Program PWSCF v.5.1.1 starts on 13Jun2016 at 3:13:53 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: ./BeCN2.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 95 35 10 3009 678 104 Max 96 36 11 3011 692 106 Sum 4579 1705 491 144473 32845 5037 bravais-lattice index = 14 lattice parameter (alat) = 8.2909 a.u. unit-cell volume = 332.9643 (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)= 8.290902 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.632769 celldm(5)= -0.632769 celldm(6)= 0.265537 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.265537 0.964101 0.000000 ) a(3) = ( -0.632769 -0.482050 0.605996 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.275425 0.825088 ) b(2) = ( 0.000000 1.037236 0.825088 ) b(3) = ( 0.000000 0.000000 1.650175 ) 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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) C 4.00 12.01070 C( 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 =( -0.1327686 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4820503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3029981 ) 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= 411 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0000000 0.0000000 0.0137515), wk = 0.0024331 k( 3) = ( 0.0000000 0.0000000 0.0275029), wk = 0.0024331 k( 4) = ( 0.0000000 0.0000000 0.0412544), wk = 0.0024331 k( 5) = ( 0.0000000 0.0000000 0.0550058), wk = 0.0024331 k( 6) = ( 0.0000000 0.0000000 0.0687573), wk = 0.0024331 k( 7) = ( 0.0000000 0.0000000 0.0825088), wk = 0.0024331 k( 8) = ( 0.0000000 0.0000000 0.0962602), wk = 0.0024331 k( 9) = ( 0.0000000 0.0000000 0.1100117), wk = 0.0024331 k( 10) = ( 0.0000000 0.0000000 0.1237632), wk = 0.0024331 k( 11) = ( 0.0000000 0.0000000 0.1375146), wk = 0.0024331 k( 12) = ( 0.0000000 0.0000000 0.1512661), wk = 0.0024331 k( 13) = ( 0.0000000 0.0000000 0.1650175), wk = 0.0024331 k( 14) = ( 0.0000000 0.0000000 0.1787690), wk = 0.0024331 k( 15) = ( 0.0000000 0.0000000 0.1925205), wk = 0.0024331 k( 16) = ( 0.0000000 0.0000000 0.2062719), wk = 0.0024331 k( 17) = ( 0.0000000 0.0000000 0.2200234), wk = 0.0024331 k( 18) = ( 0.0000000 0.0000000 0.2337749), wk = 0.0024331 k( 19) = ( 0.0000000 0.0000000 0.2475263), wk = 0.0024331 k( 20) = ( 0.0000000 0.0000000 0.2612778), wk = 0.0024331 k( 21) = ( 0.0000000 0.0000000 0.2750292), wk = 0.0024331 k( 22) = ( 0.0000000 0.0000000 0.2887807), wk = 0.0024331 k( 23) = ( 0.0000000 0.0000000 0.3025322), wk = 0.0024331 k( 24) = ( 0.0000000 0.0000000 0.3162836), wk = 0.0024331 k( 25) = ( 0.0000000 0.0000000 0.3300351), wk = 0.0024331 k( 26) = ( 0.0000000 0.0000000 0.3437865), wk = 0.0024331 k( 27) = ( 0.0000000 0.0000000 0.3575380), wk = 0.0024331 k( 28) = ( 0.0000000 0.0000000 0.3712895), wk = 0.0024331 k( 29) = ( 0.0000000 0.0000000 0.3850409), wk = 0.0024331 k( 30) = ( 0.0000000 0.0000000 0.3987924), wk = 0.0024331 k( 31) = ( 0.0000000 0.0000000 0.4125439), wk = 0.0024331 k( 32) = ( 0.0000000 0.0000000 0.4262953), wk = 0.0024331 k( 33) = ( 0.0000000 0.0000000 0.4400468), wk = 0.0024331 k( 34) = ( 0.0000000 0.0000000 0.4537982), wk = 0.0024331 k( 35) = ( 0.0000000 0.0000000 0.4675497), wk = 0.0024331 k( 36) = ( 0.0000000 0.0000000 0.4813012), wk = 0.0024331 k( 37) = ( 0.0000000 0.0000000 0.4950526), wk = 0.0024331 k( 38) = ( 0.0000000 0.0000000 0.5088041), wk = 0.0024331 k( 39) = ( 0.0000000 0.0000000 0.5225556), wk = 0.0024331 k( 40) = ( 0.0000000 0.0000000 0.5363070), wk = 0.0024331 k( 41) = ( 0.0000000 0.0000000 0.5500585), wk = 0.0024331 k( 42) = ( 0.0000000 0.0000000 0.5638099), wk = 0.0024331 k( 43) = ( 0.0000000 0.0000000 0.5775614), wk = 0.0024331 k( 44) = ( 0.0000000 0.0000000 0.5913128), wk = 0.0024331 k( 45) = ( 0.0000000 0.0000000 0.6050643), wk = 0.0024331 k( 46) = ( 0.0000000 0.0000000 0.6188158), wk = 0.0024331 k( 47) = ( 0.0000000 0.0000000 0.6325672), wk = 0.0024331 k( 48) = ( 0.0000000 0.0000000 0.6463187), wk = 0.0024331 k( 49) = ( 0.0000000 0.0000000 0.6600702), wk = 0.0024331 k( 50) = ( 0.0000000 0.0000000 0.6738216), wk = 0.0024331 k( 51) = ( 0.0000000 0.0000000 0.6875731), wk = 0.0024331 k( 52) = ( 0.0000000 0.0000000 0.7013245), wk = 0.0024331 k( 53) = ( 0.0000000 0.0000000 0.7150760), wk = 0.0024331 k( 54) = ( 0.0000000 0.0000000 0.7288275), wk = 0.0024331 k( 55) = ( 0.0000000 0.0000000 0.7425789), wk = 0.0024331 k( 56) = ( 0.0000000 0.0000000 0.7563304), wk = 0.0024331 k( 57) = ( 0.0000000 0.0000000 0.7700819), wk = 0.0024331 k( 58) = ( 0.0000000 0.0000000 0.7838333), wk = 0.0024331 k( 59) = ( 0.0000000 0.0000000 0.7975848), wk = 0.0024331 k( 60) = ( 0.0000000 0.0000000 0.8113362), wk = 0.0024331 k( 61) = ( 0.0000000 0.0000000 0.8250877), wk = 0.0024331 k( 62) = ( 0.0000000 0.0000000 0.8250877), wk = 0.0024331 k( 63) = ( -0.0080605 0.0105807 0.8250877), wk = 0.0024331 k( 64) = ( -0.0161210 0.0211614 0.8250877), wk = 0.0024331 k( 65) = ( -0.0241815 0.0317421 0.8250877), wk = 0.0024331 k( 66) = ( -0.0322420 0.0423229 0.8250877), wk = 0.0024331 k( 67) = ( -0.0403025 0.0529036 0.8250877), wk = 0.0024331 k( 68) = ( -0.0483630 0.0634843 0.8250877), wk = 0.0024331 k( 69) = ( -0.0564236 0.0740650 0.8250877), wk = 0.0024331 k( 70) = ( -0.0644841 0.0846457 0.8250877), wk = 0.0024331 k( 71) = ( -0.0725446 0.0952264 0.8250877), wk = 0.0024331 k( 72) = ( -0.0806051 0.1058071 0.8250877), wk = 0.0024331 k( 73) = ( -0.0886656 0.1163878 0.8250877), wk = 0.0024331 k( 74) = ( -0.0967261 0.1269686 0.8250877), wk = 0.0024331 k( 75) = ( -0.1047866 0.1375493 0.8250877), wk = 0.0024331 k( 76) = ( -0.1128471 0.1481300 0.8250877), wk = 0.0024331 k( 77) = ( -0.1209076 0.1587107 0.8250877), wk = 0.0024331 k( 78) = ( -0.1289681 0.1692914 0.8250877), wk = 0.0024331 k( 79) = ( -0.1370286 0.1798721 0.8250877), wk = 0.0024331 k( 80) = ( -0.1450891 0.1904528 0.8250877), wk = 0.0024331 k( 81) = ( -0.1450891 0.1904528 0.8250877), wk = 0.0024331 k( 82) = ( -0.1510043 0.1982175 0.8153266), wk = 0.0024331 k( 83) = ( -0.1569195 0.2059821 0.8055655), wk = 0.0024331 k( 84) = ( -0.1628347 0.2137467 0.7958045), wk = 0.0024331 k( 85) = ( -0.1687499 0.2215113 0.7860433), wk = 0.0024331 k( 86) = ( -0.1746650 0.2292760 0.7762823), wk = 0.0024331 k( 87) = ( -0.1805802 0.2370406 0.7665212), wk = 0.0024331 k( 88) = ( -0.1864954 0.2448052 0.7567601), wk = 0.0024331 k( 89) = ( -0.1924106 0.2525698 0.7469990), wk = 0.0024331 k( 90) = ( -0.1983257 0.2603345 0.7372379), wk = 0.0024331 k( 91) = ( -0.2042409 0.2680991 0.7274768), wk = 0.0024331 k( 92) = ( -0.2101561 0.2758637 0.7177158), wk = 0.0024331 k( 93) = ( -0.2160713 0.2836284 0.7079547), wk = 0.0024331 k( 94) = ( -0.2219865 0.2913930 0.6981936), wk = 0.0024331 k( 95) = ( -0.2279017 0.2991576 0.6884325), wk = 0.0024331 k( 96) = ( -0.2338168 0.3069222 0.6786714), wk = 0.0024331 k( 97) = ( -0.2397320 0.3146869 0.6689103), wk = 0.0024331 k( 98) = ( -0.2456472 0.3224515 0.6591492), wk = 0.0024331 k( 99) = ( -0.2515624 0.3302161 0.6493881), wk = 0.0024331 k( 100) = ( -0.2574776 0.3379808 0.6396270), wk = 0.0024331 k( 101) = ( -0.2633928 0.3457454 0.6298660), wk = 0.0024331 k( 102) = ( -0.2693079 0.3535100 0.6201049), wk = 0.0024331 k( 103) = ( -0.2752231 0.3612746 0.6103438), wk = 0.0024331 k( 104) = ( -0.2811383 0.3690393 0.6005827), wk = 0.0024331 k( 105) = ( -0.2870535 0.3768039 0.5908216), wk = 0.0024331 k( 106) = ( -0.2929686 0.3845685 0.5810605), wk = 0.0024331 k( 107) = ( -0.2988838 0.3923332 0.5712995), wk = 0.0024331 k( 108) = ( -0.3047990 0.4000978 0.5615384), wk = 0.0024331 k( 109) = ( -0.3107142 0.4078624 0.5517773), wk = 0.0024331 k( 110) = ( -0.3166294 0.4156270 0.5420162), wk = 0.0024331 k( 111) = ( -0.3225446 0.4233917 0.5322551), wk = 0.0024331 k( 112) = ( -0.3225446 0.4233917 0.5322551), wk = 0.0024331 k( 113) = ( -0.3165715 0.4155511 0.5223985), wk = 0.0024331 k( 114) = ( -0.3105985 0.4077105 0.5125420), wk = 0.0024331 k( 115) = ( -0.3046254 0.3998699 0.5026854), wk = 0.0024331 k( 116) = ( -0.2986524 0.3920293 0.4928288), wk = 0.0024331 k( 117) = ( -0.2926793 0.3841887 0.4829722), wk = 0.0024331 k( 118) = ( -0.2867063 0.3763482 0.4731157), wk = 0.0024331 k( 119) = ( -0.2807332 0.3685076 0.4632591), wk = 0.0024331 k( 120) = ( -0.2747602 0.3606670 0.4534025), wk = 0.0024331 k( 121) = ( -0.2687871 0.3528264 0.4435459), wk = 0.0024331 k( 122) = ( -0.2628141 0.3449858 0.4336893), wk = 0.0024331 k( 123) = ( -0.2568410 0.3371452 0.4238328), wk = 0.0024331 k( 124) = ( -0.2508680 0.3293046 0.4139762), wk = 0.0024331 k( 125) = ( -0.2448949 0.3214640 0.4041196), wk = 0.0024331 k( 126) = ( -0.2389219 0.3136235 0.3942630), wk = 0.0024331 k( 127) = ( -0.2329489 0.3057829 0.3844065), wk = 0.0024331 k( 128) = ( -0.2269758 0.2979423 0.3745499), wk = 0.0024331 k( 129) = ( -0.2210027 0.2901017 0.3646933), wk = 0.0024331 k( 130) = ( -0.2150297 0.2822611 0.3548367), wk = 0.0024331 k( 131) = ( -0.2090567 0.2744205 0.3449802), wk = 0.0024331 k( 132) = ( -0.2030836 0.2665799 0.3351236), wk = 0.0024331 k( 133) = ( -0.1971106 0.2587393 0.3252670), wk = 0.0024331 k( 134) = ( -0.1911375 0.2508988 0.3154104), wk = 0.0024331 k( 135) = ( -0.1851645 0.2430582 0.3055539), wk = 0.0024331 k( 136) = ( -0.1791914 0.2352176 0.2956973), wk = 0.0024331 k( 137) = ( -0.1732184 0.2273770 0.2858407), wk = 0.0024331 k( 138) = ( -0.1672453 0.2195364 0.2759841), wk = 0.0024331 k( 139) = ( -0.1612723 0.2116958 0.2661276), wk = 0.0024331 k( 140) = ( -0.1552992 0.2038552 0.2562710), wk = 0.0024331 k( 141) = ( -0.1493262 0.1960147 0.2464144), wk = 0.0024331 k( 142) = ( -0.1433531 0.1881741 0.2365578), wk = 0.0024331 k( 143) = ( -0.1373801 0.1803335 0.2267012), wk = 0.0024331 k( 144) = ( -0.1314070 0.1724929 0.2168447), wk = 0.0024331 k( 145) = ( -0.1254340 0.1646523 0.2069881), wk = 0.0024331 k( 146) = ( -0.1194609 0.1568117 0.1971315), wk = 0.0024331 k( 147) = ( -0.1134879 0.1489711 0.1872749), wk = 0.0024331 k( 148) = ( -0.1075148 0.1411305 0.1774184), wk = 0.0024331 k( 149) = ( -0.1015418 0.1332900 0.1675618), wk = 0.0024331 k( 150) = ( -0.0955688 0.1254494 0.1577052), wk = 0.0024331 k( 151) = ( -0.0895957 0.1176088 0.1478486), wk = 0.0024331 k( 152) = ( -0.0836227 0.1097682 0.1379921), wk = 0.0024331 k( 153) = ( -0.0776496 0.1019276 0.1281355), wk = 0.0024331 k( 154) = ( -0.0716766 0.0940870 0.1182789), wk = 0.0024331 k( 155) = ( -0.0657035 0.0862464 0.1084223), wk = 0.0024331 k( 156) = ( -0.0597305 0.0784059 0.0985658), wk = 0.0024331 k( 157) = ( -0.0537574 0.0705653 0.0887092), wk = 0.0024331 k( 158) = ( -0.0477844 0.0627247 0.0788526), wk = 0.0024331 k( 159) = ( -0.0418113 0.0548841 0.0689960), wk = 0.0024331 k( 160) = ( -0.0358383 0.0470435 0.0591394), wk = 0.0024331 k( 161) = ( -0.0298652 0.0392029 0.0492829), wk = 0.0024331 k( 162) = ( -0.0238922 0.0313623 0.0394263), wk = 0.0024331 k( 163) = ( -0.0179191 0.0235218 0.0295697), wk = 0.0024331 k( 164) = ( -0.0119461 0.0156812 0.0197131), wk = 0.0024331 k( 165) = ( -0.0059730 0.0078406 0.0098566), wk = 0.0024331 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 168) = ( 0.0108696 0.0082806 -0.0000000), wk = 0.0024331 k( 169) = ( 0.0217391 0.0165611 -0.0000000), wk = 0.0024331 k( 170) = ( 0.0326087 0.0248417 -0.0000000), wk = 0.0024331 k( 171) = ( 0.0434783 0.0331222 -0.0000000), wk = 0.0024331 k( 172) = ( 0.0543478 0.0414028 -0.0000000), wk = 0.0024331 k( 173) = ( 0.0652174 0.0496833 -0.0000000), wk = 0.0024331 k( 174) = ( 0.0760870 0.0579639 0.0000000), wk = 0.0024331 k( 175) = ( 0.0869565 0.0662445 -0.0000000), wk = 0.0024331 k( 176) = ( 0.0978261 0.0745250 -0.0000000), wk = 0.0024331 k( 177) = ( 0.1086957 0.0828056 -0.0000000), wk = 0.0024331 k( 178) = ( 0.1195652 0.0910861 -0.0000000), wk = 0.0024331 k( 179) = ( 0.1304348 0.0993667 -0.0000000), wk = 0.0024331 k( 180) = ( 0.1413043 0.1076473 -0.0000000), wk = 0.0024331 k( 181) = ( 0.1521739 0.1159278 -0.0000000), wk = 0.0024331 k( 182) = ( 0.1630435 0.1242084 -0.0000000), wk = 0.0024331 k( 183) = ( 0.1739130 0.1324889 -0.0000000), wk = 0.0024331 k( 184) = ( 0.1847826 0.1407695 0.0000000), wk = 0.0024331 k( 185) = ( 0.1956522 0.1490500 -0.0000000), wk = 0.0024331 k( 186) = ( 0.2065217 0.1573306 -0.0000000), wk = 0.0024331 k( 187) = ( 0.2173913 0.1656112 -0.0000000), wk = 0.0024331 k( 188) = ( 0.2282609 0.1738917 -0.0000000), wk = 0.0024331 k( 189) = ( 0.2391304 0.1821723 -0.0000000), wk = 0.0024331 k( 190) = ( 0.2500000 0.1904528 -0.0000000), wk = 0.0024331 k( 191) = ( 0.2608696 0.1987334 -0.0000000), wk = 0.0024331 k( 192) = ( 0.2717391 0.2070139 -0.0000000), wk = 0.0024331 k( 193) = ( 0.2826087 0.2152945 -0.0000000), wk = 0.0024331 k( 194) = ( 0.2934783 0.2235751 -0.0000000), wk = 0.0024331 k( 195) = ( 0.3043478 0.2318556 -0.0000000), wk = 0.0024331 k( 196) = ( 0.3152174 0.2401362 -0.0000000), wk = 0.0024331 k( 197) = ( 0.3260870 0.2484167 -0.0000000), wk = 0.0024331 k( 198) = ( 0.3369565 0.2566973 -0.0000000), wk = 0.0024331 k( 199) = ( 0.3478261 0.2649779 -0.0000000), wk = 0.0024331 k( 200) = ( 0.3586956 0.2732584 0.0000000), wk = 0.0024331 k( 201) = ( 0.3695652 0.2815390 0.0000000), wk = 0.0024331 k( 202) = ( 0.3804348 0.2898195 -0.0000000), wk = 0.0024331 k( 203) = ( 0.3913044 0.2981001 -0.0000000), wk = 0.0024331 k( 204) = ( 0.4021739 0.3063806 -0.0000000), wk = 0.0024331 k( 205) = ( 0.4130435 0.3146612 -0.0000000), wk = 0.0024331 k( 206) = ( 0.4239130 0.3229418 -0.0000000), wk = 0.0024331 k( 207) = ( 0.4347826 0.3312223 -0.0000000), wk = 0.0024331 k( 208) = ( 0.4456522 0.3395029 0.0000000), wk = 0.0024331 k( 209) = ( 0.4565217 0.3477834 -0.0000000), wk = 0.0024331 k( 210) = ( 0.4673913 0.3560640 -0.0000000), wk = 0.0024331 k( 211) = ( 0.4782609 0.3643445 -0.0000000), wk = 0.0024331 k( 212) = ( 0.4891304 0.3726251 -0.0000000), wk = 0.0024331 k( 213) = ( 0.5000000 0.3809057 -0.0000000), wk = 0.0024331 k( 214) = ( 0.5000000 0.3809057 -0.0000000), wk = 0.0024331 k( 215) = ( 0.4940848 0.3886703 0.0097611), wk = 0.0024331 k( 216) = ( 0.4881696 0.3964349 0.0195222), wk = 0.0024331 k( 217) = ( 0.4822545 0.4041995 0.0292833), wk = 0.0024331 k( 218) = ( 0.4763393 0.4119642 0.0390444), wk = 0.0024331 k( 219) = ( 0.4704241 0.4197288 0.0488054), wk = 0.0024331 k( 220) = ( 0.4645089 0.4274934 0.0585665), wk = 0.0024331 k( 221) = ( 0.4585937 0.4352581 0.0683276), wk = 0.0024331 k( 222) = ( 0.4526786 0.4430227 0.0780887), wk = 0.0024331 k( 223) = ( 0.4467634 0.4507873 0.0878498), wk = 0.0024331 k( 224) = ( 0.4408482 0.4585519 0.0976109), wk = 0.0024331 k( 225) = ( 0.4349330 0.4663166 0.1073719), wk = 0.0024331 k( 226) = ( 0.4290178 0.4740812 0.1171330), wk = 0.0024331 k( 227) = ( 0.4231026 0.4818458 0.1268941), wk = 0.0024331 k( 228) = ( 0.4171875 0.4896104 0.1366552), wk = 0.0024331 k( 229) = ( 0.4112723 0.4973751 0.1464163), wk = 0.0024331 k( 230) = ( 0.4053571 0.5051397 0.1561774), wk = 0.0024331 k( 231) = ( 0.3994419 0.5129043 0.1659385), wk = 0.0024331 k( 232) = ( 0.3935267 0.5206690 0.1756996), wk = 0.0024331 k( 233) = ( 0.3876116 0.5284336 0.1854607), wk = 0.0024331 k( 234) = ( 0.3816964 0.5361982 0.1952217), wk = 0.0024331 k( 235) = ( 0.3757812 0.5439628 0.2049828), wk = 0.0024331 k( 236) = ( 0.3698660 0.5517275 0.2147439), wk = 0.0024331 k( 237) = ( 0.3639508 0.5594921 0.2245050), wk = 0.0024331 k( 238) = ( 0.3580356 0.5672567 0.2342661), wk = 0.0024331 k( 239) = ( 0.3521205 0.5750213 0.2440272), wk = 0.0024331 k( 240) = ( 0.3462053 0.5827860 0.2537882), wk = 0.0024331 k( 241) = ( 0.3402901 0.5905506 0.2635493), wk = 0.0024331 k( 242) = ( 0.3343749 0.5983152 0.2733104), wk = 0.0024331 k( 243) = ( 0.3284597 0.6060799 0.2830715), wk = 0.0024331 k( 244) = ( 0.3225446 0.6138445 0.2928326), wk = 0.0024331 k( 245) = ( 0.3225446 0.6138445 0.2928326), wk = 0.0024331 k( 246) = ( 0.3101390 0.6101819 0.2974369), wk = 0.0024331 k( 247) = ( 0.2977334 0.6065194 0.3020412), wk = 0.0024331 k( 248) = ( 0.2853279 0.6028568 0.3066454), wk = 0.0024331 k( 249) = ( 0.2729223 0.5991943 0.3112497), wk = 0.0024331 k( 250) = ( 0.2605168 0.5955317 0.3158540), wk = 0.0024331 k( 251) = ( 0.2481112 0.5918692 0.3204583), wk = 0.0024331 k( 252) = ( 0.2357056 0.5882066 0.3250626), wk = 0.0024331 k( 253) = ( 0.2233001 0.5845441 0.3296668), wk = 0.0024331 k( 254) = ( 0.2108945 0.5808815 0.3342711), wk = 0.0024331 k( 255) = ( 0.1984890 0.5772190 0.3388754), wk = 0.0024331 k( 256) = ( 0.1860834 0.5735564 0.3434797), wk = 0.0024331 k( 257) = ( 0.1736778 0.5698938 0.3480839), wk = 0.0024331 k( 258) = ( 0.1612723 0.5662313 0.3526882), wk = 0.0024331 k( 259) = ( 0.1488667 0.5625687 0.3572925), wk = 0.0024331 k( 260) = ( 0.1364612 0.5589062 0.3618968), wk = 0.0024331 k( 261) = ( 0.1240556 0.5552436 0.3665011), wk = 0.0024331 k( 262) = ( 0.1116500 0.5515811 0.3711053), wk = 0.0024331 k( 263) = ( 0.0992445 0.5479185 0.3757096), wk = 0.0024331 k( 264) = ( 0.0868389 0.5442560 0.3803139), wk = 0.0024331 k( 265) = ( 0.0744334 0.5405934 0.3849182), wk = 0.0024331 k( 266) = ( 0.0620278 0.5369309 0.3895225), wk = 0.0024331 k( 267) = ( 0.0496222 0.5332683 0.3941267), wk = 0.0024331 k( 268) = ( 0.0372167 0.5296057 0.3987310), wk = 0.0024331 k( 269) = ( 0.0248111 0.5259432 0.4033353), wk = 0.0024331 k( 270) = ( 0.0124056 0.5222806 0.4079396), wk = 0.0024331 k( 271) = ( 0.0000000 0.5186181 0.4125439), wk = 0.0024331 k( 272) = ( 0.0000000 0.5186181 0.4125439), wk = 0.0024331 k( 273) = ( 0.0059524 0.5108046 0.4223663), wk = 0.0024331 k( 274) = ( 0.0119048 0.5029912 0.4321888), wk = 0.0024331 k( 275) = ( 0.0178571 0.4951777 0.4420113), wk = 0.0024331 k( 276) = ( 0.0238095 0.4873642 0.4518337), wk = 0.0024331 k( 277) = ( 0.0297619 0.4795508 0.4616562), wk = 0.0024331 k( 278) = ( 0.0357143 0.4717373 0.4714787), wk = 0.0024331 k( 279) = ( 0.0416667 0.4639239 0.4813012), wk = 0.0024331 k( 280) = ( 0.0476191 0.4561104 0.4911236), wk = 0.0024331 k( 281) = ( 0.0535714 0.4482970 0.5009461), wk = 0.0024331 k( 282) = ( 0.0595238 0.4404835 0.5107686), wk = 0.0024331 k( 283) = ( 0.0654762 0.4326700 0.5205911), wk = 0.0024331 k( 284) = ( 0.0714286 0.4248566 0.5304135), wk = 0.0024331 k( 285) = ( 0.0773810 0.4170431 0.5402360), wk = 0.0024331 k( 286) = ( 0.0833333 0.4092297 0.5500585), wk = 0.0024331 k( 287) = ( 0.0892857 0.4014162 0.5598809), wk = 0.0024331 k( 288) = ( 0.0952381 0.3936027 0.5697034), wk = 0.0024331 k( 289) = ( 0.1011905 0.3857893 0.5795259), wk = 0.0024331 k( 290) = ( 0.1071429 0.3779758 0.5893484), wk = 0.0024331 k( 291) = ( 0.1130952 0.3701624 0.5991708), wk = 0.0024331 k( 292) = ( 0.1190476 0.3623489 0.6089933), wk = 0.0024331 k( 293) = ( 0.1250000 0.3545355 0.6188158), wk = 0.0024331 k( 294) = ( 0.1309524 0.3467220 0.6286382), wk = 0.0024331 k( 295) = ( 0.1369048 0.3389085 0.6384607), wk = 0.0024331 k( 296) = ( 0.1428571 0.3310951 0.6482832), wk = 0.0024331 k( 297) = ( 0.1488095 0.3232816 0.6581057), wk = 0.0024331 k( 298) = ( 0.1547619 0.3154682 0.6679281), wk = 0.0024331 k( 299) = ( 0.1607143 0.3076547 0.6777506), wk = 0.0024331 k( 300) = ( 0.1666667 0.2998412 0.6875731), wk = 0.0024331 k( 301) = ( 0.1726190 0.2920278 0.6973956), wk = 0.0024331 k( 302) = ( 0.1785714 0.2842143 0.7072180), wk = 0.0024331 k( 303) = ( 0.1845238 0.2764009 0.7170405), wk = 0.0024331 k( 304) = ( 0.1904762 0.2685874 0.7268630), wk = 0.0024331 k( 305) = ( 0.1964286 0.2607740 0.7366854), wk = 0.0024331 k( 306) = ( 0.2023810 0.2529605 0.7465079), wk = 0.0024331 k( 307) = ( 0.2083333 0.2451470 0.7563304), wk = 0.0024331 k( 308) = ( 0.2142857 0.2373336 0.7661529), wk = 0.0024331 k( 309) = ( 0.2202381 0.2295201 0.7759753), wk = 0.0024331 k( 310) = ( 0.2261905 0.2217067 0.7857978), wk = 0.0024331 k( 311) = ( 0.2321429 0.2138932 0.7956203), wk = 0.0024331 k( 312) = ( 0.2380952 0.2060797 0.8054428), wk = 0.0024331 k( 313) = ( 0.2440476 0.1982663 0.8152652), wk = 0.0024331 k( 314) = ( 0.2500000 0.1904528 0.8250877), wk = 0.0024331 k( 315) = ( 0.2500000 0.1904528 0.8250877), wk = 0.0024331 k( 316) = ( 0.2586207 0.1970202 0.8168318), wk = 0.0024331 k( 317) = ( 0.2672414 0.2035875 0.8085758), wk = 0.0024331 k( 318) = ( 0.2758621 0.2101548 0.8003199), wk = 0.0024331 k( 319) = ( 0.2844828 0.2167222 0.7920639), wk = 0.0024331 k( 320) = ( 0.2931034 0.2232895 0.7838080), wk = 0.0024331 k( 321) = ( 0.3017241 0.2298569 0.7755520), wk = 0.0024331 k( 322) = ( 0.3103448 0.2364242 0.7672961), wk = 0.0024331 k( 323) = ( 0.3189655 0.2429915 0.7590401), wk = 0.0024331 k( 324) = ( 0.3275862 0.2495589 0.7507842), wk = 0.0024331 k( 325) = ( 0.3362069 0.2561262 0.7425282), wk = 0.0024331 k( 326) = ( 0.3448276 0.2626936 0.7342723), wk = 0.0024331 k( 327) = ( 0.3534483 0.2692609 0.7260163), wk = 0.0024331 k( 328) = ( 0.3620690 0.2758282 0.7177604), wk = 0.0024331 k( 329) = ( 0.3706897 0.2823956 0.7095044), wk = 0.0024331 k( 330) = ( 0.3793103 0.2889629 0.7012485), wk = 0.0024331 k( 331) = ( 0.3879310 0.2955302 0.6929925), wk = 0.0024331 k( 332) = ( 0.3965517 0.3020976 0.6847366), wk = 0.0024331 k( 333) = ( 0.4051724 0.3086649 0.6764806), wk = 0.0024331 k( 334) = ( 0.4137931 0.3152323 0.6682247), wk = 0.0024331 k( 335) = ( 0.4224138 0.3217996 0.6599687), wk = 0.0024331 k( 336) = ( 0.4310345 0.3283669 0.6517128), wk = 0.0024331 k( 337) = ( 0.4396552 0.3349343 0.6434568), wk = 0.0024331 k( 338) = ( 0.4482759 0.3415016 0.6352009), wk = 0.0024331 k( 339) = ( 0.4568966 0.3480690 0.6269449), wk = 0.0024331 k( 340) = ( 0.4655172 0.3546363 0.6186890), wk = 0.0024331 k( 341) = ( 0.4741379 0.3612036 0.6104331), wk = 0.0024331 k( 342) = ( 0.4827586 0.3677710 0.6021771), wk = 0.0024331 k( 343) = ( 0.4913793 0.3743383 0.5939211), wk = 0.0024331 k( 344) = ( 0.5000000 0.3809057 0.5856652), wk = 0.0024331 k( 345) = ( 0.5000000 0.3809057 0.5856652), wk = 0.0024331 k( 346) = ( 0.5000000 0.3809057 0.5717208), wk = 0.0024331 k( 347) = ( 0.5000000 0.3809057 0.5577764), wk = 0.0024331 k( 348) = ( 0.5000000 0.3809057 0.5438320), wk = 0.0024331 k( 349) = ( 0.5000000 0.3809057 0.5298876), wk = 0.0024331 k( 350) = ( 0.5000000 0.3809057 0.5159432), wk = 0.0024331 k( 351) = ( 0.5000000 0.3809057 0.5019988), wk = 0.0024331 k( 352) = ( 0.5000000 0.3809057 0.4880543), wk = 0.0024331 k( 353) = ( 0.5000000 0.3809057 0.4741099), wk = 0.0024331 k( 354) = ( 0.5000000 0.3809057 0.4601655), wk = 0.0024331 k( 355) = ( 0.5000000 0.3809057 0.4462211), wk = 0.0024331 k( 356) = ( 0.5000000 0.3809057 0.4322767), wk = 0.0024331 k( 357) = ( 0.5000000 0.3809057 0.4183323), wk = 0.0024331 k( 358) = ( 0.5000000 0.3809057 0.4043879), wk = 0.0024331 k( 359) = ( 0.5000000 0.3809057 0.3904435), wk = 0.0024331 k( 360) = ( 0.5000000 0.3809057 0.3764991), wk = 0.0024331 k( 361) = ( 0.5000000 0.3809057 0.3625546), wk = 0.0024331 k( 362) = ( 0.5000000 0.3809057 0.3486102), wk = 0.0024331 k( 363) = ( 0.5000000 0.3809057 0.3346658), wk = 0.0024331 k( 364) = ( 0.5000000 0.3809057 0.3207214), wk = 0.0024331 k( 365) = ( 0.5000000 0.3809057 0.3067770), wk = 0.0024331 k( 366) = ( 0.5000000 0.3809057 0.2928326), wk = 0.0024331 k( 367) = ( 0.5000000 0.3809057 0.2788882), wk = 0.0024331 k( 368) = ( 0.5000000 0.3809057 0.2649438), wk = 0.0024331 k( 369) = ( 0.5000000 0.3809057 0.2509994), wk = 0.0024331 k( 370) = ( 0.5000000 0.3809057 0.2370550), wk = 0.0024331 k( 371) = ( 0.5000000 0.3809057 0.2231105), wk = 0.0024331 k( 372) = ( 0.5000000 0.3809057 0.2091662), wk = 0.0024331 k( 373) = ( 0.5000000 0.3809057 0.1952217), wk = 0.0024331 k( 374) = ( 0.5000000 0.3809057 0.1812773), wk = 0.0024331 k( 375) = ( 0.5000000 0.3809057 0.1673329), wk = 0.0024331 k( 376) = ( 0.5000000 0.3809057 0.1533885), wk = 0.0024331 k( 377) = ( 0.5000000 0.3809057 0.1394441), wk = 0.0024331 k( 378) = ( 0.5000000 0.3809057 0.1254997), wk = 0.0024331 k( 379) = ( 0.5000000 0.3809057 0.1115553), wk = 0.0024331 k( 380) = ( 0.5000000 0.3809057 0.0976109), wk = 0.0024331 k( 381) = ( 0.5000000 0.3809057 0.0836665), wk = 0.0024331 k( 382) = ( 0.5000000 0.3809057 0.0697221), wk = 0.0024331 k( 383) = ( 0.5000000 0.3809057 0.0557776), wk = 0.0024331 k( 384) = ( 0.5000000 0.3809057 0.0418332), wk = 0.0024331 k( 385) = ( 0.5000000 0.3809057 0.0278888), wk = 0.0024331 k( 386) = ( 0.5000000 0.3809057 0.0139444), wk = 0.0024331 k( 387) = ( 0.5000000 0.3809057 -0.0000000), wk = 0.0024331 k( 388) = ( 0.0000000 0.0000000 0.8250877), wk = 0.0024331 k( 389) = ( 0.0108696 0.0082806 0.8250877), wk = 0.0024331 k( 390) = ( 0.0217391 0.0165611 0.8250877), wk = 0.0024331 k( 391) = ( 0.0326087 0.0248417 0.8250877), wk = 0.0024331 k( 392) = ( 0.0434783 0.0331222 0.8250877), wk = 0.0024331 k( 393) = ( 0.0543478 0.0414028 0.8250877), wk = 0.0024331 k( 394) = ( 0.0652174 0.0496833 0.8250877), wk = 0.0024331 k( 395) = ( 0.0760870 0.0579639 0.8250877), wk = 0.0024331 k( 396) = ( 0.0869565 0.0662445 0.8250877), wk = 0.0024331 k( 397) = ( 0.0978261 0.0745250 0.8250877), wk = 0.0024331 k( 398) = ( 0.1086957 0.0828056 0.8250877), wk = 0.0024331 k( 399) = ( 0.1195652 0.0910861 0.8250877), wk = 0.0024331 k( 400) = ( 0.1304348 0.0993667 0.8250877), wk = 0.0024331 k( 401) = ( 0.1413043 0.1076473 0.8250877), wk = 0.0024331 k( 402) = ( 0.1521739 0.1159278 0.8250877), wk = 0.0024331 k( 403) = ( 0.1630435 0.1242084 0.8250877), wk = 0.0024331 k( 404) = ( 0.1739130 0.1324889 0.8250877), wk = 0.0024331 k( 405) = ( 0.1847826 0.1407695 0.8250877), wk = 0.0024331 k( 406) = ( 0.1956522 0.1490500 0.8250877), wk = 0.0024331 k( 407) = ( 0.2065217 0.1573306 0.8250877), wk = 0.0024331 k( 408) = ( 0.2173913 0.1656112 0.8250877), wk = 0.0024331 k( 409) = ( 0.2282609 0.1738917 0.8250877), wk = 0.0024331 k( 410) = ( 0.2391304 0.1821723 0.8250877), wk = 0.0024331 k( 411) = ( 0.2500000 0.1904528 0.8250877), wk = 0.0024331 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0000000 0.0000000 0.0083333), wk = 0.0024331 k( 3) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0024331 k( 4) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0024331 k( 5) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0024331 k( 6) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0024331 k( 7) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024331 k( 8) = ( 0.0000000 0.0000000 0.0583333), wk = 0.0024331 k( 9) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0024331 k( 10) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0024331 k( 11) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024331 k( 12) = ( 0.0000000 0.0000000 0.0916667), wk = 0.0024331 k( 13) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024331 k( 14) = ( 0.0000000 0.0000000 0.1083333), wk = 0.0024331 k( 15) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0024331 k( 16) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024331 k( 17) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0024331 k( 18) = ( 0.0000000 0.0000000 0.1416667), wk = 0.0024331 k( 19) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024331 k( 20) = ( 0.0000000 0.0000000 0.1583333), wk = 0.0024331 k( 21) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024331 k( 22) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0024331 k( 23) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0024331 k( 24) = ( 0.0000000 0.0000000 0.1916667), wk = 0.0024331 k( 25) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024331 k( 26) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0024331 k( 27) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0024331 k( 28) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0024331 k( 29) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0024331 k( 30) = ( 0.0000000 0.0000000 0.2416667), wk = 0.0024331 k( 31) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024331 k( 32) = ( 0.0000000 0.0000000 0.2583333), wk = 0.0024331 k( 33) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0024331 k( 34) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0024331 k( 35) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0024331 k( 36) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0024331 k( 37) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024331 k( 38) = ( 0.0000000 0.0000000 0.3083333), wk = 0.0024331 k( 39) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0024331 k( 40) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0024331 k( 41) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024331 k( 42) = ( 0.0000000 0.0000000 0.3416667), wk = 0.0024331 k( 43) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024331 k( 44) = ( 0.0000000 0.0000000 0.3583333), wk = 0.0024331 k( 45) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0024331 k( 46) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024331 k( 47) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0024331 k( 48) = ( 0.0000000 0.0000000 0.3916667), wk = 0.0024331 k( 49) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024331 k( 50) = ( 0.0000000 0.0000000 0.4083333), wk = 0.0024331 k( 51) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024331 k( 52) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0024331 k( 53) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0024331 k( 54) = ( 0.0000000 0.0000000 0.4416667), wk = 0.0024331 k( 55) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024331 k( 56) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0024331 k( 57) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0024331 k( 58) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0024331 k( 59) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0024331 k( 60) = ( 0.0000000 0.0000000 0.4916667), wk = 0.0024331 k( 61) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 62) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 63) = ( -0.0080605 