4568 8.3950 8.3950 8.3986 8.3986 12.8769 12.8769 12.8787 12.8787 13.1933 13.1933 13.1945 13.1945 k = 0.5000 0.3466 0.4127 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.5067 -8.5067 -8.5029 -8.5029 -5.6436 -5.6436 -5.6349 -5.6349 0.8970 0.8970 0.9077 0.9077 2.8344 2.8344 2.8369 2.8369 3.7190 3.7190 3.7292 3.7292 4.9025 4.9025 4.9041 4.9041 6.4216 6.4216 6.4264 6.4264 8.4031 8.4031 8.4067 8.4067 12.8158 12.8158 12.8175 12.8175 13.1833 13.1833 13.1844 13.1844 k = 0.5000 0.3466 0.3969 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.5276 -8.5276 -8.5238 -8.5238 -5.6103 -5.6103 -5.6018 -5.6018 0.9039 0.9039 0.9146 0.9146 2.8517 2.8517 2.8542 2.8542 3.7120 3.7120 3.7222 3.7222 4.8987 4.8987 4.9005 4.9005 6.3919 6.3919 6.3968 6.3968 8.4121 8.4121 8.4157 8.4157 12.7529 12.7529 12.7546 12.7546 13.1763 13.1763 13.1772 13.1772 k = 0.5000 0.3466 0.3810 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.5480 -8.5480 -8.5443 -8.5443 -5.5770 -5.5770 -5.5687 -5.5687 0.9087 0.9087 0.9192 0.9192 2.8688 2.8688 2.8713 2.8713 3.7064 3.7064 3.7166 3.7166 4.8950 4.8950 4.8972 4.8972 6.3630 6.3630 6.3680 6.3680 8.4222 8.4222 8.4258 8.4258 12.6889 12.6889 12.6906 12.6906 13.1716 13.1716 13.1725 13.1725 k = 0.5000 0.3466 0.3651 ( 5834 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.5679 -8.5679 -8.5644 -8.5644 -5.5439 -5.5439 -5.5357 -5.5357 0.9112 0.9112 0.9216 0.9216 2.8860 2.8860 2.8886 2.8886 3.7024 3.7024 3.7125 3.7125 4.8911 4.8911 4.8936 4.8936 6.3350 6.3350 6.3400 6.3400 8.4335 8.4335 8.4371 8.4371 12.6243 12.6243 12.6260 12.6260 13.1693 13.1693 13.1700 13.1700 k = 0.5000 0.3466 0.3492 ( 5838 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.5873 -8.5873 -8.5839 -8.5839 -5.5111 -5.5111 -5.5031 -5.5031 0.9114 0.9114 0.9217 0.9217 2.9036 2.9036 2.9062 2.9062 3.6999 3.6999 3.7100 3.7100 4.8868 4.8868 4.8895 4.8895 6.3079 6.3079 6.3130 6.3130 8.4462 8.4462 8.4497 8.4497 12.5596 12.5596 12.5613 12.5613 13.1691 13.1691 13.1698 13.1698 k = 0.5000 0.3466 0.3334 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.6061 -8.6061 -8.6028 -8.6028 -5.4786 -5.4786 -5.4708 -5.4708 0.9094 0.9094 0.9194 0.9194 2.9217 2.9217 2.9245 2.9245 3.6990 3.6990 3.7090 3.7090 4.8816 4.8816 4.8845 4.8845 6.2818 6.2818 6.2869 6.2869 8.4604 8.4604 8.4639 8.4639 12.4950 12.4950 12.4967 12.4967 13.1710 13.1710 13.1716 13.1716 k = 0.5000 0.3466 0.3175 ( 5842 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.6243 -8.6243 -8.6212 -8.6212 -5.4466 -5.4466 -5.4390 -5.4390 0.9050 0.9050 0.9149 0.9149 2.9407 2.9407 2.9435 2.9435 3.6994 3.6994 3.7093 3.7093 4.8753 4.8753 4.8786 4.8786 6.2566 6.2566 6.2618 6.2618 8.4762 8.4762 8.4795 8.4795 12.4310 12.4310 12.4326 12.4326 13.1749 13.1749 13.1755 13.1755 k = 0.5000 