0.0080605 0.5000000), wk = 0.0024331 k( 64) = ( -0.0161210 0.0161210 0.5000000), wk = 0.0024331 k( 65) = ( -0.0241815 0.0241815 0.5000000), wk = 0.0024331 k( 66) = ( -0.0322420 0.0322420 0.5000000), wk = 0.0024331 k( 67) = ( -0.0403025 0.0403025 0.5000000), wk = 0.0024331 k( 68) = ( -0.0483630 0.0483630 0.5000000), wk = 0.0024331 k( 69) = ( -0.0564236 0.0564236 0.5000000), wk = 0.0024331 k( 70) = ( -0.0644841 0.0644840 0.5000000), wk = 0.0024331 k( 71) = ( -0.0725446 0.0725446 0.5000000), wk = 0.0024331 k( 72) = ( -0.0806051 0.0806051 0.5000000), wk = 0.0024331 k( 73) = ( -0.0886656 0.0886656 0.5000000), wk = 0.0024331 k( 74) = ( -0.0967261 0.0967261 0.5000000), wk = 0.0024331 k( 75) = ( -0.1047866 0.1047866 0.5000000), wk = 0.0024331 k( 76) = ( -0.1128471 0.1128471 0.5000000), wk = 0.0024331 k( 77) = ( -0.1209076 0.1209076 0.5000000), wk = 0.0024331 k( 78) = ( -0.1289681 0.1289681 0.5000000), wk = 0.0024331 k( 79) = ( -0.1370286 0.1370286 0.5000000), wk = 0.0024331 k( 80) = ( -0.1450891 0.1450891 0.5000000), wk = 0.0024331 k( 81) = ( -0.1450891 0.1450891 0.5000000), wk = 0.0024331 k( 82) = ( -0.1510043 0.1510043 0.4940848), wk = 0.0024331 k( 83) = ( -0.1569195 0.1569195 0.4881696), wk = 0.0024331 k( 84) = ( -0.1628347 0.1628347 0.4822545), wk = 0.0024331 k( 85) = ( -0.1687499 0.1687498 0.4763393), wk = 0.0024331 k( 86) = ( -0.1746650 0.1746650 0.4704241), wk = 0.0024331 k( 87) = ( -0.1805802 0.1805802 0.4645089), wk = 0.0024331 k( 88) = ( -0.1864954 0.1864954 0.4585937), wk = 0.0024331 k( 89) = ( -0.1924106 0.1924106 0.4526786), wk = 0.0024331 k( 90) = ( -0.1983257 0.1983257 0.4467634), wk = 0.0024331 k( 91) = ( -0.2042409 0.2042409 0.4408482), wk = 0.0024331 k( 92) = ( -0.2101561 0.2101561 0.4349330), wk = 0.0024331 k( 93) = ( -0.2160713 0.2160713 0.4290178), wk = 0.0024331 k( 94) = ( -0.2219865 0.2219865 0.4231026), wk = 0.0024331 k( 95) = ( -0.2279017 0.2279017 0.4171875), wk = 0.0024331 k( 96) = ( -0.2338168 0.2338168 0.4112723), wk = 0.0024331 k( 97) = ( -0.2397320 0.2397320 0.4053571), wk = 0.0024331 k( 98) = ( -0.2456472 0.2456472 0.3994419), wk = 0.0024331 k( 99) = ( -0.2515624 0.2515624 0.3935267), wk = 0.0024331 k( 100) = ( -0.2574776 0.2574776 0.3876116), wk = 0.0024331 k( 101) = ( -0.2633928 0.2633928 0.3816964), wk = 0.0024331 k( 102) = ( -0.2693079 0.2693079 0.3757812), wk = 0.0024331 k( 103) = ( -0.2752231 0.2752231 0.3698660), wk = 0.0024331 k( 104) = ( -0.2811383 0.2811383 0.3639508), wk = 0.0024331 k( 105) = ( -0.2870535 0.2870535 0.3580357), wk = 0.0024331 k( 106) = ( -0.2929686 0.2929687 0.3521205), wk = 0.0024331 k( 107) = ( -0.2988838 0.2988838 0.3462053), wk = 0.0024331 k( 108) = ( -0.3047990 0.3047990 0.3402901), wk = 0.0024331 k( 109) = ( -0.3107142 0.3107142 0.3343749), wk = 0.0024331 k( 110) = ( -0.3166294 0.3166294 0.3284597), wk = 0.0024331 k( 111) = ( -0.3225446 0.3225446 0.3225446), wk = 0.0024331 k( 112) = ( -0.3225446 0.3225446 0.3225446), wk = 0.0024331 k( 113) = ( -0.3165715 0.3165715 0.3165715), wk = 0.0024331 k( 114) = ( -0.3105985 0.3105985 0.3105985), wk = 0.0024331 k( 115) = ( -0.3046254 0.3046254 0.3046254), wk = 0.0024331 k( 116) = ( -0.2986524 0.2986524 0.2986524), wk = 0.0024331 k( 117) = ( -0.2926793 0.2926793 0.2926793), wk = 0.0024331 k( 118) = ( -0.2867063 0.2867063 0.2867063), wk = 0.0024331 k( 119) = ( -0.2807332 0.2807332 0.2807332), wk = 0.0024331 k( 120) = ( -0.2747602 0.2747602 0.2747602), wk = 0.0024331 k( 121) = ( -0.2687871 0.2687871 0.2687871), wk = 0.0024331 k( 122) = ( -0.2628141 0.2628141 0.2628141), wk = 0.0024331 k( 123) = ( -0.2568410 0.2568410 0.2568410), wk = 0.0024331 k( 124) = ( -0.2508680 0.2508680 0.2508680), wk = 0.0024331 k( 125) = ( -0.2448949 0.2448949 0.2448949), wk = 0.0024331 k( 126) = ( -0.2389219 0.2389219 0.2389219), wk = 0.0024331 k( 127) = ( -0.2329489 0.2329489 0.2329489), wk = 0.0024331 k( 128) = ( -0.2269758 0.2269758 0.2269758), wk = 0.0024331 k( 129) = ( -0.2210027 0.2210027 0.2210027), wk = 0.0024331 k( 130) = ( -0.2150297 0.2150297 0.2150297), wk = 0.0024331 k( 131) = ( -0.2090567 0.2090567 0.2090567), wk = 0.0024331 k( 132) = ( -0.2030836 0.2030836 0.2030836), wk = 0.0024331 k( 133) = ( -0.1971106 0.1971106 0.1971106), wk = 0.0024331 k( 134) = ( -0.1911375 0.1911375 0.1911375), wk = 0.0024331 k( 135) = ( -0.1851645 0.1851645 0.1851645), wk = 0.0024331 k( 136) = ( -0.1791914 0.1791914 0.1791914), wk = 0.0024331 k( 137) = ( -0.1732184 0.1732184 0.1732184), wk = 0.0024331 k( 138) = ( -0.1672453 0.1672453 0.1672453), wk = 0.0024331 k( 139) = ( -0.1612723 0.1612723 0.1612723), wk = 0.0024331 k( 140) = ( -0.1552992 0.1552992 0.1552992), wk = 0.0024331 k( 141) = ( -0.1493262 0.1493262 0.1493262), wk = 0.0024331 k( 142) = ( -0.1433531 0.1433531 0.1433531), wk = 0.0024331 k( 143) = ( -0.1373801 0.1373801 0.1373801), wk = 0.0024331 k( 144) = ( -0.1314070 0.1314070 0.1314070), wk = 0.0024331 k( 145) = ( -0.1254340 0.1254340 0.1254340), wk = 0.0024331 k( 146) = ( -0.1194609 0.1194610 0.1194610), wk = 0.0024331 k( 147) = ( -0.1134879 0.1134879 0.1134879), wk = 0.0024331 k( 148) = ( -0.1075148 0.1075148 0.1075149), wk = 0.0024331 k( 149) = ( -0.1015418 0.1015418 0.1015418), wk = 0.0024331 k( 150) = ( -0.0955688 0.0955688 0.0955688), wk = 0.0024331 k( 151) = ( -0.0895957 0.0895957 0.0895957), wk = 0.0024331 k( 152) = ( -0.0836227 0.0836227 0.0836227), wk = 0.0024331 k( 153) = ( -0.0776496 0.0776496 0.0776496), wk = 0.0024331 k( 154) = ( -0.0716766 0.0716766 0.0716766), wk = 0.0024331 k( 155) = ( -0.0657035 0.0657035 0.0657035), wk = 0.0024331 k( 156) = ( -0.0597305 0.0597305 0.0597305), wk = 0.0024331 k( 157) = ( -0.0537574 0.0537574 0.0537574), wk = 0.0024331 k( 158) = ( -0.0477844 0.0477844 0.0477844), wk = 0.0024331 k( 159) = ( -0.0418113 0.0418113 0.0418113), wk = 0.0024331 k( 160) = ( -0.0358383 0.0358383 0.0358383), wk = 0.0024331 k( 161) = ( -0.0298652 0.0298652 0.0298652), wk = 0.0024331 k( 162) = ( -0.0238922 0.0238922 0.0238922), wk = 0.0024331 k( 163) = ( -0.0179191 0.0179191 0.0179191), wk = 0.0024331 k( 164) = ( -0.0119461 0.0119461 0.0119461), wk = 0.0024331 k( 165) = ( -0.0059730 0.0059730 0.0059731), wk = 0.0024331 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 168) = ( 0.0108696 0.0108696 -0.0108696), wk = 0.0024331 k( 169) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0024331 k( 170) = ( 0.0326087 0.0326087 -0.0326087), wk = 0.0024331 k( 171) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0024331 k( 172) = ( 0.0543478 0.0543478 -0.0543478), wk = 0.0024331 k( 173) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0024331 k( 174) = ( 0.0760870 0.0760870 -0.0760870), wk = 0.0024331 k( 175) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0024331 k( 176) = ( 0.0978261 0.0978261 -0.0978261), wk = 0.0024331 k( 177) = ( 0.1086957 0.1086957 -0.1086957), wk = 0.0024331 k( 178) = ( 0.1195652 0.1195652 -0.1195652), wk = 0.0024331 k( 179) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0024331 k( 180) = ( 0.1413043 0.1413044 -0.1413043), wk = 0.0024331 k( 181) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0024331 k( 182) = ( 0.1630435 0.1630435 -0.1630435), wk = 0.0024331 k( 183) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0024331 k( 184) = ( 0.1847826 0.1847826 -0.1847826), wk = 0.0024331 k( 185) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0024331 k( 186) = ( 0.2065217 0.2065217 -0.2065217), wk = 0.0024331 k( 187) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0024331 k( 188) = ( 0.2282609 0.2282609 -0.2282609), wk = 0.0024331 k( 189) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0024331 k( 190) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024331 k( 191) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0024331 k( 192) = ( 0.2717391 0.2717391 -0.2717391), wk = 0.0024331 k( 193) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0024331 k( 194) = ( 0.2934783 0.2934783 -0.2934783), wk = 0.0024331 k( 195) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0024331 k( 196) = ( 0.3152174 0.3152174 -0.3152174), wk = 0.0024331 k( 197) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0024331 k( 198) = ( 0.3369565 0.3369565 -0.3369565), wk = 0.0024331 k( 199) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0024331 k( 200) = ( 0.3586956 0.3586957 -0.3586956), wk = 0.0024331 k( 201) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0024331 k( 202) = ( 0.3804348 0.3804348 -0.3804348), wk = 0.0024331 k( 203) = ( 0.3913044 0.3913044 -0.3913044), wk = 0.0024331 k( 204) = ( 0.4021739 0.4021739 -0.4021739), wk = 0.0024331 k( 205) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0024331 k( 206) = ( 0.4239130 0.4239130 -0.4239130), wk = 0.0024331 k( 207) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0024331 k( 208) = ( 0.4456522 0.4456522 -0.4456522), wk = 0.0024331 k( 209) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0024331 k( 210) = ( 0.4673913 0.4673913 -0.4673913), wk = 0.0024331 k( 211) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0024331 k( 212) = ( 0.4891304 0.4891304 -0.4891304), wk = 0.0024331 k( 213) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 214) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 215) = ( 0.4940848 0.5059152 -0.4940848), wk = 0.0024331 k( 216) = ( 0.4881696 0.5118304 -0.4881696), wk = 0.0024331 k( 217) = ( 0.4822545 0.5177455 -0.4822545), wk = 0.0024331 k( 218) = ( 0.4763393 0.5236607 -0.4763393), wk = 0.0024331 k( 219) = ( 0.4704241 0.5295759 -0.4704241), wk = 0.0024331 k( 220) = ( 0.4645089 0.5354911 -0.4645089), wk = 0.0024331 k( 221) = ( 0.4585937 0.5414063 -0.4585937), wk = 0.0024331 k( 222) = ( 0.4526786 0.5473214 -0.4526785), wk = 0.0024331 k( 223) = ( 0.4467634 0.5532366 -0.4467634), wk = 0.0024331 k( 224) = ( 0.4408482 0.5591518 -0.4408482), wk = 0.0024331 k( 225) = ( 0.4349330 0.5650670 -0.4349330), wk = 0.0024331 k( 226) = ( 0.4290178 0.5709822 -0.4290178), wk = 0.0024331 k( 227) = ( 0.4231026 0.5768974 -0.4231026), wk = 0.0024331 k( 228) = ( 0.4171875 0.5828125 -0.4171875), wk = 0.0024331 k( 229) = ( 0.4112723 0.5887277 -0.4112723), wk = 0.0024331 k( 230) = ( 0.4053571 0.5946429 -0.4053571), wk = 0.0024331 k( 231) = ( 0.3994419 0.6005581 -0.3994419), wk = 0.0024331 k( 232) = ( 0.3935267 0.6064733 -0.3935267), wk = 0.0024331 k( 233) = ( 0.3876116 0.6123884 -0.3876115), wk = 0.0024331 k( 234) = ( 0.3816964 0.6183036 -0.3816964), wk = 0.0024331 k( 235) = ( 0.3757812 0.6242188 -0.3757812), wk = 0.0024331 k( 236) = ( 0.3698660 0.6301340 -0.3698660), wk = 0.0024331 k( 237) = ( 0.3639508 0.6360492 -0.3639508), wk = 0.0024331 k( 238) = ( 0.3580356 0.6419643 -0.3580357), wk = 0.0024331 k( 239) = ( 0.3521205 0.6478795 -0.3521205), wk = 0.0024331 k( 240) = ( 0.3462053 0.6537947 -0.3462053), wk = 0.0024331 k( 241) = ( 0.3402901 0.6597099 -0.3402901), wk = 0.0024331 k( 242) = ( 0.3343749 0.6656251 -0.3343749), wk = 0.0024331 k( 243) = ( 0.3284597 0.6715403 -0.3284597), wk = 0.0024331 k( 244) = ( 0.3225446 0.6774554 -0.3225446), wk = 0.0024331 k( 245) = ( 0.3225446 0.6774554 -0.3225446), wk = 0.0024331 k( 246) = ( 0.3101390 0.6706302 -0.3101390), wk = 0.0024331 k( 247) = ( 0.2977334 0.6638050 -0.2977334), wk = 0.0024331 k( 248) = ( 0.2853279 0.6569798 -0.2853279), wk = 0.0024331 k( 249) = ( 0.2729223 0.6501546 -0.2729223), wk = 0.0024331 k( 250) = ( 0.2605168 0.6433294 -0.2605168), wk = 0.0024331 k( 251) = ( 0.2481112 0.6365042 -0.2481112), wk = 0.0024331 k( 252) = ( 0.2357056 0.6296790 -0.2357056), wk = 0.0024331 k( 253) = ( 0.2233001 0.6228538 -0.2233001), wk = 0.0024331 k( 254) = ( 0.2108945 0.6160286 -0.2108945), wk = 0.0024331 k( 255) = ( 0.1984890 0.6092034 -0.1984890), wk = 0.0024331 k( 256) = ( 0.1860834 0.6023781 -0.1860834), wk = 0.0024331 k( 257) = ( 0.1736778 0.5955529 -0.1736778), wk = 0.0024331 k( 258) = ( 0.1612723 0.5887277 -0.1612723), wk = 0.0024331 k( 259) = ( 0.1488667 0.5819025 -0.1488667), wk = 0.0024331 k( 260) = ( 0.1364612 0.5750773 -0.1364612), wk = 0.0024331 k( 261) = ( 0.1240556 0.5682521 -0.1240556), wk = 0.0024331 k( 262) = ( 0.1116500 0.5614269 -0.1116500), wk = 0.0024331 k( 263) = ( 0.0992445 0.5546017 -0.0992445), wk = 0.0024331 k( 264) = ( 0.0868389 0.5477765 -0.0868389), wk = 0.0024331 k( 265) = ( 0.0744334 0.5409513 -0.0744334), wk = 0.0024331 k( 266) = ( 0.0620278 0.5341261 -0.0620278), wk = 0.0024331 k( 267) = ( 0.0496222 0.5273008 -0.0496222), wk = 0.0024331 k( 268) = ( 0.0372167 0.5204756 -0.0372167), wk = 0.0024331 k( 269) = ( 0.0248111 0.5136504 -0.0248111), wk = 0.0024331 k( 270) = ( 0.0124056 0.5068252 -0.0124056), wk = 0.0024331 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024331 k( 272) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024331 k( 273) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0024331 k( 274) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0024331 k( 275) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0024331 k( 276) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0024331 k( 277) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0024331 k( 278) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0024331 k( 279) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024331 k( 280) = ( 0.0476191 0.4523810 0.0476191), wk = 0.0024331 k( 281) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0024331 k( 282) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0024331 k( 283) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0024331 k( 284) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0024331 k( 285) = ( 0.0773810 0.4226190 0.0773809), wk = 0.0024331 k( 286) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024331 k( 287) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0024331 k( 288) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0024331 k( 289) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0024331 k( 290) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0024331 k( 291) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0024331 k( 292) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0024331 k( 293) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024331 k( 294) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0024331 k( 295) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0024331 k( 296) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0024331 k( 297) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0024331 k( 298) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0024331 k( 299) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0024331 k( 300) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024331 k( 301) = ( 0.1726190 0.3273810 0.1726190), wk = 0.0024331 k( 302) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0024331 k( 303) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0024331 k( 304) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0024331 k( 305) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0024331 k( 306) = ( 0.2023810 0.2976190 0.2023809), wk = 0.0024331 k( 307) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024331 k( 308) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0024331 k( 309) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0024331 k( 310) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0024331 k( 311) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0024331 k( 312) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0024331 k( 313) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0024331 k( 314) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 k( 315) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 k( 316) = ( 0.2586207 0.2586207 0.2363762), wk = 0.0024331 k( 317) = ( 0.2672414 0.2672414 0.2227525), wk = 0.0024331 k( 318) = ( 0.2758621 0.2758621 0.2091287), wk = 0.0024331 k( 319) = ( 0.2844828 0.2844828 0.1955050), wk = 0.0024331 k( 320) = ( 0.2931034 0.2931034 0.1818812), wk = 0.0024331 k( 321) = ( 0.3017241 0.3017241 0.1682574), wk = 0.0024331 k( 322) = ( 0.3103448 0.3103448 0.1546337), wk = 0.0024331 k( 323) = ( 0.3189655 0.3189655 0.1410099), wk = 0.0024331 k( 324) = ( 0.3275862 0.3275862 0.1273861), wk = 0.0024331 k( 325) = ( 0.3362069 0.3362069 0.1137624), wk = 0.0024331 k( 326) = ( 0.3448276 0.3448276 0.1001386), wk = 0.0024331 k( 327) = ( 0.3534483 0.3534483 0.0865148), wk = 0.0024331 k( 328) = ( 0.3620690 0.3620690 0.0728911), wk = 0.0024331 k( 329) = ( 0.3706897 0.3706897 0.0592673), wk = 0.0024331 k( 330) = ( 0.3793103 0.3793103 0.0456436), wk = 0.0024331 k( 331) = ( 0.3879310 0.3879310 0.0320198), wk = 0.0024331 k( 332) = ( 0.3965517 0.3965517 0.0183960), wk = 0.0024331 k( 333) = ( 0.4051724 0.4051724 0.0047723), wk = 0.0024331 k( 334) = ( 0.4137931 0.4137931 -0.0088515), wk = 0.0024331 k( 335) = ( 0.4224138 0.4224138 -0.0224753), wk = 0.0024331 k( 336) = ( 0.4310345 0.4310345 -0.0360990), wk = 0.0024331 k( 337) = ( 0.4396552 0.4396552 -0.0497228), wk = 0.0024331 k( 338) = ( 0.4482759 0.4482759 -0.0633465), wk = 0.0024331 k( 339) = ( 0.4568966 0.4568966 -0.0769703), wk = 0.0024331 k( 340) = ( 0.4655172 0.4655172 -0.0905941), wk = 0.0024331 k( 341) = ( 0.4741379 0.4741379 -0.1042178), wk = 0.0024331 k( 342) = ( 0.4827586 0.4827586 -0.1178416), wk = 0.0024331 k( 343) = ( 0.4913793 0.4913793 -0.1314654), wk = 0.0024331 k( 344) = ( 0.5000000 0.5000000 -0.1450891), wk = 0.0024331 k( 345) = ( 0.5000000 0.5000000 -0.1450891), wk = 0.0024331 k( 346) = ( 0.5000000 0.5000000 -0.1535394), wk = 0.0024331 k( 347) = ( 0.5000000 0.5000000 -0.1619896), wk = 0.0024331 k( 348) = ( 0.5000000 0.5000000 -0.1704399), wk = 0.0024331 k( 349) = ( 0.5000000 0.5000000 -0.1788902), wk = 0.0024331 k( 350) = ( 0.5000000 0.5000000 -0.1873404), wk = 0.0024331 k( 351) = ( 0.5000000 0.5000000 -0.1957907), wk = 0.0024331 k( 352) = ( 0.5000000 0.5000000 -0.2042409), wk = 0.0024331 k( 353) = ( 0.5000000 0.5000000 -0.2126912), wk = 0.0024331 k( 354) = ( 0.5000000 0.5000000 -0.2211414), wk = 0.0024331 k( 355) = ( 0.5000000 0.5000000 -0.2295917), wk = 0.0024331 k( 356) = ( 0.5000000 0.5000000 -0.2380420), wk = 0.0024331 k( 357) = ( 0.5000000 0.5000000 -0.2464922), wk = 0.0024331 k( 358) = ( 0.5000000 0.5000000 -0.2549425), wk = 0.0024331 k( 359) = ( 0.5000000 0.5000000 -0.2633927), wk = 0.0024331 k( 360) = ( 0.5000000 0.5000000 -0.2718430), wk = 0.0024331 k( 361) = ( 0.5000000 0.5000000 -0.2802933), wk = 0.0024331 k( 362) = ( 0.5000000 0.5000000 -0.2887435), wk = 0.0024331 k( 363) = ( 0.5000000 0.5000000 -0.2971938), wk = 0.0024331 k( 364) = ( 0.5000000 0.5000000 -0.3056440), wk = 0.0024331 k( 365) = ( 0.5000000 0.5000000 -0.3140943), wk = 0.0024331 k( 366) = ( 0.5000000 0.5000000 -0.3225446), wk = 0.0024331 k( 367) = ( 0.5000000 0.5000000 -0.3309948), wk = 0.0024331 k( 368) = ( 0.5000000 0.5000000 -0.3394451), wk = 0.0024331 k( 369) = ( 0.5000000 0.5000000 -0.3478953), wk = 0.0024331 k( 370) = ( 0.5000000 0.5000000 -0.3563456), wk = 0.0024331 k( 371) = ( 0.5000000 0.5000000 -0.3647959), wk = 0.0024331 k( 372) = ( 0.5000000 0.5000000 -0.3732461), wk = 0.0024331 k( 373) = ( 0.5000000 0.5000000 -0.3816964), wk = 0.0024331 k( 374) = ( 0.5000000 0.5000000 -0.3901466), wk = 0.0024331 k( 375) = ( 0.5000000 0.5000000 -0.3985969), wk = 0.0024331 k( 376) = ( 0.5000000 0.5000000 -0.4070472), wk = 0.0024331 k( 377) = ( 0.5000000 0.5000000 -0.4154974), wk = 0.0024331 k( 378) = ( 0.5000000 0.5000000 -0.4239477), wk = 0.0024331 k( 379) = ( 0.5000000 0.5000000 -0.4323979), wk = 0.0024331 k( 380) = ( 0.5000000 0.5000000 -0.4408482), wk = 0.0024331 k( 381) = ( 0.5000000 0.5000000 -0.4492984), wk = 0.0024331 k( 382) = ( 0.5000000 0.5000000 -0.4577487), wk = 0.0024331 k( 383) = ( 0.5000000 0.5000000 -0.4661990), wk = 0.0024331 k( 384) = ( 0.5000000 0.5000000 -0.4746492), wk = 0.0024331 k( 385) = ( 0.5000000 0.5000000 -0.4830995), wk = 0.0024331 k( 386) = ( 0.5000000 0.5000000 -0.4915497), wk = 0.0024331 k( 387) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 388) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 389) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0024331 k( 390) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0024331 k( 391) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0024331 k( 392) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0024331 k( 393) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0024331 k( 394) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0024331 k( 395) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0024331 k( 396) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0024331 k( 397) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0024331 k( 398) = ( 0.1086957 0.1086957 0.3913044), wk = 0.0024331 k( 399) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0024331 k( 400) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0024331 k( 401) = ( 0.1413043 0.1413044 0.3586956), wk = 0.0024331 k( 402) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0024331 k( 403) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0024331 k( 404) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0024331 k( 405) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0024331 k( 406) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0024331 k( 407) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0024331 k( 408) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0024331 k( 409) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0024331 k( 410) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0024331 k( 411) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 Dense grid: 144473 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 32845 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 178, 44) NL pseudopotentials 0.15 Mb ( 89, 112) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 3011) G-vector shells 0.01 Mb ( 1414) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 178, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.15 Mb ( 112, 2, 44) The potential is recalculated from file : ./BeCN2.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 40.4 secs Computing kpt #: 2 total cpu time spent up to now is 41.6 secs Computing kpt #: 3 total cpu time spent up to now is 42.6 secs Computing kpt #: 4 total cpu time spent up to now is 43.8 secs Computing kpt #: 5 total cpu time spent up to now is 45.0 secs Computing kpt #: 6 total cpu time spent up to now is 46.3 secs Computing kpt #: 7 total cpu time spent up to now is 47.4 secs Computing kpt #: 8 total cpu time spent up to now is 48.5 secs Computing kpt #: 9 total cpu time spent up to now is 49.7 secs Computing kpt #: 10 total cpu time spent up to now is 50.8 secs Computing kpt #: 11 total cpu time spent up to now is 52.1 secs Computing kpt #: 12 total cpu time spent up to now is 53.3 secs Computing kpt #: 13 total cpu time spent up to now is 54.4 secs Computing kpt #: 14 total cpu time spent up to now is 55.8 secs Computing kpt #: 15 total cpu time spent up to now is 57.1 secs Computing kpt #: 16 total cpu time spent up to now is 58.4 secs Computing kpt #: 17 total cpu time spent up to now is 59.7 secs Computing kpt #: 18 total cpu time spent up to now is 61.0 secs Computing kpt #: 19 total cpu time spent up to now is 62.4 secs Computing kpt #: 20 total cpu time spent up to now is 63.8 secs Computing kpt #: 21 total cpu time spent up to now is 65.1 secs Computing kpt #: 22 total cpu time spent up to now is 66.4 secs Computing kpt #: 23 total cpu time spent up to now is 67.8 secs Computing kpt #: 24 total cpu time spent up to now is 69.2 secs Computing kpt #: 25 total cpu time spent up to now is 70.5 secs Computing kpt #: 26 total cpu time spent up to now is 71.8 secs Computing kpt #: 27 total cpu time spent up to now is 73.1 secs Computing kpt #: 28 total cpu time spent up to now is 74.6 secs Computing kpt #: 29 total cpu time spent up to now is 76.0 secs Computing kpt #: 30 total cpu time spent up to now is 77.3 secs Computing kpt #: 31 total cpu time spent up to now is 78.7 secs Computing kpt #: 32 total cpu time spent up to now is 80.2 secs Computing kpt #: 33 total cpu time spent up to now is 81.7 secs Computing kpt #: 34 total cpu time spent up to now is 83.3 secs Computing kpt #: 35 total cpu time spent up to now is 84.8 secs Computing kpt #: 36 total cpu time spent up to now is 86.3 secs Computing kpt #: 37 total cpu time spent up to now is 87.9 secs Computing kpt #: 38 total cpu time spent up to now is 89.3 secs Computing kpt #: 39 total cpu time spent up to now is 90.7 secs Computing kpt #: 40 total cpu time spent up to now is 92.2 secs Computing kpt #: 41 total cpu time spent up to now is 93.7 secs Computing kpt #: 42 total cpu time spent up to now is 95.2 secs Computing kpt #: 43 total cpu time spent up to now is 96.7 secs Computing kpt #: 44 total cpu time spent up to now is 98.2 secs Computing kpt #: 45 total cpu time spent up to now is 99.6 secs Computing kpt #: 46 total cpu time spent up to now is 101.1 secs Computing kpt #: 47 total cpu time spent up to now is 102.5 secs Computing kpt #: 48 total cpu time spent up to now is 104.1 secs Computing kpt #: 49 total cpu time spent up to now is 105.5 secs Computing kpt #: 50 total cpu time spent up to now is 107.0 secs Computing kpt #: 51 total cpu time spent up to now is 108.5 secs Computing kpt #: 52 total cpu time spent up to now is 110.0 secs Computing kpt #: 53 total cpu time spent up to now is 111.4 secs Computing kpt #: 54 total cpu time spent up to now is 112.9 secs Computing kpt #: 55 total cpu time spent up to now is 114.3 secs Computing kpt #: 56 total cpu time spent up to now is 115.7 secs Computing kpt #: 57 total cpu time spent up to now is 117.2 secs Computing kpt #: 58 total cpu time spent up to now is 118.6 secs Computing kpt #: 59 total cpu time spent up to now is 120.0 secs Computing kpt #: 60 total cpu time spent up to now is 121.4 secs Computing kpt #: 61 total cpu time spent up to now is 122.9 secs Computing kpt #: 62 total cpu time spent up to now is 124.3 secs Computing kpt #: 63 total cpu time spent up to now is 125.6 secs Computing kpt #: 64 total cpu time spent up to now is 127.0 secs Computing kpt #: 65 total cpu time spent up to now is 128.6 secs Computing kpt #: 66 total cpu time spent up to now is 130.2 secs Computing kpt #: 67 total cpu time spent up to now is 131.7 secs Computing kpt #: 68 total cpu time spent up to now is 133.3 secs Computing kpt #: 69 total cpu time spent up to now is 134.8 secs Computing kpt #: 70 total cpu time spent up to now is 136.3 secs Computing kpt #: 71 total cpu time spent up to now is 137.7 secs Computing kpt #: 72 total cpu time spent up to now is 139.1 secs Computing kpt #: 73 total cpu time spent up to now is 140.5 secs Computing kpt #: 74 total cpu time spent up to now is 141.9 secs Computing kpt #: 75 total cpu time spent up to now is 143.2 secs Computing kpt #: 76 total cpu time spent up to now is 144.5 secs Computing kpt #: 77 total cpu time spent up to now is 145.9 secs Computing kpt #: 78 total cpu time spent up to now is 147.2 secs Computing kpt #: 79 total cpu time spent up to now is 148.5 secs Computing kpt #: 80 total cpu time spent up to now is 149.9 secs Computing kpt #: 81 total cpu time spent up to now is 151.1 secs Computing kpt #: 82 total cpu time spent up to now is 152.5 secs Computing kpt #: 83 total cpu time spent up to now is 153.9 secs Computing kpt #: 84 total cpu time spent up to now is 155.4 secs Computing kpt #: 85 total cpu time spent up to now is 156.9 secs Computing kpt #: 86 total cpu time spent up to now is 158.3 secs Computing kpt #: 87 total cpu time spent up to now is 159.6 secs Computing kpt #: 88 total cpu time spent up to now is 161.0 secs Computing kpt #: 89 total cpu time spent up to now is 162.3 secs Computing kpt #: 90 total cpu time spent up to now is 163.8 secs Computing kpt #: 91 total cpu time spent up to now is 165.5 secs Computing kpt #: 92 total cpu time spent up to now is 166.9 secs Computing kpt #: 93 total cpu time spent up to now is 168.5 secs Computing kpt #: 94 total cpu time spent up to now is 169.9 secs Computing kpt #: 95 total cpu time spent up to now is 171.4 secs Computing kpt #: 96 total cpu time spent up to now is 172.9 secs Computing kpt #: 97 total cpu time spent up to now is 174.3 secs Computing kpt #: 98 total cpu time spent up to now is 175.9 secs Computing kpt #: 99 total cpu time spent up to now is 177.3 secs Computing kpt #: 100 total cpu time spent up to now is 178.9 secs Computing kpt #: 101 total cpu time spent up to now is 180.7 secs Computing kpt #: 102 total cpu time spent up to now is 182.3 secs Computing kpt #: 103 total cpu time spent up to now is 184.1 secs Computing kpt #: 104 total cpu time spent up to now is 185.8 secs Computing kpt #: 105 total cpu time spent up to now is 187.6 secs Computing kpt #: 106 total cpu time spent up to now is 189.4 secs Computing kpt #: 107 total cpu time spent up to now is 191.3 secs Computing kpt #: 108 total cpu time spent up to now is 193.2 secs Computing kpt #: 109 total cpu time spent up to now is 195.1 secs Computing kpt #: 110 total cpu time spent up to now is 197.0 secs Computing kpt #: 111 total cpu time spent up to now is 199.2 secs Computing kpt #: 112 total cpu time spent up to now is 201.2 secs Computing kpt #: 113 total cpu time spent up to now is 203.1 secs Computing kpt #: 114 total cpu time spent up to now is 205.0 secs Computing kpt #: 115 total cpu time spent up to now is 206.8 secs Computing kpt #: 116 total cpu time spent up to now is 208.6 secs Computing kpt #: 117 total cpu time spent up to now is 210.4 secs Computing kpt #: 118 total cpu time spent up to now is 212.2 secs Computing kpt #: 119 total cpu time spent up to now is 213.8 secs Computing kpt #: 120 total cpu time spent up to now is 215.4 secs Computing kpt #: 121 total cpu time spent up to now is 216.9 secs Computing kpt #: 122 total cpu time spent up to now is 218.5 secs Computing kpt #: 123 total cpu time spent up to now is 219.9 secs Computing kpt #: 124 total cpu time spent up to now is 221.3 secs Computing kpt #: 125 total cpu time spent up to now is 222.7 secs Computing kpt #: 126 total cpu time spent up to now is 224.1 secs Computing kpt #: 127 total cpu time spent up to now is 225.6 secs Computing kpt #: 128 total cpu time spent up to now is 226.9 secs Computing kpt #: 129 total cpu time spent up to now is 228.3 secs Computing kpt #: 130 total cpu time spent up to now is 229.8 secs Computing kpt #: 131 total cpu time spent up to now is 231.3 secs Computing kpt #: 132 total cpu time spent up to now is 232.7 secs Computing kpt #: 133 total cpu time spent up to now is 234.1 secs Computing kpt #: 134 total cpu time spent up to now is 235.7 secs Computing kpt #: 135 total cpu time spent up to now is 237.3 secs Computing kpt #: 136 total cpu time spent up to now is 238.7 secs Computing kpt #: 137 total cpu time spent up to now is 240.3 secs Computing kpt #: 138 total cpu time spent up to now is 241.8 secs Computing kpt #: 139 total cpu time spent up to now is 243.5 secs Computing kpt #: 140 total cpu time spent up to now is 245.1 secs Computing kpt #: 141 total cpu time spent up to now is 246.7 secs Computing kpt #: 142 total cpu time spent up to now is 248.5 secs Computing kpt #: 143 total cpu time spent up to now is 250.3 secs Computing kpt #: 144 total cpu time spent up to now is 252.0 secs Computing kpt #: 145 total cpu time spent up to now is 253.9 secs Computing kpt #: 146 total cpu time spent up to now is 255.5 secs Computing kpt #: 147 total cpu time spent up to now is 257.0 secs Computing kpt #: 148 total cpu time spent up to now is 258.5 secs Computing kpt #: 149 total cpu time spent up to now is 259.8 secs Computing kpt #: 150 total cpu time spent up to now is 261.2 secs Computing kpt #: 151 total cpu time spent up to now is 262.5 secs Computing kpt #: 152 total cpu time spent up to now is 263.8 secs Computing kpt #: 153 total cpu time spent up to now is 265.0 secs Computing kpt #: 154 total cpu time spent up to now is 266.3 secs Computing kpt #: 155 total cpu time spent up to now is 267.6 secs Computing kpt #: 156 total cpu time spent up to now is 268.9 secs Computing kpt #: 157 total cpu time spent up to now is 270.0 secs Computing kpt #: 158 total cpu time spent up to now is 271.1 secs Computing kpt #: 159 total cpu time spent up to now is 272.2 secs Computing kpt #: 160 total cpu time spent up to now is 273.4 secs Computing kpt #: 161 total cpu time spent up to now is 274.5 secs Computing kpt #: 162 total cpu time spent up to now is 275.6 secs Computing kpt #: 163 total cpu time spent up to now is 276.6 secs Computing kpt #: 164 total cpu time spent up to now is 277.8 secs Computing kpt #: 165 total cpu time spent up to now is 278.9 secs Computing kpt #: 166 total cpu time spent up to now is 279.9 secs Computing kpt #: 167 total cpu time spent up to now is 280.9 secs Computing kpt #: 168 total cpu time spent up to now is 282.0 secs Computing kpt #: 169 total cpu time spent up to now is 283.0 secs Computing kpt #: 170 total cpu time spent up to now is 284.2 secs Computing kpt #: 171 total cpu time spent up to now is 285.3 secs Computing kpt #: 172 total cpu time spent up to now is 286.4 secs Computing kpt #: 173 total cpu time spent up to now is 287.5 secs Computing kpt #: 174 total cpu time spent up to now is 288.5 secs Computing kpt #: 175 total cpu time spent up to now is 289.6 secs Computing kpt #: 176 total cpu time spent up to now is 290.8 secs Computing kpt #: 177 total cpu time spent up to now is 291.9 secs Computing kpt #: 178 total cpu time spent up to now is 293.0 secs Computing kpt #: 179 total cpu time spent up to now is 294.0 secs Computing kpt #: 180 total cpu time spent up to now is 295.1 secs Computing kpt #: 181 total cpu time spent up to now is 296.2 secs Computing kpt #: 182 total cpu time spent up to now is 297.3 secs Computing kpt #: 183 total cpu time spent up to now is 298.4 secs Computing kpt #: 184 total cpu time spent up to now is 299.6 secs Computing kpt #: 185 total cpu time spent up to now is 300.7 secs Computing kpt #: 186 total cpu time spent up to now is 301.8 secs Computing kpt #: 187 total cpu time spent up to now is 302.9 secs Computing kpt #: 188 total cpu time spent up to now is 303.9 secs Computing kpt #: 189 total cpu time spent up to now is 305.1 secs Computing kpt #: 190 total cpu time spent up to now is 306.1 secs Computing kpt #: 191 total cpu time spent up to now is 307.2 secs Computing kpt #: 192 total cpu time spent up to now is 308.3 secs Computing kpt #: 193 total cpu time spent up to now is 309.4 secs Computing kpt #: 194 total cpu time spent up to now is 310.4 secs Computing kpt #: 195 total cpu time spent up to now is 311.9 secs Computing kpt #: 196 total cpu time spent up to now is 313.7 secs Computing kpt #: 197 total cpu time spent up to now is 315.5 secs Computing kpt #: 198 total cpu time spent up to now is 317.2 secs Computing kpt #: 199 total cpu time spent up to now is 318.3 secs Computing kpt #: 200 total cpu time spent up to now is 319.5 secs Computing kpt #: 201 total cpu time spent up to now is 320.7 secs Computing kpt #: 202 total cpu time spent up to now is 321.8 secs Computing kpt #: 203 total cpu time spent up to now is 322.9 secs Computing kpt #: 204 total cpu time spent up to now is 323.9 secs Computing kpt #: 205 total cpu time spent up to now is 324.9 secs Computing kpt #: 206 total cpu time spent up to now is 326.0 secs Computing kpt #: 207 total cpu time spent up to now is 327.1 secs Computing kpt #: 208 total cpu time spent up to now is 328.2 secs Computing kpt #: 209 total cpu time spent up to now is 329.3 secs Computing kpt #: 210 total cpu time spent up to now is 330.3 secs Computing kpt #: 211 total cpu time spent up to now is 331.6 secs Computing kpt #: 212 total cpu time spent up to now is 332.7 secs Computing kpt #: 213 total cpu time spent up to now is 333.8 secs Computing kpt #: 214 total cpu time spent up to now is 334.8 secs Computing kpt #: 215 total cpu time spent up to now is 335.9 secs Computing kpt #: 216 total cpu time spent up to now is 336.9 secs Computing kpt #: 217 total cpu time spent up to now is 338.0 secs Computing kpt #: 218 total cpu time spent up to now is 339.1 secs Computing kpt #: 219 total cpu time spent up to now is 340.2 secs Computing kpt #: 220 total cpu time spent up to now is 341.3 secs Computing kpt #: 221 total cpu time spent up to now is 342.4 secs Computing kpt #: 222 total cpu time spent up to now is 343.5 secs Computing kpt #: 223 total cpu time spent up to now is 344.8 secs Computing kpt #: 224 total cpu time spent up to now is 346.1 secs Computing kpt #: 225 total cpu time spent up to now is 347.4 secs Computing kpt #: 226 total cpu time spent up to now is 348.6 secs Computing kpt #: 227 total cpu time spent up to now is 350.0 secs Computing kpt #: 228 total cpu time spent up to now is 351.4 secs Computing kpt #: 229 total cpu time spent up to now is 352.7 secs Computing kpt #: 230 total cpu time spent up to now is 354.1 secs Computing kpt #: 231 total cpu time spent up to now is 355.5 secs Computing kpt #: 232 total cpu time spent up to now is 357.0 secs Computing kpt #: 233 total cpu time spent up to now is 358.5 secs Computing kpt #: 234 total cpu time spent up to now is 359.9 secs Computing kpt #: 235 total cpu time spent up to now is 361.6 secs Computing kpt #: 236 total cpu time spent up to now is 363.4 secs Computing kpt #: 237 total cpu time spent up to now is 365.1 secs Computing kpt #: 238 total cpu time spent up to now is 366.9 secs Computing kpt #: 239 total cpu time spent up to now is 368.9 secs Computing kpt #: 240 total cpu time spent up to now is 371.1 secs Computing kpt #: 241 total cpu time spent up to now is 373.3 secs Computing kpt #: 242 total cpu time spent up to now is 375.6 secs Computing kpt #: 243 total cpu time spent up to now is 377.8 secs Computing kpt #: 244 total cpu time spent up to now is 380.1 secs Computing kpt #: 245 total cpu time spent up to now is 382.4 secs Computing kpt #: 246 total cpu time spent up to now is 384.3 secs Computing kpt #: 247 total cpu time spent up to now is 386.2 secs Computing kpt #: 248 total cpu time spent up to now is 388.1 secs Computing kpt #: 249 total cpu time spent up to now is 390.0 secs Computing kpt #: 250 total cpu time spent up to now is 391.9 secs Computing kpt #: 251 total cpu time spent up to now is 393.8 secs Computing kpt #: 252 total cpu time spent up to now is 395.7 secs Computing kpt #: 253 total cpu time spent up to now is 397.5 secs Computing kpt #: 254 total cpu time spent up to now is 399.4 secs Computing kpt #: 255 total cpu time spent up to now is 401.3 secs Computing kpt #: 256 total cpu time spent up to now is 403.2 secs Computing kpt #: 257 total cpu time spent up to now is 405.2 secs Computing kpt #: 258 total cpu time spent up to now is 407.2 secs Computing kpt #: 259 total cpu time spent up to now is 409.0 secs Computing kpt #: 260 total cpu time spent up to now is 411.0 secs Computing kpt #: 261 total cpu time spent up to now is 412.9 secs Computing kpt #: 262 total cpu time spent up to now is 414.5 secs Computing kpt #: 263 total cpu time spent up to now is 416.2 secs Computing kpt #: 264 total cpu time spent up to now is 417.8 secs Computing kpt #: 265 total cpu time spent up to now is 419.3 secs Computing kpt #: 266 total cpu time spent up to now is 420.8 secs Computing kpt #: 267 total cpu time spent up to now is 422.4 secs Computing kpt #: 268 total cpu time spent up to now is 424.2 secs Computing kpt #: 269 total cpu time spent up to now is 425.7 secs Computing kpt #: 270 total cpu time spent up to now is 427.1 secs Computing kpt #: 271 total cpu time spent up to now is 428.7 secs Computing kpt #: 272 total cpu time spent up to now is 430.1 secs Computing kpt #: 273 total cpu time spent up to now is 431.6 secs Computing kpt #: 274 total cpu time spent up to now is 433.1 secs Computing kpt #: 275 total cpu time spent up to now is 434.7 secs Computing kpt #: 276 total cpu time spent up to now is 436.3 secs Computing kpt #: 277 total cpu time spent up to now is 437.9 secs Computing kpt #: 278 total cpu time spent up to now is 439.6 secs Computing kpt #: 279 total cpu time spent up to now is 441.2 secs Computing kpt #: 280 total cpu time spent up to now is 442.8 secs Computing kpt #: 281 total cpu time spent up to now is 444.5 secs Computing kpt #: 282 total cpu time spent up to now is 446.1 secs Computing kpt #: 283 total cpu time spent up to now is 447.8 secs Computing kpt #: 284 total cpu time spent up to now is 449.4 secs Computing kpt #: 285 total cpu time spent up to now is 451.0 secs Computing kpt #: 286 total cpu time spent up to now is 452.7 secs Computing kpt #: 287 total cpu time spent up to now is 454.3 secs Computing kpt #: 288 total cpu time spent up to now is 455.9 secs Computing kpt #: 289 total cpu time spent up to now is 457.6 secs Computing kpt #: 290 total cpu time spent up to now is 459.2 secs Computing kpt #: 291 total cpu time spent up to now is 460.7 secs Computing kpt #: 292 total cpu time spent up to now is 462.3 secs Computing kpt #: 293 total cpu time spent up to now is 464.0 secs Computing kpt #: 294 total cpu time spent up to now is 465.6 secs Computing kpt #: 295 total cpu time spent up to now is 467.1 secs Computing kpt #: 296 total cpu time spent up to now is 468.7 secs Computing kpt #: 297 total cpu time spent up to now is 470.4 secs Computing kpt #: 298 total cpu time spent up to now is 472.1 secs Computing kpt #: 299 total cpu time spent up to now is 473.6 secs Computing kpt #: 300 total cpu time spent up to now is 475.2 secs Computing kpt #: 301 total cpu time spent up to now is 476.8 secs Computing kpt #: 302 total cpu time spent up to now is 478.3 secs Computing kpt #: 303 total cpu time spent up to now is 480.0 secs Computing kpt #: 304 total cpu time spent up to now is 481.5 secs Computing kpt #: 305 total cpu time spent up to now is 483.1 secs Computing kpt #: 306 total cpu time spent up to now is 484.6 secs Computing kpt #: 307 total cpu time spent up to now is 486.0 secs Computing kpt #: 308 total cpu time spent up to now is 487.4 secs Computing kpt #: 309 total cpu time spent up to now is 488.9 secs Computing kpt #: 310 total cpu time spent up to now is 490.2 secs Computing kpt #: 311 total cpu time spent up to now is 491.5 secs Computing kpt #: 312 total cpu time spent up to now is 492.7 secs Computing kpt #: 313 total cpu time spent up to now is 493.8 secs Computing kpt #: 314 total cpu time spent up to now is 495.0 secs Computing kpt #: 315 total cpu time spent up to now is 496.1 secs Computing kpt #: 316 total cpu time spent up to now is 497.2 secs Computing kpt #: 317 total cpu time spent up to now is 498.4 secs Computing kpt #: 318 total cpu time spent up to now is 499.8 secs Computing kpt #: 319 total cpu time spent up to now is 501.2 secs Computing kpt #: 320 total cpu time spent up to now is 502.5 secs Computing kpt #: 321 total cpu time spent up to now is 503.9 secs Computing kpt #: 322 total cpu time spent up to now is 505.2 secs Computing kpt #: 323 total cpu time spent up to now is 506.8 secs Computing kpt #: 324 total cpu time spent up to now is 508.3 secs Computing kpt #: 325 total cpu time spent up to now is 509.7 secs Computing kpt #: 326 total cpu time spent up to now is 511.2 secs Computing kpt #: 327 total cpu time spent up to now is 512.7 secs Computing kpt #: 328 total cpu time spent up to now is 514.2 secs Computing kpt #: 329 total cpu time spent up to now is 515.7 secs Computing kpt #: 330 total cpu time spent up to now is 517.1 secs Computing kpt #: 331 total cpu time spent up to now is 518.7 secs Computing kpt #: 332 total cpu time spent up to now is 520.3 secs Computing kpt #: 333 total cpu time spent up to now is 521.7 secs Computing kpt #: 334 total cpu time spent up to now is 523.2 secs Computing kpt #: 335 total cpu time spent up to now is 524.7 secs Computing kpt #: 336 total cpu time spent up to now is 526.2 secs Computing kpt #: 337 total cpu time spent up to now is 527.6 secs Computing kpt #: 338 total cpu time spent up to now is 529.0 secs Computing kpt #: 339 total cpu time spent up to now is 530.4 secs Computing kpt #: 340 total cpu time spent up to now is 531.8 secs Computing kpt #: 341 total cpu time spent up to now is 533.1 secs Computing kpt #: 342 total cpu time spent up to now is 534.5 secs Computing kpt #: 343 total cpu time spent up to now is 535.8 secs Computing kpt #: 344 total cpu time spent up to now is 537.2 secs Computing kpt #: 345 total cpu time spent up to now is 538.5 secs Computing kpt #: 346 total cpu time spent up to now is 539.8 secs Computing kpt #: 347 total cpu time spent up to now is 541.0 secs Computing kpt #: 348 total cpu time spent up to now is 542.3 secs Computing kpt #: 349 total cpu time spent up to now is 543.6 secs Computing kpt #: 350 total cpu time spent up to now is 544.9 secs Computing kpt #: 351 total cpu time spent up to now is 546.2 secs Computing kpt #: 352 total cpu time spent up to now is 547.7 secs Computing kpt #: 353 total cpu time spent up to now is 549.1 secs Computing kpt #: 354 total cpu time spent up to now is 550.5 secs Computing kpt #: 355 total cpu time spent up to now is 552.0 secs Computing kpt #: 356 total cpu time spent up to now is 553.6 secs Computing kpt #: 357 total cpu time spent up to now is 555.2 secs Computing kpt #: 358 total cpu time spent up to now is 556.7 secs Computing kpt #: 359 total cpu time spent up to now is 558.2 secs Computing kpt #: 360 total cpu time spent up to now is 559.7 secs Computing kpt #: 361 total cpu time spent up to now is 561.2 secs Computing kpt #: 362 total cpu time spent up to now is 562.7 secs Computing kpt #: 363 total cpu time spent up to now is 564.1 secs Computing kpt #: 364 total cpu time spent up to now is 565.7 secs Computing kpt #: 365 total cpu time spent up to now is 567.1 secs Computing kpt #: 366 total cpu time spent up to now is 568.6 secs Computing kpt #: 367 total cpu time spent up to now is 569.9 secs Computing kpt #: 368 total cpu time spent up to now is 571.2 secs Computing kpt #: 369 total cpu time spent up to now is 572.6 secs Computing kpt #: 370 total cpu time spent up to now is 573.9 secs Computing kpt #: 371 total cpu time spent up to now is 575.2 secs Computing kpt #: 372 total cpu time spent up to now is 576.5 secs Computing kpt #: 373 total cpu time spent up to now is 577.8 secs Computing kpt #: 374 total cpu time spent up to now is 579.2 secs Computing kpt #: 375 total cpu time spent up to now is 580.7 secs Computing kpt #: 376 total cpu time spent up to now is 581.9 secs Computing kpt #: 377 total cpu time spent up to now is 583.1 secs Computing kpt #: 378 total cpu time spent up to now is 584.4 secs Computing kpt #: 379 total cpu time spent up to now is 585.6 secs Computing kpt #: 380 total cpu time spent up to now is 586.7 secs Computing kpt #: 381 total cpu time spent up to now is 587.8 secs Computing kpt #: 382 total cpu time spent up to now is 588.9 secs Computing kpt #: 383 total cpu time spent up to now is 590.0 secs Computing kpt #: 384 total cpu time spent up to now is 591.1 secs Computing kpt #: 385 total cpu time spent up to now is 592.1 secs Computing kpt #: 386 total cpu time spent up to now is 593.2 secs Computing kpt #: 387 total cpu time spent up to now is 594.3 secs Computing kpt #: 388 total cpu time spent up to now is 595.7 secs Computing kpt #: 389 total cpu time spent up to now is 597.2 secs Computing kpt #: 390 total cpu time spent up to now is 598.7 secs Computing kpt #: 391 total cpu time spent up to now is 600.1 secs Computing kpt #: 392 total cpu time spent up to now is 601.7 secs Computing kpt #: 393 total cpu time spent up to now is 603.1 secs Computing kpt #: 394 total cpu time spent up to now is 604.7 secs Computing kpt #: 395 total cpu time spent up to now is 606.2 secs Computing kpt #: 396 total cpu time spent up to now is 607.7 secs Computing kpt #: 397 total cpu time spent up to now is 609.2 secs Computing kpt #: 398 total cpu time spent up to now is 610.6 secs Computing kpt #: 399 total cpu time spent up to now is 612.4 secs Computing kpt #: 400 total cpu time spent up to now is 614.9 secs Computing kpt #: 401 total cpu time spent up to now is 617.2 secs Computing kpt #: 402 total cpu time spent up to now is 618.9 secs Computing kpt #: 403 total cpu time spent up to now is 620.4 secs Computing kpt #: 404 total cpu time spent up to now is 621.8 secs Computing kpt #: 405 total cpu time spent up to now is 623.2 secs Computing kpt #: 406 total cpu time spent up to now is 624.5 secs Computing kpt #: 407 total cpu time spent up to now is 626.1 secs Computing kpt #: 408 total cpu time spent up to now is 627.4 secs Computing kpt #: 409 total cpu time spent up to now is 628.7 secs Computing kpt #: 410 total cpu time spent up to now is 629.8 secs Computing kpt #: 411 total cpu time spent up to now is 630.9 secs ethr = 2.78E-11, avg # of iterations = 29.2 total cpu time spent up to now is 631.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4091 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8837 -10.8837 -4.5415 -4.5415 -4.3682 -4.3682 -4.3674 -4.3674 -3.0896 -3.0896 1.9600 1.9600 1.9606 1.9606 2.4677 2.4677 3.6005 3.6005 4.3696 4.3696 5.8711 5.8711 6.7743 6.7743 6.7787 6.7787 10.0462 10.0462 10.0603 10.0603 10.3236 10.3236 14.2084 14.2084 17.7458 17.7458 17.7533 17.7533 18.3962 18.3962 k = 0.0000 0.0000 0.0138 ( 4099 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8829 -10.8829 -4.5427 -4.5426 -4.3715 -4.3714 -4.3687 -4.3687 -3.0853 -3.0853 1.9533 1.9534 1.9597 1.9597 2.4727 2.4730 3.6046 3.6048 4.3694 4.3695 5.8725 5.8726 6.7744 6.7744 6.7792 6.7793 10.0433 10.0443 10.0582 10.0583 10.3208 10.3216 14.2125 14.2126 17.7462 17.7466 17.7539 17.7540 18.3991 18.3996 k = 0.0000 0.0000 0.0275 ( 4095 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8804 -10.8804 -4.5464 -4.5462 -4.3819 -4.3817 -4.3718 -4.3718 -3.0727 -3.0726 1.9332 1.9333 1.9578 1.9578 2.4872 2.4878 3.6171 3.6175 4.3690 4.3691 5.8769 5.8772 6.7730 6.7731 6.7824 6.7824 10.0333 10.0354 10.0542 10.0546 10.3130 10.3147 14.2248 14.2250 17.7478 17.7485 17.7558 17.7560 18.4082 18.4091 k = 0.0000 0.0000 0.0413 ( 4093 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8762 -10.8762 -4.5532 -4.5529 -4.3981 -4.3978 -4.3768 -4.3768 -3.0522 -3.0521 1.9021 1.9022 1.9547 1.9548 2.5096 2.5105 3.6377 3.6384 4.3681 4.3682 5.8843 5.8846 6.7697 6.7700 6.7887 6.7888 10.0145 10.0173 10.0506 10.0511 10.3004 10.3028 14.2453 14.2455 17.7503 17.7511 17.7592 17.7598 18.4233 18.4246 k = 0.0000 0.0000 0.0550 ( 4099 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8704 -10.8704 -4.5644 -4.5639 -4.4181 -4.4177 -4.3838 -4.3837 -3.0246 -3.0245 1.8622 1.8623 1.9506 1.9507 2.5379 2.5389 3.6660 3.6669 4.3666 4.3668 5.8946 5.8951 6.7653 6.7658 6.7978 6.7979 9.9873 9.9908 10.0471 10.0475 10.2829 10.2860 14.2737 14.2740 17.7536 17.7542 17.7646 17.7657 18.4437 18.4454 k = 0.0000 0.0000 0.0688 ( 4101 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8629 -10.8629 -4.5814 -4.5808 -4.4394 -4.4388 -4.3927 -4.3926 -2.9908 -2.9906 1.8157 1.8157 1.9455 1.9456 2.5703 2.5715 3.7016 3.7027 4.3642 4.3644 5.9080 5.9085 6.7602 6.7608 6.8096 6.8096 9.9527 9.9567 10.0429 10.0433 10.2606 10.2642 14.3097 14.3101 17.7574 17.7579 17.7722 17.7738 18.4691 18.4711 k = 0.0000 0.0000 0.0825 ( 4101 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8537 -10.8537 -4.6063 -4.6056 -4.4591 -4.4584 -4.4034 -4.4033 -2.9517 -2.9516 1.7641 1.7642 1.9395 1.9396 2.6057 2.6070 3.7438 3.7451 4.3605 4.3608 5.9242 5.9249 6.7549 6.7556 6.8238 6.8238 9.9111 9.9155 10.0381 10.0385 10.2334 10.2374 14.3530 14.3535 17.7618 17.7621 17.7822 17.7842 18.4986 18.5008 k = 0.0000 0.0000 0.0963 ( 4113 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8429 -10.8429 -4.6397 -4.6389 -4.4757 -4.4750 -4.4160 -4.4158 -2.9083 -2.9081 1.7088 1.7088 1.9329 1.9331 2.6435 2.6449 3.7921 3.7936 4.3553 4.3557 5.9435 5.9443 6.7499 6.7508 6.8403 6.8404 9.8630 9.8678 10.0324 10.0328 10.2014 10.2058 14.4033 14.4038 17.7668 17.7670 17.7946 17.7969 18.5315 18.5339 k = 0.0000 0.0000 0.1100 ( 4113 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8304 -10.8304 -4.6810 -4.6802 -4.4890 -4.4883 -4.4302 -4.4301 -2.8613 -2.8612 1.6506 1.6506 1.9259 1.9260 2.6831 2.6846 3.8459 3.8475 4.3482 4.3486 5.9657 5.9666 6.7457 6.7468 6.8591 6.8592 9.8091 9.8142 10.0259 10.0263 10.1647 10.1694 14.4601 14.4607 17.7724 17.7726 17.8093 17.8119 18.5670 18.5696 k = 0.0000 0.0000 0.1238 ( 4117 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8163 -10.8163 -4.7285 -4.7278 -4.5000 -4.4993 -4.4462 -4.4460 -2.8115 -2.8113 1.5902 1.5903 1.9185 1.9187 2.7243 2.7259 3.9045 3.9063 4.3387 4.3392 5.9908 5.9918 6.7430 6.7442 6.8800 6.8801 9.7497 9.7550 10.0185 10.0190 10.1235 10.1283 14.5229 14.5236 17.7788 17.7789 17.8264 17.8291 18.6043 18.6070 k = 0.0000 0.0000 0.1375 ( 4117 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8005 -10.8005 -4.7809 -4.7802 -4.5096 -4.5090 -4.4637 -4.4635 -2.7595 -2.7593 1.5283 1.5284 1.9111 1.9114 2.7671 2.7687 3.9675 3.9694 4.3266 4.3272 6.0187 6.0200 6.7422 6.7436 6.9027 6.9029 9.6854 9.6909 10.0100 10.0107 10.0781 10.0828 14.5912 14.5919 17.7859 17.7859 17.8457 17.8486 18.6426 18.6454 k = 0.0000 0.0000 0.1513 ( 4107 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7831 -10.7831 -4.8369 -4.8362 -4.5186 -4.5180 -4.4827 -4.4825 -2.7058 -2.7056 1.4652 1.4654 1.9039 1.9041 2.8112 2.8129 4.0343 4.0363 4.3115 4.3122 6.0496 6.0509 6.7440 6.7455 6.9272 6.9274 9.6169 9.6225 9.9998 10.0013 10.0294 10.0334 14.6645 14.6653 17.7937 17.7937 17.8671 17.8701 18.6812 18.6840 k = 0.0000 0.0000 0.1650 ( 4111 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7641 -10.7640 -4.8957 -4.8950 -4.5273 -4.5268 -4.5031 -4.5029 -2.6508 -2.6506 1.4014 1.4016 1.8970 1.8973 2.8567 2.8585 4.1045 4.1066 4.2932 4.2941 6.0832 6.0847 6.7487 6.7505 6.9531 6.9533 9.5446 9.5503 9.9705 9.9771 9.9939 9.9949 14.7423 14.7432 17.8022 17.8023 17.8904 17.8934 18.7194 18.7223 k = 0.0000 0.0000 0.1788 ( 4105 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7434 -10.7434 -4.9566 -4.9560 -4.5362 -4.5357 -4.5248 -4.5246 -2.5949 -2.5947 1.3370 1.3373 1.8906 1.8910 2.9035 2.9053 4.1777 4.1799 4.2716 4.2726 6.1194 6.1211 6.7568 6.7588 6.9801 6.9803 9.4693 9.4751 9.9146 9.9205 9.9821 9.9824 14.8241 14.8250 17.8116 17.8116 17.9153 17.9184 18.7567 18.7596 k = 0.0000 0.0000 0.1925 ( 4109 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7211 -10.7211 -5.0193 -5.0187 -4.5477 -4.5475 -4.5453 -4.5448 -2.5385 -2.5383 1.2724 1.2727 1.8849 1.8854 2.9514 2.9533 4.2466 4.2478 4.2536 4.2559 6.1583 6.1601 6.7686 6.7708 7.0079 7.0081 9.3915 9.3974 9.8536 9.8593 9.9705 9.9706 14.9092 14.9102 17.8217 17.8218 17.9417 17.9448 18.7926 18.7956 k = 0.0000 0.0000 0.2063 ( 4105 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.6972 -10.6972 -5.0833 -5.0827 -4.5716 -4.5713 -4.5550 -4.5545 -2.4817 -2.4815 1.2078 1.2081 1.8802 1.8806 3.0005 3.0024 4.2184 4.2196 4.3318 4.3341 6.1997 6.2016 6.7844 6.7869 7.0360 7.0363 9.3121 9.3180 9.7891 9.7947 9.9581 9.9582 14.9973 14.9984 17.8327 17.8328 17.9692 17.9723 18.8267 18.8297 k = 0.0000 0.0000 0.2200 ( 4091 PWs) bands (ev): -86.9424 -86.9424 -86.9395 -86.9395 -10.6717 -10.6717 -5.1484 -5.1478 -4.5965 -4.5962 -4.5652 -4.5648 -2.4249 -2.4246 1.1433 1.1436 1.8765 1.8770 3.0505 3.0525 4.1869 4.1883 4.4121 4.4145 6.2434 6.2455 6.8043 6.8070 7.0639 7.0643 9.2318 9.2378 9.7215 9.7271 9.9450 9.9450 15.0878 15.0890 17.8446 17.8447 17.9975 18.0006 18.8589 18.8619 k = 0.0000 0.0000 0.2338 ( 4095 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.6446 -10.6446 -5.2143 -5.2138 -4.6223 -4.6220 -4.5761 -4.5757 -2.3681 -2.3679 1.0791 1.0794 1.8739 1.8745 3.1014 3.1034 4.1525 4.1540 4.4943 4.4967 6.2893 6.2916 6.8284 6.8312 7.0912 7.0916 9.1514 9.1575 9.6511 9.6567 9.9311 9.9311 15.1803 15.1815 17.8573 17.8574 18.0263 18.0292 18.8888 18.8919 k = 0.0000 0.0000 0.2475 ( 4091 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.6159 -10.6159 -5.2809 -5.2804 -4.6488 -4.6485 -4.5877 -4.5873 -2.3116 -2.3113 1.0153 1.0156 1.8726 1.8732 3.1529 3.1549 4.1155 4.1171 4.5782 4.5806 6.3374 6.3398 6.8565 6.8595 7.1169 7.1174 9.0720 9.0782 9.5783 9.5838 9.9164 9.9165 15.2742 15.2755 17.8710 17.8711 18.0550 18.0580 18.9164 18.9196 k = 0.0000 0.0000 0.2613 ( 4081 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.5857 -10.5857 -5.3481 -5.3476 -4.6760 -4.6757 -4.6000 -4.5996 -2.2555 -2.2552 0.9520 0.9523 1.8726 1.8734 3.2050 3.2070 4.0763 4.0781 4.6635 4.6660 6.3875 6.3900 6.8885 6.8918 7.1404 7.1410 8.9946 9.0009 9.5033 9.5088 9.9009 9.9011 15.3692 15.3705 17.8856 17.8857 18.0834 18.0863 18.9417 18.9450 k = 0.0000 0.0000 0.2750 ( 4077 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.5539 -10.5538 -5.4158 -5.4153 -4.7037 -4.7034 -4.6132 -4.6127 -2.1998 -2.1995 0.8894 0.8897 1.8741 1.8749 3.2573 3.2594 4.0353 4.0372 4.7501 4.7526 6.4394 6.4421 6.9243 6.9278 7.1607 7.1613 8.9204 8.9267 9.4265 9.4320 9.8848 9.8850 15.4649 15.4663 17.9013 17.9014 18.1111 18.1139 18.9647 18.9682 k = 0.0000 0.0000 0.2888 ( 4081 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.5206 -10.5205 -5.4838 -5.4833 -4.7318 -4.7315 -4.6271 -4.6267 -2.1447 -2.1445 0.8275 0.8278 1.8770 1.8778 3.3098 3.3118 3.9931 3.9951 4.8379 4.8404 6.4931 6.4959 6.9636 6.9672 7.1768 7.1774 8.8505 8.8570 9.3482 9.3537 9.8679 9.8682 15.5608 15.5623 17.9180 17.9181 18.1376 18.1404 18.9854 18.9891 k = 0.0000 0.0000 0.3025 ( 4081 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.4857 -10.4856 -5.5521 -5.5516 -4.7603 -4.7600 -4.6419 -4.6415 -2.0903 -2.0900 0.7664 0.7667 1.8813 1.8822 3.3620 3.3641 3.9502 3.9523 4.9266 4.9291 6.5484 6.5514 7.0060 7.0098 7.1873 7.1879 8.7865 8.7930 9.2688 9.2743 9.8504 9.8507 15.6567 15.6582 17.9359 17.9360 18.1626 18.1653 19.0039 19.0079 k = 0.0000 0.0000 0.3163 ( 4067 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.4493 -10.4492 -5.6206 -5.6202 -4.7890 -4.7887 -4.6576 -4.6571 -2.0366 -2.0363 0.7062 0.7065 1.8870 1.8880 3.4139 3.4159 3.9070 3.9093 5.0160 5.0186 6.6053 6.6083 7.0513 7.0552 7.1913 7.1919 8.7295 8.7361 9.1885 9.1941 9.8324 9.8327 15.7522 15.7538 17.9550 17.9550 18.1856 18.1882 19.0202 19.0245 k = 0.0000 0.0000 0.3300 ( 4066 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.4114 -10.4114 -5.6893 -5.6889 -4.8179 -4.8175 -4.6741 -4.6736 -1.9837 -1.9834 0.6469 0.6472 1.8940 1.8951 3.4651 3.4671 3.8643 3.8667 5.1061 5.1087 6.6635 6.6667 7.0989 7.1030 7.1875 7.1881 8.6808 8.6875 9.1080 9.1137 9.8138 9.8141 15.8471 15.8487 17.9753 17.9754 18.2064 18.2089 19.0345 19.0390 k = 0.0000 0.0000 0.3438 ( 4062 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.3721 -10.3720 -5.7582 -5.7578 -4.8467 -4.8464 -4.6914 -4.6910 -1.9316 -1.9313 0.5886 0.5890 1.9023 1.9035 3.5154 3.5174 3.8225 3.8251 5.1965 5.1991 6.7231 6.7263 7.1486 7.1527 7.1751 7.1756 8.6414 8.6481 9.0277 9.0335 9.7947 9.7951 15.9409 15.9426 17.9970 17.9971 18.2246 18.2271 19.0468 19.0516 k = 0.0000 0.0000 0.3575 ( 4082 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.3312 -10.3312 -5.8273 -5.8268 -4.8756 -4.8752 -4.7096 -4.7091 -1.8803 -1.8800 0.5314 0.5317 1.9118 1.9130 3.5643 3.5664 3.7823 3.7849 5.2871 5.2897 6.7837 6.7871 7.1535 7.1538 7.2000 7.2043 8.6114 8.6182 8.9483 8.9543 9.7752 9.7757 16.0336 16.0353 18.0201 18.0202 18.2401 18.2424 19.0571 19.0622 k = 0.0000 0.0000 0.3713 ( 4086 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.2889 -10.2889 -5.8964 -5.8960 -4.9042 -4.9039 -4.7285 -4.7281 -1.8299 -1.8296 0.4752 0.4756 1.9222 1.9236 3.6117 3.6137 3.7441 3.7468 5.3776 5.3802 6.8454 6.8489 7.1228 7.1229 7.2526 7.2570 8.5905 8.5973 8.8711 8.8773 9.7555 9.7560 16.1248 16.1266 18.0448 18.0448 18.2525 18.2548 19.0655 19.0709 k = 0.0000 0.0000 0.3850 ( 4094 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.2452 -10.2452 -5.9656 -5.9652 -4.9327 -4.9323 -4.7483 -4.7479 -1.7804 -1.7801 0.4202 0.4205 1.9336 1.9350 3.6571 3.6591 3.7085 3.7113 5.4677 5.4703 6.9078 6.9114 7.0832 7.0834 7.3062 7.3106 8.5765 8.5833 8.7982 8.8045 9.7355 9.7361 16.2144 16.2162 18.0712 18.0712 18.2620 18.2641 19.0722 19.0778 k = 0.0000 0.0000 0.3988 ( 4086 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.2001 -10.2000 -6.0350 -6.0346 -4.9608 -4.9605 -4.7688 -4.7684 -1.7318 -1.7316 0.3664 0.3667 1.9456 1.9472 3.6754 3.6787 3.7008 3.7025 5.5571 5.5597 6.9707 6.9744 7.0358 7.0362 7.3603 7.3649 8.5645 8.5707 8.7349 8.7410 9.7155 9.7162 16.3021 16.3039 18.0992 18.0992 18.2683 18.2703 19.0771 19.0830 k = 0.0000 0.0000 0.4125 ( 4090 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.1536 -10.1535 -6.1044 -6.1041 -4.9886 -4.9882 -4.7900 -4.7896 -1.6842 -1.6839 0.3137 0.3140 1.9582 1.9598 3.6468 3.6500 3.7410 3.7428 5.6455 5.6481 6.9816 6.9825 7.0342 7.0378 7.4148 7.4193 8.5430 8.5471 8.6932 8.6973 9.6956 9.6963 16.3878 16.3896 18.1292 18.1292 18.2716 18.2735 19.0805 19.0866 k = 0.0000 0.0000 0.4263 ( 4090 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.1057 -10.1057 -6.1740 -6.1736 -5.0158 -5.0155 -4.8118 -4.8114 -1.6375 -1.6372 0.2623 0.2626 1.9712 1.9729 3.6220 3.6253 3.7783 3.7801 5.7323 5.7349 6.9224 6.9235 7.0973 7.1011 7.4693 7.4739 8.5017 8.5024 8.6824 8.6834 9.6758 9.6766 16.4712 16.4730 18.1611 18.1611 18.2720 18.2736 19.0824 19.0886 k = 0.0000 0.0000 0.4400 ( 4082 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.0565 -10.0564 -6.2437 -6.2433 -5.0426 -5.0422 -4.8342 -4.8338 -1.5918 -1.5915 0.2121 0.2124 1.9845 1.9862 3.6016 3.6050 3.8121 3.8138 5.8172 5.8198 6.8592 6.8608 7.1601 7.1639 7.5238 7.5283 8.4449 8.4463 8.6929 8.6938 9.6563 9.6573 16.5522 16.5541 18.1951 18.1952 18.2695 18.2710 19.0829 19.0893 k = 0.0000 0.0000 0.4538 ( 4090 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -10.0060 -10.0059 -6.3135 -6.3131 -5.0687 -5.0683 -4.8571 -4.8567 -1.5470 -1.5468 0.1631 0.1634 1.9978 1.9996 3.5861 3.5895 3.8419 3.8435 5.8997 5.9023 6.7935 6.7954 7.2219 7.2257 7.5780 7.5825 8.3844 8.3871 8.7152 8.7171 9.6374 9.6385 16.6307 16.6326 18.2312 18.2314 18.2644 18.2657 19.0823 19.0888 k = 0.0000 0.0000 0.4675 ( 4086 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -9.9541 -9.9541 -6.3834 -6.3830 -5.0941 -5.0938 -4.8805 -4.8801 -1.5033 -1.5030 0.1155 0.1157 2.0112 2.0131 3.5756 3.5792 3.8672 3.8687 5.9791 5.9817 6.7263 6.7286 7.2822 7.2859 7.6322 7.6366 8.3259 8.3293 8.7448 8.7471 9.6192 9.6203 16.7065 16.7083 18.2559 18.2578 18.2699 18.2705 19.0806 19.0872 k = 0.0000 0.0000 0.4813 ( 4090 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -9.9011 -9.9010 -6.4535 -6.4531 -5.1188 -5.1185 -4.9043 -4.9039 -1.4606 -1.4603 0.0691 0.0693 2.0247 2.0265 3.5706 3.5742 3.8875 3.8890 6.0548 6.0574 6.6587 6.6612 7.3402 7.3438 7.6863 7.6905 8.2717 8.2756 8.7790 8.7816 9.6018 9.6031 16.7795 16.7813 18.2463 18.2476 18.3107 18.3109 19.0780 19.0846 k = 0.0000 0.0000 0.4951 ( 4086 PWs) bands (ev): -86.9418 -86.9418 -86.9400 -86.9400 -9.8467 -9.8466 -6.5237 -6.5234 -5.1428 -5.1424 -4.9283 -4.9279 -1.4188 -1.4186 0.0240 0.0242 2.0381 2.0400 3.5710 3.5747 3.9025 3.9038 6.1262 6.1288 6.5913 6.5942 7.3951 7.3986 7.7406 7.7446 8.2234 8.2277 8.8162 8.8190 9.5854 9.5869 16.8495 16.8513 18.2340 18.2352 18.3539 18.3540 19.0747 19.0814 k = 0.0000 0.0000 0.5088 ( 4098 PWs) bands (ev): -86.9418 -86.9418 -86.9400 -86.9400 -9.7912 -9.7911 -6.5941 -6.5938 -5.1658 -5.1654 -4.9526 -4.9522 -1.3782 -1.3779 -0.0198 -0.0196 2.0516 2.0535 3.5771 3.5807 3.9117 3.9129 6.1926 6.1951 6.5248 6.5281 7.4461 7.4493 7.7954 7.7991 8.1823 8.1870 8.8555 8.8583 9.5703 9.5718 16.9165 16.9183 18.2197 18.2207 18.3995 18.3996 19.0708 19.0776 k = 0.0000 0.0000 0.5226 ( 4102 PWs) bands (ev): -86.9418 -86.9418 -86.9400 -86.9400 -9.7344 -9.7343 -6.6647 -6.6644 -5.1880 -5.1876 -4.9769 -4.9766 -1.3386 -1.3383 -0.0623 -0.0621 2.0653 2.0672 3.5887 3.5924 3.9146 3.9157 6.2528 6.2553 6.4603 6.4639 7.4922 7.4952 7.8511 7.8544 8.1496 8.1545 8.8959 8.8988 9.5564 9.5581 16.9804 16.9822 18.2035 18.2044 18.4474 18.4476 19.0664 19.0733 k = 0.0000 0.0000 0.5363 ( 4102 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.6766 -9.6765 -6.7355 -6.7351 -5.2092 -5.2088 -5.0013 -5.0010 -1.3001 -1.2998 -0.1035 -0.1033 2.0794 2.0813 3.6059 3.6096 3.9112 3.9122 6.3030 6.3051 6.4016 6.4051 7.5328 7.5354 7.9078 7.9106 8.1261 8.1311 8.9369 8.9398 9.5441 9.5459 17.0412 17.0429 18.1855 18.1863 18.4976 18.4979 19.0618 19.0688 k = 0.0000 0.0000 0.5501 ( 4108 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.6176 -9.6175 -6.8065 -6.8062 -5.2294 -5.2290 -5.0257 -5.0253 -1.2627 -1.2624 -0.1434 -0.1432 2.0941 2.0959 3.6285 3.6322 3.9011 3.9020 6.3079 6.3100 6.3849 6.3853 7.5672 7.5695 7.9657 7.9680 8.1123 8.1175 8.9780 8.9809 9.5333 9.5353 17.0988 17.1004 18.1659 18.1666 18.5499 18.5502 19.0570 19.0641 k = 0.0000 0.0000 0.5638 ( 4108 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5575 -9.5574 -6.8777 -6.8774 -5.2485 -5.2481 -5.0499 -5.0495 -1.2264 -1.2261 -0.1820 -0.1818 2.1096 2.1114 3.6562 3.6599 3.8844 3.8851 6.2538 6.2577 6.4192 6.4211 7.5951 7.5970 8.0245 8.0263 8.1087 8.1140 9.0188 9.0216 9.5241 9.5263 17.1532 17.1548 18.1448 18.1455 18.6040 18.6044 19.0522 19.0593 k = 0.0000 0.0000 0.5776 ( 4108 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4964 -9.4962 -6.9491 -6.9488 -5.2665 -5.2662 -5.0738 -5.0734 -1.1913 -1.1910 -0.2194 -0.2192 2.1262 2.1280 3.6890 3.6927 3.8611 3.8617 6.1918 6.1961 6.4583 6.4605 7.6163 7.6178 8.0841 8.0854 8.1151 8.1203 9.0588 9.0616 9.5165 9.5189 17.2045 17.2060 18.1224 18.1230 18.6597 18.6602 19.0475 19.0547 k = 0.0000 0.0000 0.5913 ( 4116 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4342 -9.4341 -7.0208 -7.0205 -5.2835 -5.2831 -5.0974 -5.0970 -1.1573 -1.1570 -0.2555 -0.2554 2.1443 2.1460 3.7264 3.7301 3.8314 3.8318 6.1278 6.1323 6.4954 6.4976 7.6309 7.6321 8.1306 8.1359 8.1441 8.1450 9.0978 9.1005 9.5105 9.5130 17.2527 17.2541 18.0988 18.0993 18.7164 18.7171 19.0430 19.0503 k = 0.0000 0.0000 0.6051 ( 4112 PWs) bands (ev): -86.9416 -86.9416 -86.9403 -86.9403 -9.3711 -9.3710 -7.0926 -7.0924 -5.2992 -5.2988 -5.1206 -5.1202 -1.1244 -1.1241 -0.2904 -0.2903 2.1640 2.1656 3.7682 3.7719 3.7958 3.7959 6.0623 6.0670 6.5304 6.5326 7.6390 7.6399 8.1549 8.1602 8.2037 8.2042 9.1355 9.1382 9.5060 9.5087 17.2977 17.2991 18.0741 18.0745 18.7737 18.7746 19.0388 19.0461 k = 0.0000 0.0000 0.6188 ( 4112 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3070 -9.3069 -7.1648 -7.1645 -5.3138 -5.3134 -5.1432 -5.1429 -1.0927 -1.0924 -0.3241 -0.3240 2.1856 2.1872 3.7541 3.7544 3.8145 3.8180 5.9953 6.0000 6.5640 6.5662 7.6409 7.6416 8.1865 8.1917 8.2626 8.2629 9.1717 9.1743 9.5029 9.5057 17.3398 17.3410 18.0485 18.0489 18.8306 18.8318 19.0349 19.0423 k = 0.0000 0.0000 0.6326 ( 4104 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.2421 -9.2419 -7.2371 -7.2368 -5.3271 -5.3267 -5.1653 -5.1649 -1.0620 -1.0617 -0.3566 -0.3565 2.2094 2.2109 3.7076 3.7077 3.8644 3.8678 5.9265 5.9312 6.5973 6.5993 7.6370 7.6375 8.2242 8.2293 8.3203 8.3204 9.2062 9.2087 9.5009 9.5038 17.3789 17.3800 18.0223 18.0226 18.8862 18.8877 19.0315 19.0389 k = 0.0000 0.0000 0.6463 ( 4112 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.1763 -9.1761 -7.3096 -7.3094 -5.3391 -5.3388 -5.1867 -5.1863 -1.0325 -1.0322 -0.3880 -0.3879 2.2356 2.2371 3.6565 3.6565 3.9178 3.9213 5.8558 5.8605 6.6309 6.6328 7.6276 7.6280 8.2665 8.2714 8.3761 8.3764 9.2388 9.2413 9.4999 9.5029 17.4151 17.4161 17.9956 17.9959 18.9391 18.9410 19.0285 19.0360 k = 0.0000 0.0000 0.6601 ( 4112 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.1096 -9.1095 -7.3824 -7.3821 -5.3499 -5.3495 -5.2073 -5.2069 -1.0040 -1.0037 -0.4183 -0.4182 2.2644 2.2658 3.6013 3.6014 3.9746 3.9780 5.7832 5.7878 6.6655 6.6673 7.6131 7.6134 8.3120 8.3169 8.4297 8.4301 9.2695 9.2718 9.4995 9.5026 17.4485 17.4495 17.9686 17.9689 18.9875 18.9899 19.0261 19.0336 k = 0.0000 0.0000 0.6738 ( 4108 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.0422 -9.0421 -7.4553 -7.4551 -5.3594 -5.3590 -5.2271 -5.2267 -0.9765 -0.9762 -0.4475 -0.4475 2.2959 2.2973 3.5427 3.5429 4.0344 4.0378 5.7089 5.7134 6.7014 6.7031 7.5939 7.5941 8.3596 8.3643 8.4806 8.4811 9.2980 9.3002 9.4996 9.5028 17.4793 17.4801 17.9417 17.9419 19.0235 19.0300 19.0309 19.0331 k = 0.0000 0.0000 0.6876 ( 4112 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -8.9741 -8.9739 -7.5284 -7.5282 -5.3675 -5.3671 -5.2459 -5.2456 -0.9499 -0.9496 -0.4757 -0.4757 2.3302 2.3315 3.4813 3.4816 4.0970 4.1004 5.6329 5.6373 6.7389 6.7405 7.5704 7.5706 8.4080 8.4125 8.5284 8.5290 9.3244 9.3265 9.5000 9.5031 17.5074 17.5082 17.9149 17.9151 19.0225 19.0303 19.0629 19.0664 k = 0.0000 0.0000 0.7013 ( 4108 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -8.9052 -8.9051 -7.6017 -7.6015 -5.3743 -5.3739 -5.2639 -5.2635 -0.9242 -0.9239 -0.5030 -0.5030 2.3675 2.3687 3.4178 3.4181 4.1622 4.1656 5.5554 5.5597 6.7782 6.7796 7.5431 7.5432 8.4561 8.4604 8.5726 8.5731 9.3487 9.3506 9.5003 9.5034 17.5332 17.5339 17.8886 17.8887 19.0218 19.0295 19.0863 19.0906 k = 0.0000 0.0000 0.7151 ( 4104 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.8358 -8.8356 -7.6751 -7.6748 -5.3797 -5.3793 -5.2807 -5.2804 -0.8993 -0.8991 -0.5295 -0.5294 2.4076 2.4088 3.3526 3.3530 4.2298 4.2331 5.4767 5.4809 6.8190 6.8203 7.5122 7.5123 8.5029 8.5070 8.6127 8.6132 9.3707 9.3724 9.5004 9.5034 17.5567 17.5574 17.8630 17.8631 19.0216 19.0293 19.0998 19.1047 k = 0.0000 0.0000 0.7288 ( 4110 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.7657 -8.7656 -7.7486 -7.7483 -5.3837 -5.3834 -5.2965 -5.2962 -0.8752 -0.8749 -0.5551 -0.5550 2.4507 2.4518 3.2863 3.2868 4.2994 4.3028 5.3971 5.4012 6.8614 6.8626 7.4783 7.4783 8.5475 8.5514 8.6483 8.6487 9.3906 9.3921 9.5001 9.5030 17.5782 17.5788 17.8383 17.8384 19.0220 19.0298 19.1046 19.1102 k = 0.0000 0.0000 0.7426 ( 4102 PWs) bands (ev): -86.9412 -86.9412 -86.9407 -86.9407 -8.6951 -8.6949 -7.8221 -7.8219 -5.3864 -5.3860 -5.3112 -5.3108 -0.8516 -0.8514 -0.5799 -0.5798 2.4966 2.4977 3.2194 3.2199 4.3710 4.3744 5.3167 5.3207 6.9052 6.9062 7.4415 7.4416 8.5891 8.5928 8.6791 8.6793 9.4084 9.4096 9.4992 9.5019 17.5980 17.5985 17.8147 17.8147 19.0232 19.0310 19.1029 19.1089 k = 0.0000 0.0000 0.7563 ( 4102 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.6240 -8.6238 -7.8957 -7.8954 -5.3876 -5.3873 -5.3247 -5.3243 -0.8286 -0.8284 -0.6041 -0.6040 2.5454 2.5464 3.1522 3.1528 4.4444 4.4478 5.2358 5.2397 6.9501 6.9510 7.4024 7.4025 8.6271 8.6304 8.7045 8.7046 9.4242 9.4251 9.4976 9.5001 17.6162 17.6167 17.7922 17.7922 19.0252 19.0329 19.0967 19.1030 k = 0.0000 0.0000 0.7701 ( 4104 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.5524 -8.5523 -7.9692 -7.9690 -5.3875 -5.3871 -5.3369 -5.3366 -0.8060 -0.8058 -0.6276 -0.6275 2.5968 2.5978 3.0853 3.0859 4.5194 4.5228 5.1546 5.1585 6.9958 6.9966 7.3612 7.3614 8.6606 8.6636 8.7242 8.7244 9.4381 9.4387 9.4953 9.4975 17.6334 17.6337 17.7710 17.7710 19.0280 19.0357 19.0879 19.0945 k = 0.0000 0.0000 0.7838 ( 4108 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4805 -8.4803 -8.0427 -8.0425 -5.3860 -5.3856 -5.3479 -5.3476 -0.7838 -0.7836 -0.6507 -0.6506 2.6509 2.6518 3.0190 3.0197 4.5957 4.5991 5.0734 5.0771 7.0422 7.0429 7.3183 7.3186 8.6892 8.6919 8.7378 8.7383 9.4502 9.4505 9.4921 9.4941 17.6497 17.6500 17.7510 17.7511 19.0319 19.0395 19.0780 19.0849 k = 0.0000 0.0000 0.7976 ( 4114 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4081 -8.4079 -8.1162 -8.1160 -5.3830 -5.3827 -5.3576 -5.3573 -0.7617 -0.7615 -0.6733 -0.6732 2.7074 2.7083 2.9536 2.9543 4.6733 4.6767 4.9923 4.9960 7.0890 7.0896 7.2740 7.2743 8.7125 8.7148 8.7453 8.7461 9.4607 9.4608 9.4880 9.4896 17.6657 17.6659 17.7323 17.7324 19.0368 19.0444 19.0680 19.0751 k = 0.0000 0.0000 0.8113 ( 4110 PWs) bands (ev): -86.9410 -86.9410 -86.9409 -86.9409 -8.3355 -8.3353 -8.1895 -8.1893 -5.3787 -5.3784 -5.3660 -5.3656 -0.7397 -0.7395 -0.6956 -0.6955 2.7661 2.7670 2.8895 2.8902 4.7519 4.7554 4.9116 4.9152 7.1358 7.1364 7.2286 7.2290 8.7299 8.7319 8.7465 8.7477 9.4694 9.4699 9.4829 9.4842 17.6816 17.6818 17.7146 17.7147 19.0429 19.0504 19.0586 19.0659 k = 0.0000 0.0000 0.8251 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2626 -8.2626 -8.2624 -8.2624 -5.3731 -5.3731 -5.3727 -5.3727 -0.7177 -0.7177 -0.7176 -0.7176 2.8269 2.8269 2.8277 2.8277 4.8314 4.8314 4.8349 4.8349 7.1825 7.1825 7.1829 7.1829 8.7413 8.7413 8.7429 8.7429 9.4768 9.4768 9.4776 9.4776 17.6978 17.6978 17.6979 17.6979 19.0502 19.0502 19.0576 19.0576 k = 0.0000 0.0000 0.8251 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2626 -8.2626 -8.2624 -8.2624 -5.3731 -5.3731 -5.3727 -5.3727 -0.7177 -0.7177 -0.7176 -0.7176 2.8269 2.8269 2.8277 2.8277 4.8314 4.8314 4.8349 4.8349 7.1825 7.1825 7.1829 7.1829 8.7413 8.7413 8.7429 8.7429 9.4768 9.4768 9.4776 9.4776 17.6978 17.6978 17.6979 17.6979 19.0502 19.0502 19.0576 19.0576 k =-0.0081 0.0106 0.8251 ( 4110 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2629 -8.2629 -8.2627 -8.2627 -5.3733 -5.3733 -5.3730 -5.3730 -0.7155 -0.7155 -0.7153 -0.7153 2.8272 2.8272 2.8280 2.8280 4.8315 4.8315 4.8351 4.8351 7.1796 7.1796 7.1800 7.1800 8.7409 8.7409 8.7425 8.7425 9.4768 9.4768 9.4777 9.4777 17.6999 17.6999 17.7002 17.7002 19.0472 19.0472 19.0546 19.0546 k =-0.0161 0.0212 0.8251 ( 4110 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2639 -8.2639 -8.2637 -8.2637 -5.3742 -5.3742 -5.3738 -5.3738 -0.7088 -0.7088 -0.7086 -0.7086 2.8280 2.8280 2.8288 2.8288 4.8319 4.8319 4.8355 4.8355 7.1708 7.1708 7.1713 7.1713 8.7395 8.7395 8.7412 8.7412 9.4768 9.4768 9.4778 9.4778 17.7064 17.7064 17.7069 17.7069 19.0384 19.0384 19.0457 19.0457 k =-0.0242 0.0317 0.8251 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2656 -8.2656 -8.2654 -8.2654 -5.3756 -5.3756 -5.3752 -5.3752 -0.6976 -0.6976 -0.6974 -0.6974 2.8293 2.8293 2.8301 2.8301 4.8326 4.8326 4.8362 4.8362 7.1563 7.1563 7.1569 7.1569 8.7373 8.7373 8.7391 8.7391 9.4769 9.4769 9.4779 9.4779 17.7171 17.7171 17.7179 17.7179 19.0239 19.0239 19.0311 19.0311 k =-0.0322 0.0423 0.8251 ( 4102 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2680 -8.2680 -8.2678 -8.2678 -5.3775 -5.3775 -5.3771 -5.3771 -0.6820 -0.6820 -0.6819 -0.6819 2.8311 2.8311 2.8319 2.8319 4.8336 4.8336 4.8372 4.8372 7.1362 7.1362 7.1369 7.1369 8.7342 8.7342 8.7361 8.7361 9.4769 9.4769 9.4781 9.4781 17.7318 17.7318 17.7327 17.7328 19.0041 19.0041 19.0112 19.0112 k =-0.0403 0.0529 0.8251 ( 4100 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2710 -8.2710 -8.2708 -8.2708 -5.3799 -5.3799 -5.3795 -5.3795 -0.6621 -0.6621 -0.6620 -0.6620 2.8334 2.8334 2.8343 2.8343 4.8348 4.8348 4.8385 4.8385 7.1108 7.1108 7.1116 7.1116 8.7301 8.7301 8.7322 8.7322 9.4769 9.4769 9.4782 9.4782 17.7498 17.7498 17.7511 17.7511 18.9795 18.9795 18.9865 18.9865 k =-0.0484 0.0635 0.8251 ( 4100 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2748 -8.2748 -8.2746 -8.2746 -5.3826 -5.3826 -5.3822 -5.3822 -0.6381 -0.6381 -0.6379 -0.6379 2.8362 2.8362 2.8371 2.8371 4.8363 4.8363 4.8400 4.8400 7.0803 7.0803 7.0812 7.0812 8.7251 8.7251 8.7275 8.7275 9.4768 9.4768 9.4782 9.4782 17.7708 17.7708 17.7723 17.7723 18.9509 18.9509 18.9577 18.9577 k =-0.0564 0.0741 0.8251 ( 4100 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2792 -8.2792 -8.2790 -8.2790 -5.3856 -5.3856 -5.3852 -5.3852 -0.6100 -0.6100 -0.6098 -0.6098 2.8395 2.8395 2.8404 2.8404 4.8380 4.8380 4.8417 4.8417 7.0451 7.0451 7.0461 7.0461 8.7192 8.7192 8.7217 8.7217 9.4766 9.4766 9.4782 9.4782 17.7938 17.7939 17.7956 17.7956 18.9190 18.9190 18.9256 18.9256 k =-0.0645 0.0846 0.8251 ( 4108 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2843 -8.2843 -8.2841 -8.2841 -5.3887 -5.3887 -5.3883 -5.3883 -0.5779 -0.5779 -0.5778 -0.5778 2.8432 2.8432 2.8441 2.8441 4.8399 4.8399 4.8437 4.8437 7.0055 7.0055 7.0066 7.0066 8.7124 8.7124 8.7151 8.7151 9.4762 9.4762 9.4779 9.4779 17.8179 17.8179 17.8199 17.8199 18.8850 18.8850 18.8914 18.8914 k =-0.0725 0.0952 0.8251 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2902 -8.2902 -8.2900 -8.2900 -5.3920 -5.3920 -5.3916 -5.3916 -0.5421 -0.5421 -0.5420 -0.5420 2.8473 2.8473 2.8483 2.8483 4.8419 4.8419 4.8458 4.8458 6.9619 6.9619 6.9632 6.9632 8.7046 8.7046 8.7075 8.7075 9.4755 9.4755 9.4773 9.4773 17.8418 17.8418 17.8440 17.8440 18.8503 18.8503 18.8565 18.8565 k =-0.0806 0.1058 0.8251 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2967 -8.2967 -8.2965 -8.2965 -5.3953 -5.3953 -5.3948 -5.3948 -0.5028 -0.5028 -0.5026 -0.5026 2.8517 2.8517 2.8528 2.8528 4.8441 4.8441 4.8481 4.8481 6.9148 6.9148 6.9162 6.9162 8.6959 8.6959 8.6990 8.6990 9.4745 9.4745 9.4765 9.4765 17.8637 17.8637 17.8661 17.8661 18.8165 18.8165 18.8224 18.8224 k =-0.0887 0.1164 0.8251 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3040 -8.3040 -8.3038 -8.3038 -5.3983 -5.3983 -5.3979 -5.3979 -0.4601 -0.4601 -0.4599 -0.4599 2.8565 2.8565 2.8576 2.8576 4.8465 4.8465 4.8505 4.8505 6.8646 6.8646 6.8661 6.8661 8.6862 8.6862 8.6895 8.6895 9.4731 9.4731 9.4753 9.4753 17.8817 17.8817 17.8843 17.8843 18.7855 18.7855 18.7912 18.7912 k =-0.0967 0.1270 0.8251 ( 4102 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3119 -8.3119 -8.3117 -8.3117 -5.4012 -5.4012 -5.4007 -5.4007 -0.4142 -0.4142 -0.4140 -0.4140 2.8616 2.8616 2.8627 2.8627 4.8489 4.8489 4.8530 4.8530 6.8117 6.8117 6.8133 6.8133 8.6757 8.6757 8.6791 8.6791 9.4714 9.4714 9.4737 9.4737 17.8934 17.8934 17.8962 17.8962 18.7597 18.7597 18.7650 18.7650 k =-0.1048 0.1375 0.8251 ( 4102 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3206 -8.3206 -8.3204 -8.3204 -5.4036 -5.4036 -5.4032 -5.4032 -0.3654 -0.3654 -0.3652 -0.3652 2.8669 2.8669 2.8681 2.8681 4.8513 4.8513 4.8555 4.8555 6.7567 6.7567 6.7584 6.7584 8.6642 8.6642 8.6678 8.6678 9.4692 9.4692 9.4716 9.4716 17.8965 17.8965 17.8995 17.8995 18.7412 18.7412 18.7463 18.7463 k =-0.1128 0.1481 0.8251 ( 4098 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3300 -8.3300 -8.3298 -8.3298 -5.4056 -5.4056 -5.4051 -5.4051 -0.3140 -0.3140 -0.3138 -0.3138 2.8724 2.8724 2.8737 2.8737 4.8537 4.8537 4.8580 4.8580 6.7000 6.7000 6.7018 6.7018 8.6519 8.6519 8.6557 8.6557 9.4665 9.4665 9.4690 9.4690 17.8889 17.8889 17.8919 17.8919 18.7322 18.7322 18.7368 18.7368 k =-0.1209 0.1587 0.8251 ( 4098 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3401 -8.3401 -8.3399 -8.3399 -5.4069 -5.4069 -5.4065 -5.4065 -0.2601 -0.2601 -0.2599 -0.2599 2.8780 2.8780 2.8794 2.8794 4.8560 4.8560 4.8604 4.8604 6.6421 6.6421 6.6441 6.6441 8.6387 8.6387 8.6426 8.6426 9.4632 9.4632 9.4659 9.4659 17.8692 17.8692 17.8722 17.8722 18.7334 18.7334 18.7377 18.7377 k =-0.1290 0.1693 0.8251 ( 4100 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3509 -8.3509 -8.3507 -8.3507 -5.4076 -5.4076 -5.4071 -5.4071 -0.2041 -0.2041 -0.2039 -0.2039 2.8838 2.8838 2.8852 2.8852 4.8581 4.8581 4.8627 4.8627 6.5836 6.5836 6.5857 6.5857 8.6247 8.6247 8.6287 8.6287 9.4595 9.4595 9.4622 9.4622 17.8374 17.8374 17.8404 17.8404 18.7450 18.7450 18.7489 18.7489 k =-0.1370 0.1799 0.8251 ( 4088 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3624 -8.3624 -8.3622 -8.3622 -5.4074 -5.4074 -5.4069 -5.4069 -0.1462 -0.1462 -0.1460 -0.1460 2.8896 2.8896 2.8911 2.8911 4.8600 4.8600 4.8647 4.8647 6.5250 6.5250 6.5273 6.5273 8.6099 8.6099 8.6141 8.6141 9.4552 9.4552 9.4580 9.4580 17.7942 17.7942 17.7972 17.7972 18.7657 18.7657 18.7691 18.7691 k =-0.1451 0.1905 0.8251 ( 4096 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3745 -8.3745 -8.3743 -8.3743 -5.4063 -5.4063 -5.4058 -5.4058 -0.0868 -0.0868 -0.0866 -0.0866 2.8955 2.8955 2.8971 2.8971 4.8616 4.8616 4.8664 4.8664 6.4669 6.4669 6.4692 6.4692 8.5943 8.5943 8.5986 8.5986 9.4503 9.4503 9.4532 9.4532 17.7411 17.7411 17.7441 17.7441 18.7935 18.7935 18.7967 18.7967 k =-0.1451 0.1905 0.8251 ( 4096 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3745 -8.3745 -8.3743 -8.3743 -5.4063 -5.4063 -5.4058 -5.4058 -0.0868 -0.0868 -0.0866 -0.0866 2.8955 2.8955 2.8971 2.8971 4.8616 4.8616 4.8664 4.8664 6.4669 6.4669 6.4692 6.4692 8.5943 8.5943 8.5986 8.5986 9.4503 9.4503 9.4532 9.4532 17.7411 17.7411 17.7441 17.7441 18.7935 18.7935 18.7967 18.7967 k =-0.1510 0.1982 0.8153 ( 4094 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4235 -8.4234 -8.3442 -8.3440 -5.4228 -5.4225 -5.3860 -5.3857 -0.0644 -0.0642 -0.0205 -0.0203 2.8655 2.8670 2.9348 2.9363 4.8154 4.8197 4.9101 4.9145 6.3989 6.4009 6.4515 6.4535 8.5620 8.5648 8.6015 8.6040 9.4310 9.4324 9.4631 9.4647 17.6547 17.6565 17.7409 17.7429 18.8029 18.8058 18.8327 18.8357 k =-0.1569 0.2060 0.8056 ( 4096 PWs) bands (ev): -86.9410 -86.9410 -86.9409 -86.9409 -8.4713 -8.4711 -8.3160 -8.3158 -5.4394 -5.4391 -5.3631 -5.3627 -0.0428 -0.0425 0.0470 0.0472 2.8377 2.8393 2.9729 2.9744 4.7708 4.7751 4.9560 4.9604 6.3339 6.3360 6.4353 6.4374 8.5244 8.5273 8.6054 8.6079 9.4096 9.4110 9.4760 9.4777 17.5611 17.5627 17.7417 17.7437 18.8153 18.8180 18.8738 18.8766 k =-0.1628 0.2137 0.7958 ( 4090 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5177 -8.5175 -8.2898 -8.2896 -5.4560 -5.4557 -5.3373 -5.3370 -0.0221 -0.0218 0.1156 0.1159 2.8122 2.8139 3.0096 3.0111 4.7284 4.7326 4.9987 5.0033 6.2729 6.2750 6.4187 6.4207 8.4826 8.4855 8.6070 8.6094 9.3872 9.3884 9.4898 9.4916 17.4627 17.4641 17.7440 17.7460 18.8297 18.8324 18.9157 18.9185 k =-0.1687 0.2215 0.7860 ( 4092 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5627 -8.5626 -8.2657 -8.2656 -5.4726 -5.4723 -5.3090 -5.3086 -0.0027 -0.0024 0.1853 0.1856 2.7891 2.7909 3.0445 3.0460 4.6884 4.6925 5.0376 5.0422 6.2168 6.2188 6.4016 6.4037 8.4369 8.4399 8.6061 8.6083 9.3639 9.3650 9.5044 9.5061 17.3608 17.3621 17.7477 17.7497 18.8456 18.8481 18.9577 18.9604 k =-0.1747 0.2293 0.7763 ( 4096 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.6064 -8.6062 -8.2437 -8.2436 -5.4890 -5.4887 -5.2780 -5.2777 0.0152 0.0155 0.2559 0.2561 2.7685 2.7705 3.0771 3.0787 4.6511 4.6552 5.0718 5.0764 6.1664 6.1682 6.3841 6.3863 8.3878 8.3908 8.6025 8.6045 9.3401 9.3412 9.5195 9.5212 17.2566 17.2577 17.7528 17.7547 18.8621 18.8646 18.9991 19.0018 k =-0.1806 0.2370 0.7665 ( 4099 PWs) bands (ev): -86.9411 -86.9411 -86.9408 -86.9408 -8.6485 -8.6484 -8.2238 -8.2236 -5.5053 -5.5050 -5.2447 -5.2444 0.0314 0.0318 0.3272 0.3275 2.7505 2.7526 3.1071 3.1087 4.6169 4.6209 5.1005 5.1050 6.1226 6.1242 6.3664 6.3687 8.3358 8.3387 8.5961 8.5980 9.3162 9.3173 9.5352 9.5368 17.1511 17.1521 17.7592 17.7611 18.8790 18.8814 19.0395 19.0422 k =-0.1865 0.2448 0.7568 ( 4094 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.6892 -8.6891 -8.2058 -8.2056 -5.5214 -5.5211 -5.2092 -5.2088 0.0457 0.0462 0.3991 0.3994 2.7351 2.7373 3.1342 3.1358 4.5862 4.5902 5.1229 5.1273 6.0862 6.0875 6.3486 6.3510 8.2811 8.2840 8.5869 8.5887 9.2926 9.2936 9.5513 9.5529 17.0450 17.0459 17.7668 17.7687 18.8959 18.8982 19.0788 19.0815 k =-0.1924 0.2526 0.7470 ( 4100 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.7284 -8.7282 -8.1897 -8.1895 -5.5371 -5.5368 -5.1716 -5.1712 0.0580 0.0585 0.4714 0.4717 2.7222 2.7245 3.1578 3.1594 4.5594 4.5633 5.1383 5.1424 6.0576 6.0584 6.3311 6.3336 8.2242 8.2272 8.5748 8.5766 9.2694 9.2705 9.5677 9.5692 16.9390 16.9398 17.7755 17.7773 18.9126 18.9148 19.1169 19.1195 k =-0.1983 0.2603 0.7372 ( 4105 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.7660 -8.7658 -8.1754 -8.1752 -5.5526 -5.5523 -5.1323 -5.1319 0.0681 0.0687 0.5439 0.5442 2.7118 2.7142 3.1777 3.1793 4.5369 4.5407 5.1464 5.1502 6.0365 6.0370 6.3141 6.3169 8.1657 8.1686 8.5600 8.5617 9.2471 9.2482 9.5844 9.5858 16.8337 16.8344 17.7850 17.7868 18.9289 18.9311 19.1537 19.1563 k =-0.2042 0.2681 0.7275 ( 4105 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.8020 -8.8019 -8.1628 -8.1626 -5.5676 -5.5673 -5.0914 -5.0910 0.0760 0.0766 0.6165 0.6168 2.7038 2.7063 3.1936 3.1952 4.5190 4.5227 5.1474 5.1508 6.0220 6.0229 6.2984 6.3014 8.1058 8.1086 8.5426 8.5442 9.2258 9.2270 9.6012 9.6025 16.7296 16.7302 17.7952 17.7970 18.9449 18.9469 19.1895 19.1920 k =-0.2102 0.2759 0.7177 ( 4099 PWs) bands (ev): -86.9412 -86.9412 -86.9407 -86.9407 -8.8364 -8.8363 -8.1518 -8.1516 -5.5822 -5.5820 -5.0493 -5.0488 0.0816 0.0822 0.6889 0.6892 2.6981 2.7006 3.2052 3.2068 4.5060 4.5095 5.1418 5.1449 6.0127 6.0144 6.2847 6.2880 8.0449 8.0478 8.5228 8.5243 9.2057 9.2070 9.6180 9.6193 16.6272 16.6277 17.8060 17.8078 18.9605 18.9625 19.2243 19.2266 k =-0.2161 0.2836 0.7080 ( 4109 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.8692 -8.8691 -8.1423 -8.1421 -5.5964 -5.5961 -5.0062 -5.0058 0.0849 0.0855 0.7609 0.7612 2.6943 2.6969 3.2126 3.2141 4.4981 4.5015 5.1307 5.1333 6.0065 6.0090 6.2744 6.2778 7.9836 7.9864 8.5008 8.5024 9.1869 9.1883 9.6348 9.6360 16.5269 16.5273 17.8172 17.8189 18.9759 18.9778 19.2582 19.2605 k =-0.2220 0.2914 0.6982 ( 4107 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.9003 -8.9002 -8.1341 -8.1339 -5.6100 -5.6098 -4.9625 -4.9621 0.0859 0.0866 0.8322 0.8325 2.6924 2.6951 3.2158 3.2172 4.4954 4.4986 5.1153 5.1175 6.0009 6.0040 6.2686 6.2722 7.9222 7.9250 8.4771 8.4786 9.1694 9.1710 9.6515 9.6527 16.4292 16.4295 17.8285 17.8302 18.9914 18.9931 19.2914 19.2935 k =-0.2279 0.2992 0.6884 ( 4110 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.9298 -8.9297 -8.1271 -8.1269 -5.6231 -5.6228 -4.9186 -4.9181 0.0848 0.0856 0.9027 0.9030 2.6919 2.6946 3.2150 3.2164 4.4976 4.5007 5.0967 5.0985 5.9932 5.9969 6.2688 6.2724 7.8610 7.8638 8.4521 8.4536 9.1533 9.1550 9.6680 9.6691 16.3344 16.3348 17.8398 17.8415 19.0070 19.0086 19.3239 19.3259 k =-0.2338 0.3069 0.6787 ( 4108 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.9575 -8.9574 -8.1213 -8.1211 -5.6356 -5.6353 -4.8747 -4.8742 0.0817 0.0826 0.9720 0.9723 2.6926 2.6954 3.2107 3.2120 4.5047 4.5077 5.0762 5.0776 5.9819 5.9858 6.2755 6.2789 7.8006 7.8034 8.4261 8.4276 9.1384 9.1402 9.6842 9.6852 16.2431 16.2434 17.8509 17.8526 19.0230 19.0246 19.3557 19.3576 k =-0.2397 0.3147 0.6689 ( 4107 PWs) bands (ev): -86.9413 -86.9413 -86.9406 -86.9406 -8.9836 -8.9835 -8.1164 -8.1162 -5.6474 -5.6472 -4.8312 -4.8307 0.0769 0.0778 1.0398 1.0401 2.6941 2.6969 3.2035 3.2046 4.5162 4.5191 5.0547 5.0558 5.9660 5.9700 6.2884 6.2913 7.7412 7.7440 8.3997 8.4012 9.1248 9.1267 9.7000 9.7009 16.1554 16.1557 17.8617 17.8633 19.0398 19.0413 19.3867 19.3886 k =-0.2456 0.3225 0.6591 ( 4110 PWs) bands (ev): -86.9413 -86.9413 -86.9406 -86.9406 -9.0079 -9.0078 -8.1124 -8.1122 -5.6586 -5.6584 -4.7885 -4.7880 0.0704 0.0714 1.1059 1.1062 2.6960 2.6988 3.1938 3.1949 4.5318 4.5346 5.0330 5.0338 5.9457 5.9496 6.3064 6.3087 7.6833 7.6860 8.3733 8.3748 9.1124 9.1143 9.7154 9.7162 16.0719 16.0722 17.8719 17.8735 19.0574 19.0589 19.4170 19.4187 k =-0.2516 0.3302 0.6494 ( 4104 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.0305 -9.0304 -8.1091 -8.1090 -5.6691 -5.6688 -4.7470 -4.7465 0.0626 0.0637 1.1699 1.1702 2.6980 2.7007 3.1825 3.1835 4.5508 4.5535 5.0116 5.0122 5.9217 5.9254 6.3280 6.3298 7.6272 7.6299 8.3473 8.3488 9.1010 9.1030 9.7301 9.7309 15.9929 15.9932 17.8816 17.8831 19.0763 19.0777 19.4462 19.4479 k =-0.2575 0.3380 0.6396 ( 4104 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.0513 -9.0512 -8.1066 -8.1064 -5.6788 -5.6786 -4.7070 -4.7065 0.0539 0.0549 1.2314 1.2317 2.6996 2.7022 3.1702 3.1711 4.5727 4.5754 4.9912 4.9916 5.8948 5.8983 6.3519 6.3533 7.5733 7.5761 8.3221 8.3236 9.0906 9.0926 9.7442 9.7449 15.9187 15.9191 17.8905 17.8920 19.0964 19.0979 19.4744 19.4761 k =-0.2634 0.3457 0.6299 ( 4106 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.0703 -9.0702 -8.1045 -8.1044 -5.6878 -5.6876 -4.6690 -4.6684 0.0444 0.0454 1.2900 1.2904 2.7006 2.7030 3.1576 3.1585 4.5969 4.5995 4.9720 4.9722 5.8658 5.8691 6.3770 6.3779 7.5221 7.5248 8.2981 8.2996 9.0812 9.0832 9.7576 9.7582 15.8496 15.8501 17.8986 17.9002 19.1180 19.1195 19.5013 19.5030 k =-0.2693 0.3535 0.6201 ( 4106 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.0876 -9.0875 -8.1030 -8.1028 -5.6960 -5.6958 -4.6332 -4.6326 0.0345 0.0356 1.3454 1.3457 2.7006 2.7029 3.1453 3.1463 4.6228 4.6253 4.9543 4.9544 5.8355 5.8386 6.4024 6.4029 7.4738 7.4765 8.2756 8.2771 9.0727 9.0748 9.7700 9.7706 15.7861 15.7866 17.9059 17.9074 19.1412 19.1427 19.5266 19.5284 k =-0.2752 0.3613 0.6103 ( 4110 