0.3466 0.3016 ( 5842 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.6418 -8.6418 -8.6388 -8.6388 -5.4151 -5.4151 -5.4078 -5.4078 0.8986 0.8986 0.9081 0.9081 2.9606 2.9606 2.9635 2.9635 3.7010 3.7010 3.7109 3.7109 4.8679 4.8679 4.8713 4.8713 6.2325 6.2325 6.2376 6.2376 8.4936 8.4936 8.4968 8.4968 12.3676 12.3676 12.3693 12.3693 13.1809 13.1809 13.1814 13.1814 k = 0.5000 0.3466 0.2857 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.6587 -8.6587 -8.6558 -8.6558 -5.3843 -5.3843 -5.3772 -5.3772 0.8901 0.8901 0.8993 0.8993 2.9816 2.9816 2.9846 2.9846 3.7037 3.7037 3.7134 3.7134 4.8591 4.8591 4.8627 4.8627 6.2094 6.2094 6.2146 6.2146 8.5125 8.5125 8.5156 8.5156 12.3053 12.3053 12.3070 12.3070 13.1887 13.1887 13.1892 13.1892 k = 0.5000 0.3466 0.2699 ( 5840 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.6748 -8.6748 -8.6721 -8.6721 -5.3543 -5.3543 -5.3475 -5.3475 0.8798 0.8798 0.8887 0.8887 3.0038 3.0038 3.0070 3.0070 3.7071 3.7071 3.7166 3.7166 4.8488 4.8488 4.8526 4.8526 6.1875 6.1875 6.1925 6.1925 8.5328 8.5328 8.5358 8.5358 12.2443 12.2443 12.2459 12.2459 13.1984 13.1984 13.1989 13.1989 k = 0.5000 0.3466 0.2540 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.6902 -8.6902 -8.6876 -8.6876 -5.3251 -5.3251 -5.3186 -5.3186 0.8680 0.8680 0.8764 0.8764 3.0273 3.0273 3.0306 3.0306 3.7111 3.7111 3.7205 3.7205 4.8371 4.8371 4.8410 4.8410 6.1666 6.1666 6.1716 6.1716 8.5546 8.5546 8.5574 8.5574 12.1849 12.1849 12.1864 12.1864 13.2099 13.2099 13.2103 13.2103 k = 0.5000 0.3466 0.2381 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7047 -8.7047 -8.7023 -8.7023 -5.2970 -5.2970 -5.2908 -5.2908 0.8548 0.8548 0.8629 0.8629 3.0520 3.0520 3.0554 3.0554 3.7154 3.7154 3.7246 3.7246 4.8240 4.8240 4.8280 4.8280 6.1469 6.1469 6.1518 6.1518 8.5775 8.5775 8.5801 8.5801 12.1272 12.1272 12.1287 12.1287 13.2231 13.2231 13.2235 13.2235 k = 0.5000 0.3466 0.2222 ( 5858 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7185 -8.7185 -8.7163 -8.7163 -5.2700 -5.2700 -5.2641 -5.2641 0.8406 0.8406 0.8482 0.8482 3.0779 3.0779 3.0813 3.0813 3.7198 3.7198 3.7288 3.7288 4.8097 4.8097 4.8137 4.8137 6.1284 6.1284 6.1332 6.1332 8.6013 8.6013 8.6038 8.6038 12.0715 12.0715 12.0730 12.0730 13.2377 13.2377 13.2382 13.2382 k = 0.5000 0.3466 0.2064 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7314 -8.7314 -8.7293 -8.7293 -5.2442 -5.2442 -5.2386 -5.2386 0.8257 0.8257 0.8328 0.8328 3.1048 3.1048 3.1083 3.1083 3.7241 3.7241 3.7328 3.7328 4.7942 4.7942 4.7983 4.7983 6.1111 6.1111 6.1156 6.1156 8.6258 8.6258 8.6281 8.6281 12.0181 12.0181 12.0196 12.0196 13.2538 13.2538 13.2542 13.2542 k = 0.5000 0.3466 0.1905 ( 5856 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7435 -8.7435 -8.7415 -8.7415 -5.2197 -5.2197 -5.2145 -5.2145 0.8103 0.8103 0.8170 0.8170 3.1325 3.1325 3.1361 3.1361 3.7280 3.7280 3.7365 3.7365 4.7778 4.7778 4.7819 4.7819 6.0949 6.0949 6.0993 6.0993 8.6507 8.6507 8.6529 8.6529 11.9672 11.9672 11.9686 11.9686 13.2710 13.2710 13.2713 13.2713 k = 0.5000 0.3466 0.1746 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7546 -8.7546 -8.7529 -8.7529 -5.1967 -5.1967 -5.1919 -5.1919 0.7949 0.7949 0.8011 0.8011 3.1607 3.1607 3.1644 3.1644 3.7315 3.7315 3.7397 3.7397 4.7608 4.7608 4.7648 4.7648 6.0800 6.0800 6.0841 6.0841 8.6757 8.6757 8.6776 8.6776 11.9191 11.9191 11.9205 11.9205 13.2890 13.2890 13.2894 13.2894 k = 0.5000 0.3466 0.1587 ( 5852 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7649 -8.7649 -8.7633 -8.7633 -5.1752 -5.1752 -5.1708 -5.1708 0.7796 0.7796 0.7853 0.7853 3.1893 3.1893 3.1929 3.1929 3.7342 3.7342 3.7421 3.7421 4.7435 4.7435 4.7473 4.7473 6.0663 6.0663 6.0702 6.0702 8.7003 8.7003 8.7020 8.7020 11.8740 11.8740 11.8753 11.8753 13.3076 13.3076 13.3079 13.3079 k = 0.5000 0.3466 0.1429 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7742 -8.7742 -8.7727 -8.7727 -5.1554 -5.1554 -5.1514 -5.1514 0.7649 0.7649 0.7700 0.7700 3.2177 3.2177 3.2214 3.2214 3.7361 3.7361 3.7436 3.7436 4.7262 4.7262 4.7299 4.7299 6.0538 6.0538 6.0574 6.0574 8.7242 8.7242 8.7258 8.7258 11.8322 11.8322 11.8334 11.8334 13.3264 13.3264 13.3267 13.3267 k = 0.5000 0.3466 0.1270 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7826 -8.7826 -8.7813 -8.7813 -5.1374 -5.1374 -5.1338 -5.1338 0.7509 0.7509 0.7555 0.7555 3.2457 3.2457 3.2493 3.2493 3.7372 3.7372 3.7443 3.7443 4.7093 4.7093 4.7128 4.7128 6.0426 6.0426 6.0459 6.0459 8.7470 8.7470 8.7484 8.7484 11.7940 11.7940 11.7950 11.7950 13.3450 13.3450 13.3453 13.3453 k = 0.5000 0.3466 0.1111 ( 5840 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7900 -8.7900 -8.7889 -8.7889 -5.1212 -5.1212 -5.1180 -5.1180 0.7379 0.7379 0.7420 0.7420 3.2728 3.2728 3.2763 3.2763 3.7374 3.7374 3.7440 3.7440 4.6932 4.6932 4.6964 4.6964 6.0328 6.0328 6.0357 6.0357 8.7683 8.7683 8.7695 8.7695 11.7594 11.7594 11.7604 11.7604 13.3629 13.3629 13.3632 13.3632 k = 0.5000 0.3466 0.0952 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.7964 -8.7964 -8.7955 -8.7955 -5.1070 -5.1070 -5.1042 -5.1042 0.7263 0.7263 0.7298 0.7298 3.2983 3.2983 3.3016 3.3016 3.7367 3.7367 3.7427 3.7427 4.6783 4.6783 4.6811 4.6811 6.0242 6.0242 6.0267 6.0267 8.7877 8.7877 8.7887 8.7887 11.7290 11.7290 11.7298 11.7298 13.3798 13.3798 13.3801 13.3801 k = 0.5000 0.3466 0.0794 ( 5850 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8019 -8.8019 -8.8011 -8.8011 -5.0947 -5.0947 -5.0925 -5.0925 0.7161 0.7161 0.7190 0.7190 3.3218 3.3218 3.3248 3.3248 3.7353 3.7353 3.7407 3.7407 4.6649 4.6649 