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.1031 -9.1030 -8.1018 -8.1016 -5.7035 -5.7032 -4.6001 -4.5995 0.0245 0.0257 1.3970 1.3974 2.6995 2.7016 3.1337 3.1350 4.6495 4.6520 4.9382 4.9384 5.8047 5.8076 6.4272 6.4274 7.4290 7.4315 8.2549 8.2563 9.0650 9.0672 9.7815 9.7820 15.7283 15.7288 17.9124 17.9139 19.1660 19.1674 19.5502 19.5521 k =-0.2811 0.3690 0.6006 ( 4105 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.1167 -9.1167 -8.1009 -8.1007 -5.7100 -5.7098 -4.5699 -4.5693 0.0148 0.0160 1.4444 1.4448 2.6973 2.6992 3.1234 3.1250 4.6764 4.6788 4.9239 4.9242 5.7741 5.7769 6.4507 6.4509 7.3879 7.3904 8.2362 8.2376 9.0583 9.0605 9.7919 9.7924 15.6766 15.6772 17.9180 17.9194 19.1923 19.1938 19.5718 19.5737 k =-0.2871 0.3768 0.5908 ( 4107 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.1286 -9.1285 -8.1003 -8.1001 -5.7158 -5.7155 -4.5431 -4.5424 0.0056 0.0069 1.4871 1.4874 2.6941 2.6959 3.1145 3.1164 4.7025 4.7049 4.9116 4.9120 5.7447 5.7472 6.4724 6.4728 7.3510 7.3534 8.2196 8.2210 9.0524 9.0546 9.8011 9.8015 15.6313 15.6319 17.9227 17.9242 19.2201 19.2215 19.5910 19.5931 k =-0.2930 0.3846 0.5811 ( 4101 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.1387 -9.1386 -8.0999 -8.0997 -5.7207 -5.7204 -4.5198 -4.5192 -0.0027 -0.0014 1.5244 1.5248 2.6903 2.6919 3.1072 3.1093 4.7270 4.7293 4.9012 4.9017 5.7172 5.7195 6.4918 6.4924 7.3187 7.3210 8.2054 8.2067 9.0475 9.0496 9.8091 9.8095 15.5924 15.5931 17.9267 17.9281 19.2489 19.2503 19.6074 19.6095 k =-0.2989 0.3923 0.5713 ( 4101 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.1469 -9.1468 -8.0996 -8.0994 -5.7247 -5.7244 -4.5004 -4.4998 -0.0099 -0.0086 1.5560 1.5563 2.6863 2.6877 3.1015 3.1038 4.7489 4.7511 4.8930 4.8935 5.6928 5.6948 6.5086 6.5093 7.2915 7.2936 8.1936 8.1949 9.0434 9.0455 9.8158 9.8161 15.5604 15.5611 17.9298 17.9312 19.2784 19.2798 19.6197 19.6218 k =-0.3048 0.4001 0.5615 ( 4101 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.1533 -9.1532 -8.0994 -8.0992 -5.7278 -5.7276 -4.4851 -4.4844 -0.0157 -0.0144 1.5811 1.5815 2.6824 2.6837 3.0972 3.0997 4.7672 4.7692 4.8868 4.8873 5.6723 5.6742 6.5223 6.5229 7.2698 7.2717 8.1843 8.1857 9.0402 9.0423 9.8210 9.8213 15.5353 15.5360 17.9322 17.9336 19.3074 19.3088 19.6175 19.6182 k =-0.3107 0.4079 0.5518 ( 4099 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.1579 -9.1578 -8.0993 -8.0991 -5.7300 -5.7298 -4.4740 -4.4733 -0.0200 -0.0187 1.5995 1.5998 2.6792 2.6804 3.0942 3.0969 4.7809 4.7828 4.8826 4.8831 5.6568 5.6585 6.5324 6.5331 7.2540 7.2558 8.1777 8.1790 9.0379 9.0400 9.8248 9.8251 15.5173 15.5180 17.9339 17.9353 19.3340 19.3353 19.5902 19.5910 k =-0.3166 0.4156 0.5420 ( 4101 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.1606 -9.1605 -8.0993 -8.0991 -5.7314 -5.7312 -4.4673 -4.4666 -0.0226 -0.0213 1.6107 1.6110 2.6771 2.6782 3.0925 3.0953 4.7893 4.7911 4.8803 4.8808 5.6471 5.6486 6.5386 6.5393 7.2444 7.2460 8.1737 8.1750 9.0365 9.0387 9.8271 9.8273 15.5064 15.5071 17.9349 17.9363 19.3542 19.3555 19.5666 19.5674 k =-0.3225 0.4234 0.5323 ( 4102 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.1615 -9.1615 -8.0992 -8.0991 -5.7318 -5.7316 -4.4650 -4.4644 -0.0235 -0.0222 1.6145 1.6148 2.6764 2.6775 3.0920 3.0947 4.7922 4.7939 4.8796 4.8801 5.6438 5.6453 6.5407 6.5414 7.2411 7.2427 8.1724 8.1737 9.0360 9.0382 9.8279 9.8281 15.5028 15.5035 17.9353 17.9366 19.3621 19.3634 19.5573 19.5583 k =-0.3225 0.4234 0.5323 ( 4102 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.1615 -9.1615 -8.0992 -8.0991 -5.7318 -5.7316 -4.4650 -4.4644 -0.0235 -0.0222 1.6145 1.6148 2.6764 2.6775 3.0920 3.0947 4.7922 4.7939 4.8796 4.8801 5.6438 5.6453 6.5407 6.5414 7.2411 7.2427 8.1724 8.1737 9.0360 9.0382 9.8279 9.8281 15.5028 15.5035 17.9353 17.9366 19.3621 19.3634 19.5573 19.5583 k =-0.3166 0.4156 0.5224 ( 4102 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.1906 -9.1906 -8.0434 -8.0432 -5.7453 -5.7451 -4.4517 -4.4510 -0.0731 -0.0718 1.6052 1.6055 2.6335 2.6344 3.0864 3.0894 4.7393 4.7412 4.9479 4.9483 5.6851 5.6865 6.5017 6.5024 7.2668 7.2683 8.1328 8.1341 9.0553 9.0575 9.8336 9.8338 15.5481 15.5489 18.0345 18.0359 19.4189 19.4213 19.5895 19.5900 k =-0.3106 0.4077 0.5125 ( 4098 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.2217 -9.2216 -7.9859 -7.9857 -5.7553 -5.7550 -4.4385 -4.4378 -0.1245 -0.1232 1.5924 1.5927 2.5898 2.5906 3.0829 3.0860 4.6828 4.6847 5.0262 5.0266 5.7265 5.7279 6.4629 6.4637 7.2953 7.2967 8.0935 8.0947 9.0706 9.0728 9.8360 9.8362 15.5956 15.5964 18.1266 18.1279 19.4248 19.4280 19.6196 19.6197 k =-0.3046 0.3999 0.5027 ( 4098 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.2547 -9.2546 -7.9269 -7.9267 -5.7616 -5.7613 -4.4256 -4.4249 -0.1775 -0.1763 1.5764 1.5767 2.5456 2.5462 3.0813 3.0846 4.6278 4.6297 5.1085 5.1089 5.7680 5.7694 6.4249 6.4256 7.3264 7.3276 8.0546 8.0558 9.0819 9.0841 9.8353 9.8354 15.6451 15.6460 18.2103 18.2115 19.4056 19.4092 19.6453 19.6455 k =-0.2987 0.3920 0.4928 ( 4098 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.2896 -9.2895 -7.8663 -7.8661 -5.7644 -5.7641 -4.4130 -4.4123 -0.2322 -0.2310 1.5579 1.5582 2.5010 2.5015 3.0816 3.0850 4.5750 4.5769 5.1928 5.1932 5.8095 5.8108 6.3885 6.3892 7.3598 7.3608 8.0165 8.0175 9.0891 9.0913 9.8314 9.8315 15.6963 15.6972 18.2846 18.2856 19.3763 19.3801 19.6618 19.6622 k =-0.2927 0.3842 0.4830 ( 4096 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3261 -9.3260 -7.8043 -7.8040 -5.7637 -5.7635 -4.4007 -4.4000 -0.2884 -0.2872 1.5374 1.5377 2.4561 2.4565 3.0836 3.0871 4.5246 4.5266 5.2773 5.2776 5.8509 5.8521 6.3549 6.3557 7.3951 7.3958 7.9793 7.9802 9.0921 9.0943 9.8245 9.8247 15.7489 15.7499 18.3486 18.3494 19.3425 19.3464 19.6616 19.6620 k =-0.2867 0.3763 0.4731 ( 4100 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3643 -9.3642 -7.7407 -7.7405 -5.7597 -5.7594 -4.3889 -4.3881 -0.3459 -0.3448 1.5152 1.5155 2.4111 2.4113 3.0872 3.0907 4.4768 4.4788 5.3597 5.3601 5.8920 5.8931 6.3258 6.3266 7.4317 7.4321 7.9437 7.9443 9.0908 9.0931 9.8148 9.8150 15.8027 15.8038 18.4020 18.4026 19.3069 19.3110 19.6379 19.6382 k =-0.2807 0.3685 0.4633 ( 4096 PWs) bands (ev): -86.9416 -86.9416 -86.9403 -86.9403 -9.4040 -9.4039 -7.6757 -7.6754 -5.7524 -5.7521 -4.3774 -4.3767 -0.4048 -0.4037 1.4919 1.4922 2.3661 2.3663 3.0922 3.0958 4.4317 4.4337 5.4373 5.4378 5.9327 5.9337 6.3037 6.3045 7.4686 7.4687 7.9106 7.9108 9.0854 9.0877 9.8025 9.8026 15.8575 15.8587 18.4446 18.4451 19.2709 19.2750 19.5902 19.5904 k =-0.2748 0.3607 0.4534 ( 4090 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4450 -9.4449 -7.6092 -7.6090 -5.7420 -5.7417 -4.3665 -4.3657 -0.4647 -0.4637 1.4679 1.4681 2.3213 2.3214 3.0985 3.1022 4.3894 4.3913 5.5063 5.5068 5.9729 5.9739 6.2919 6.2928 7.5037 7.5044 7.8810 7.8815 9.0758 9.0781 9.7877 9.7879 15.9130 15.9142 18.4765 18.4769 19.2354 19.2396 19.5239 19.5244 k =-0.2688 0.3528 0.4435 ( 4090 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4873 -9.4872 -7.5414 -7.5412 -5.7286 -5.7283 -4.3560 -4.3552 -0.5257 -0.5247 1.4434 1.4436 2.2768 2.2769 3.1059 3.1096 4.3498 4.3518 5.5623 5.5628 6.0125 6.0134 6.2945 6.2954 7.5345 7.5362 7.8577 7.8590 9.0620 9.0643 9.7709 9.7711 15.9690 15.9703 18.4976 18.4978 19.2009 19.2052 19.4464 19.4470 k =-0.2628 0.3450 0.4337 ( 4094 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.5305 -9.5305 -7.4723 -7.4720 -5.7124 -5.7120 -4.3461 -4.3453 -0.5876 -0.5867 1.4189 1.4191 2.2329 2.2329 3.1143 3.1180 4.3131 4.3150 5.6010 5.6016 6.0514 6.0522 6.3153 6.3161 7.5567 7.5596 7.8451 7.8476 9.0441 9.0465 9.7522 9.7524 16.0252 16.0265 18.5075 18.5076 19.1680 19.1723 19.3637 19.3643 k =-0.2568 0.3371 0.4238 ( 4098 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5747 -9.5747 -7.4018 -7.4016 -5.6934 -5.6931 -4.3368 -4.3360 -0.6504 -0.6495 1.3947 1.3949 2.1896 2.1896 3.1234 3.1272 4.2792 4.2812 5.6205 5.6212 6.0894 6.0902 6.3560 6.3568 7.5653 7.5694 7.8482 7.8517 9.0222 9.0246 9.7320 9.7323 16.0815 16.0829 18.5048 18.5050 19.1368 19.1413 19.2812 19.2816 k =-0.2509 0.3293 0.4140 ( 4098 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.6197 -9.6196 -7.3301 -7.3299 -5.6720 -5.6717 -4.3281 -4.3272 -0.7139 -0.7130 1.3710 1.3711 2.1470 2.1470 3.1331 3.1369 4.2481 4.2501 5.6218 5.6225 6.1265 6.1272 6.4151 6.4159 7.5586 7.5634 7.8690 7.8733 8.9966 8.9991 9.7108 9.7111 16.1376 16.1391 18.4875 18.4878 19.1077 19.1122 19.2038 19.2039 k =-0.2449 0.3215 0.4041 ( 4094 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.6653 -9.6652 -7.2572 -7.2569 -5.6483 -5.6479 -4.3200 -4.3191 -0.7780 -0.7771 1.3481 1.3482 2.1053 2.1054 3.1433 3.1471 4.2200 4.2220 5.6082 5.6090 6.1625 6.1630 6.4891 6.4899 7.5390 7.5441 7.9049 7.9094 8.9674 8.9699 9.6889 9.6893 16.1935 16.1949 18.4529 18.4534 19.0806 19.0853 19.1362 19.1367 k =-0.2389 0.3136 0.3943 ( 4102 PWs) bands (ev): -86.9418 -86.9418 -86.9401 -86.9401 -9.7113 -9.7112 -7.1831 -7.1828 -5.6224 -5.6220 -4.3125 -4.3117 -0.8426 -0.8418 1.3262 1.3263 2.0646 2.0647 3.1537 3.1575 4.1947 4.1967 5.5836 5.5844 6.1972 6.1977 6.5738 6.5745 7.5107 7.5158 7.9512 7.9557 8.9350 8.9375 9.6668 9.6673 16.2488 16.2504 18.3985 18.3993 19.0556 19.0605 19.0825 19.0839 k =-0.2329 0.3058 0.3844 ( 4106 PWs) bands (ev): -86.9418 -86.9418 -86.9400 -86.9400 -9.7577 -9.7576 -7.1079 -7.1076 -5.5945 -5.5941 -4.3058 -4.3049 -0.9077 -0.9070 1.3056 1.3057 2.0251 2.0252 3.1641 3.1679 4.1723 4.1743 5.5511 5.5519 6.2307 6.2311 6.6654 6.6661 7.4768 7.4819 8.0044 8.0088 8.8997 8.9022 9.6449 9.6455 16.3036 16.3052 18.3240 18.3252 19.0324 19.0379 19.0449 19.0474 k =-0.2270 0.2979 0.3745 ( 4102 PWs) bands (ev): -86.9418 -86.9418 -86.9400 -86.9400 -9.8042 -9.8041 -7.0316 -7.0314 -5.5649 -5.5645 -4.2996 -4.2987 -0.9732 -0.9725 1.2864 1.2865 1.9868 1.9870 3.1744 3.1782 4.1526 4.1546 5.5131 5.5140 6.2628 6.2631 6.7612 6.7619 7.4391 7.4441 8.0624 8.0668 8.8619 8.8645 9.6238 9.6245 16.3577 16.3593 18.2314 18.2328 19.0117 19.0173 19.0225 19.0256 k =-0.2210 0.2901 0.3647 ( 4104 PWs) bands (ev): -86.9419 -86.9419 -86.9400 -86.9400 -9.8508 -9.8507 -6.9544 -6.9541 -5.5336 -5.5332 -4.2942 -4.2933 -1.0389 -1.0383 1.2688 1.2689 1.9499 1.9501 3.1844 3.1882 4.1357 4.1378 5.4713 5.4722 6.2934 6.2937 6.8589 6.8596 7.3987 7.4035 8.1240 8.1284 8.8223 8.8249 9.6038 9.6047 16.4109 16.4125 18.1240 18.1256 18.9936 18.9986 19.0130 19.0159 k =-0.2150 0.2823 0.3548 ( 4100 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -9.8973 -9.8973 -6.8761 -6.8758 -5.5010 -5.5005 -4.2895 -4.2886 -1.1049 -1.1043 1.2530 1.2530 1.9145 1.9147 3.1940 3.1977 4.1215 4.1236 5.4267 5.4277 6.3226 6.3227 6.9568 6.9575 7.3559 7.3607 8.1884 8.1927 8.7816 8.7842 9.5855 9.5865 16.4632 16.4648 18.0056 18.0073 18.9770 18.9816 19.0136 19.0166 k =-0.2091 0.2744 0.3450 ( 4092 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -9.9437 -9.9436 -6.7970 -6.7967 -5.4670 -5.4666 -4.2854 -4.2845 -1.1711 -1.1705 1.2391 1.2391 1.8806 1.8808 3.2028 3.2065 4.1100 4.1120 5.3802 5.3813 6.3502 6.3502 7.0532 7.0538 7.3111 7.3158 8.2550 8.2593 8.7408 8.7434 9.5692 9.5704 16.5143 16.5160 17.8791 17.8808 18.9615 18.9659 19.0221 19.0252 k =-0.2031 0.2666 0.3351 ( 4092 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -9.9897 -9.9896 -6.7170 -6.7167 -5.4320 -5.4316 -4.2820 -4.2811 -1.2373 -1.2368 1.2272 1.2273 1.8485 1.8487 3.2107 3.2145 4.1009 4.1030 5.3323 5.3334 6.3761 6.3762 7.1464 7.1470 7.2644 7.2691 8.3235 8.3279 8.7011 8.7037 9.5554 9.5568 16.5641 16.5658 17.7470 17.7487 18.9470 18.9512 19.0368 19.0400 k =-0.1971 0.2587 0.3253 ( 4088 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.0353 -10.0352 -6.6363 -6.6360 -5.3962 -5.3957 -4.2793 -4.2784 -1.3036 -1.3031 1.2175 1.2176 1.8180 1.8183 3.2176 3.2213 4.0943 4.0964 5.2833 5.2844 6.4005 6.4006 7.2156 7.2204 7.2349 7.2358 8.3935 8.3980 8.6639 8.6666 9.5444 9.5461 16.6120 16.6138 17.6114 17.6130 18.9331 18.9372 19.0565 19.0599 k =-0.1911 0.2509 0.3154 ( 4092 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.0803 -10.0802 -6.5549 -6.5545 -5.3595 -5.3591 -4.2772 -4.2763 -1.3699 -1.3695 1.2101 1.2103 1.7895 1.7897 3.2233 3.2270 4.0900 4.0921 5.2336 5.2347 6.4234 6.4236 7.1658 7.1704 7.3162 7.3168 8.4649 8.4695 8.6314 8.6340 9.5364 9.5384 16.6574 16.6592 17.4744 17.4759 18.9192 18.9231 19.0803 19.0838 k =-0.1852 0.2431 0.3056 ( 4088 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.1248 -10.1247 -6.4728 -6.4725 -5.3223 -5.3219 -4.2758 -4.2748 -1.4362 -1.4358 1.2051 1.2053 1.7629 1.7631 3.2275 3.2312 4.0878 4.0899 5.1833 5.1844 6.4447 6.4449 7.1142 7.1187 7.3882 7.3887 8.5373 8.5420 8.6058 8.6084 9.5318 9.5341 16.6984 16.7004 17.3387 17.3401 18.9049 18.9086 19.1075 19.1112 k =-0.1792 0.2352 0.2957 ( 4088 PWs) bands (ev): -86.9421 -86.9421 -86.9398 -86.9398 -10.1685 -10.1684 -6.3902 -6.3898 -5.2847 -5.2843 -4.2749 -4.2740 -1.5024 -1.5020 1.2026 1.2028 1.7383 1.7385 3.2301 3.2337 4.0877 4.0898 5.1325 5.1337 6.4645 6.4648 7.0612 7.0656 7.4482 7.4485 8.5897 8.5917 8.6113 8.6157 9.5307 9.5334 16.7311 16.7332 17.2093 17.2104 18.8894 18.8928 19.1377 19.1415 k =-0.1732 0.2274 0.2858 ( 4078 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.2115 -10.2114 -6.3071 -6.3067 -5.2469 -5.2464 -4.2747 -4.2738 -1.5684 -1.5681 1.2026 1.2029 1.7158 1.7160 3.2309 3.2345 4.0894 4.0915 5.0815 5.0827 6.4828 6.4833 7.0069 7.0113 7.4936 7.4938 8.5863 8.5884 8.6849 8.6899 9.5332 9.5362 16.7441 16.7465 17.0981 17.0988 18.8720 18.8750 19.1704 19.1743 k =-0.1672 0.2195 0.2760 ( 4078 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.2535 -10.2535 -6.2235 -6.2232 -5.2090 -5.2085 -4.2750 -4.2741 -1.6343 -1.6340 1.2053 1.2055 1.6954 1.6957 3.2298 3.2334 4.0928 4.0948 5.0302 5.0314 6.4997 6.5002 6.9518 6.9561 7.5224 7.5224 8.5972 8.5991 8.7594 8.7647 9.5393 9.5427 16.7133 16.7159 17.0297 17.0302 18.8519 18.8546 19.2052 19.2092 k =-0.1613 0.2117 0.2661 ( 4082 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.2947 -10.2946 -6.1397 -6.1393 -5.1711 -5.1706 -4.2759 -4.2750 -1.7000 -1.6998 1.2106 1.2109 1.6773 1.6776 3.2266 3.2301 4.0976 4.0996 4.9787 4.9800 6.5149 6.5155 6.8961 6.9004 7.5338 7.5341 8.6233 8.6250 8.8342 8.8398 9.5489 9.5528 16.6266 16.6290 17.0170 17.0176 18.8284 18.8306 19.2418 19.2459 k =-0.1553 0.2039 0.2563 ( 4086 PWs) bands (ev): -86.9422 -86.9422 -86.9397 -86.9397 -10.3348 -10.3347 -6.0556 -6.0553 -5.1334 -5.1329 -4.2773 -4.2763 -1.7655 -1.7653 1.2187 1.2190 1.6615 1.6618 3.2211 3.2246 4.1036 4.1056 4.9271 4.9284 6.5283 6.5291 6.8406 6.8448 7.5291 7.5296 8.6638 8.6653 8.9090 8.9149 9.5621 9.5664 16.5071 16.5093 17.0372 17.0379 18.8007 18.8025 19.2798 19.2840 k =-0.1493 0.1960 0.2464 ( 4098 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.3739 -10.3738 -5.9714 -5.9711 -5.0961 -5.0955 -4.2791 -4.2782 -1.8308 -1.8306 1.2295 1.2299 1.6481 1.6484 3.2132 3.2166 4.1105 4.1126 4.8754 4.8767 6.5393 6.5401 6.7861 6.7903 7.5104 7.5112 8.7167 8.7179 8.9837 8.9900 9.5785 9.5833 16.3751 16.3771 17.0705 17.0713 18.7684 18.7697 19.3191 19.3234 k =-0.1434 0.1882 0.2366 ( 4092 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.4118 -10.4117 -5.8872 -5.8868 -5.0592 -5.0586 -4.2813 -4.2804 -1.8958 -1.8956 1.2431 1.2435 1.6371 1.6374 3.2029 3.2062 4.1181 4.1202 4.8237 4.8250 6.5463 6.5473 6.7346 6.7388 7.4808 7.4818 8.7793 8.7803 9.0580 9.0647 9.5981 9.6035 16.2387 16.2406 17.1090 17.1099 18.7312 18.7319 19.3593 19.3636 k =-0.1374 0.1803 0.2267 ( 4080 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.4485 -10.4484 -5.8030 -5.8026 -5.0229 -5.0223 -4.2840 -4.2831 -1.9605 -1.9603 1.2595 1.2599 1.6285 1.6289 3.1899 3.1931 4.1261 4.1282 4.7721 4.7734 6.5458 6.5467 6.6904 6.6944 7.4430 7.4441 8.8490 8.8498 9.1316 9.1388 9.6206 9.6267 16.1015 16.1033 17.1497 17.1506 18.6893 18.6894 19.4002 19.4045 k =-0.1314 0.1725 0.2168 ( 4084 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.4840 -10.4839 -5.7190 -5.7186 -4.9873 -4.9867 -4.2870 -4.2861 -2.0249 -2.0247 1.2786 1.2791 1.6225 1.6228 3.1742 3.1774 4.1339 4.1361 4.7207 4.7220 6.5310 6.5313 6.6608 6.6641 7.3995 7.4008 8.9235 8.9241 9.2043 9.2121 9.6459 9.6526 15.9651 15.9668 17.1912 17.1921 18.6424 18.6428 19.4265 19.4296 k =-0.1254 0.1647 0.2070 ( 4080 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.5182 -10.5181 -5.6352 -5.6348 -4.9525 -4.9519 -4.2903 -4.2894 -2.0889 -2.0888 1.3005 1.3010 1.6189 1.6193 3.1557 3.1588 4.1413 4.1434 4.6698 4.6710 6.4979 6.4985 6.6496 6.6518 7.3524 7.3538 9.0009 9.0014 9.2757 9.2841 9.6737 9.6812 15.8306 15.8321 17.2328 17.2337 18.5917 18.5926 19.3817 19.3850 k =-0.1195 0.1568 0.1971 ( 4078 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.5510 -10.5510 -5.5519 -5.5515 -4.9186 -4.9180 -4.2940 -4.2931 -2.1525 -2.1525 1.3251 1.3256 1.6180 1.6183 3.1345 3.1375 4.1475 4.1496 4.6197 4.6209 6.4533 6.4545 6.6501 6.6516 7.3035 7.3049 9.0797 9.0801 9.3456 9.3546 9.7039 9.7121 15.6985 15.7000 17.2740 17.2749 18.5378 18.5392 19.3341 19.3375 k =-0.1135 0.1490 0.1873 ( 4074 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.5825 -10.5824 -5.4691 -5.4687 -4.8857 -4.8851 -4.2978 -4.2970 -2.2157 -2.2157 1.3522 1.3528 1.6196 1.6199 3.1105 3.1134 4.1517 4.1539 4.5711 4.5722 6.4046 6.4061 6.6559 6.6569 7.2539 7.2554 9.1589 9.1592 9.4134 9.4231 9.7361 9.7452 15.5696 15.5710 17.3145 17.3154 18.4818 18.4836 19.2821 19.2856 k =-0.1075 0.1411 0.1774 ( 4080 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.6126 -10.6125 -5.3870 -5.3866 -4.8540 -4.8534 -4.3019 -4.3010 -2.2785 -2.2785 1.3819 1.3825 1.6238 1.6241 3.0837 3.0866 4.1529 4.1552 4.5248 4.5258 6.3549 6.3566 6.6638 6.6645 7.2047 7.2063 9.2375 9.2377 9.4790 9.4894 9.7704 9.7803 15.4443 15.4456 17.3541 17.3550 18.4243 18.4264 19.2248 19.2284 k =-0.1015 0.1333 0.1676 ( 4088 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.6412 -10.6411 -5.3057 -5.3053 -4.8234 -4.8228 -4.3062 -4.3053 -2.3407 -2.3407 1.4139 1.4145 1.6305 1.6309 3.0543 3.0571 4.1497 4.1520 4.4821 4.4830 6.3060 6.3077 6.6727 6.6733 7.1568 7.1584 9.3148 9.3150 9.5417 9.5528 9.8066 9.8172 15.3230 15.3242 17.3926 17.3935 18.3662 18.3686 19.1626 19.1662 k =-0.0956 0.1254 0.1577 ( 4088 PWs) bands (ev): -86.9424 -86.9424 -86.9395 -86.9395 -10.6683 -10.6683 -5.2254 -5.2250 -4.7941 -4.7935 -4.3106 -4.3097 -2.4024 -2.4023 1.4482 1.4488 1.6398 1.6403 3.0223 3.0250 4.1402 4.1426 4.4448 4.4455 6.2585 6.2602 6.6820 6.6824 7.1109 7.1124 9.3902 9.3903 9.6013 9.6130 9.8445 9.8558 15.2061 15.2073 17.4298 17.4306 18.3081 18.3108 19.0965 19.1003 k =-0.0896 0.1176 0.1478 ( 4088 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.6940 -10.6939 -5.1463 -5.1459 -4.7661 -4.7655 -4.3151 -4.3143 -2.4633 -2.4633 1.4844 1.4851 1.6517 1.6521 2.9879 2.9904 4.1227 4.1252 4.4145 4.4151 6.2130 6.2146 6.6914 6.6917 7.0673 7.0688 9.4631 9.4631 9.6574 9.6694 9.8840 9.8958 15.0941 15.0952 17.4656 17.4664 18.2506 18.2535 19.0282 19.0320 k =-0.0836 0.1098 0.1380 ( 4093 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7180 -10.7180 -5.0686 -5.0682 -4.7394 -4.7388 -4.3197 -4.3189 -2.5235 -2.5234 1.5224 1.5231 1.6660 1.6664 2.9513 2.9537 4.0963 4.0988 4.3922 4.3927 6.1698 6.1713 6.7007 6.7010 7.0265 7.0280 9.5331 9.5332 9.7097 9.7217 9.9249 9.9369 14.9872 14.9883 17.4998 17.5005 18.1943 18.1974 18.9593 18.9631 k =-0.0776 0.1019 0.1281 ( 4097 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7406 -10.7405 -4.9925 -4.9921 -4.7142 -4.7136 -4.3244 -4.3236 -2.5827 -2.5827 1.5619 1.5626 1.6827 1.6831 2.9126 2.9150 4.0616 4.0641 4.3775 4.3779 6.1291 6.1305 6.7098 6.7100 6.9889 6.9902 9.5999 9.6000 9.7580 9.7697 9.9669 9.9787 14.8859 14.8869 17.5322 17.5329 18.1398 18.1430 18.8911 18.8949 k =-0.0717 0.0941 0.1183 ( 4101 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7615 -10.7615 -4.9183 -4.9180 -4.6905 -4.6899 -4.3290 -4.3282 -2.6409 -2.6408 1.6025 1.6032 1.7017 1.7021 2.8723 2.8745 4.0205 4.0228 4.3688 4.3691 6.0911 6.0925 6.7185 6.7187 6.9544 6.9557 9.6630 9.6632 9.8023 9.8134 10.0094 10.0207 14.7905 14.7914 17.5628 17.5635 18.0874 18.0906 18.8248 18.8286 k =-0.0657 0.0862 0.1084 ( 4097 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7809 -10.7808 -4.8464 -4.8460 -4.6684 -4.6678 -4.3337 -4.3329 -2.6977 -2.6975 1.6439 1.6446 1.7228 1.7233 2.8305 2.8326 3.9749 3.9770 4.3642 4.3646 6.0561 6.0573 6.7269 6.7271 6.9233 6.9245 9.7222 9.7225 9.8426 9.8530 10.0516 10.0621 14.7014 14.7022 17.5914 17.5920 18.0376 18.0408 18.7614 18.7651 k =-0.0597 0.0784 0.0986 ( 4099 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.7986 -10.7986 -4.7770 -4.7767 -4.6477 -4.6472 -4.3382 -4.3375 -2.7528 -2.7527 1.6855 1.6862 1.7458 1.7463 2.7878 2.7898 3.9268 3.9289 4.3624 4.3627 6.0239 6.0251 6.7349 6.7350 6.8955 6.8967 9.7772 9.7776 9.8792 9.8885 10.0928 10.1024 14.6187 14.6195 17.6179 17.6185 17.9907 17.9939 18.7016 18.7052 k =-0.0538 0.0706 0.0887 ( 4107 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8147 -10.8147 -4.7107 -4.7104 -4.6288 -4.6282 -4.3427 -4.3420 -2.8060 -2.8059 1.7269 1.7275 1.7705 1.7711 2.7445 2.7463 3.8780 3.8799 4.3621 4.3625 5.9948 5.9958 6.7423 6.7423 6.8711 6.8721 9.8277 9.8282 9.9122 9.9204 10.1323 10.1409 14.5429 14.5436 17.6422 17.6427 17.9472 17.9503 18.6461 18.6494 k =-0.0478 0.0627 0.0789 ( 4109 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8291 -10.8291 -4.6480 -4.6477 -4.6114 -4.6109 -4.3471 -4.3464 -2.8568 -2.8567 1.7673 1.7680 1.7966 1.7972 2.7011 2.7028 3.8297 3.8314 4.3628 4.3631 5.9687 5.9697 6.7491 6.7491 6.8498 6.8507 9.8735 9.8741 9.9417 9.9487 10.1693 10.1768 14.4743 14.4749 17.6642 17.6647 17.9074 17.9102 18.5953 18.5984 k =-0.0418 0.0549 0.0690 ( 4101 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8419 -10.8419 -4.5959 -4.5953 -4.5894 -4.5891 -4.3512 -4.3506 -2.9046 -2.9045 1.8061 1.8067 1.8237 1.8242 2.6584 2.6600 3.7832 3.7848 4.3639 4.3642 5.9457 5.9466 6.7552 6.7553 6.8316 6.8324 9.9143 9.9150 9.9679 9.9737 10.2033 10.2098 14.4130 14.4135 17.6839 17.6842 17.8714 17.8741 18.5496 18.5525 k =-0.0358 0.0470 0.0591 ( 4093 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8530 -10.8529 -4.5820 -4.5815 -4.5357 -4.5355 -4.3551 -4.3546 -2.9488 -2.9486 1.8425 1.8431 1.8511 1.8516 2.6170 2.6184 3.7397 3.7411 4.3652 4.3654 5.9259 5.9265 6.7607 6.7607 6.8162 6.8170 9.9500 9.9509 9.9908 9.9954 10.2337 10.2392 14.3594 14.3599 17.7010 17.7013 17.8398 17.8421 18.5095 18.5120 k =-0.0299 0.0392 0.0493 ( 4093 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8623 -10.8623 -4.5700 -4.5696 -4.4878 -4.4876 -4.3587 -4.3582 -2.9885 -2.9884 1.8755 1.8760 1.8780 1.8785 2.5779 2.5792 3.7003 3.7014 4.3664 4.3666 5.9090 5.9096 6.7654 6.7654 6.8037 6.8043 9.9802 9.9813 10.0105 10.0139 10.2601 10.2647 14.3137 14.3140 17.7157 17.7159 17.8126 17.8146 18.4751 18.4773 k =-0.0239 0.0314 0.0394 ( 4093 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8700 -10.8700 -4.5600 -4.5596 -4.4466 -4.4464 -4.3618 -4.3614 -3.0230 -3.0229 1.9034 1.9039 1.9044 1.9048 2.5424 2.5434 3.6660 3.6670 4.3675 4.3676 5.8953 5.8958 6.7692 6.7692 6.7937 6.7942 10.0046 10.0060 10.0272 10.0294 10.2823 10.2859 14.2759 14.2762 17.7277 17.7278 17.7901 17.7917 18.4467 18.4485 k =-0.0179 0.0235 0.0296 ( 4097 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8760 -10.8760 -4.5520 -4.5518 -4.4131 -4.4130 -4.3644 -4.3640 -3.0512 -3.0511 1.9260 1.9264 1.9281 1.9284 2.5118 2.5127 3.6381 3.6388 4.3684 4.3685 5.8847 5.8850 6.7721 6.7722 6.7863 6.7867 10.0232 10.0248 10.0409 10.0420 10.2999 10.3026 14.2465 14.2467 17.7370 17.7370 17.7726 17.7738 18.4245 18.4259 k =-0.0119 0.0157 0.0197 ( 4097 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8803 -10.8803 -4.5462 -4.5460 -4.3883 -4.3882 -4.3663 -4.3660 -3.0722 -3.0722 1.9441 1.9445 1.9457 1.9459 2.4880 2.4886 3.6174 3.6179 4.3690 4.3691 5.8771 5.8773 6.7740 6.7740 6.7813 6.7816 10.0360 10.0374 10.0513 10.0517 10.3128 10.3145 14.2253 14.2255 17.7432 17.7434 17.7605 17.7611 18.4087 18.4096 k =-0.0060 0.0078 0.0099 ( 4095 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8829 -10.8829 -4.5427 -4.5426 -4.3730 -4.3730 -4.3674 -4.3673 -3.0852 -3.0852 1.9559 1.9561 1.9567 1.9568 2.4728 2.4731 3.6047 3.6049 4.3694 4.3695 5.8726 5.8727 6.7745 6.7745 6.7791 6.7792 10.0435 10.0443 10.0580 10.0580 10.3207 10.3216 14.2126 14.2127 17.7458 17.7461 17.7544 17.7545 18.3992 18.3997 k = 0.0000 0.0000 0.0000 ( 4091 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8837 -10.8837 -4.5415 -4.5415 -4.3682 -4.3682 -4.3674 -4.3674 -3.0896 -3.0896 1.9600 1.9600 1.9606 1.9606 2.4677 2.4677 3.6005 3.6005 4.3696 4.3696 5.8711 5.8711 6.7743 6.7743 6.7787 6.7787 10.0462 10.0462 10.0603 10.0603 10.3236 10.3236 14.2084 14.2084 17.7458 17.7458 17.7533 17.7533 18.3962 18.3962 k = 0.0000 0.0000 0.0000 ( 4091 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8837 -10.8837 -4.5415 -4.5415 -4.3682 -4.3682 -4.3674 -4.3674 -3.0896 -3.0896 1.9600 1.9600 1.9606 1.9606 2.4677 2.4677 3.6005 3.6005 4.3696 4.3696 5.8711 5.8711 6.7743 6.7743 6.7787 6.7787 10.0462 10.0462 10.0603 10.0603 10.3236 10.3236 14.2084 14.2084 17.7458 17.7458 17.7533 17.7533 18.3962 18.3962 k = 0.0109 0.0083-0.0000 ( 4099 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8828 -10.8828 -4.5524 -4.5524 -4.3687 -4.3687 -4.3678 -4.3678 -3.0787 -3.0787 1.9615 1.9615 1.9621 1.9621 2.4636 2.4636 3.6051 3.6051 4.3681 4.3681 5.8734 5.8734 6.7752 6.7752 6.7796 6.7796 10.0439 10.0439 10.0579 10.0579 10.3208 10.3208 14.2113 14.2113 17.7471 17.7471 17.7546 17.7546 18.3930 18.3930 k = 0.0217 0.0166-0.0000 ( 4107 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8800 -10.8800 -4.5841 -4.5841 -4.3702 -4.3702 -4.3693 -4.3693 -3.0471 -3.0471 1.9660 1.9660 1.9665 1.9665 2.4517 2.4517 3.6187 3.6187 4.3636 4.3636 5.8804 5.8804 6.7778 6.7778 6.7822 6.7822 10.0368 10.0368 10.0509 10.0509 10.3123 10.3123 14.2199 14.2199 17.7509 17.7509 17.7584 17.7584 18.3834 18.3834 k = 0.0326 0.0248-0.0000 ( 4107 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8752 -10.8752 -4.6342 -4.6342 -4.3725 -4.3725 -4.3717 -4.3717 -2.9971 -2.9971 1.9734 1.9734 1.9739 1.9739 2.4324 2.4324 3.6407 3.6407 4.3563 4.3563 5.8918 5.8918 6.7822 6.7822 6.7866 6.7866 10.0252 10.0252 10.0392 10.0392 10.2983 10.2983 14.2342 14.2342 17.7571 17.7571 17.7645 17.7645 18.3677 18.3677 k = 0.0435 0.0331-0.0000 ( 4107 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8686 -10.8686 -4.6994 -4.6994 -4.3759 -4.3759 -4.3750 -4.3750 -2.9321 -2.9321 1.9837 1.9837 1.9843 1.9843 2.4067 2.4067 3.6702 3.6702 4.3463 4.3463 5.9075 5.9075 6.7883 6.7883 6.7928 6.7928 10.0090 10.0090 10.0229 10.0229 10.2787 10.2787 14.2542 14.2542 17.7653 17.7653 17.7726 17.7726 18.3459 18.3459 k = 0.0543 0.0414-0.0000 ( 4091 PWs) bands (ev): -86.9425 -86.9425 -86.9393 -86.9393 -10.8601 -10.8601 -4.7767 -4.7767 -4.3801 -4.3801 -4.3792 -4.3792 -2.8552 -2.8552 1.9969 1.9969 1.9975 1.9975 2.3754 2.3754 3.7063 3.7063 4.3340 4.3340 5.9272 5.9272 6.7961 6.7961 6.8005 6.8005 9.9884 9.9884 10.0022 10.0022 10.2537 10.2537 14.2799 14.2799 17.7752 17.7752 17.7823 17.7823 18.3184 18.3184 k = 0.0652 0.0497-0.0000 ( 4091 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8497 -10.8497 -4.8631 -4.8631 -4.3852 -4.3852 -4.3843 -4.3843 -2.7692 -2.7692 2.0130 2.0130 2.0136 2.0136 2.3396 2.3396 3.7481 3.7481 4.3196 4.3196 5.9506 5.9506 6.8056 6.8056 6.8100 6.8100 9.9636 9.9636 9.9773 9.9773 10.2234 10.2234 14.3111 14.3111 17.7860 17.7860 17.7929 17.7929 18.2854 18.2854 k = 0.0761 0.0580 0.0000 ( 4079 PWs) bands (ev): -86.9425 -86.9425 -86.9394 -86.9394 -10.8374 -10.8374 -4.9566 -4.9566 -4.3911 -4.3911 -4.3903 -4.3903 -2.6763 -2.6763 2.0319 2.0319 2.0324 2.0324 2.3000 2.3000 3.7944 3.7944 4.3037 4.3037 5.9774 5.9774 6.8166 6.8166 6.8210 6.8210 9.9347 9.9347 9.9483 9.9483 10.1880 10.1880 14.3479 14.3479 17.7972 17.7972 17.8038 17.8038 18.2475 18.2475 k = 0.0870 0.0662-0.0000 ( 4079 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.8233 -10.8233 -5.0553 -5.0553 -4.3979 -4.3979 -4.3971 -4.3971 -2.5784 -2.5784 2.0535 2.0535 2.0541 2.0541 2.2575 2.2575 3.8446 3.8446 4.2864 4.2864 6.0072 6.0072 6.8291 6.8291 6.8335 6.8335 9.9021 9.9021 9.9156 9.9156 10.1475 10.1475 14.3902 14.3902 17.8078 17.8078 17.8142 17.8142 18.2049 18.2049 k = 0.0978 0.0745-0.0000 ( 4083 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.8072 -10.8072 -5.1580 -5.1580 -4.4055 -4.4055 -4.4047 -4.4047 -2.4768 -2.4768 2.0778 2.0778 2.0783 2.0783 2.2128 2.2128 3.8978 3.8978 4.2682 4.2682 6.0397 6.0397 6.8431 6.8431 6.8475 6.8475 9.8659 9.8659 9.8792 9.8792 10.1024 10.1024 14.4378 14.4378 17.8169 17.8169 17.8229 17.8229 18.1582 18.1582 k = 0.1087 0.0828-0.0000 ( 4079 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7893 -10.7893 -5.2636 -5.2636 -4.4138 -4.4138 -4.4129 -4.4129 -2.3725 -2.3725 2.1047 2.1047 2.1052 2.1052 2.1665 2.1665 3.9534 3.9534 4.2495 4.2495 6.0746 6.0746 6.8583 6.8583 6.8628 6.8628 9.8265 9.8265 9.8397 9.8397 10.0526 10.0526 14.4907 14.4907 17.8231 17.8231 17.8288 17.8288 18.1078 18.1078 k = 0.1196 0.0911-0.0000 ( 4087 PWs) bands (ev): -86.9424 -86.9424 -86.9394 -86.9394 -10.7695 -10.7695 -5.3714 -5.3714 -4.4227 -4.4227 -4.4219 -4.4219 -2.2663 -2.2663 2.1187 2.1187 2.1341 2.1341 2.1346 2.1346 4.0109 4.0109 4.2306 4.2306 6.1116 6.1116 6.8748 6.8748 6.8793 6.8793 9.7841 9.7841 9.7971 9.7971 9.9985 9.9985 14.5488 14.5488 17.8254 17.8254 17.8307 17.8307 18.0541 18.0541 k = 0.1304 0.0994-0.0000 ( 4087 PWs) bands (ev): -86.9424 -86.9424 -86.9395 -86.9395 -10.7478 -10.7478 -5.4809 -5.4809 -4.4323 -4.4323 -4.4315 -4.4315 -2.1588 -2.1588 2.0703 2.0703 2.1659 2.1659 2.1663 2.1663 4.0698 4.0698 4.2120 4.2120 6.1503 6.1503 6.8924 6.8924 6.8969 6.8969 9.7391 9.7391 9.7519 9.7519 9.9404 9.9404 14.6119 14.6119 17.8223 17.8223 17.8272 17.8272 17.9977 17.9977 k = 0.1413 0.1076-0.0000 ( 4079 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.7242 -10.7242 -5.5915 -5.5915 -4.4424 -4.4424 -4.4417 -4.4417 -2.0507 -2.0507 2.0214 2.0214 2.2000 2.2000 2.2004 2.2004 4.1296 4.1296 4.1939 4.1939 6.1904 6.1904 6.9110 6.9110 6.9154 6.9154 9.6918 9.6918 9.7045 9.7045 9.8783 9.8783 14.6799 14.6799 17.8126 17.8126 17.8170 17.8170 17.9390 17.9390 k = 0.1522 0.1159-0.0000 ( 4083 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.6988 -10.6988 -5.7029 -5.7029 -4.4531 -4.4531 -4.4524 -4.4524 -1.9423 -1.9423 1.9721 1.9721 2.2362 2.2362 2.2367 2.2367 4.1762 4.1762 4.1904 4.1904 6.2318 6.2318 6.9303 6.9303 6.9347 6.9347 9.6426 9.6426 9.6551 9.6551 9.8128 9.8128 14.7526 14.7526 17.7948 17.7948 17.7988 17.7988 17.8784 17.8784 k = 0.1630 0.1242-0.0000 ( 4095 PWs) bands (ev): -86.9423 -86.9423 -86.9395 -86.9395 -10.6715 -10.6715 -5.8148 -5.8148 -4.4642 -4.4642 -4.4635 -4.4635 -1.8340 -1.8340 1.9227 1.9227 2.2746 2.2746 2.2750 2.2750 4.1603 4.1603 4.2509 4.2509 6.2742 6.2742 6.9502 6.9502 6.9546 6.9546 9.5919 9.5919 9.6042 9.6042 9.7439 9.7439 14.8299 14.8299 17.7680 17.7680 17.7715 17.7715 17.8163 17.8163 k = 0.1739 0.1325-0.0000 ( 4095 PWs) bands (ev): -86.9423 -86.9423 -86.9396 -86.9396 -10.6424 -10.6424 -5.9269 -5.9269 -4.4757 -4.4757 -4.4750 -4.4750 -1.7261 -1.7261 1.8735 1.8735 2.3149 2.3149 2.3153 2.3153 4.1455 4.1455 4.3116 4.3116 6.3174 6.3174 6.9705 6.9705 6.9749 6.9749 9.5401 9.5401 9.5522 9.5522 9.6720 9.6720 14.9115 14.9115 17.7314 17.7314 17.7346 17.7346 17.7533 17.7533 k = 0.1848 0.1408 0.0000 ( 4087 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.6114 -10.6114 -6.0392 -6.0392 -4.4876 -4.4876 -4.4869 -4.4869 -1.6189 -1.6189 1.8244 1.8244 2.3571 2.3571 2.3575 2.3575 4.1324 4.1324 4.3719 4.3719 6.3611 6.3611 6.9910 6.9910 6.9954 6.9954 9.4876 9.4876 9.4996 9.4996 9.5974 9.5974 14.9972 14.9972 17.6843 17.6843 17.6876 17.6876 17.6902 17.6902 k = 0.1957 0.1491-0.0000 ( 4083 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.5786 -10.5786 -6.1513 -6.1513 -4.4997 -4.4997 -4.4990 -4.4990 -1.5127 -1.5127 1.7757 1.7757 2.4009 2.4009 2.4013 2.4013 4.1212 4.1212 4.4316 4.4316 6.4053 6.4053 7.0114 7.0114 7.0157 7.0157 9.4348 9.4348 9.4466 9.4466 9.5204 9.5204 15.0869 15.0869 17.6246 17.6246 17.6293 17.6293 17.6308 17.6308 k = 0.2065 0.1573-0.0000 ( 4095 PWs) bands (ev): -86.9422 -86.9422 -86.9396 -86.9396 -10.5439 -10.5439 -6.2632 -6.2632 -4.5120 -4.5120 -4.5114 -4.5114 -1.4076 -1.4076 1.7274 1.7274 2.4463 2.4463 2.4466 2.4466 4.1120 4.1120 4.4904 4.4904 6.4498 6.4498 7.0314 7.0314 7.0357 7.0357 9.3820 9.3820 9.3939 9.3939 9.4414 9.4414 15.1801 15.1801 17.5604 17.5604 17.5635 17.5635 17.5645 17.5645 k = 0.2174 0.1656-0.0000 ( 4091 PWs) bands (ev): -86.9422 -86.9422 -86.9397 -86.9397 -10.5074 -10.5074 -6.3747 -6.3747 -4.5245 -4.5245 -4.5239 -4.5239 -1.3039 -1.3039 1.6795 1.6795 2.4930 2.4930 2.4934 2.4934 4.1053 4.1053 4.5480 4.5480 6.4944 6.4944 7.0507 7.0507 7.0549 7.0549 9.3293 9.3293 9.3419 9.3419 9.3612 9.3612 15.2767 15.2767 17.4877 17.4877 17.4894 17.4894 17.4982 17.4982 k = 0.2283 0.1739-0.0000 ( 4091 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.4690 -10.4690 -6.4858 -6.4858 -4.5370 -4.5370 -4.5364 -4.5364 -1.2017 -1.2017 1.6322 1.6322 2.5410 2.5410 2.5414 2.5414 4.1010 4.1010 4.6042 4.6042 6.5390 6.5390 7.0690 7.0690 7.0732 7.0732 9.2707 9.2707 9.2864 9.2864 9.2910 9.2910 15.3762 15.3762 17.4056 17.4056 17.4069 17.4069 17.4353 17.4353 k = 0.2391 0.1822-0.0000 ( 4091 PWs) bands (ev): -86.9421 -86.9421 -86.9397 -86.9397 -10.4288 -10.4288 -6.5963 -6.5963 -4.5496 -4.5496 -4.5490 -4.5490 -1.1013 -1.1013 1.5855 1.5855 2.5901 2.5901 2.5905 2.5905 4.0994 4.0994 4.6587 4.6587 6.5834 6.5834 7.0860 7.0860 7.0901 7.0901 9.1912 9.1912 9.2330 9.2330 9.2417 9.2417 15.4783 15.4783 17.3169 17.3169 17.3179 17.3179 17.3737 17.3737 k = 0.2500 0.1905-0.0000 ( 4103 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.3868 -10.3868 -6.7061 -6.7061 -4.5622 -4.5622 -4.5616 -4.5616 -1.0029 -1.0029 1.5394 1.5394 2.6401 2.6401 2.6404 2.6404 4.1006 4.1006 4.7112 4.7112 6.6277 6.6277 7.1012 7.1012 7.1053 7.1053 9.1070 9.1070 9.1855 9.1855 9.1946 9.1946 15.5827 15.5827 17.2229 17.2229 17.2238 17.2238 17.3136 17.3136 k = 0.2609 0.1987-0.0000 ( 4111 PWs) bands (ev): -86.9420 -86.9420 -86.9398 -86.9398 -10.3430 -10.3430 -6.8153 -6.8153 -4.5746 -4.5746 -4.5741 -4.5741 -0.9065 -0.9065 1.4939 1.4939 2.6907 2.6907 2.6911 2.6911 4.1047 4.1047 4.7615 4.7615 6.6717 6.6717 7.1145 7.1145 7.1184 7.1184 9.0218 9.0218 9.1410 9.1410 9.1500 9.1500 15.6886 15.6886 17.1249 17.1249 17.1257 17.1257 17.2551 17.2551 k = 0.2717 0.2070-0.0000 ( 4095 PWs) bands (ev): -86.9420 -86.9420 -86.9399 -86.9399 -10.2974 -10.2974 -6.9236 -6.9236 -4.5869 -4.5869 -4.5864 -4.5864 -0.8123 -0.8123 1.4491 1.4491 2.7419 2.7419 2.7423 2.7423 4.1120 4.1120 4.8093 4.8093 6.7153 6.7153 7.1253 7.1253 7.1291 7.1291 8.9361 8.9361 9.0998 9.0998 9.1085 9.1085 15.7957 15.7957 17.0241 17.0241 17.0248 17.0248 17.1985 17.1985 k = 0.2826 0.2153-0.0000 ( 4095 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -10.2500 -10.2500 -7.0312 -7.0312 -4.5990 -4.5990 -4.5985 -4.5985 -0.7205 -0.7205 1.4048 1.4048 2.7934 2.7934 2.7938 2.7938 4.1224 4.1224 4.8543 4.8543 6.7584 6.7584 7.1335 7.1335 7.1371 7.1371 8.8504 8.8504 9.0620 9.0620 9.0704 9.0704 15.9032 15.9032 16.9214 16.9214 16.9220 16.9220 17.1442 17.1442 k = 0.2935 0.2236-0.0000 ( 4103 PWs) bands (ev): -86.9419 -86.9419 -86.9399 -86.9399 -10.2008 -10.2008 -7.1378 -7.1378 -4.6109 -4.6109 -4.6104 -4.6104 -0.6312 -0.6312 1.3612 1.3612 2.8450 2.8450 2.8454 2.8454 4.1360 4.1360 4.8962 4.8962 6.8010 6.8010 7.1387 7.1387 7.1421 7.1421 8.7649 8.7649 9.0281 9.0281 9.0361 9.0361 16.0104 16.0104 16.8179 16.8179 16.8184 16.8184 17.0923 17.0923 k = 0.3043 0.2319-0.0000 ( 4103 PWs) bands (ev): -86.9418 -86.9418 -86.9400 -86.9400 -10.1498 -10.1498 -7.2435 -7.2435 -4.6224 -4.6224 -4.6220 -4.6220 -0.5444 -0.5444 1.3182 1.3182 2.8965 2.8965 2.8969 2.8969 4.1529 4.1529 4.9348 4.9348 6.8431 6.8431 7.1407 7.1407 7.1440 7.1440 8.6802 8.6802 8.9983 8.9983 9.0059 9.0059 16.1164 16.1164 16.7145 16.7145 16.7150 16.7150 17.0431 17.0431 k = 0.3152 0.2401-0.0000 ( 4099 PWs) bands (ev): -86.9418 -86.9418 -86.9400 -86.9400 -10.0970 -10.0970 -7.3481 -7.3481 -4.6336 -4.6336 -4.6332 -4.6332 -0.4603 -0.4603 1.2757 1.2757 2.9477 2.9477 2.9481 2.9481 4.1731 4.1731 4.9697 4.9697 6.8845 6.8845 7.1395 7.1395 7.1425 7.1425 8.5964 8.5964 8.9728 8.9728 8.9800 8.9800 16.2201 16.2201 16.6119 16.6119 16.6124 16.6124 16.9969 16.9969 k = 0.3261 0.2484-0.0000 ( 4099 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -10.0425 -10.0425 -7.4518 -7.4518 -4.6444 -4.6444 -4.6440 -4.6440 -0.3788 -0.3788 1.2338 1.2338 2.9983 2.9983 2.9986 2.9986 4.1964 4.1964 5.0007 5.0007 6.9253 6.9253 7.1349 7.1349 7.1377 7.1377 8.5138 8.5138 8.9517 8.9517 8.9584 8.9584 16.3202 16.3202 16.5111 16.5111 16.5116 16.5116 16.9537 16.9537 k = 0.3370 0.2567-0.0000 ( 4099 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.9862 -9.9862 -7.5543 -7.5543 -4.6548 -4.6548 -4.6544 -4.6544 -0.3001 -0.3001 1.1924 1.1924 3.0480 3.0480 3.0483 3.0483 4.2230 4.2230 5.0275 5.0275 6.9655 6.9655 7.1272 7.1272 7.1298 7.1298 8.4329 8.4329 8.9349 8.9349 8.9412 8.9412 16.4121 16.4121 16.4129 16.4129 16.4161 16.4161 16.9138 16.9138 k = 0.3478 0.2650-0.0000 ( 4099 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.9282 -9.9282 -7.6557 -7.6557 -4.6647 -4.6647 -4.6643 -4.6643 -0.2242 -0.2242 1.1515 1.1515 3.0965 3.0965 3.0969 3.0969 4.2527 4.2527 5.0499 5.0499 7.0050 7.0050 7.1165 7.1165 7.1188 7.1188 8.3538 8.3538 8.9222 8.9222 8.9281 8.9281 16.3173 16.3173 16.3177 16.3177 16.5038 16.5038 16.8773 16.8773 k = 0.3587 0.2733 0.0000 ( 4091 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.8685 -9.8685 -7.7560 -7.7560 -4.6740 -4.6740 -4.6737 -4.6737 -0.1511 -0.1511 1.1109 1.1109 3.1437 3.1437 3.1441 3.1441 4.2854 4.2854 5.0676 5.0676 7.0438 7.0438 7.1032 7.1032 7.1052 7.1052 8.2769 8.2769 8.9135 8.9135 8.9189 8.9189 16.2256 16.2256 16.2259 16.2259 16.5840 16.5840 16.8444 16.8444 k = 0.3696 0.2815 0.0000 ( 4103 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.8070 -9.8070 -7.8551 -7.8551 -4.6828 -4.6828 -4.6826 -4.6826 -0.0807 -0.0807 1.0707 1.0707 3.1892 3.1892 3.1896 3.1896 4.3209 4.3209 5.0805 5.0805 7.0811 7.0811 7.0883 7.0883 7.0898 7.0898 8.2024 8.2024 8.9083 8.9083 8.9132 8.9132 16.1381 16.1381 16.1384 16.1384 16.6541 16.6541 16.8153 16.8153 k = 0.3804 0.2898-0.0000 ( 4103 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.7438 -9.7438 -7.9529 -7.9529 -4.6911 -4.6911 -4.6908 -4.6908 -0.0130 -0.0130 1.0308 1.0308 3.2326 3.2326 3.2330 3.2330 4.3590 4.3590 5.0884 5.0884 7.0701 7.0701 7.0718 7.0718 7.1201 7.1201 8.1306 8.1306 8.9062 8.9062 8.9106 8.9106 16.0554 16.0554 16.0557 16.0557 16.7126 16.7126 16.7899 16.7899 k = 0.3913 0.2981-0.0000 ( 4103 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.6790 -9.6790 -8.0495 -8.0495 -4.6987 -4.6987 -4.6984 -4.6984 0.0520 0.0520 0.9910 0.9910 3.2738 3.2738 3.2741 3.2741 4.3994 4.3994 5.0912 5.0912 7.0516 7.0516 7.0530 7.0530 7.1572 7.1572 8.0615 8.0615 8.9067 8.9067 8.9106 8.9106 15.9780 15.9780 15.9783 15.9783 16.7587 16.7587 16.7685 16.7685 k = 0.4022 0.3064-0.0000 ( 4103 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.6124 -9.6124 -8.1448 -8.1448 -4.7057 -4.7057 -4.7054 -4.7054 0.1144 0.1144 0.9513 0.9513 3.3123 3.3123 3.3126 3.3126 4.4420 4.4420 5.0887 5.0887 7.0325 7.0325 7.0337 7.0337 7.1939 7.1939 7.9954 7.9954 8.9092 8.9092 8.9126 8.9126 15.9064 15.9064 15.9067 15.9067 16.7509 16.7509 16.7923 16.7923 k = 0.4130 0.3147-0.0000 ( 4103 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.5442 -9.5442 -8.2388 -8.2388 -4.7120 -4.7120 -4.7118 -4.7118 0.1744 0.1744 0.9117 0.9117 3.3478 3.3478 3.3482 3.3482 4.4863 4.4863 5.0811 5.0811 7.0135 7.0135 7.0145 7.0145 7.2303 7.2303 7.9324 7.9324 8.9132 8.9132 8.9162 8.9162 15.8410 15.8410 15.8413 15.8413 16.7373 16.7373 16.8138 16.8138 k = 0.4239 0.3229-0.0000 ( 4099 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.4744 -9.4744 -8.3314 -8.3314 -4.7176 -4.7176 -4.7174 -4.7174 0.2320 0.2320 0.8719 0.8719 3.3801 3.3801 3.3804 3.3804 4.5321 4.5321 5.0684 5.0684 6.9950 6.9950 6.9958 6.9958 7.2665 7.2665 7.8724 7.8724 8.9181 8.9181 8.9208 8.9208 15.7823 15.7823 15.7825 15.7825 16.7276 16.7276 16.8248 16.8248 k = 0.4348 0.3312-0.0000 ( 4099 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -9.4028 -9.4028 -8.4227 -8.4227 -4.7225 -4.7225 -4.7223 -4.7223 0.2874 0.2874 0.8320 0.8320 3.4088 3.4088 3.4091 3.4091 4.5789 4.5789 5.0507 5.0507 6.9777 6.9777 6.9784 6.9784 7.3027 7.3027 7.8155 7.8155 8.9236 8.9236 8.9258 8.9258 15.7306 15.7306 15.7308 15.7308 16.7218 16.7218 16.8269 16.8269 k = 0.4457 0.3395 0.0000 ( 4107 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -9.3297 -9.3297 -8.5125 -8.5125 -4.7266 -4.7266 -4.7265 -4.7265 0.3407 0.3407 0.7917 0.7917 3.4337 3.4337 3.4339 3.4339 4.6263 4.6263 5.0282 5.0282 6.9620 6.9620 6.9626 6.9626 7.3390 7.3390 7.7615 7.7615 8.9291 8.9291 8.9309 8.9309 15.6862 15.6862 15.6864 15.6864 16.7197 16.7197 16.8223 16.8223 k = 0.4565 0.3478-0.0000 ( 4106 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -9.2550 -9.2550 -8.6010 -8.6010 -4.7301 -4.7301 -4.7300 -4.7300 0.3920 0.3920 0.7509 0.7509 3.4544 3.4544 3.4546 3.4546 4.6739 4.6739 5.0012 5.0012 6.9486 6.9486 6.9490 6.9490 7.3756 7.3756 7.7104 7.7104 8.9341 8.9341 8.9356 8.9356 15.6495 15.6495 15.6497 15.6497 16.7213 16.7213 16.8127 16.8127 k = 0.4674 0.3561-0.0000 ( 4114 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -9.1786 -9.1786 -8.6880 -8.6880 -4.7327 -4.7327 -4.7327 -4.7327 0.4415 0.4415 0.7096 0.7096 3.4708 3.4708 3.4710 3.4710 4.7212 4.7212 4.9701 4.9701 6.9377 6.9377 6.9380 6.9380 7.4127 7.4127 7.6619 7.6619 8.9385 8.9385 8.9396 8.9396 15.6207 15.6207 15.6208 15.6208 16.7261 16.7261 16.8001 16.8001 k = 0.4783 0.3643-0.0000 ( 4118 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -9.1007 -9.1007 -8.7735 -8.7735 -4.7347 -4.7347 -4.7346 -4.7346 0.4894 0.4894 0.6676 0.6676 3.4827 3.4827 3.4828 3.4828 4.7676 4.7676 4.9353 4.9353 6.9297 6.9297 6.9299 6.9299 7.4507 7.4507 7.6159 7.6159 8.9419 8.9419 8.9426 8.9426 15.6000 15.6000 15.6001 15.6001 16.7340 16.7340 16.7858 16.7858 k = 0.4891 0.3726-0.0000 ( 4118 PWs) bands (ev): -86.9410 -86.9410 -86.9409 -86.9409 -9.0212 -9.0212 -8.8576 -8.8576 -4.7358 -4.7358 -4.7358 -4.7358 0.5358 0.5358 0.6247 0.6247 3.4898 3.4898 3.4899 3.4899 4.8128 4.8128 4.8971 4.8971 6.9248 6.9248 6.9249 6.9249 7.4897 7.4897 7.5720 7.5720 8.9440 8.9440 8.9444 8.9444 15.5875 15.5875 15.5875 15.5875 16.7445 16.7445 16.7711 16.7711 k = 0.5000 0.3809-0.0000 ( 4142 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9402 -8.9402 -8.9402 -8.9402 -4.7362 -4.7362 -4.7362 -4.7362 0.5808 0.5808 0.5808 0.5808 3.4923 3.4923 3.4923 3.4923 4.8561 4.8561 4.8561 4.8561 6.9232 6.9232 6.9232 6.9232 7.5300 7.5300 7.5300 7.5300 8.9449 8.9449 8.9449 8.9449 15.5833 15.5833 15.5833 15.5833 16.7571 16.7571 16.7571 16.7571 k = 0.5000 0.3809-0.0000 ( 4142 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9402 -8.9402 -8.9402 -8.9402 -4.7362 -4.7362 -4.7362 -4.7362 0.5808 0.5808 0.5808 0.5808 3.4923 3.4923 3.4923 3.4923 4.8561 4.8561 4.8561 4.8561 6.9232 6.9232 6.9232 6.9232 7.5300 7.5300 7.5300 7.5300 8.9449 8.9449 8.9449 8.9449 15.5833 15.5833 15.5833 15.5833 16.7571 16.7571 16.7571 16.7571 k = 0.4941 0.3887 0.0098 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9401 -8.9401 -8.9392 -8.9392 -4.7387 -4.7387 -4.7358 -4.7358 0.5804 0.5804 0.5841 0.5841 3.4905 3.4908 3.4916 3.4917 4.8538 4.8538 4.8573 4.8575 6.9117 6.9122 6.9238 6.9238 7.5275 7.5277 7.5402 7.5408 8.9438 8.9438 8.9480 8.9480 15.5787 15.5787 15.5867 15.5868 16.7607 16.7607 16.7658 16.7658 k = 0.4882 0.3964 0.0195 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9400 -8.9400 -8.9363 -8.9363 -4.7464 -4.7464 -4.7347 -4.7346 0.5791 0.5792 0.5940 0.5940 3.4856 3.4863 3.4897 3.4898 4.8469 4.8469 4.8610 4.8614 6.8798 6.8809 6.9255 6.9256 7.5204 7.5207 7.5691 7.5702 8.9404 8.9405 8.9571 8.9573 15.5653 15.5653 15.5969 15.5970 16.7715 16.7715 16.7915 16.7917 k = 0.4823 0.4042 0.0293 ( 4122 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9399 -8.9399 -8.9315 -8.9315 -4.7591 -4.7590 -4.7328 -4.7327 0.5769 0.5771 0.6103 0.6104 3.4777 3.4786 3.4866 3.4867 4.8356 4.8356 4.8672 4.8678 6.8323 6.8337 6.9282 6.9283 7.5089 7.5094 7.6124 7.6138 8.9349 8.9350 8.9721 8.9724 15.5443 15.5444 15.6139 15.6140 16.7895 16.7896 16.8331 16.8332 k = 0.4763 0.4120 0.0390 ( 4122 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9397 -8.9397 -8.9248 -8.9248 -4.7765 -4.7765 -4.7301 -4.7300 0.5738 0.5741 0.6329 0.6329 3.4668 3.4680 3.4821 3.4823 4.8202 4.8202 4.8758 4.8765 6.7738 6.7754 6.9318 6.9319 7.4934 7.4940 7.6652 7.6669 8.9272 8.9274 8.9926 8.9929 15.5176 15.5177 15.6375 15.6377 16.8147 16.8148 16.8886 16.8888 k = 0.4704 0.4197 0.0488 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9395 -8.9395 -8.9162 -8.9162 -4.7986 -4.7985 -4.7267 -4.7265 0.5698 0.5702 0.6613 0.6614 3.4530 3.4546 3.4764 3.4766 4.8010 4.8011 4.8867 4.8876 6.7077 6.7095 6.9358 6.9360 7.4745 7.4753 7.7242 7.7260 8.9173 8.9176 9.0179 9.0182 15.4869 15.4870 15.6678 15.6681 16.8469 16.8471 16.9563 16.9565 k = 0.4645 0.4275 0.0586 ( 4116 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9393 -8.9393 -8.9057 -8.9057 -4.8249 -4.8249 -4.7225 -4.7224 0.5649 0.5653 0.6954 0.6955 3.4367 3.4385 3.4695 3.4697 4.7786 4.7786 4.8999 4.9010 6.6365 6.6384 6.9402 6.9404 7.4528 7.4537 7.7869 7.7888 8.9054 8.9057 9.0474 9.0479 15.4539 15.4540 15.7047 15.7050 16.8861 16.8863 17.0343 17.0346 k = 0.4586 0.4353 0.0683 ( 4100 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9392 -8.9392 -8.8933 -8.8932 -4.8552 -4.8552 -4.7176 -4.7174 0.5589 0.5594 0.7345 0.7347 3.4179 3.4200 3.4612 3.4614 4.7533 4.7534 4.9152 4.9164 6.5617 6.5636 6.9444 6.9446 7.4289 7.4300 7.8518 7.8538 8.8913 8.8917 9.0807 9.0811 15.4202 15.4203 15.7480 15.7484 16.9322 16.9324 17.1212 17.1215 k = 0.4527 0.4430 0.0781 ( 4098 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9393 -8.9393 -8.8789 -8.8789 -4.8891 -4.8891 -4.7120 -4.7118 0.5519 0.5525 0.7784 0.7785 3.3969 3.3993 3.4516 3.4519 4.7259 4.7259 4.9325 4.9339 6.4843 6.4863 6.9481 6.9484 7.4036 7.4047 7.9179 7.9200 8.8753 8.8757 9.1169 9.1174 15.3869 15.3870 15.7977 15.7981 16.9850 16.9852 17.2157 17.2160 k = 0.4468 0.4508 0.0878 ( 4098 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9396 -8.9395 -8.8627 -8.8626 -4.9262 -4.9262 -4.7057 -4.7055 0.5437 0.5444 0.8262 0.8264 3.3739 3.3765 3.4407 3.4410 4.6968 4.6969 4.9518 4.9533 6.4051 6.4071 6.9511 6.9514 7.3772 7.3785 7.9845 7.9866 8.8573 8.8577 9.1555 9.1561 15.3550 15.3551 15.8535 15.8540 17.0444 17.0446 17.3168 17.3171 k = 0.4408 0.4586 0.0976 ( 4098 PWs) bands (ev): -86.9410 -86.9410 -86.9409 -86.9409 -8.9401 -8.9400 -8.8445 -8.8445 -4.9661 -4.9661 -4.6987 -4.6985 0.5343 0.5351 0.8776 0.8778 3.3492 3.3520 3.4285 3.4288 4.6668 4.6669 4.9728 4.9744 6.3246 6.3266 6.9528 6.9532 7.3506 7.3519 8.0511 8.0532 8.8374 8.8379 9.1960 9.1966 15.3252 15.3253 15.9153 15.9159 17.1102 17.1105 17.4236 17.4240 k = 0.4349 0.4663 0.1074 ( 4100 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.9409 -8.9409 -8.8245 -8.8245 -5.0083 -5.0083 -4.6911 -4.6908 0.5236 0.5245 0.9319 0.9321 3.3230 3.3259 3.4150 3.4153 4.6366 4.6367 4.9956 4.9972 6.2432 6.2452 6.9532 6.9535 7.3241 7.3255 8.1173 8.1195 8.8156 8.8162 9.2378 9.2384 15.2980 15.2982 15.9829 15.9835 17.1823 17.1826 17.5355 17.5358 k = 0.4290 0.4741 0.1171 ( 4096 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.9422 -8.9422 -8.8026 -8.8026 -5.0525 -5.0524 -4.6828 -4.6825 0.5116 0.5125 0.9883 0.9885 3.2955 3.2986 3.4002 3.4006 4.6068 4.6069 5.0199 5.0216 6.1613 6.1633 6.9517 6.9521 7.2983 7.2998 8.1829 8.1851 8.7922 8.7928 9.2805 9.2810 15.2740 15.2742 16.0562 16.0568 17.2605 17.2608 17.6518 17.6521 k = 0.4231 0.4818 0.1269 ( 4108 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.9441 -8.9440 -8.7789 -8.7788 -5.0981 -5.0980 -4.6739 -4.6736 0.4981 0.4990 1.0462 1.0464 3.2669 3.2701 3.3842 3.3845 4.5781 4.5782 5.0457 5.0474 6.0791 6.0811 6.9484 6.9487 7.2735 7.2751 8.2476 8.2498 8.7670 8.7677 9.3235 9.3241 15.2535 15.2537 16.1348 16.1355 17.3445 17.3448 17.7721 17.7724 k = 0.4172 0.4896 0.1367 ( 4108 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.9465 -8.9465 -8.7532 -8.7532 -5.1447 -5.1446 -4.6645 -4.6642 0.4830 0.4840 1.1048 1.1051 3.2374 3.2407 3.3671 3.3674 4.5513 4.5514 5.0729 5.0747 5.9968 5.9988 6.9428 6.9432 7.2502 7.2518 8.3112 8.3134 8.7403 8.7410 9.3666 9.3671 15.2367 15.2369 16.2185 16.2193 17.4342 17.4346 17.8958 17.8962 k = 0.4113 0.4974 0.1464 ( 4108 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.9497 -8.9497 -8.7258 -8.7257 -5.1920 -5.1919 -4.6545 -4.6541 0.4663 0.4674 1.1635 1.1637 3.2072 3.2105 3.3489 3.3491 4.5272 4.5273 5.1014 5.1032 5.9146 5.9166 6.9349 6.9354 7.2287 7.2304 8.3735 8.3756 8.7120 8.7128 9.4092 9.4097 15.2239 15.2240 16.3071 16.3079 17.5293 17.5297 18.0227 18.0230 k = 0.4054 0.5051 0.1562 ( 4112 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.9537 -8.9537 -8.6964 -8.6963 -5.2394 -5.2393 -4.6440 -4.6436 0.4479 0.4490 1.2213 1.2216 3.1763 3.1797 3.3297 3.3299 4.5064 4.5065 5.1312 5.1330 5.8328 5.8348 6.9246 6.9251 7.2092 7.2110 8.4342 8.4364 8.6824 8.6832 9.4511 9.4517 15.2150 15.2152 16.4002 16.4011 17.6297 17.6301 18.1524 18.1526 k = 0.3994 0.5129 0.1659 ( 4112 PWs) bands (ev): -86.9411 -86.9411 -86.9408 -86.9408 -8.9587 -8.9587 -8.6653 -8.6652 -5.2866 -5.2865 -4.6330 -4.6326 0.4276 0.4288 1.2776 1.2779 3.1450 3.1484 3.3098 3.3099 4.4896 4.4898 5.1621 5.1640 5.7515 5.7535 6.9118 6.9123 7.1921 7.1939 8.4934 8.4955 8.6514 8.6523 9.4921 9.4926 15.2103 15.2106 16.4976 16.4986 17.7350 17.7354 18.2843 18.2845 k = 0.3935 0.5207 0.1757 ( 4104 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.9648 -8.9648 -8.6323 -8.6322 -5.3332 -5.3331 -4.6215 -4.6211 0.4055 0.4067 1.3315 1.3318 3.1132 3.1166 3.2892 3.2893 4.4777 4.4779 5.1942 5.1961 5.6709 5.6729 6.8964 6.8969 7.1776 7.1794 8.5506 8.5527 8.6192 8.6202 9.5317 9.5321 15.2098 15.2100 16.5989 16.5999 17.8451 17.8455 18.4180 18.4181 k = 0.3876 0.5284 0.1855 ( 4106 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.9721 -8.9720 -8.5975 -8.5973 -5.3788 -5.3787 -4.6097 -4.6092 0.3814 0.3826 1.3824 1.3827 3.0810 3.0843 3.2682 3.2684 4.4713 4.4715 5.2273 5.2292 5.5911 5.5931 6.8785 6.8790 7.1658 7.1676 8.5857 8.5865 8.6061 8.6084 9.5697 9.5701 15.2134 15.2137 16.7037 16.7048 17.9596 17.9600 18.5531 18.5531 k = 0.3817 0.5362 0.1952 ( 4110 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.9807 -8.9806 -8.5608 -8.5607 -5.4231 -5.4230 -4.5975 -4.5970 0.3552 0.3565 1.4296 1.4299 3.0483 3.0514 3.2470 3.2474 4.4710 4.4712 5.2614 5.2633 5.5123 5.5142 6.8581 6.8586 7.1569 7.1587 8.5514 8.5524 8.6591 8.6613 9.6059 9.6063 15.2212 15.2215 16.8117 16.8128 18.0783 18.0787 18.6885 18.6887 k = 0.3758 0.5440 0.2050 ( 4110 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.9908 -8.9907 -8.5225 -8.5223 -5.4657 -5.4656 -4.5849 -4.5845 0.3270 0.3283 1.4723 1.4726 3.0150 3.0181 3.2260 3.2266 4.4774 4.4776 5.2964 5.2983 5.4346 5.4365 6.8352 6.8357 7.1510 7.1529 8.5161 8.5172 8.7098 8.7120 9.6400 9.6404 15.2330 15.2334 16.9223 16.9235 18.2009 18.2013 18.8235 18.8239 k = 0.3699 0.5517 0.2147 ( 4110 PWs) bands (ev): -86.9412 -86.9412 -86.9407 -86.9407 -9.0024 -9.0023 -8.4823 -8.4822 -5.5064 -5.5062 -4.5721 -4.5716 0.2966 0.2979 1.5101 1.5104 2.9811 2.9840 3.2055 3.2063 4.4909 4.4911 5.3323 5.3342 5.3582 5.3602 6.8099 6.8104 7.1482 7.1501 8.4800 8.4811 8.7581 8.7603 9.6719 9.6723 15.2489 15.2492 17.0351 17.0364 18.3271 18.3275 18.9562 18.9571 k = 0.3640 0.5595 0.2245 ( 4106 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -9.0156 -9.0156 -8.4404 -8.4402 -5.5447 -5.5446 -4.5591 -4.5585 0.2640 0.2654 1.5426 1.5429 2.9465 2.9492 3.1858 3.1868 4.5119 4.5121 5.2831 5.2851 5.3691 5.3709 6.7824 6.7829 7.1486 7.1505 8.4431 8.4442 8.8037 8.8059 9.7014 9.7018 15.2686 15.2690 17.1496 17.1509 18.4565 18.4569 19.0840 19.0853 k = 0.3580 0.5673 0.2343 ( 4106 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -9.0307 -9.0306 -8.3967 -8.3966 -5.5806 -5.5804 -4.5458 -4.5453 0.2293 0.2307 1.5695 1.5698 2.9110 2.9135 3.1672 3.1685 4.5405 4.5407 5.2097 5.2116 5.4066 5.4084 6.7527 6.7533 7.1522 7.1541 8.4055 8.4067 8.8465 8.8487 9.7283 9.7286 15.2921 15.2925 17.2651 17.2664 18.5887 18.5891 19.2018 19.2038 k = 0.3521 0.5750 0.2440 ( 4106 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -9.0476 -9.0475 -8.3513 -8.3512 -5.6137 -5.6135 -4.5324 -4.5319 0.1924 0.1938 1.5906 1.5909 2.8746 2.8767 3.1500 3.1516 4.5768 4.5770 5.1379 5.1398 5.4448 5.4465 6.7211 6.7216 7.1591 7.1610 8.3674 8.3686 8.8864 8.8885 9.7524 9.7527 15.3192 15.3197 17.3810 17.3823 18.7232 18.7236 19.3029 19.3054 k = 0.3462 0.5828 0.2538 ( 4102 PWs) bands (ev): -86.9413 -86.9413 -86.9406 -86.9406 -9.0664 -9.0663 -8.3042 -8.3041 -5.6438 -5.6437 -4.5189 -4.5184 0.1534 0.1548 1.6059 1.6063 2.8370 2.8390 3.1345 3.1364 4.6205 4.6207 5.0681 5.0700 5.4836 5.4853 6.6876 6.6882 7.1692 7.1710 8.3289 8.3301 8.9231 8.9253 9.7736 9.7739 15.3498 15.3503 17.4964 17.4978 18.8592 18.8597 19.3819 19.3845 k = 0.3403 0.5906 0.2635 ( 4102 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.0872 -9.0871 -8.2555 -8.2553 -5.6709 -5.6707 -4.5054 -4.5048 0.1122 0.1136 1.6157 1.6160 2.7984 2.8001 3.1209 3.1230 4.6712 4.6715 5.0004 5.0023 5.5230 5.5246 6.6526 6.6533 7.1825 7.1843 8.2900 8.2913 8.9565 8.9587 9.7919 9.7922 15.3837 15.3842 17.6106 17.6120 18.9956 18.9960 19.4406 19.4429 k = 0.3344 0.5983 0.2733 ( 4102 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.1099 -9.1099 -8.2050 -8.2049 -5.6946 -5.6944 -4.4919 -4.4913 0.0690 0.0703 1.6201 1.6204 2.7588 2.7602 3.1092 3.1115 4.7278 4.7281 4.9356 4.9374 5.5629 5.5645 6.6163 6.6169 7.1990 7.2007 8.2509 8.2522 8.9866 8.9888 9.8071 9.8073 15.4206 15.4212 17.7225 17.7239 19.1300 19.1305 19.4857 19.4876 k = 0.3285 0.6061 0.2831 ( 4106 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -9.1347 -9.1347 -8.1529 -8.1528 -5.7149 -5.7147 -4.4784 -4.4778 0.0237 0.0251 1.6195 1.6199 2.7181 2.7193 3.0995 3.1021 4.7857 4.7862 4.8779 4.8796 5.6031 5.6047 6.5788 6.5795 7.2186 7.2202 8.2116 8.2129 9.0131 9.0153 9.8191 9.8193 15.4604 15.4610 17.8312 17.8325 19.2570 19.2578 19.5234 19.5248 k = 0.3225 0.6138 0.2928 ( 4102 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.1615 -9.1615 -8.0992 -8.0991 -5.7318 -5.7316 -4.4650 -4.4644 -0.0235 -0.0222 1.6145 1.6148 2.6764 2.6775 3.0920 3.0947 4.7922 4.7939 4.8796 4.8801 5.6438 5.6453 6.5407 6.5414 7.2411 7.2427 8.1724 8.1737 9.0360 9.0382 9.8279 9.8281 15.5028 15.5035 17.9353 17.9366 19.3621 19.3634 19.5573 19.5583 k = 0.3225 0.6138 0.2928 ( 4102 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.1615 -9.1615 -8.0992 -8.0991 -5.7318 -5.7316 -4.4650 -4.4644 -0.0235 -0.0222 1.6145 1.6148 2.6764 2.6775 3.0920 3.0947 4.7922 4.7939 4.8796 4.8801 5.6438 5.6453 6.5407 6.5414 7.2411 7.2427 8.1724 8.1737 9.0360 9.0382 9.8279 9.8281 15.5028 15.5035 17.9353 17.9366 19.3621 19.3634 19.5573 19.5583 k = 0.3101 0.6102 0.2974 ( 4101 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.1767 -9.1767 -8.0713 -8.0711 -5.7374 -5.7371 -4.4590 -4.4583 -0.0497 -0.0484 1.6127 1.6130 2.6559 2.6569 3.0881 3.0910 4.7713 4.7732 4.9096 4.9099 5.6618 5.6632 6.5203 6.5211 7.2528 7.2543 8.1561 8.1575 9.0448 9.0469 9.8308 9.8310 15.5264 15.5272 17.9817 17.9831 19.3777 19.3794 19.5937 19.5946 k = 0.2977 0.6065 0.3020 ( 4101 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.1955 -9.1954 -8.0398 -8.0396 -5.7395 -5.7392 -4.4534 -4.4527 -0.0826 -0.0813 1.6142 1.6146 2.6340 2.6348 3.0830 3.0860 4.7525 4.7544 4.9443 4.9446 5.6772 5.6788 6.4957 6.4966 7.2652 7.2668 8.1445 8.1460 9.0513 9.0534 9.8325 9.8328 15.5561 15.5569 18.0255 18.0268 19.3565 19.3584 19.6543 19.6552 k = 0.2853 0.6029 0.3066 ( 4096 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.2168 -9.2167 -8.0057 -8.0055 -5.7381 -5.7378 -4.4485 -4.4478 -0.1220 -0.1207 1.6192 1.6197 2.6108 2.6115 3.0770 3.0801 4.7375 4.7394 4.9810 4.9813 5.6903 5.6919 6.4670 6.4681 7.2789 7.2805 8.1373 8.1390 9.0557 9.0578 9.8325 9.8329 15.5916 15.5924 18.0669 18.0682 19.3212 19.3232 19.6922 19.6940 k = 0.2729 0.5992 0.3112 ( 4097 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.2400 -9.2399 -7.9701 -7.9699 -5.7329 -5.7326 -4.4443 -4.4436 -0.1673 -0.1660 1.6276 1.6281 2.5863 2.5869 3.0703 3.0735 4.7267 4.7287 5.0183 5.0186 5.7011 5.7028 6.4347 6.4359 7.2940 7.2957 8.1343 8.1362 9.0581 9.0601 9.8306 9.8311 15.6328 15.6337 18.1063 18.1076 19.2823 19.2843 19.7168 19.7187 k = 0.2605 0.5955 0.3159 ( 4101 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.2644 -9.2643 -7.9338 -7.9337 -5.7239 -5.7237 -4.4410 -4.4403 -0.2178 -0.2166 1.6392 1.6398 2.5607 2.5612 3.0632 3.0665 4.7203 4.7222 5.0555 5.0558 5.7097 5.7115 6.3990 6.4005 7.3110 7.3128 8.1352 8.1373 9.0586 9.0605 9.8263 9.8269 15.6796 15.6805 18.1440 18.1452 19.2436 19.2456 19.7393 19.7413 k = 0.2481 0.5919 0.3205 ( 4097 PWs) bands (ev): -86.9415 -86.9415 -86.9404 -86.9404 -9.2894 -9.2894 -7.8976 -7.8975 -5.7110 -5.7107 -4.4388 -4.4381 -0.2728 -0.2717 1.6536 1.6543 2.5344 2.5348 3.0557 3.0590 4.7181 4.7200 5.0919 5.0922 5.7162 5.7182 6.3606 6.3623 7.3301 7.3320 8.1396 8.1420 9.0572 9.0591 9.8194 9.8201 15.7316 15.7326 18.1804 18.1816 19.2069 19.2090 19.7615 19.7635 k = 0.2357 0.5882 0.3251 ( 4102 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3147 -9.3147 -7.8621 -7.8620 -5.6940 -5.6937 -4.4378 -4.4370 -0.3316 -0.3305 1.6705 1.6712 2.5076 2.5081 3.0478 3.0512 4.7199 4.7218 5.1268 5.1272 5.7206 5.7227 6.3201 6.3218 7.3517 7.3537 8.1472 8.1499 9.0542 9.0560 9.8097 9.8105 15.7887 15.7897 18.2158 18.2170 19.1731 19.1752 19.7838 19.7858 k = 0.2233 0.5845 0.3297 ( 4102 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3399 -9.3398 -7.8278 -7.8277 -5.6730 -5.6727 -4.4381 -4.4373 -0.3933 -0.3922 1.6893 1.6901 2.4810 2.4816 3.0395 3.0430 4.7255 4.7273 5.1600 5.1603 5.7229 5.7252 6.2778 6.2797 7.3760 7.3781 8.1575 8.1605 9.0495 9.0512 9.7970 9.7979 15.8505 15.8516 18.2505 18.2516 19.1426 19.1448 19.8062 19.8081 k = 0.2109 0.5809 0.3343 ( 4108 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3646 -9.3645 -7.7951 -7.7949 -5.6480 -5.6477 -4.4399 -4.4391 -0.4571 -0.4561 1.7095 1.7103 2.4551 2.4559 3.0306 3.0341 4.7346 4.7363 5.1910 5.1915 5.7231 5.7256 6.2344 6.2364 7.4033 7.4056 8.1702 8.1734 9.0432 9.0448 9.7812 9.7823 15.9168 15.9179 18.2846 18.2858 19.1159 19.1181 19.8284 19.8303 k = 0.1985 0.5772 0.3389 ( 4100 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3886 -9.3885 -7.7642 -7.7641 -5.6191 -5.6187 -4.4434 -4.4427 -0.5221 -0.5212 1.7303 1.7311 2.4307 2.4317 3.0209 3.0244 4.7469 4.7486 5.2199 5.2204 5.7211 5.7236 6.1904 6.1924 7.4338 7.4362 8.1847 8.1882 9.0354 9.0370 9.7623 9.7635 15.9872 15.9883 18.3184 18.3195 19.0929 19.0951 19.8498 19.8516 k = 0.1861 0.5736 0.3435 ( 4103 PWs) bands (ev): -86.9416 -86.9416 -86.9403 -86.9403 -9.4118 -9.4117 -7.7355 -7.7353 -5.5863 -5.5859 -4.4488 -4.4480 -0.5877 -0.5868 1.7510 1.7519 2.4084 2.4096 3.0103 3.0138 4.7623 4.7639 5.2465 5.2471 5.7167 5.7193 6.1462 6.1482 7.4676 7.4702 8.2008 8.2045 