4.6674 4.6674 6.0169 6.0169 6.0190 6.0190 8.8048 8.8048 8.8057 8.8057 11.7027 11.7027 11.7034 11.7034 13.3951 13.3951 13.3953 13.3953 k = 0.5000 0.3466 0.0635 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8064 -8.8064 -8.8057 -8.8057 -5.0846 -5.0846 -5.0828 -5.0828 0.7075 0.7075 0.7099 0.7099 3.3425 3.3425 3.3452 3.3452 3.7336 3.7336 3.7381 3.7381 4.6535 4.6535 4.6555 4.6555 6.0110 6.0110 6.0127 6.0127 8.8193 8.8193 8.8200 8.8200 11.6810 11.6810 11.6815 11.6815 13.4084 13.4084 13.4086 13.4086 k = 0.5000 0.3466 0.0476 ( 5870 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8098 -8.8098 -8.8093 -8.8093 -5.0766 -5.0766 -5.0752 -5.0752 0.7008 0.7008 0.7026 0.7026 3.3598 3.3598 3.3620 3.3620 3.7317 3.7317 3.7353 3.7353 4.6442 4.6442 4.6458 4.6458 6.0064 6.0064 6.0077 6.0077 8.8310 8.8310 8.8315 8.8315 11.6638 11.6638 11.6643 11.6643 13.4193 13.4193 13.4194 13.4194 k = 0.5000 0.3466 0.0317 ( 5866 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8123 -8.8123 -8.8120 -8.8120 -5.0708 -5.0708 -5.0699 -5.0699 0.6960 0.6960 0.6972 0.6972 3.3730 3.3730 3.3745 3.3745 3.7302 3.7302 3.7327 3.7327 4.6376 4.6376 4.6386 4.6386 6.0032 6.0032 6.0040 6.0040 8.8395 8.8395 8.8399 8.8399 11.6515 11.6515 11.6518 11.6518 13.4273 13.4273 13.4274 13.4274 k = 0.5000 0.3466 0.0159 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8137 -8.8137 -8.8136 -8.8136 -5.0672 -5.0672 -5.0667 -5.0667 0.6932 0.6932 0.6938 0.6938 3.3813 3.3813 3.3821 3.3821 3.7293 3.7293 3.7306 3.7306 4.6336 4.6336 4.6341 4.6341 6.0013 6.0013 6.0018 6.0018 8.8448 8.8448 8.8449 8.8449 11.6441 11.6441 11.6442 11.6442 13.4323 13.4323 13.4324 13.4324 k = 0.5000 0.3466 0.0000 ( 5862 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.8141 -8.8141 -8.8141 -8.8141 -5.0658 -5.0658 -5.0658 -5.0658 0.6924 0.6924 0.6924 0.6924 3.3844 3.3844 3.3844 3.3844 3.7294 3.7294 3.7294 3.7294 4.6324 4.6324 4.6324 4.6324 6.0009 6.0009 6.0009 6.0009 8.8466 8.8466 8.8466 8.8466 11.6417 11.6417 11.6417 11.6417 13.4340 13.4340 13.4340 13.4340 k = 0.0000 0.0000 0.8776 ( 5872 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0261 -8.0261 -8.0261 -8.0261 -6.2798 -6.2798 -6.2746 -6.2746 0.5111 0.5111 0.5136 0.5136 2.3735 2.3735 2.3739 2.3739 3.8142 3.8142 3.8195 3.8195 5.4624 5.4624 5.4667 5.4667 7.3851 7.3851 7.3867 7.3867 7.9245 7.9245 7.9274 7.9274 13.3818 13.3818 13.3820 13.3820 14.0990 14.0990 14.1010 14.1010 k = 0.0132 0.0091 0.8776 ( 5872 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0263 -8.0262 -8.0260 -8.0259 -6.2802 -6.2794 -6.2748 -6.2745 0.5120 0.5127 0.5146 0.5152 2.3683 2.3684 2.3684 2.3691 3.8197 3.8204 3.8250 3.8257 5.4610 5.4611 5.4653 5.4653 7.3846 7.3847 7.3860 7.3865 7.9240 7.9243 7.9267 7.9271 13.3826 13.3828 13.3829 13.3829 14.0977 14.0977 14.0996 14.0997 k = 0.0263 0.0182 0.8776 ( 5868 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0264 -8.0263 -8.0258 -8.0257 -6.2806 -6.2791 -6.2751 -6.2744 0.5155 0.5168 0.5180 0.5192 2.3531 2.3532 2.3534 2.3545 3.8367 3.8381 3.8419 3.8434 5.4568 5.4570 5.4611 5.4612 7.3832 7.3834 7.3844 7.3853 7.9226 7.9231 7.9253 7.9260 13.3853 13.3855 13.3855 13.3856 14.0938 14.0938 14.0956 14.0959 k = 0.0395 0.0274 0.8776 ( 5868 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0265 -8.0264 -8.0256 -8.0255 -6.2811 -6.2789 -6.2753 -6.2744 0.5214 0.5233 0.5240 0.5257 2.3287 2.3289 2.3293 2.3307 3.8644 3.8664 3.8694 3.8716 5.4499 5.4502 5.4541 5.4542 7.3808 7.3811 7.3820 7.3833 7.9204 7.9212 7.9230 7.9240 13.3896 13.3899 13.3900 13.3900 14.0873 14.0874 14.0890 14.0895 k = 0.0526 0.0365 0.8776 ( 5864 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0266 -8.0265 -8.0254 -8.0254 -6.2816 -6.2787 -6.2757 -6.2744 0.5298 0.5323 0.5323 0.5346 2.2965 2.2967 2.2973 2.2990 3.9014 3.9041 3.9064 3.9090 5.4402 5.4405 5.4444 5.4445 7.3776 7.3780 7.3787 7.3804 7.9175 7.9185 7.9199 7.9213 13.3957 13.3961 13.3961 13.3962 14.0785 14.0785 14.0800 14.0806 k = 0.0658 0.0456 0.8776 ( 5876 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0267 -8.0266 -8.0252 -8.0252 -6.2821 -6.2785 -6.2760 -6.2745 0.5404 0.5429 0.5435 0.5457 2.2580 2.2581 2.2589 2.2609 3.9463 3.9497 3.9513 3.9544 5.4277 5.4281 5.4318 5.4320 7.3736 7.3740 7.3746 7.3767 7.9140 7.9153 7.9162 7.9179 13.4034 13.4040 13.4040 13.4040 14.0673 14.0674 14.0687 14.0695 k = 0.0789 0.0547 0.8776 ( 5874 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0268 -8.0267 -8.0250 -8.0249 -6.2827 -6.2784 -6.2764 -6.2746 0.5532 0.5556 0.5569 0.5590 2.2144 2.2146 2.2156 2.2178 3.9978 4.0018 4.0027 4.0063 5.4124 5.4128 5.4163 5.4166 7.3689 7.3694 7.3698 7.3723 7.9100 7.9115 7.9120 7.9140 13.4127 13.4134 13.4134 13.4134 14.0541 14.0542 14.0553 14.0563 k = 0.0921 0.0639 0.8776 ( 5874 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0268 -8.0268 -8.0248 -8.0247 -6.2832 -6.2783 -6.2768 -6.2748 0.5679 0.5703 0.5723 0.5743 2.1673 2.1677 2.1688 2.1711 4.0544 4.0590 4.0594 4.0632 5.3942 5.3946 5.3980 5.3983 7.3636 7.3641 7.3644 7.3673 7.9056 7.9073 7.9074 7.9097 13.4235 13.4242 13.4243 13.4243 14.0390 14.0392 14.0400 14.0412 k = 0.1053 0.0730 0.8776 ( 5874 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0268 -8.0268 -8.0246 -8.0245 -6.2838 -6.2782 -6.2772 -6.2750 0.5844 0.5867 0.5894 0.5913 2.1179 2.1187 2.1198 2.1222 4.1148 4.1198 4.1200 4.1239 5.3732 5.3736 5.3767 5.3772 7.3578 7.3583 7.3586 7.3618 7.9010 7.9026 7.9028 7.9051 13.4356 13.4365 13.4365 13.4366 14.0223 14.0226 14.0232 14.0246 k = 0.1184 0.0821 0.8776 ( 5868 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0268 -8.0244 -8.0243 -6.2844 -6.2781 -6.2777 -6.2752 0.6023 0.6045 0.6080 0.6097 2.0676 2.0687 2.0699 2.0723 4.1780 4.1831 4.1837 4.1873 5.3494 5.3497 5.3526 5.3532 7.3516 7.3522 7.3524 7.3560 7.8962 7.8977 7.8983 7.9004 13.4489 13.4499 13.4501 13.4501 14.0042 14.0047 14.0050 14.0066 k = 0.1316 0.0912 0.8776 ( 5860 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0268 -8.0242 -8.0241 -6.2849 -6.2781 -6.2781 -6.2755 0.6214 0.6235 0.6278 0.6293 2.0173 2.0190 2.0201 2.0225 4.2427 4.2480 4.2491 4.2524 5.3229 5.3231 5.3257 5.3265 7.3453 7.3459 7.3461 7.3499 7.8915 7.8928 7.8938 7.8957 13.4633 13.4644 13.4646 13.4646 13.9852 13.9858 13.9858 13.9876 k = 0.1447 0.1003 0.8776 ( 5842 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0240 -8.0240 -6.2854 -6.2785 -6.2781 -6.2757 0.6412 0.6431 0.6482 0.6495 1.9682 1.9704 1.9716 1.9738 4.3081 4.3136 4.3152 4.3182 5.2937 5.2937 5.2961 5.2970 7.3390 7.3396 7.3397 7.3438 7.8870 7.8880 7.8894 7.8911 13.4785 13.4797 13.4800 13.4800 13.9654 13.9659 13.9662 13.9679 k = 0.1579 0.1095 0.8776 ( 5840 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0238 -8.0238 -6.2859 -6.2789 -6.2780 -6.2760 0.6612 0.6630 0.6688 0.6700 1.9213 1.9241 1.9252 1.9273 4.3733 4.3791 4.3812 4.3838 5.2618 5.2621 5.2639 5.2652 7.3329 7.3334 7.3335 7.3379 7.8827 7.8836 7.8853 7.8868 13.4941 13.4955 13.4959 13.4959 13.9454 13.9457 13.9464 13.9480 k = 0.1711 0.1186 0.8776 ( 5846 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0237 -8.0236 -6.2863 -6.2792 -6.2780 -6.2763 0.6808 0.6824 0.6891 0.6900 1.8776 1.8810 1.8820 1.8839 4.4371 4.4433 4.4459 4.4482 5.2278 5.2285 5.2296 5.2312 7.3272 7.3276 7.3277 7.3323 7.8789 7.8795 7.8815 7.8828 13.5099 13.5115 13.5120 13.5120 13.9255 13.9258 13.9267 13.9282 k = 0.1842 0.1277 0.8776 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0235 -8.0235 -6.2867 -6.2795 -6.2780 -6.2765 0.6993 0.7007 0.7082 0.7089 1.8381 1.8421 1.8430 1.8448 4.4986 4.5053 4.5084 4.5104 5.1922 5.1935 5.1937 5.1957 7.3219 7.3224 7.3224 7.3272 7.8754 7.8760 7.8782 7.8793 13.5254 13.5271 13.5278 13.5278 13.9064 13.9065 13.9079 13.9092 k = 0.1974 0.1368 0.8776 ( 5854 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0234 -8.0234 -6.2870 -6.2798 -6.2779 -6.2768 0.7161 0.7173 0.7255 0.7260 1.8039 1.8084 1.8092 1.8108 4.5562 4.5634 4.5673 4.5689 5.1560 5.1572 5.1581 5.1597 7.3174 7.3178 7.3178 7.3228 7.8725 7.8729 7.8755 7.8763 13.5400 13.5418 13.5426 13.5426 13.8886 13.8888 13.8905 13.8917 k = 0.2105 0.1459 0.8776 ( 5848 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0233 -8.0233 -6.2873 -6.2800 -6.2779 -6.2770 0.7303 0.7312 0.7401 0.7404 1.7758 1.7810 1.7816 1.7831 4.6079 4.6158 4.6204 4.6216 5.1209 5.1218 5.1241 5.1250 7.3138 7.3141 