9.0262 9.0277 9.7404 9.7417 16.0612 16.0624 18.3518 18.3529 19.0735 19.0758 19.8674 19.8687 k = 0.1737 0.5699 0.3481 ( 4111 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4339 -9.4339 -7.7089 -7.7088 -5.5499 -5.5495 -4.4563 -4.4555 -0.6530 -0.6521 1.7710 1.7719 2.3891 2.3906 2.9986 3.0021 4.7805 4.7820 5.2711 5.2717 5.7098 5.7124 6.1024 6.1044 7.5048 7.5075 8.2179 8.2219 9.0157 9.0171 9.7156 9.7170 16.1385 16.1398 18.3848 18.3858 19.0576 19.0599 19.8579 19.8587 k = 0.1613 0.5662 0.3527 ( 4113 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4549 -9.4549 -7.6847 -7.6846 -5.5102 -5.5097 -4.4659 -4.4651 -0.7173 -0.7165 1.7893 1.7902 2.3737 2.3754 2.9856 2.9891 4.8011 4.8025 5.2937 5.2945 5.7001 5.7026 6.0594 6.0612 7.5454 7.5482 8.2355 8.2399 9.0038 9.0052 9.6881 9.6895 16.2187 16.2200 18.4171 18.4181 19.0448 19.0472 19.8017 19.8035 k = 0.1489 0.5626 0.3573 ( 4111 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4747 -9.4746 -7.6628 -7.6627 -5.4674 -5.4669 -4.4779 -4.4771 -0.7799 -0.7792 1.8053 1.8062 2.3630 2.3648 2.9712 2.9746 4.8240 4.8253 5.3147 5.3156 5.6874 5.6898 6.0175 6.0192 7.5891 7.5921 8.2533 8.2579 8.9909 8.9923 9.6582 9.6597 16.3010 16.3024 18.4484 18.4494 19.0345 19.0371 19.7339 19.7361 k = 0.1365 0.5589 0.3619 ( 4108 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4931 -9.4931 -7.6432 -7.6431 -5.4218 -5.4213 -4.4925 -4.4917 -0.8402 -0.8395 1.8183 1.8192 2.3575 2.3595 2.9553 2.9586 4.8489 4.8500 5.3344 5.3354 5.6718 5.6740 5.9772 5.9786 7.6358 7.6389 8.2707 8.2756 8.9770 8.9784 9.6264 9.6280 16.3849 16.3863 18.4785 18.4793 19.0257 19.0284 19.6635 19.6660 k = 0.1241 0.5552 0.3665 ( 4106 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.5101 -9.5101 -7.6258 -7.6257 -5.3739 -5.3734 -4.5098 -4.5089 -0.8975 -0.8969 1.8279 1.8288 2.3577 2.3598 2.9378 2.9411 4.8755 4.8765 5.3529 5.3540 5.6533 5.6552 5.9387 5.9399 7.6851 7.6884 8.2870 8.2922 8.9624 8.9638 9.5931 9.5947 16.4697 16.4711 18.5068 18.5076 19.0168 19.0198 19.5939 19.5968 k = 0.1117 0.5516 0.3711 ( 4103 PWs) bands (ev): -86.9417 -86.9417 -86.9402 -86.9402 -9.5256 -9.5256 -7.6105 -7.6104 -5.3241 -5.3236 -4.5298 -4.5289 -0.9513 -0.9507 1.8341 1.8350 2.3635 2.3658 2.9189 2.9221 4.9035 4.9044 5.3705 5.3717 5.6320 5.6337 5.9022 5.9031 7.7365 7.7399 8.3017 8.3072 8.9474 8.9488 9.5590 9.5606 16.5545 16.5559 18.5331 18.5337 19.0056 19.0089 19.5286 19.5318 k = 0.0992 0.5479 0.3757 ( 4100 PWs) bands (ev): -86.9417 -86.9417 -86.9402 -86.9402 -9.5397 -9.5396 -7.5972 -7.5971 -5.2729 -5.2723 -4.5527 -4.5519 -1.0010 -1.0005 1.8371 1.8379 2.3747 2.3770 2.8985 2.9016 4.9327 4.9334 5.3871 5.3884 5.6086 5.6101 5.8678 5.8684 7.7895 7.7931 8.3139 8.3197 8.9323 8.9338 9.5247 9.5262 16.6381 16.6395 18.5570 18.5575 18.9894 18.9929 19.4714 19.4748 k = 0.0868 0.5443 0.3803 ( 4098 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5521 -9.5521 -7.5858 -7.5858 -5.2206 -5.2200 -4.5785 -4.5777 -1.0461 -1.0456 1.8375 1.8383 2.3903 2.3926 2.8769 2.8799 4.9626 4.9632 5.4023 5.4039 5.5841 5.5854 5.8355 5.8359 7.8433 7.8471 8.3229 8.3290 8.9177 8.9192 9.4910 9.4925 16.7194 16.7208 18.5784 18.5788 18.9654 18.9689 19.4262 19.4295 k = 0.0744 0.5406 0.3849 ( 4102 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5630 -9.5629 -7.5763 -7.5762 -5.1679 -5.1673 -4.6073 -4.6064 -1.0861 -1.0857 1.8361 1.8367 2.4094 2.4117 2.8544 2.8573 4.9927 4.9933 5.4153 5.4171 5.5602 5.5614 5.8053 5.8056 7.8973 7.9012 8.3279 8.3342 8.9040 8.9055 9.4589 9.4603 16.7969 16.7982 18.5973 18.5976 18.9322 18.9357 19.3949 19.3980 k = 0.0620 0.5369 0.3895 ( 4105 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5722 -9.5722 -7.5684 -7.5683 -5.1152 -5.1146 -4.6388 -4.6379 -1.1207 -1.1204 1.8334 1.8339 2.4308 2.4330 2.8316 2.8342 5.0226 5.0231 5.4238 5.4259 5.5399 5.5412 5.7773 5.7776 7.9504 7.9546 8.3282 8.3345 8.8918 8.8933 9.4292 9.4305 16.8686 16.8698 18.6138 18.6140 18.8916 18.8947 19.3769 19.3796 k = 0.0496 0.5333 0.3941 ( 4101 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5797 -9.5797 -7.5621 -7.5620 -5.0633 -5.0627 -4.6728 -4.6720 -1.1495 -1.1492 1.8303 1.8307 2.4530 2.4551 2.8092 2.8116 5.0512 5.0518 5.4245 5.4266 5.5277 5.5289 5.7517 5.7521 8.0016 8.0058 8.3233 8.3295 8.8816 8.8829 9.4031 9.4041 16.9325 16.9335 18.6283 18.6286 18.8472 18.8498 19.3691 19.3712 k = 0.0372 0.5296 0.3987 ( 4094 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5857 -9.5856 -7.5572 -7.5572 -5.0130 -5.0124 -4.7088 -4.7080 -1.1722 -1.1720 1.8273 1.8276 2.4744 2.4762 2.7883 2.7904 5.0774 5.0779 5.4162 5.4180 5.5259 5.5268 5.7292 5.7297 8.0492 8.0534 8.3134 8.3192 8.8736 8.8748 9.3814 9.3823 16.9860 16.9869 18.6414 18.6418 18.8039 18.8060 19.3675 19.3691 k = 0.0248 0.5259 0.4033 ( 4098 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5899 -9.5899 -7.5539 -7.5538 -4.9659 -4.9653 -4.7454 -4.7447 -1.1886 -1.1884 1.8249 1.8251 2.4929 2.4942 2.7708 2.7723 5.0992 5.0996 5.4035 5.4048 5.5306 5.5311 5.7110 5.7113 8.0909 8.0947 8.2999 8.3049 8.8681 8.8689 9.3652 9.3658 17.0268 17.0275 18.6537 18.6542 18.7659 18.7675 19.3688 19.3699 k = 0.0124 0.5223 0.4079 ( 4098 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5924 -9.5924 -7.5518 -7.5518 -4.9263 -4.9258 -4.7786 -4.7781 -1.1985 -1.1984 1.8233 1.8234 2.5058 2.5066 2.7589 2.7597 5.1142 5.1144 5.3928 5.3935 5.5362 5.5364 5.6987 5.6989 8.1222 8.1247 8.2871 8.2902 8.8650 8.8654 9.3552 9.3555 17.0525 17.0528 18.6652 18.6656 18.7375 18.7385 19.3707 19.3712 k = 0.0000 0.5186 0.4125 ( 4100 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5933 -9.5933 -7.5512 -7.5512 -4.9077 -4.9077 -4.7945 -4.7945 -1.2017 -1.2017 1.8228 1.8228 2.5108 2.5108 2.7549 2.7549 5.1196 5.1196 5.3889 5.3889 5.5387 5.5387 5.6943 5.6943 8.1355 8.1355 8.2823 8.2823 8.8641 8.8641 9.3519 9.3519 17.0614 17.0614 18.6713 18.6713 18.7260 18.7260 19.3716 19.3716 k = 0.0000 0.5186 0.4125 ( 4100 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5933 -9.5933 -7.5512 -7.5512 -4.9077 -4.9077 -4.7945 -4.7945 -1.2017 -1.2017 1.8228 1.8228 2.5108 2.5108 2.7549 2.7549 5.1196 5.1196 5.3889 5.3889 5.5387 5.5387 5.6943 5.6943 8.1355 8.1355 8.2823 8.2823 8.8641 8.8641 9.3519 9.3519 17.0614 17.0614 18.6713 18.6713 18.7260 18.7260 19.3716 19.3716 k = 0.0060 0.5108 0.4224 ( 4100 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5924 -9.5924 -7.5510 -7.5510 -4.9080 -4.9080 -4.7960 -4.7960 -1.2021 -1.2021 1.8189 1.8190 2.5131 2.5131 2.7540 2.7541 5.1186 5.1193 5.3718 5.3724 5.5435 5.5440 5.7107 5.7116 8.1356 8.1359 8.2828 8.2829 8.8647 8.8647 9.3521 9.3523 17.0623 17.0624 18.6711 18.6712 18.7210 18.7211 19.3741 19.3741 k = 0.0119 0.5030 0.4322 ( 4100 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5897 -9.5897 -7.5507 -7.5507 -4.9088 -4.9088 -4.8003 -4.8002 -1.2031 -1.2030 1.8075 1.8075 2.5201 2.5201 2.7513 2.7516 5.1163 5.1176 5.3294 5.3304 5.5584 5.5592 5.7527 5.7541 8.1365 8.1370 8.2843 8.2845 8.8665 8.8665 9.3530 9.3534 17.0652 17.0653 18.6706 18.6708 18.7065 18.7066 19.3811 19.3811 k = 0.0179 0.4952 0.4420 ( 4096 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5853 -9.5853 -7.5501 -7.5501 -4.9101 -4.9101 -4.8074 -4.8074 -1.2046 -1.2045 1.7888 1.7888 2.5314 2.5315 2.7468 2.7472 5.1134 5.1154 5.2743 5.2753 5.5825 5.5837 5.8080 5.8097 8.1380 8.1388 8.2868 8.2871 8.8696 8.8696 9.3544 9.3550 17.0701 17.0702 18.6698 18.6700 18.6837 18.6839 19.3911 19.3912 k = 0.0238 0.4874 0.4518 ( 4094 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5791 -9.5791 -7.5493 -7.5493 -4.9120 -4.9120 -4.8173 -4.8173 -1.2066 -1.2065 1.7632 1.7633 2.5469 2.5470 2.7400 2.7406 5.1108 5.1133 5.2136 5.2147 5.6148 5.6163 5.8691 5.8711 8.1401 8.1412 8.2903 8.2906 8.8738 8.8739 9.3563 9.3572 17.0769 17.0771 18.6541 18.6543 18.6688 18.6690 19.4023 19.4024 k = 0.0298 0.4796 0.4617 ( 4094 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5711 -9.5711 -7.5483 -7.5483 -4.9144 -4.9144 -4.8300 -4.8299 -1.2089 -1.2088 1.7315 1.7316 2.5661 2.5662 2.7308 2.7315 5.1092 5.1121 5.1512 5.1523 5.6545 5.6561 5.9325 5.9347 8.1430 8.1444 8.2947 8.2951 8.8793 8.8794 9.3588 9.3598 17.0858 17.0860 18.6193 18.6196 18.6673 18.6676 19.4127 19.4128 k = 0.0357 0.4717 0.4715 ( 4094 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5614 -9.5614 -7.5472 -7.5471 -4.9174 -4.9174 -4.8453 -4.8451 -1.2114 -1.2112 1.6942 1.6943 2.5883 2.5885 2.7188 2.7196 5.0891 5.0900 5.1094 5.1124 5.7005 5.7022 5.9965 5.9988 8.1466 8.1483 8.3000 8.3004 8.8859 8.8860 9.3616 9.3629 17.0966 17.0969 18.5809 18.5812 18.6656 18.6659 19.4204 19.4204 k = 0.0417 0.4639 0.4813 ( 4094 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5499 -9.5499 -7.5460 -7.5459 -4.9210 -4.9209 -4.8631 -4.8629 -1.2138 -1.2136 1.6520 1.6522 2.6130 2.6131 2.7039 2.7047 5.0288 5.0297 5.1113 5.1147 5.7520 5.7538 6.0598 6.0624 8.1509 8.1529 8.3061 8.3065 8.8935 8.8937 9.3648 9.3662 17.1095 17.1099 18.5401 18.5405 18.6634 18.6638 19.4239 19.4240 k = 0.0476 0.4561 0.4911 ( 4094 PWs) bands (ev): -86.9417 -86.9417 -86.9401 -86.9401 -9.5367 -9.5366 -7.5447 -7.5447 -4.9251 -4.9251 -4.8833 -4.8831 -1.2159 -1.2157 1.6056 1.6058 2.6393 2.6394 2.6857 2.6866 4.9714 4.9722 5.1157 5.1193 5.8083 5.8101 6.1220 6.1247 8.1561 8.1583 8.3128 8.3133 8.9023 8.9024 9.3682 9.3698 17.1245 17.1249 18.4979 18.4984 18.6609 18.6613 19.4226 19.4228 k = 0.0536 0.4483 0.5009 ( 4096 PWs) bands (ev): -86.9417 -86.9417 -86.9402 -86.9402 -9.5217 -9.5217 -7.5436 -7.5435 -4.9299 -4.9298 -4.9058 -4.9056 -1.2175 -1.2173 1.5557 1.5559 2.6636 2.6647 2.6667 2.6671 4.9180 4.9187 5.1225 5.1263 5.8688 5.8706 6.1823 6.1852 8.1621 8.1647 8.3203 8.3208 8.9120 8.9122 9.3717 9.3735 17.1416 17.1420 18.4553 18.4558 18.6579 18.6584 19.4164 19.4167 k = 0.0595 0.4405 0.5108 ( 4100 PWs) bands (ev): -86.9417 -86.9417 -86.9402 -86.9402 -9.5050 -9.5050 -7.5425 -7.5425 -4.9353 -4.9352 -4.9303 -4.9301 -1.2184 -1.2182 1.5029 1.5030 2.6396 2.6406 2.6929 2.6931 4.8694 4.8700 5.1317 5.1356 5.9328 5.9346 6.2405 6.2436 8.1691 8.1719 8.3283 8.3289 8.9227 8.9228 9.3751 9.3771 17.1608 17.1612 18.4129 18.4134 18.6545 18.6550 19.4057 19.4061 k = 0.0655 0.4327 0.5206 ( 4102 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4866 -9.4866 -7.5417 -7.5417 -4.9568 -4.9566 -4.9413 -4.9412 -1.2183 -1.2181 1.4476 1.4478 2.6119 2.6129 2.7181 2.7182 4.8268 4.8273 5.1433 5.1473 5.9999 6.0016 6.2963 6.2995 8.1770 8.1801 8.3368 8.3374 8.9342 8.9343 9.3783 9.3805 17.1821 17.1825 18.3713 18.3719 18.6506 18.6512 19.3911 19.3917 k = 0.0714 0.4249 0.5304 ( 4100 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4666 -9.4665 -7.5412 -7.5412 -4.9849 -4.9847 -4.9480 -4.9479 -1.2172 -1.2169 1.3905 1.3906 2.5812 2.5823 2.7407 2.7409 4.7910 4.7914 5.1571 5.1612 6.0696 6.0712 6.3494 6.3528 8.1860 8.1894 8.3457 8.3464 8.9465 8.9466 9.3812 9.3835 17.2055 17.2060 18.3309 18.3316 18.6463 18.6469 19.3735 19.3742 k = 0.0774 0.4170 0.5402 ( 4100 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4448 -9.4448 -7.5412 -7.5411 -5.0145 -5.0143 -4.9554 -4.9552 -1.2147 -1.2144 1.3318 1.3320 2.5478 2.5489 2.7597 2.7598 4.7631 4.7633 5.1730 5.1772 6.1413 6.1428 6.3997 6.4032 8.1961 8.1997 8.3550 8.3557 8.9594 8.9595 9.3836 9.3861 17.2311 17.2315 18.2921 18.2929 18.6414 18.6421 19.3537 19.3544 k = 0.0833 0.4092 0.5501 ( 4094 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.4214 -9.4213 -7.5417 -7.5416 -5.0453 -5.0451 -4.9634 -4.9633 -1.2107 -1.2104 1.2721 1.2723 2.5121 2.5131 2.7739 2.7740 4.7437 4.7439 5.1908 5.1950 6.2146 6.2160 6.4469 6.4505 8.2074 8.2112 8.3646 8.3654 8.9728 8.9729 9.3854 9.3881 17.2587 17.2591 18.2553 18.2561 18.6360 18.6368 19.3323 19.3331 k = 0.0893 0.4014 0.5599 ( 4100 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.3963 -9.3963 -7.5429 -7.5429 -5.0771 -5.0768 -4.9722 -4.9721 -1.2050 -1.2048 1.2116 1.2117 2.4742 2.4753 2.7825 2.7826 4.7337 4.7337 5.2102 5.2145 6.2889 6.2903 6.4909 6.4947 8.2199 8.2240 8.3746 8.3753 8.9867 8.9868 9.3864 9.3892 17.2882 17.2886 18.2206 18.2215 18.6302 18.6311 19.3098 19.3108 k = 0.0952 0.3936 0.5697 ( 4100 PWs) bands (ev): -86.9416 -86.9416 -86.9402 -86.9402 -9.3697 -9.3696 -7.5450 -7.5450 -5.1095 -5.1092 -4.9817 -4.9816 -1.1976 -1.1973 1.1506 1.1508 2.4347 2.4357 2.7848 2.7848 4.7332 4.7334 5.2313 5.2356 6.3639 6.3652 6.5316 6.5355 8.2337 8.2380 8.3848 8.3855 9.0008 9.0008 9.3865 9.3895 17.3197 17.3201 18.1881 18.1891 18.6240 18.6249 19.2869 19.2879 k = 0.1012 0.3858 0.5795 ( 4104 PWs) bands (ev): -86.9416 -86.9416 -86.9403 -86.9403 -9.3414 -9.3414 -7.5481 -7.5480 -5.1423 -5.1420 -4.9920 -4.9918 -1.1883 -1.1880 1.0894 1.0895 2.3938 2.3948 2.7803 2.7804 4.7426 4.7429 5.2536 5.2580 6.4390 6.4401 6.5690 6.5731 8.2488 8.2534 8.3953 8.3961 9.0150 9.0150 9.3856 9.3887 17.3529 17.3533 18.1581 18.1591 18.6174 18.6183 19.2638 19.2648 k = 0.1071 0.3780 0.5893 ( 4102 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.3116 -9.3115 -7.5524 -7.5523 -5.1751 -5.1748 -5.0030 -5.0029 -1.1771 -1.1768 1.0281 1.0282 2.3520 2.3530 2.7691 2.7691 4.7617 4.7621 5.2772 5.2815 6.5136 6.5147 6.6032 6.6073 8.2653 8.2701 8.4062 8.4069 9.0292 9.0292 9.3835 9.3867 17.3878 17.3881 18.1305 18.1316 18.6107 18.6116 19.2408 19.2418 k = 0.1131 0.3702 0.5992 ( 4100 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.2802 -9.2802 -7.5580 -7.5579 -5.2077 -5.2074 -5.0148 -5.0147 -1.1638 -1.1635 0.9669 0.9670 2.3097 2.3106 2.7513 2.7513 4.7899 4.7905 5.3018 5.3061 6.5874 6.5883 6.6340 6.6383 8.2831 8.2881 8.4174 8.4181 9.0432 9.0432 9.3800 9.3834 17.4240 17.4243 18.1054 18.1065 18.6039 18.6048 19.2181 19.2191 k = 0.1190 0.3623 0.6090 ( 4102 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.2474 -9.2473 -7.5651 -7.5650 -5.2397 -5.2394 -5.0274 -5.0272 -1.1484 -1.1481 0.9059 0.9061 2.2671 2.2680 2.7273 2.7274 4.8266 4.8274 5.3272 5.3316 6.6591 6.6597 6.6624 6.6666 8.3024 8.3075 8.4292 8.4298 9.0568 9.0568 9.3752 9.3787 17.4613 17.4615 18.0827 18.0839 18.5975 18.5983 19.1959 19.1970 k = 0.1250 0.3545 0.6188 ( 4098 PWs) bands (ev): -86.9415 -86.9415 -86.9403 -86.9403 -9.2131 -9.2130 -7.5739 -7.5738 -5.2708 -5.2705 -5.0407 -5.0405 -1.1310 -1.1307 0.8453 0.8454 2.2247 2.2256 2.6978 2.6979 4.8709 4.8717 5.3534 5.3578 6.6862 6.6905 6.7301 6.7306 8.3229 8.3282 8.4414 8.4420 9.0699 9.0699 9.3690 9.3726 17.4995 17.4996 18.0624 18.0636 18.5916 18.5924 19.1743 19.1754 k = 0.1310 0.3467 0.6286 ( 4102 PWs) bands (ev): -86.9415 -86.9415 -86.9404 -86.9404 -9.1773 -9.1772 -7.5845 -7.5844 -5.3008 -5.3005 -5.0548 -5.0546 -1.1114 -1.1111 0.7850 0.7852 2.1830 2.1838 2.6636 2.6637 4.9216 4.9226 5.3802 5.3846 6.7079 6.7123 6.7977 6.7981 8.3448 8.3502 8.4544 8.4550 9.0823 9.0823 9.3613 9.3649 17.5380 17.5380 18.0444 18.0457 18.5867 18.5874 19.1535 19.1546 k = 0.1369 0.3389 0.6385 ( 4100 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.1401 -9.1401 -7.5971 -7.5970 -5.3292 -5.3289 -5.0696 -5.0694 -1.0897 -1.0894 0.7252 0.7253 2.1421 2.1429 2.6254 2.6255 4.9777 4.9789 5.4075 5.4119 6.7270 6.7314 6.8622 6.8625 8.3679 8.3734 8.4683 8.4688 9.0938 9.0939 9.3520 9.3558 17.5763 17.5764 18.0286 18.0298 18.5833 18.5838 19.1334 19.1345 k = 0.1429 0.3311 0.6483 ( 4104 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.1016 -9.1016 -7.6118 -7.6117 -5.3560 -5.3557 -5.0852 -5.0850 -1.0659 -1.0656 0.6658 0.6659 2.1026 2.1033 2.5839 2.5841 5.0381 5.0394 5.4352 5.4396 6.7436 6.7481 6.9229 6.9231 8.3921 8.3978 8.4832 8.4836 9.1043 9.1044 9.3411 9.3450 17.6140 17.6143 18.0147 18.0160 18.5818 18.5822 19.1141 19.1152 k = 0.1488 0.3233 0.6581 ( 4108 PWs) bands (ev): -86.9414 -86.9414 -86.9404 -86.9404 -9.0618 -9.0618 -7.6288 -7.6287 -5.3807 -5.3804 -5.1014 -5.1012 -1.0400 -1.0397 0.6069 0.6070 2.0646 2.0653 2.5401 2.5402 5.1017 5.1031 5.4632 5.4675 6.7582 6.7626 6.9794 6.9794 8.4175 8.4232 8.4993 8.4996 9.1136 9.1138 9.3287 9.3327 17.6506 17.6510 18.0027 18.0040 18.5827 18.5830 19.0956 19.0968 k = 0.1548 0.3155 0.6679 ( 4110 PWs) bands (ev): -86.9414 -86.9414 -86.9405 -86.9405 -9.0208 -9.0207 -7.6482 -7.6481 -5.4032 -5.4029 -5.1184 -5.1181 -1.0121 -1.0118 0.5484 0.5485 2.0286 2.0293 2.4944 2.4946 5.1674 5.1690 5.4913 5.4956 6.7709 6.7753 7.0308 7.0310 8.4438 8.4496 8.5168 8.5170 9.1216 9.1218 9.3148 9.3189 17.6855 17.6860 17.9923 17.9936 18.5867 18.5867 19.0780 19.0791 k = 0.1607 0.3077 0.6778 ( 4112 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -8.9786 -8.9785 -7.6700 -7.6699 -5.4232 -5.4229 -5.1359 -5.1357 -0.9822 -0.9819 0.4903 0.4904 1.9948 1.9955 2.4476 2.4478 5.2342 5.2360 5.5194 5.5237 6.7824 6.7867 7.0768 7.0772 8.4710 8.4768 8.5360 8.5361 9.1280 9.1283 9.2994 9.3036 17.7180 17.7188 17.9834 17.9847 18.5939 18.5941 19.0612 19.0624 k = 0.1667 0.2998 0.6876 ( 4114 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -8.9352 -8.9351 -7.6943 -7.6942 -5.4407 -5.4404 -5.1540 -5.1538 -0.9503 -0.9501 0.4327 0.4327 1.9636 1.9641 2.4002 2.4004 5.3012 5.3031 5.5474 5.5517 6.7929 6.7971 7.1170 7.1176 8.4990 8.5048 8.5568 8.5568 9.1329 9.1332 9.2825 9.2869 17.7478 17.7487 17.9757 17.9770 18.6048 18.6053 19.0453 19.0465 k = 0.1726 0.2920 0.6974 ( 4116 PWs) bands (ev): -86.9413 -86.9413 -86.9405 -86.9405 -8.8907 -8.8906 -7.7211 -7.7210 -5.4556 -5.4553 -5.1727 -5.1725 -0.9165 -0.9163 0.3753 0.3754 1.9351 1.9356 2.3527 2.3529 5.3673 5.3694 5.5752 5.5795 6.8029 6.8071 7.1511 7.1517 8.5276 8.5334 8.5793 8.5795 9.1359 9.1363 9.2644 9.2688 17.7744 17.7755 17.9691 17.9702 18.6196 18.6205 19.0302 19.0314 k = 0.1786 0.2842 0.7072 ( 4112 PWs) bands (ev): -86.9413 -86.9413 -86.9406 -86.9406 -8.8452 -8.8451 -7.7504 -7.7503 -5.4677 -5.4674 -5.1918 -5.1915 -0.8809 -0.8807 0.3184 0.3184 1.9095 1.9100 2.3055 2.3057 5.4316 5.4339 5.6027 5.6070 6.8131 6.8171 7.1786 7.1795 8.5567 8.5626 8.6036 8.6039 9.1372 9.1375 9.2449 9.2495 17.7977 17.7990 17.9633 17.9643 18.6383 18.6394 19.0161 19.0173 k = 0.1845 0.2764 0.7170 ( 4114 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.7989 -8.7987 -7.7822 -7.7820 -5.4770 -5.4767 -5.2112 -5.2110 -0.8436 -0.8434 0.2617 0.2618 1.8872 1.8876 2.2591 2.2593 5.4933 5.4958 5.6296 5.6339 6.8237 6.8277 7.1996 7.2006 8.5863 8.5922 8.6297 8.6301 9.1364 9.1368 9.2243 9.2290 17.8176 17.8190 17.9581 17.9591 18.6603 18.6616 19.0028 19.0040 k = 0.1905 0.2686 0.7269 ( 4116 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.7516 -8.7515 -7.8163 -7.8161 -5.4835 -5.4832 -5.2310 -5.2307 -0.8045 -0.8043 0.2053 0.2054 1.8682 1.8686 2.2138 2.2139 5.5514 5.5541 5.6559 5.6601 6.8355 6.8393 7.2139 7.2151 8.6162 8.6220 8.6573 8.6578 9.1336 9.1340 9.2027 9.2075 17.8343 17.8359 17.9534 17.9542 18.6851 18.6867 18.9904 18.9916 k = 0.1964 0.2608 0.7367 ( 4118 PWs) bands (ev): -86.9412 -86.9412 -86.9406 -86.9406 -8.7036 -8.7035 -7.8526 -7.8525 -5.4874 -5.4871 -5.2509 -5.2507 -0.7638 -0.7637 0.1492 0.1493 1.8526 1.8530 2.1698 2.1700 5.6051 5.6081 5.6813 5.6854 6.8489 6.8526 7.2217 7.2231 8.6462 8.6520 8.6862 8.6869 9.1287 9.1291 9.1801 9.1850 17.8482 17.8498 17.9489 17.9497 18.7117 18.7135 18.9789 18.9802 k = 0.2024 0.2530 0.7465 ( 4120 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.6549 -8.6548 -7.8911 -7.8910 -5.4885 -5.4883 -5.2710 -5.2707 -0.7216 -0.7215 0.0934 0.0935 1.8407 1.8411 2.1276 2.1278 5.6537 5.6570 5.7057 5.7097 6.8644 6.8678 7.2232 7.2247 8.6764 8.6821 8.7161 8.7169 9.1216 9.1221 9.1568 9.1618 17.8597 17.8613 17.9447 17.9453 18.7392 18.7412 18.9684 18.9697 k = 0.2083 0.2451 0.7563 ( 4118 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.6057 -8.6056 -7.9316 -7.9314 -5.4872 -5.4869 -5.2910 -5.2907 -0.6780 -0.6778 0.0379 0.0380 1.8324 1.8328 2.0874 2.0876 5.6964 5.7002 5.7290 5.7326 6.8822 6.8855 7.2189 7.2205 8.7065 8.7121 8.7465 8.7474 9.1123 9.1129 9.1329 9.1380 17.8691 17.8707 17.9406 17.9411 18.7665 18.7687 18.9586 18.9600 k = 0.2143 0.2373 0.7662 ( 4114 PWs) bands (ev): -86.9411 -86.9411 -86.9407 -86.9407 -8.5560 -8.5558 -7.9738 -7.9737 -5.4834 -5.4831 -5.3109 -5.3106 -0.6330 -0.6328 -0.0173 -0.0172 1.8279 1.8282 2.0493 2.0495 5.7327 5.7373 5.7509 5.7540 6.9026 6.9058 7.2090 7.2108 8.7363 8.7419 8.7769 8.7779 9.1009 9.1015 9.1087 9.1139 17.8770 17.8786 17.9365 17.9368 18.7926 18.7949 18.9496 18.9511 k = 0.2202 0.2295 0.7760 ( 4114 PWs) bands (ev): -86.9411 -86.9411 -86.9408 -86.9408 -8.5059 -8.5058 -8.0177 -8.0176 -5.4774 -5.4771 -5.3305 -5.3302 -0.5866 -0.5865 -0.0721 -0.0720 1.8271 1.8274 2.0137 2.0139 5.7615 5.7678 5.7721 5.7735 6.9257 6.9287 7.1942 7.1960 8.7658 8.7713 8.8067 8.8078 9.0838 9.0870 9.0882 9.0908 17.8838 17.8852 17.9323 17.9324 18.8168 18.8191 18.9413 18.9428 k = 0.2262 0.2217 0.7858 ( 4116 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4556 -8.4555 -8.0630 -8.0629 -5.4693 -5.4690 -5.3496 -5.3494 -0.5391 -0.5390 -0.1265 -0.1265 1.8301 1.8303 1.9807 1.9809 5.7824 5.7901 5.7923 5.7926 6.9513 6.9541 7.1750 7.1770 8.7946 8.7999 8.8349 8.8363 9.0603 9.0650 9.0729 9.0739 17.8897 17.8911 17.9280 17.9281 18.8384 18.8408 18.9333 18.9349 k = 0.2321 0.2139 0.7956 ( 4116 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4053 -8.4051 -8.1096 -8.1095 -5.4592 -5.4589 -5.3683 -5.3680 -0.4905 -0.4904 -0.1805 -0.1804 1.8367 1.8370 1.9505 1.9507 5.7980 5.8049 5.8089 5.8100 6.9789 6.9815 7.1521 7.1542 8.8223 8.8275 8.8603 8.8619 9.0381 9.0429 9.0565 9.0574 17.8951 17.8963 17.9235 17.9238 18.8573 18.8596 18.9255 18.9271 k = 0.2381 0.2061 0.8054 ( 4120 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.3549 -8.3548 -8.1573 -8.1571 -5.4474 -5.4471 -5.3862 -5.3859 -0.4409 -0.4408 -0.2339 -0.2338 1.8470 1.8473 1.9233 1.9235 5.8095 5.8164 5.8205 5.8216 7.0081 7.0106 7.1262 7.1284 8.8482 8.8530 8.8801 8.8824 9.0199 9.0243 9.0395 9.0406 17.9001 17.9012 17.9190 17.9194 18.8734 18.8757 18.9174 18.9191 k = 0.2440 0.1983 0.8153 ( 4126 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3048 -8.3047 -8.2058 -8.2057 -5.4340 -5.4337 -5.4032 -5.4030 -0.3903 -0.3902 -0.2868 -0.2867 1.8610 1.8612 1.8992 1.8994 5.8168 5.8242 5.8270 5.8276 7.0382 7.0404 7.0981 7.1005 8.8706 8.8747 8.8901 8.8936 9.0096 9.0134 9.0238 9.0250 17.9050 17.9058 17.9143 17.9151 18.8869 18.8892 18.9088 18.9105 k = 0.2500 0.1905 0.8251 ( 4132 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2551 -8.2550 -8.2550 -8.2548 -5.4196 -5.4190 -5.4189 -5.4189 -0.3391 -0.3391 -0.3387 -0.3385 1.8781 1.8781 1.8787 1.8791 5.8193 5.8275 5.8290 5.8290 7.0672 7.0672 7.0697 7.0744 8.8857 8.8868 8.8868 8.8937 9.0091 9.0138 9.0146 9.0146 17.9095 17.9095 17.9099 17.9114 18.8962 18.9003 18.9011 18.9011 k = 0.2500 0.1905 0.8251 ( 4132 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2551 -8.2550 -8.2550 -8.2548 -5.4196 -5.4190 -5.4189 -5.4189 -0.3391 -0.3391 -0.3387 -0.3385 1.8781 1.8781 1.8787 1.8791 5.8193 5.8275 5.8290 5.8290 7.0672 7.0672 7.0697 7.0744 8.8857 8.8868 8.8868 8.8937 9.0091 9.0138 9.0146 9.0146 17.9095 17.9095 17.9099 17.9114 18.8962 18.9003 18.9011 18.9011 k = 0.2586 0.1970 0.8168 ( 4124 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2837 -8.2836 -8.2266 -8.2265 -5.4282 -5.4279 -5.4096 -5.4093 -0.3715 -0.3714 -0.3088 -0.3087 1.8716 1.8718 1.8915 1.8917 5.8157 5.8233 5.8257 5.8262 7.0491 7.0512 7.0886 7.0911 8.8735 8.8768 8.8911 8.8949 9.0138 9.0177 9.0200 9.0201 17.9067 17.9075 17.9112 17.9121 18.8928 18.8952 18.9052 18.9063 k = 0.2672 0.2036 0.8086 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3108 -8.3106 -8.2003 -8.2002 -5.4367 -5.4364 -5.3991 -5.3989 -0.4072 -0.4071 -0.2799 -0.2798 1.8736 1.8738 1.9081 1.9083 5.8026 5.8081 5.8184 5.8208 7.0271 7.0295 7.1119 7.1142 8.8511 8.8543 8.8933 8.8958 9.0269 9.0293 9.0325 9.0329 17.9035 17.9045 17.9104 17.9111 18.8894 18.8915 18.9098 18.9108 k = 0.2759 0.2102 0.8003 ( 4118 PWs) bands (ev): -86.9410 -86.9410 -86.9409 -86.9409 -8.3362 -8.3361 -8.1762 -8.1761 -5.4447 -5.4445 -5.3880 -5.3877 -0.4451 -0.4450 -0.2526 -0.2525 1.8838 1.8840 1.9282 1.9285 5.7792 5.7836 5.8093 5.8125 7.0030 7.0054 7.1367 7.1389 8.8244 8.8272 8.8939 8.8956 9.0403 9.0409 9.0539 9.0549 17.9002 17.9013 17.9076 17.9083 18.8871 18.8889 18.9133 18.9141 k = 0.2845 0.2167 0.7921 ( 4118 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.3600 -8.3599 -8.1543 -8.1542 -5.4523 -5.4520 -5.3763 -5.3761 -0.4844 -0.4843 -0.2268 -0.2268 1.9015 1.9018 1.9519 1.9522 5.7475 5.7515 5.7973 5.8008 6.9771 6.9796 7.1612 7.1633 8.7964 8.7987 8.8936 8.8946 9.0541 9.0542 9.0801 9.0809 17.8968 17.8981 17.9034 17.9040 18.8853 18.8871 18.9155 18.9159 k = 0.2931 0.2233 0.7838 ( 4124 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.3821 -8.3820 -8.1347 -8.1345 -5.4593 -5.4590 -5.3645 -5.3642 -0.5241 -0.5240 -0.2028 -0.2027 1.9260 1.9263 1.9792 1.9795 5.7094 5.7131 5.7819 5.7855 6.9501 6.9525 7.1839 7.1859 8.7684 8.7703 8.8928 8.8932 9.0681 9.0688 9.1093 9.1098 17.8933 17.8948 17.8983 17.8988 18.8838 18.8854 18.9161 18.9163 k = 0.3017 0.2299 0.7756 ( 4118 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4026 -8.4024 -8.1173 -8.1172 -5.4657 -5.4655 -5.3526 -5.3524 -0.5632 -0.5631 -0.1805 -0.1805 1.9565 1.9568 2.0099 2.0102 5.6661 5.6695 5.7627 5.7663 6.9223 6.9248 7.2036 7.2055 8.7413 8.7429 8.8916 8.8917 9.0827 9.0836 9.1406 9.1409 17.8900 17.8913 17.8927 17.8932 18.8818 18.8834 18.9153 18.9154 k = 0.3103 0.2364 0.7673 ( 4118 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4213 -8.4212 -8.1024 -8.1023 -5.4715 -5.4713 -5.3409 -5.3407 -0.6008 -0.6007 -0.1600 -0.1600 1.9922 1.9925 2.0440 2.0443 5.6187 5.6219 5.7397 5.7432 6.8943 6.8967 7.2192 7.2210 8.7156 8.7169 8.8901 8.8903 9.0975 9.0986 9.1734 9.1736 17.8865 17.8868 17.8873 17.8888 18.8790 18.8805 18.9130 18.9134 k = 0.3190 0.2430 0.7590 ( 4112 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4383 -8.4382 -8.0898 -8.0896 -5.4767 -5.4765 -5.3298 -5.3296 -0.6360 -0.6359 -0.1414 -0.1414 2.0325 2.0328 2.0813 2.0816 5.5681 5.5712 5.7128 5.7162 6.8665 6.8688 7.2300 7.2319 8.6915 8.6926 8.8883 8.8887 9.1123 9.1137 9.2075 9.2075 17.8817 17.8819 17.8836 17.8856 18.8748 18.8764 18.9097 18.9103 k = 0.3276 0.2496 0.7508 ( 4113 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4535 -8.4534 -8.0795 -8.0794 -5.4812 -5.4810 -5.3194 -5.3192 -0.6680 -0.6680 -0.1246 -0.1246 2.0767 2.0770 2.1216 2.1220 5.5151 5.5181 5.6820 5.6852 6.8391 6.8413 7.2357 7.2375 8.6693 8.6701 8.8861 8.8867 9.1272 9.1286 9.2422 9.2424 17.8774 17.8777 17.8806 17.8827 18.8690 18.8705 18.9054 18.9063 k = 0.3362 0.2561 0.7425 ( 4113 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4670 -8.4669 -8.0717 -8.0716 -5.4850 -5.4848 -5.3101 -5.3099 -0.6961 -0.6960 -0.1096 -0.1096 2.1240 2.1243 2.1647 2.1651 5.4604 5.4632 5.6476 5.6506 6.8124 6.8144 7.2359 7.2377 8.6489 8.6495 8.8835 8.8842 9.1420 9.1435 9.2772 9.2775 17.8743 17.8748 17.8777 17.8799 18.8611 18.8625 18.9006 18.9015 k = 0.3448 0.2627 0.7343 ( 4109 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4787 -8.4786 -8.0662 -8.0661 -5.4882 -5.4880 -5.3020 -5.3018 -0.7196 -0.7195 -0.0964 -0.0964 2.1739 2.1742 2.2102 2.2106 5.4046 5.4074 5.6096 5.6124 6.7866 6.7884 7.2306 7.2325 8.6305 8.6309 8.8802 8.8811 9.1567 9.1582 9.3120 9.3124 17.8728 17.8734 17.8749 17.8771 18.8509 18.8523 18.8953 18.8964 k = 0.3534 0.2693 0.7260 ( 4109 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4886 -8.4885 -8.0631 -8.0630 -5.4905 -5.4904 -5.2953 -5.2952 -0.7378 -0.7378 -0.0849 -0.0849 2.2258 2.2261 2.2579 2.2583 5.3484 5.3510 5.5686 5.5712 6.7617 6.7633 7.2200 7.2218 8.6142 8.6144 8.8762 8.8771 9.1714 9.1729 9.3461 9.3467 17.8720 17.8729 17.8739 17.8746 18.8383 18.8397 18.8899 18.8911 k = 0.3621 0.2758 0.7178 ( 4103 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4967 -8.4966 -8.0624 -8.0623 -5.4922 -5.4920 -5.2904 -5.2902 -0.7504 -0.7503 -0.0751 -0.0750 2.2791 2.2794 2.3073 2.3078 5.2921 5.2947 5.5249 5.5272 6.7378 6.7392 7.2041 7.2060 8.5998 8.5998 8.8712 8.8721 9.1860 9.1875 9.3791 9.3796 17.8693 17.8717 17.8754 17.8763 18.8232 18.8245 18.8845 18.8858 k = 0.3707 0.2824 0.7095 ( 4105 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5030 -8.5029 -8.0640 -8.0639 -5.4930 -5.4928 -5.2872 -5.2870 -0.7568 -0.7568 -0.0668 -0.0667 2.3332 2.3335 2.3581 2.3586 5.2365 5.2389 5.4789 5.4809 6.7148 6.7160 7.1833 7.1852 8.5872 8.5873 8.8652 8.8661 9.2006 9.2020 9.4102 9.4109 17.8664 17.8689 17.8796 17.8807 18.8056 18.8069 18.8794 18.8807 k = 0.3793 0.2890 0.7012 ( 4105 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5075 -8.5074 -8.0681 -8.0680 -5.4931 -5.4929 -5.2858 -5.2857 -0.7569 -0.7568 -0.0599 -0.0598 2.3876 2.3879 2.4098 2.4103 5.1819 5.1843 5.4311 5.4329 6.6927 6.6937 7.1578 7.1597 8.5766 8.5768 8.8579 8.8588 9.2153 9.2166 9.4392 9.4398 17.8635 17.8660 17.8859 17.8872 18.7857 18.7871 18.8744 18.8758 k = 0.3879 0.2955 0.6930 ( 4101 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5101 -8.5100 -8.0745 -8.0744 -5.4923 -5.4922 -5.2864 -5.2863 -0.7502 -0.7501 -0.0545 -0.0544 2.4418 2.4420 2.4618 2.4623 5.1291 5.1314 5.3822 5.3836 6.6714 6.6721 7.1279 7.1298 8.5679 8.5682 8.8493 8.8502 9.2300 9.2313 9.4654 9.4661 17.8603 17.8629 17.8939 17.8954 18.7639 18.7653 18.8699 18.8713 k = 0.3966 0.3021 0.6847 ( 4097 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5109 -8.5108 -8.0833 -8.0832 -5.4907 -5.4906 -5.2889 -5.2888 -0.7367 -0.7366 -0.0504 -0.0503 2.4952 2.4954 2.5136 2.5142 5.0784 5.0808 5.3326 5.3338 6.6509 6.6514 7.0940 7.0959 8.5610 8.5614 8.8392 8.8401 9.2449 9.2461 9.4885 9.4892 17.8567 17.8593 17.9034 17.9051 18.7407 18.7421 18.8656 18.8671 k = 0.4052 0.3087 0.6765 ( 4093 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5098 -8.5098 -8.0945 -8.0944 -5.4883 -5.4882 -5.2932 -5.2931 -0.7164 -0.7163 -0.0476 -0.0474 2.5473 2.5474 2.5647 2.5653 5.0307 5.0330 5.2829 5.2838 