7.3141 7.3192 7.8702 7.8705 7.8733 7.8739 13.5528 13.5548 13.5558 13.5558 13.8732 13.8733 13.8754 13.8765 k = 0.2237 0.1551 0.8776 ( 5840 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0233 -8.0232 -6.2875 -6.2802 -6.2778 -6.2772 0.7412 0.7418 0.7513 0.7514 1.7550 1.7606 1.7611 1.7625 4.6506 4.6592 4.6647 4.6655 5.0898 5.0904 5.0942 5.0943 7.3111 7.3113 7.3113 7.3165 7.8686 7.8688 7.8717 7.8721 13.5630 13.5651 13.5663 13.5663 13.8611 13.8611 13.8635 13.8645 k = 0.2368 0.1642 0.8776 ( 5836 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0232 -8.0232 -6.2876 -6.2802 -6.2777 -6.2774 0.7480 0.7484 0.7583 0.7583 1.7422 1.7481 1.7483 1.7498 4.6796 4.6890 4.6953 4.6957 5.0674 5.0677 5.0723 5.0729 7.3094 7.3096 7.3096 7.3149 7.8675 7.8677 7.8708 7.8710 13.5697 13.5718 13.5731 13.5731 13.8532 13.8532 13.8558 13.8567 k = 0.2500 0.1733 0.8776 ( 5844 PWs) bands (ev): -92.7786 -92.7786 -92.7786 -92.7786 -8.0269 -8.0269 -8.0232 -8.0232 -6.2876 -6.2803 -6.2776 -6.2776 0.7505 0.7505 0.7607 0.7607 1.7378 1.7440 1.7440 1.7455 4.6901 4.6998 4.7066 4.7066 5.0590 5.0590 5.0641 5.0650 7.3089 7.3089 7.3091 7.3143 7.8672 7.8674 7.8706 7.8706 13.5720 13.5742 13.5755 13.5755 13.8505 13.8505 13.8532 13.8541 Writing output data file BeSiN2.save init_run : 4.05s CPU 13.36s WALL ( 1 calls) electrons : 727.48s CPU 734.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.71s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 727.40s CPU 733.92s WALL ( 1 calls) v_of_rho : 0.34s CPU 0.98s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.33s CPU 0.63s WALL ( 1 calls) newd : 0.53s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.12s WALL ( 370 calls) cegterg : 651.65s CPU 655.27s WALL ( 450 calls) Called by sum_band: Called by *egterg: h_psi : 493.23s CPU 499.35s WALL ( 7841 calls) s_psi : 25.04s CPU 25.32s WALL ( 7841 calls) g_psi : 0.77s CPU 0.81s WALL ( 7021 calls) cdiaghg : 108.59s CPU 107.27s WALL ( 7391 calls) cegterg:over : 42.05s CPU 39.77s WALL ( 7021 calls) cegterg:upda : 10.27s CPU 12.35s WALL ( 7021 calls) cegterg:last : 9.60s CPU 10.33s WALL ( 1767 calls) Called by h_psi: h_psi:vloc : 437.17s CPU 441.67s WALL ( 7841 calls) h_psi:vnl : 55.73s CPU 56.97s WALL ( 7841 calls) add_vuspsi : 18.29s CPU 21.22s WALL ( 7841 calls) General routines calbec : 37.39s CPU 35.60s WALL ( 7841 calls) fft : 0.45s CPU 1.47s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 399.47s CPU 400.61s WALL ( 982408 calls) interpolate : 0.15s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 2.26s WALL ( 740 calls) Parallel routines fft_scatter : 230.02s CPU 226.62s WALL ( 982431 calls) PWSCF : 13m11.40s CPU 14m40.80s WALL This run was terminated on: 2:18: 3 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=