6.6311 6.6313 7.0563 7.0582 8.5560 8.5564 8.8277 8.8284 9.2600 9.2611 9.5081 9.5088 17.8527 17.8554 17.9137 17.9156 18.7169 18.7184 18.8617 18.8631 k = 0.4138 0.3152 0.6682 ( 4097 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5069 -8.5068 -8.1080 -8.1080 -5.4851 -5.4850 -5.2993 -5.2992 -0.6892 -0.6891 -0.0459 -0.0458 2.5975 2.5976 2.6144 2.6151 4.9863 4.9886 5.2337 5.2343 6.6120 6.6120 7.0152 7.0171 8.5527 8.5532 8.8145 8.8152 9.2754 9.2763 9.5239 9.5247 17.8482 17.8508 17.9240 17.9260 18.6935 18.6950 18.8579 18.8593 k = 0.4224 0.3218 0.6600 ( 4098 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.5021 -8.5021 -8.1240 -8.1240 -5.4810 -5.4809 -5.3069 -5.3068 -0.6552 -0.6551 -0.0454 -0.0452 2.6453 2.6454 2.6621 2.6627 4.9461 4.9483 5.1855 5.1858 6.5933 6.5935 6.9709 6.9728 8.5511 8.5516 8.7996 8.8002 9.2911 9.2919 9.5357 9.5364 17.8429 17.8455 17.9331 17.9353 18.6718 18.6734 18.8541 18.8555 k = 0.4310 0.3284 0.6517 ( 4098 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4954 -8.4954 -8.1423 -8.1423 -5.4761 -5.4760 -5.3159 -5.3158 -0.6145 -0.6144 -0.0459 -0.0458 2.6903 2.6903 2.7069 2.7076 4.9107 4.9129 5.1388 5.1389 6.5753 6.5757 6.9237 6.9256 8.5511 8.5516 8.7831 8.7837 9.3072 9.3078 9.5432 9.5439 17.8368 17.8394 17.9394 17.9418 18.6536 18.6552 18.8502 18.8516 k = 0.4397 0.3349 0.6435 ( 4097 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4869 -8.4869 -8.1631 -8.1631 -5.4703 -5.4702 -5.3260 -5.3260 -0.5675 -0.5674 -0.0475 -0.0474 2.7317 2.7319 2.7483 2.7491 4.8806 4.8828 5.0940 5.0942 6.5581 6.5587 6.8738 6.8757 8.5527 8.5532 8.7650 8.7654 9.3237 9.3242 9.5464 9.5471 17.8298 17.8323 17.9413 17.9437 18.6408 18.6424 18.8460 18.8473 k = 0.4483 0.3415 0.6352 ( 4095 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4765 -8.4764 -8.1862 -8.1862 -5.4637 -5.4635 -5.3370 -5.3370 -0.5144 -0.5142 -0.0502 -0.0500 2.7693 2.7695 2.7856 2.7863 4.8566 4.8588 5.0515 5.0520 6.5416 6.5425 6.8215 6.8233 8.5557 8.5562 8.7452 8.7455 9.3406 9.3410 9.5452 9.5458 17.8216 17.8241 17.9368 17.9393 18.6354 18.6370 18.8413 18.8425 k = 0.4569 0.3481 0.6269 ( 4093 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4642 -8.4642 -8.2118 -8.2118 -5.4562 -5.4561 -5.3486 -5.3486 -0.4554 -0.4552 -0.0538 -0.0536 2.8026 2.8029 2.8181 2.8189 4.8393 4.8414 5.0119 5.0127 6.5262 6.5272 6.7669 6.7688 8.5601 8.5605 8.7238 8.7240 9.3580 9.3583 9.5396 9.5402 17.8123 17.8147 17.9245 17.9270 18.6390 18.6404 18.8359 18.8371 k = 0.4655 0.3546 0.6187 ( 4093 PWs) bands (ev): -86.9410 -86.9410 -86.9408 -86.9408 -8.4500 -8.4500 -8.2397 -8.2397 -5.4478 -5.4477 -5.3605 -5.3605 -0.3909 -0.3908 -0.0584 -0.0582 2.8313 2.8316 2.8453 2.8461 4.8290 4.8311 4.9754 4.9764 6.5117 6.5129 6.7104 6.7122 8.5657 8.5661 8.7009 8.7010 9.3759 9.3761 9.5297 9.5303 17.8015 17.8038 17.9035 17.9059 18.6524 18.6537 18.8297 18.8308 k = 0.4741 0.3612 0.6104 ( 4095 PWs) bands (ev): -86.9410 -86.9410 -86.9409 -86.9409 -8.4340 -8.4339 -8.2700 -8.2699 -5.4387 -5.4386 -5.3725 -5.3725 -0.3214 -0.3213 -0.0640 -0.0638 2.8550 2.8554 2.8669 2.8676 4.8262 4.8282 4.9422 4.9435 6.4985 6.4998 6.6519 6.6537 8.5723 8.5727 8.6765 8.6766 9.3942 9.3943 9.5157 9.5162 17.7892 17.7914 17.8738 17.8762 18.6757 18.6768 18.8226 18.8236 k = 0.4828 0.3678 0.6022 ( 4099 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4160 -8.4160 -8.3025 -8.3025 -5.4286 -5.4285 -5.3843 -5.3842 -0.2472 -0.2471 -0.0706 -0.0704 2.8736 2.8742 2.8825 2.8832 4.8309 4.8330 4.9125 4.9140 6.4866 6.4880 6.5918 6.5936 8.5798 8.5801 8.6510 8.6510 9.4130 9.4130 9.4978 9.4982 17.7752 17.7773 17.8362 17.8384 18.7081 18.7090 18.8145 18.8153 k = 0.4914 0.3743 0.5939 ( 4092 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3962 -8.3961 -8.3374 -8.3374 -5.4178 -5.4177 -5.3956 -5.3955 -0.1689 -0.1687 -0.0782 -0.0779 2.8872 2.8878 2.8922 2.8929 4.8432 4.8452 4.8862 4.8879 6.4761 6.4777 6.5302 6.5319 8.5879 8.5881 8.6243 8.6243 9.4321 9.4322 9.4763 9.4767 17.7594 17.7613 17.7918 17.7938 18.7483 18.7490 18.8052 18.8059 k = 0.5000 0.3809 0.5857 ( 4096 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3745 -8.3745 -8.3743 -8.3743 -5.4063 -5.4063 -5.4058 -5.4058 -0.0868 -0.0868 -0.0866 -0.0866 2.8955 2.8955 2.8971 2.8971 4.8616 4.8616 4.8664 4.8664 6.4669 6.4669 6.4692 6.4692 8.5943 8.5943 8.5986 8.5986 9.4503 9.4503 9.4532 9.4532 17.7411 17.7411 17.7441 17.7441 18.7935 18.7935 18.7967 18.7967 k = 0.5000 0.3809 0.5857 ( 4096 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3745 -8.3745 -8.3743 -8.3743 -5.4063 -5.4063 -5.4058 -5.4058 -0.0868 -0.0868 -0.0866 -0.0866 2.8955 2.8955 2.8971 2.8971 4.8616 4.8616 4.8664 4.8664 6.4669 6.4669 6.4692 6.4692 8.5943 8.5943 8.5986 8.5986 9.4503 9.4503 9.4532 9.4532 17.7411 17.7411 17.7441 17.7441 18.7935 18.7935 18.7967 18.7967 k = 0.5000 0.3809 0.5717 ( 4092 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.3880 -8.3880 -8.3878 -8.3878 -5.4042 -5.4042 -5.4037 -5.4037 -0.0231 -0.0231 -0.0229 -0.0229 2.9016 2.9016 2.9033 2.9033 4.8628 4.8628 4.8677 4.8677 6.4069 6.4069 6.4094 6.4094 8.5772 8.5772 8.5817 8.5817 9.4445 9.4445 9.4476 9.4476 17.6768 17.6768 17.6797 17.6797 18.8282 18.8282 18.8312 18.8312 k = 0.5000 0.3809 0.5578 ( 4092 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4021 -8.4021 -8.4019 -8.4019 -5.4008 -5.4008 -5.4003 -5.4003 0.0415 0.0415 0.0418 0.0418 2.9077 2.9077 2.9094 2.9094 4.8634 4.8634 4.8684 4.8684 6.3486 6.3486 6.3512 6.3512 8.5594 8.5594 8.5639 8.5639 9.4381 9.4381 9.4413 9.4413 17.6053 17.6053 17.6081 17.6081 18.8662 18.8662 18.8690 18.8690 k = 0.5000 0.3809 0.5438 ( 4092 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4169 -8.4169 -8.4167 -8.4167 -5.3962 -5.3962 -5.3957 -5.3957 0.1068 0.1068 0.1071 0.1071 2.9136 2.9136 2.9155 2.9155 4.8634 4.8634 4.8684 4.8684 6.2927 6.2927 6.2953 6.2953 8.5408 8.5408 8.5455 8.5455 9.4310 9.4310 9.4343 9.4343 17.5283 17.5283 17.5311 17.5311 18.9053 18.9053 18.9080 18.9080 k = 0.5000 0.3809 0.5299 ( 4090 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4323 -8.4323 -8.4321 -8.4321 -5.3903 -5.3903 -5.3898 -5.3898 0.1723 0.1723 0.1726 0.1726 2.9195 2.9195 2.9215 2.9215 4.8625 4.8625 4.8677 4.8677 6.2395 6.2395 6.2422 6.2422 8.5216 8.5216 8.5263 8.5263 9.4234 9.4234 9.4267 9.4267 17.4471 17.4471 17.4497 17.4497 18.9435 18.9435 18.9462 18.9462 k = 0.5000 0.3809 0.5159 ( 4086 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4483 -8.4483 -8.4481 -8.4481 -5.3831 -5.3831 -5.3826 -5.3826 0.2376 0.2376 0.2379 0.2379 2.9253 2.9253 2.9274 2.9274 4.8607 4.8607 4.8660 4.8660 6.1899 6.1899 6.1926 6.1926 8.5017 8.5017 8.5065 8.5065 9.4151 9.4151 9.4185 9.4185 17.3627 17.3627 17.3653 17.3653 18.9792 18.9792 18.9819 18.9819 k = 0.5000 0.3809 0.5020 ( 4098 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4648 -8.4648 -8.4646 -8.4646 -5.3745 -5.3745 -5.3740 -5.3740 0.3022 0.3022 0.3026 0.3026 2.9310 2.9310 2.9333 2.9333 4.8579 4.8579 4.8633 4.8633 6.1442 6.1442 6.1470 6.1470 8.4812 8.4812 8.4861 8.4861 9.4062 9.4062 9.4097 9.4097 17.2759 17.2759 17.2784 17.2784 19.0108 19.0108 19.0135 19.0135 k = 0.5000 0.3809 0.4881 ( 4098 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4818 -8.4818 -8.4816 -8.4816 -5.3646 -5.3646 -5.3641 -5.3641 0.3657 0.3657 0.3661 0.3661 2.9367 2.9367 2.9391 2.9391 4.8541 4.8541 4.8595 4.8595 6.1030 6.1030 6.1058 6.1058 8.4601 8.4601 8.4651 8.4651 9.3967 9.3967 9.4003 9.4003 17.1876 17.1876 17.1901 17.1901 19.0366 19.0366 19.0395 19.0395 k = 0.5000 0.3809 0.4741 ( 4102 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.4993 -8.4993 -8.4991 -8.4991 -5.3532 -5.3532 -5.3527 -5.3527 0.4276 0.4276 0.4281 0.4281 2.9425 2.9425 2.9451 2.9451 4.8493 4.8493 4.8547 4.8547 6.0668 6.0668 6.0695 6.0695 8.4385 8.4385 8.4436 8.4436 9.3867 9.3867 9.3903 9.3903 17.0983 17.0983 17.1007 17.1007 19.0554 19.0554 19.0584 19.0584 k = 0.5000 0.3809 0.4602 ( 4102 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.5171 -8.5171 -8.5169 -8.5169 -5.3405 -5.3405 -5.3400 -5.3400 0.4874 0.4874 0.4879 0.4879 2.9486 2.9486 2.9512 2.9512 4.8434 4.8434 4.8488 4.8488 6.0358 6.0358 6.0385 6.0385 8.4164 8.4164 8.4215 8.4215 9.3761 9.3761 9.3798 9.3798 17.0086 17.0086 17.0109 17.0109 19.0658 19.0658 19.0689 19.0689 k = 0.5000 0.3809 0.4462 ( 4110 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.5352 -8.5352 -8.5350 -8.5350 -5.3264 -5.3264 -5.3259 -5.3259 0.5446 0.5446 0.5451 0.5451 2.9549 2.9549 2.9577 2.9577 4.8366 4.8366 4.8420 4.8420 6.0103 6.0103 6.0129 6.0129 8.3937 8.3937 8.3989 8.3989 9.3650 9.3650 9.3687 9.3687 16.9189 16.9189 16.9211 16.9211 19.0667 19.0667 19.0699 19.0699 k = 0.5000 0.3809 0.4323 ( 4114 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.5536 -8.5536 -8.5534 -8.5534 -5.3110 -5.3110 -5.3105 -5.3105 0.5986 0.5986 0.5993 0.5993 2.9619 2.9619 2.9648 2.9648 4.8290 4.8290 4.8344 4.8344 5.9904 5.9904 5.9929 5.9929 8.3705 8.3705 8.3757 8.3757 9.3534 9.3534 9.3571 9.3571 16.8297 16.8297 16.8318 16.8318 19.0570 19.0570 19.0603 19.0603 k = 0.5000 0.3809 0.4183 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.5722 -8.5722 -8.5720 -8.5720 -5.2943 -5.2943 -5.2938 -5.2938 0.6491 0.6491 0.6498 0.6498 2.9695 2.9695 2.9726 2.9726 4.8209 4.8209 4.8261 4.8261 5.9762 5.9762 5.9786 5.9786 8.3469 8.3469 8.3521 8.3521 9.3413 9.3413 9.3451 9.3451 16.7414 16.7414 16.7434 16.7434 19.0362 19.0362 19.0396 19.0396 k = 0.5000 0.3809 0.4044 ( 4124 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.5910 -8.5910 -8.5908 -8.5908 -5.2764 -5.2764 -5.2759 -5.2759 0.6955 0.6955 0.6962 0.6962 2.9782 2.9782 2.9814 2.9814 4.8125 4.8125 4.8176 4.8176 5.9678 5.9678 5.9699 5.9699 8.3227 8.3227 8.3281 8.3281 9.3288 9.3288 9.3325 9.3325 16.6542 16.6542 16.6562 16.6562 19.0040 19.0040 19.0075 19.0075 k = 0.5000 0.3809 0.3904 ( 4124 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.6097 -8.6097 -8.6096 -8.6096 -5.2573 -5.2573 -5.2568 -5.2568 0.7374 0.7374 0.7382 0.7382 2.9880 2.9880 2.9914 2.9914 4.8040 4.8040 4.8090 4.8090 5.9648 5.9648 5.9667 5.9667 8.2981 8.2981 8.3035 8.3035 9.3158 9.3158 9.3195 9.3195 16.5686 16.5686 16.5705 16.5705 18.9606 18.9606 18.9640 18.9640 k = 0.5000 0.3809 0.3765 ( 4116 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.6285 -8.6285 -8.6283 -8.6283 -5.2371 -5.2371 -5.2367 -5.2367 0.7743 0.7743 0.7751 0.7751 2.9994 2.9994 3.0028 3.0028 4.7958 4.7958 4.8006 4.8006 5.9672 5.9672 5.9689 5.9689 8.2731 8.2731 8.2785 8.2785 9.3023 9.3023 9.3061 9.3061 16.4849 16.4849 16.4867 16.4867 18.9064 18.9064 18.9098 18.9098 k = 0.5000 0.3809 0.3626 ( 4114 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.6472 -8.6472 -8.6471 -8.6471 -5.2160 -5.2160 -5.2155 -5.2155 0.8060 0.8060 0.8069 0.8069 3.0123 3.0123 3.0158 3.0158 4.7881 4.7881 4.7927 4.7927 5.9747 5.9747 5.9762 5.9762 8.2476 8.2476 8.2530 8.2530 9.2885 9.2885 9.2922 9.2922 16.4035 16.4035 16.4052 16.4052 18.8423 18.8423 18.8456 18.8456 k = 0.5000 0.3809 0.3486 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.6658 -8.6658 -8.6657 -8.6657 -5.1939 -5.1939 -5.1934 -5.1934 0.8322 0.8322 0.8331 0.8331 3.0271 3.0271 3.0307 3.0307 4.7811 4.7811 4.7856 4.7856 5.9870 5.9870 5.9884 5.9884 8.2216 8.2216 8.2271 8.2271 9.2742 9.2742 9.2780 9.2780 16.3245 16.3245 16.3262 16.3262 18.7694 18.7694 18.7725 18.7725 k = 0.5000 0.3809 0.3347 ( 4124 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.6842 -8.6842 -8.6841 -8.6841 -5.1710 -5.1710 -5.1706 -5.1706 0.8528 0.8528 0.8538 0.8538 3.0438 3.0438 3.0474 3.0474 4.7752 4.7752 4.7794 4.7794 6.0039 6.0039 6.0051 6.0051 8.1952 8.1952 8.2007 8.2007 9.2596 9.2596 9.2633 9.2633 16.2484 16.2484 16.2500 16.2500 18.6888 18.6888 18.6917 18.6917 k = 0.5000 0.3809 0.3207 ( 4124 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.7024 -8.7024 -8.7022 -8.7022 -5.1475 -5.1475 -5.1470 -5.1470 0.8678 0.8678 0.8688 0.8688 3.0624 3.0624 3.0661 3.0661 4.7704 4.7704 4.7744 4.7744 6.0250 6.0250 6.0262 6.0262 8.1683 8.1683 8.1738 8.1738 9.2445 9.2445 9.2482 9.2482 16.1754 16.1754 16.1769 16.1769 18.6016 18.6016 18.6043 18.6043 k = 0.5000 0.3809 0.3068 ( 4122 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.7202 -8.7202 -8.7201 -8.7201 -5.1233 -5.1233 -5.1229 -5.1229 0.8773 0.8773 0.8783 0.8783 3.0828 3.0828 3.0866 3.0866 4.7668 4.7668 4.7707 4.7707 6.0502 6.0502 6.0514 6.0514 8.1409 8.1409 8.1465 8.1465 9.2292 9.2292 9.2328 9.2328 16.1057 16.1057 16.1071 16.1071 18.5089 18.5089 18.5115 18.5115 k = 0.5000 0.3809 0.2928 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.7377 -8.7377 -8.7375 -8.7375 -5.0988 -5.0988 -5.0983 -5.0983 0.8815 0.8815 0.8824 0.8824 3.1051 3.1051 3.1088 3.1088 4.7646 4.7646 4.7683 4.7683 6.0791 6.0791 6.0804 6.0804 8.1131 8.1131 8.1187 8.1187 9.2135 9.2135 9.2171 9.2171 16.0396 16.0396 16.0410 16.0410 18.4118 18.4118 18.4142 18.4142 k = 0.5000 0.3809 0.2789 ( 4114 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.7547 -8.7547 -8.7545 -8.7545 -5.0738 -5.0738 -5.0734 -5.0734 0.8807 0.8807 0.8816 0.8816 3.1288 3.1288 3.1325 3.1325 4.7637 4.7637 4.7672 4.7672 6.1114 6.1114 6.1129 6.1129 8.0848 8.0848 8.0904 8.0904 9.1974 9.1974 9.2010 9.2010 15.9774 15.9774 15.9787 15.9787 18.3112 18.3112 18.3134 18.3134 k = 0.5000 0.3809 0.2649 ( 4114 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.7712 -8.7712 -8.7711 -8.7711 -5.0488 -5.0488 -5.0484 -5.0484 0.8753 0.8753 0.8762 0.8762 3.1539 3.1539 3.1575 3.1575 4.7641 4.7641 4.7675 4.7675 6.1470 6.1470 6.1486 6.1486 8.0559 8.0559 8.0616 8.0616 9.1811 9.1811 9.1846 9.1846 15.9192 15.9192 15.9204 15.9204 18.2080 18.2080 18.2100 18.2100 k = 0.5000 0.3809 0.2510 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.7872 -8.7872 -8.7871 -8.7871 -5.0236 -5.0236 -5.0233 -5.0233 0.8658 0.8658 0.8667 0.8667 3.1798 3.1798 3.1834 3.1834 4.7659 4.7659 4.7690 4.7690 6.1854 6.1854 6.1873 6.1873 8.0266 8.0266 8.0323 8.0323 9.1646 9.1646 9.1680 9.1680 15.8653 15.8653 15.8665 15.8665 18.1030 18.1030 18.1049 18.1049 k = 0.5000 0.3809 0.2371 ( 4108 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8026 -8.8026 -8.8025 -8.8025 -4.9986 -4.9986 -4.9983 -4.9983 0.8528 0.8528 0.8537 0.8537 3.2064 3.2064 3.2100 3.2100 4.7688 4.7688 4.7717 4.7717 6.2266 6.2266 6.2287 6.2287 7.9968 7.9968 8.0025 8.0025 9.1478 9.1478 9.1512 9.1512 15.8159 15.8159 15.8170 15.8170 17.9970 17.9970 17.9988 17.9988 k = 0.5000 0.3809 0.2231 ( 4112 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8174 -8.8174 -8.8173 -8.8173 -4.9739 -4.9739 -4.9735 -4.9735 0.8367 0.8367 0.8376 0.8376 3.2333 3.2333 3.2367 3.2367 4.7728 4.7728 4.7755 4.7755 6.2702 6.2702 6.2726 6.2726 7.9664 7.9664 7.9721 7.9721 9.1309 9.1309 9.1342 9.1342 15.7710 15.7710 15.7721 15.7721 17.8908 17.8908 17.8924 17.8924 k = 0.5000 0.3809 0.2092 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8315 -8.8315 -8.8314 -8.8314 -4.9495 -4.9495 -4.9492 -4.9492 0.8183 0.8183 0.8191 0.8191 3.2601 3.2601 3.2634 3.2634 4.7777 4.7777 4.7803 4.7803 6.3159 6.3159 6.3185 6.3185 7.9355 7.9355 7.9413 7.9413 9.1140 9.1140 9.1172 9.1172 15.7309 15.7309 15.7319 15.7319 17.7850 17.7850 17.7865 17.7865 k = 0.5000 0.3809 0.1952 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8449 -8.8449 -8.8448 -8.8448 -4.9258 -4.9258 -4.9255 -4.9255 0.7979 0.7979 0.7987 0.7987 3.2865 3.2865 3.2896 3.2896 4.7834 4.7834 4.7858 4.7858 6.3634 6.3634 6.3662 6.3662 7.9042 7.9042 7.9099 7.9099 9.0971 9.0971 9.1002 9.1002 15.6956 15.6956 15.6965 15.6965 17.6803 17.6803 17.6817 17.6817 k = 0.5000 0.3809 0.1813 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8575 -8.8575 -8.8574 -8.8574 -4.9028 -4.9028 -4.9025 -4.9025 0.7763 0.7763 0.7771 0.7771 3.3121 3.3121 3.3151 3.3151 4.7898 4.7898 4.7920 4.7920 6.4124 6.4124 6.4154 6.4154 7.8723 7.8723 7.8780 7.8780 9.0803 9.0803 9.0833 9.0833 15.6650 15.6650 15.6659 15.6659 17.5774 17.5774 17.5787 17.5787 k = 0.5000 0.3809 0.1673 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8694 -8.8694 -8.8693 -8.8693 -4.8806 -4.8806 -4.8804 -4.8804 0.7540 0.7540 0.7547 0.7547 3.3367 3.3367 3.3395 3.3395 4.7966 4.7966 4.7986 4.7986 6.4625 6.4625 6.4656 6.4656 7.8400 7.8400 7.8457 7.8457 9.0638 9.0638 9.0666 9.0666 15.6392 15.6392 15.6401 15.6401 17.4770 17.4770 17.4781 17.4781 k = 0.5000 0.3809 0.1534 ( 4096 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8804 -8.8804 -8.8803 -8.8803 -4.8596 -4.8596 -4.8593 -4.8593 0.7315 0.7315 0.7321 0.7321 3.3600 3.3600 3.3626 3.3626 4.8037 4.8037 4.8056 4.8056 6.5133 6.5133 6.5166 6.5166 7.8073 7.8073 7.8129 7.8129 9.0477 9.0477 9.0503 9.0503 15.6182 15.6182 15.6189 15.6189 17.3797 17.3797 17.3808 17.3808 k = 0.5000 0.3809 0.1394 ( 4100 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8905 -8.8905 -8.8905 -8.8905 -4.8397 -4.8397 -4.8395 -4.8395 0.7092 0.7092 0.7098 0.7098 3.3819 3.3819 3.3843 3.3843 4.8109 4.8109 4.8126 4.8126 6.5644 6.5644 6.5679 6.5679 7.7743 7.7743 7.7799 7.7799 9.0321 9.0321 9.0346 9.0346 15.6016 15.6016 15.6023 15.6023 17.2864 17.2864 17.2874 17.2874 k = 0.5000 0.3809 0.1255 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.8998 -8.8998 -8.8997 -8.8997 -4.8212 -4.8212 -4.8210 -4.8210 0.6876 0.6876 0.6882 0.6882 3.4021 3.4021 3.4043 3.4043 4.8181 4.8181 4.8196 4.8196 6.6153 6.6153 6.6188 6.6188 7.7412 7.7412 7.7467 7.7467 9.0173 9.0173 9.0196 9.0196 15.5893 15.5893 15.5899 15.5899 17.1977 17.1977 17.1986 17.1986 k = 0.5000 0.3809 0.1116 ( 4108 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9082 -8.9082 -8.9081 -8.9081 -4.8042 -4.8042 -4.8040 -4.8040 0.6672 0.6672 0.6677 0.6677 3.4204 3.4204 3.4224 3.4224 4.8250 4.8250 4.8264 4.8264 6.6654 6.6654 6.6690 6.6690 7.7083 7.7083 7.7135 7.7135 9.0034 9.0034 9.0055 9.0055 15.5809 15.5809 15.5815 15.5815 17.1145 17.1145 17.1153 17.1153 k = 0.5000 0.3809 0.0976 ( 4110 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9156 -8.9156 -8.9155 -8.9155 -4.7889 -4.7889 -4.7887 -4.7887 0.6483 0.6483 0.6487 0.6487 3.4369 3.4369 3.4386 3.4386 4.8316 4.8316 4.8327 4.8327 6.7141 6.7141 6.7177 6.7177 7.6757 7.6757 7.6808 7.6808 8.9905 8.9905 8.9924 8.9924 15.5760 15.5760 15.5765 15.5765 17.0376 17.0376 17.0384 17.0384 k = 0.5000 0.3809 0.0837 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9221 -8.9221 -8.9220 -8.9220 -4.7753 -4.7753 -4.7751 -4.7751 0.6313 0.6313 0.6316 0.6316 3.4513 3.4513 3.4528 3.4528 4.8376 4.8376 4.8386 4.8386 6.7605 6.7605 6.7640 6.7640 7.6441 7.6441 7.6489 7.6489 8.9789 8.9789 8.9806 8.9806 15.5740 15.5740 15.5744 15.5744 16.9680 16.9680 16.9687 16.9687 k = 0.5000 0.3809 0.0697 ( 4110 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9276 -8.9276 -8.9275 -8.9275 -4.7636 -4.7636 -4.7634 -4.7634 0.6164 0.6164 0.6166 0.6166 3.4636 3.4636 3.4649 3.4649 4.8429 4.8429 4.8437 4.8437 6.8037 6.8037 6.8070 6.8070 7.6142 7.6142 7.6186 7.6186 8.9688 8.9688 8.9702 8.9702 15.5742 15.5742 15.5746 15.5746 16.9067 16.9067 16.9072 16.9072 k = 0.5000 0.3809 0.0558 ( 4122 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9321 -8.9321 -8.9321 -8.9321 -4.7538 -4.7538 -4.7537 -4.7537 0.6038 0.6038 0.6040 0.6040 3.4738 3.4738 3.4748 3.4748 4.8475 4.8475 4.8481 4.8481 6.8425 6.8425 6.8454 6.8454 7.5869 7.5869 7.5907 7.5907 8.9603 8.9603 8.9614 8.9614 15.5759 15.5759 15.5763 15.5763 16.8546 16.8546 16.8550 16.8550 k = 0.5000 0.3809 0.0418 ( 4114 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9356 -8.9356 -8.9356 -8.9356 -4.7462 -4.7462 -4.7461 -4.7461 0.5939 0.5939 0.5940 0.5940 3.4818 3.4818 3.4825 3.4825 4.8511 4.8511 4.8516 4.8516 6.8754 6.8754 6.8779 6.8779 7.5633 7.5633 7.5665 7.5665 8.9535 8.9535 8.9544 8.9544 15.5784 15.5784 15.5787 15.5787 16.8127 16.8127 16.8130 16.8130 k = 0.5000 0.3809 0.0279 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9381 -8.9381 -8.9381 -8.9381 -4.7406 -4.7406 -4.7406 -4.7406 0.5866 0.5866 0.5868 0.5868 3.4875 3.4875 3.4880 3.4880 4.8538 4.8538 4.8542 4.8542 6.9009 6.9009 6.9027 6.9027 7.5451 7.5451 7.5473 7.5473 8.9487 8.9487 8.9492 8.9492 15.5809 15.5809 15.5811 15.5811 16.7820 16.7820 16.7823 16.7823 k = 0.5000 0.3809 0.0139 ( 4122 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9397 -8.9397 -8.9397 -8.9397 -4.7373 -4.7373 -4.7373 -4.7373 0.5823 0.5823 0.5823 0.5823 3.4910 3.4910 3.4913 3.4913 4.8555 4.8555 4.8557 4.8557 6.9172 6.9172 6.9182 6.9182 7.5336 7.5336 7.5348 7.5348 8.9458 8.9458 8.9461 8.9461 15.5827 15.5827 15.5828 15.5828 16.7633 16.7633 16.7634 16.7634 k = 0.5000 0.3809-0.0000 ( 4142 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.9402 -8.9402 -8.9402 -8.9402 -4.7362 -4.7362 -4.7362 -4.7362 0.5808 0.5808 0.5808 0.5808 3.4923 3.4923 3.4923 3.4923 4.8561 4.8561 4.8561 4.8561 6.9232 6.9232 6.9232 6.9232 7.5300 7.5300 7.5300 7.5300 8.9449 8.9449 8.9449 8.9449 15.5833 15.5833 15.5833 15.5833 16.7571 16.7571 16.7571 16.7571 k = 0.0000 0.0000 0.8251 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2626 -8.2626 -8.2624 -8.2624 -5.3731 -5.3731 -5.3727 -5.3727 -0.7177 -0.7177 -0.7176 -0.7176 2.8269 2.8269 2.8277 2.8277 4.8314 4.8314 4.8349 4.8349 7.1825 7.1825 7.1829 7.1829 8.7413 8.7413 8.7429 8.7429 9.4768 9.4768 9.4776 9.4776 17.6978 17.6978 17.6979 17.6979 19.0502 19.0502 19.0576 19.0576 k = 0.0109 0.0083 0.8251 ( 4102 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2625 -8.2625 -8.2624 -8.2623 -5.3733 -5.3733 -5.3729 -5.3729 -0.7163 -0.7162 -0.7161 -0.7161 2.8214 2.8214 2.8221 2.8223 4.8368 4.8373 4.8405 4.8407 7.1822 7.1822 7.1825 7.1828 8.7415 8.7415 8.7431 8.7431 9.4752 9.4752 9.4760 9.4760 17.6986 17.6987 17.6987 17.6989 19.0496 19.0497 19.0569 19.0571 k = 0.0217 0.0166 0.8251 ( 4102 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2624 -8.2624 -8.2623 -8.2622 -5.3740 -5.3739 -5.3736 -5.3735 -0.7119 -0.7118 -0.7117 -0.7117 2.8050 2.8052 2.8057 2.8061 4.8533 4.8544 4.8573 4.8575 7.1812 7.1814 7.1815 7.1820 8.7421 8.7421 8.7436 8.7437 9.4705 9.4706 9.4714 9.4714 17.7012 17.7013 17.7013 17.7015 19.0478 19.0480 19.0550 19.0554 k = 0.0326 0.0248 0.8251 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2623 -8.2623 -8.2621 -8.2621 -5.3751 -5.3749 -5.3747 -5.3746 -0.7046 -0.7045 -0.7045 -0.7044 2.7786 2.7789 2.7792 2.7798 4.8803 4.8818 4.8844 4.8847 7.1796 7.1798 7.1799 7.1807 8.7431 8.7431 8.7446 8.7448 9.4627 9.4629 9.4636 9.4636 17.7054 17.7055 17.7056 17.7059 19.0450 19.0452 19.0521 19.0526 k = 0.0435 0.0331 0.8251 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2620 -8.2620 -8.2619 -8.2618 -5.3765 -5.3764 -5.3761 -5.3761 -0.6946 -0.6944 -0.6944 -0.6943 2.7432 2.7435 2.7436 2.7444 4.9166 4.9186 4.9209 4.9213 7.1775 7.1776 7.1778 7.1787 8.7445 8.7446 8.7460 8.7463 9.4519 9.4521 9.4528 9.4528 17.7114 17.7114 17.7116 17.7118 19.0410 19.0413 19.0479 19.0487 k = 0.0543 0.0414 0.8251 ( 4122 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2617 -8.2617 -8.2616 -8.2615 -5.3784 -5.3782 -5.3780 -5.3779 -0.6818 -0.6816 -0.6816 -0.6815 2.6999 2.7003 2.7003 2.7012 4.9610 4.9635 4.9654 4.9660 7.1747 7.1747 7.1751 7.1761 8.7464 8.7464 8.7479 8.7482 9.4383 9.4386 9.4392 9.4392 17.7188 17.7188 17.7191 17.7194 19.0359 19.0363 19.0427 19.0437 k = 0.0652 0.0497 0.8251 ( 4116 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2614 -8.2614 -8.2613 -8.2612 -5.3806 -5.3804 -5.3802 -5.3801 -0.6665 -0.6663 -0.6663 -0.6662 2.6503 2.6505 2.6506 2.6515 5.0121 5.0151 5.0167 5.0174 7.1712 7.1712 7.1717 7.1729 8.7488 8.7488 8.7503 8.7506 9.4219 9.4223 9.4228 9.4228 17.7277 17.7277 17.7280 17.7284 19.0299 19.0303 19.0365 19.0376 k = 0.0761 0.0580 0.8251 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2610 -8.2610 -8.2609 -8.2608 -5.3831 -5.3828 -5.3827 -5.3826 -0.6489 -0.6487 -0.6486 -0.6485 2.5955 2.5957 2.5959 2.5967 5.0686 5.0720 5.0734 5.0741 7.1671 7.1671 7.1677 7.1690 8.7517 8.7517 8.7532 8.7536 9.4030 9.4034 9.4039 9.4039 17.7379 17.7380 17.7383 17.7387 19.0228 19.0234 19.0293 19.0306 k = 0.0870 0.0662 0.8251 ( 4118 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2606 -8.2606 -8.2604 -8.2603 -5.3858 -5.3855 -5.3854 -5.3853 -0.6291 -0.6289 -0.6288 -0.6287 2.5370 2.5371 2.5374 2.5382 5.1291 5.1329 5.1340 5.1348 7.1623 7.1624 7.1630 7.1646 8.7552 8.7552 8.7567 8.7572 9.3817 9.3822 9.3826 9.3826 17.7493 17.7495 17.7498 17.7502 19.0149 19.0156 19.0212 19.0226 k = 0.0978 0.0745 0.8251 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2601 -8.2601 -8.2600 -8.2598 -5.3888 -5.3884 -5.3883 -5.3882 -0.6074 -0.6072 -0.6071 -0.6069 2.4759 2.4760 2.4763 2.4771 5.1923 5.1966 5.1975 5.1983 7.1568 7.1570 7.1577 7.1595 8.7594 8.7594 8.7609 8.7614 9.3583 9.3588 9.3591 9.3592 17.7617 17.7619 17.7623 17.7628 19.0062 19.0071 19.0123 19.0139 k = 0.1087 0.0828 0.8251 ( 4100 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2596 -8.2596 -8.2595 -8.2594 -5.3918 -5.3915 -5.3914 -5.3912 -0.5841 -0.5840 -0.5838 -0.5837 2.4134 2.4134 2.4139 2.4146 5.2571 5.2618 5.2625 5.2634 7.1507 7.1509 7.1518 7.1537 8.7642 8.7642 8.7657 8.7664 9.3331 9.3336 9.3338 9.3339 17.7750 17.7752 17.7756 17.7762 18.9968 18.9978 19.0027 19.0044 k = 0.1196 0.0911 0.8251 ( 4104 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2591 -8.2591 -8.2590 -8.2588 -5.3950 -5.3946 -5.3945 -5.3944 -0.5596 -0.5595 -0.5593 -0.5591 2.3505 2.3505 2.3510 2.3517 5.3225 5.3276 5.3280 5.3291 7.1440 7.1442 7.1453 7.1474 8.7698 8.7698 8.7713 8.7721 9.3062 9.3069 9.3069 9.3071 17.7889 17.7892 17.7895 17.7902 18.9869 18.9881 18.9926 18.9944 k = 0.1304 0.0994 0.8251 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2586 -8.2586 -8.2585 -8.2583 -5.3981 -5.3977 -5.3976 -5.3975 -0.5342 -0.5341 -0.5339 -0.5337 2.2882 2.2883 2.2888 2.2894 5.3873 5.3929 5.3931 5.3942 7.1368 7.1370 7.1381 7.1405 8.7763 8.7763 8.7778 8.7787 9.2781 9.2786 9.2788 9.2789 17.8031 17.8035 17.8038 17.8045 18.9765 18.9780 18.9820 18.9840 k = 0.1413 0.1076 0.8251 ( 4106 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2581 -8.2581 -8.2580 -8.2578 -5.4013 -5.4008 -5.4008 -5.4006 -0.5084 -0.5083 -0.5081 -0.5079 2.2275 2.2275 2.2280 2.2287 5.4507 5.4567 5.4567 5.4579 7.1290 7.1293 7.1305 7.1332 8.7837 8.7837 8.7852 8.7863 9.2490 9.2494 9.2498 9.2499 17.8175 17.8179 17.8183 17.8191 18.9660 18.9676 18.9713 18.9733 k = 0.1522 0.1159 0.8251 ( 4108 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2576 -8.2576 -8.2575 -8.2573 -5.4043 -5.4038 -5.4038 -5.4037 -0.4826 -0.4825 -0.4823 -0.4821 2.1691 2.1692 2.1697 2.1703 5.5117 5.5180 5.5182 5.5193 7.1209 7.1211 7.1226 7.1254 8.7920 8.7921 8.7935 8.7948 9.2194 9.2196 9.2202 9.2202 17.8318 17.8323 17.8326 17.8335 18.9554 18.9573 18.9605 18.9626 k = 0.1630 0.1242 0.8251 ( 4108 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2571 -8.2571 -8.2570 -8.2568 -5.4072 -5.4067 -5.4067 -5.4065 -0.4574 -0.4573 -0.4570 -0.4568 2.1140 2.1141 2.1146 2.1152 5.5695 5.5761 5.5765 5.5774 7.1125 7.1128 7.1143 7.1175 8.8013 8.8014 8.8029 8.8044 9.1895 9.1895 9.1903 9.1904 17.8457 17.8462 17.8465 17.8475 18.9450 18.9472 18.9499 18.9520 k = 0.1739 0.1325 0.8251 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2567 -8.2567 -8.2566 -8.2564 -5.4099 -5.4094 -5.4093 -5.4092 -0.4332 -0.4331 -0.4328 -0.4326 2.0630 2.0631 2.0636 2.0641 5.6232 5.6301 5.6306 5.6315 7.1041 7.1043 7.1061 7.1095 8.8117 8.8119 8.8132 8.8151 9.1595 9.1598 9.1605 9.1607 17.8589 17.8594 17.8596 17.8608 18.9350 18.9375 18.9398 18.9419 k = 0.1848 0.1408 0.8251 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2563 -8.2563 -8.2562 -8.2560 -5.4123 -5.4118 -5.4117 -5.4116 -0.4107 -0.4105 -0.4102 -0.4101 2.0168 2.0168 2.0174 2.0179 5.6720 5.6791 5.6798 5.6806 7.0959 7.0961 7.0980 7.1017 8.8231 8.8233 8.8246 8.8269 9.1301 9.1307 9.1313 9.1317 17.8711 17.8717 17.8718 17.8731 18.9257 18.9285 18.9303 18.9324 k = 0.1957 0.1491 0.8251 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2559 -8.2559 -8.2559 -8.2556 -5.4144 -5.4139 -5.4139 -5.4138 -0.3903 -0.3902 -0.3899 -0.3897 1.9761 1.9762 1.9768 1.9773 5.7149 5.7224 5.7233 5.7239 7.0881 7.0883 7.0904 7.0943 8.8354 8.8357 8.8369 8.8396 9.1016 9.1026 9.1033 9.1037 17.8821 17.8827 17.8827 17.8841 18.9173 18.9205 18.9217 18.9237 k = 0.2065 0.1573 0.8251 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2556 -8.2556 -8.2556 -8.2553 -5.4162 -5.4157 -5.4156 -5.4156 -0.3727 -0.3726 -0.3723 -0.3721 1.9418 1.9418 1.9424 1.9429 5.7514 5.7591 5.7601 5.7606 7.0812 7.0813 7.0835 7.0877 8.8483 8.8487 8.8498 8.8531 9.0747 9.0763 9.0769 9.0774 17.8915 17.8920 17.8921 17.8936 18.9101 18.9135 18.9144 18.9162 k = 0.2174 0.1656 0.8251 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2554 -8.2554 -8.2553 -8.2551 -5.4177 -5.4171 -5.4171 -5.4170 -0.3584 -0.3583 -0.3580 -0.3578 1.9143 1.9144 1.9150 1.9154 5.7806 5.7885 5.7897 5.7901 7.0753 7.0755 7.0777 7.0821 8.8613 8.8618 8.8628 8.8669 9.0502 9.0525 9.0531 9.0536 17.8992 17.8996 17.8997 17.9012 18.9042 18.9080 18.9083 18.9100 k = 0.2283 0.1739 0.8251 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2552 -8.2552 -8.2552 -8.2549 -5.4187 -5.4182 -5.4181 -5.4181 -0.3478 -0.3478 -0.3474 -0.3472 1.8943 1.8944 1.8949 1.8954 5.8020 5.8100 5.8113 5.8116 7.0709 7.0710 7.0734 7.0779 8.8733 8.8739 8.8747 8.8798 9.0294 9.0327 9.0333 9.0337 17.9048 17.9051 17.9053 17.9068 18.8998 18.9039 18.9040 18.9053 k = 0.2391 0.1822 0.8251 ( 4120 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2551 -8.2551 -8.2551 -8.2548 -5.4193 -5.4188 -5.4187 -5.4187 -0.3413 -0.3413 -0.3409 -0.3407 1.8822 1.8822 1.8828 1.8832 5.8150 5.8231 5.8245 5.8247 7.0681 7.0682 7.0706 7.0753 8.8823 8.8831 8.8835 8.8898 9.0146 9.0189 9.0196 9.0198 17.9083 17.9084 17.9087 17.9103 18.8971 18.9012 18.9016 18.9023 k = 0.2500 0.1905 0.8251 ( 4132 PWs) bands (ev): -86.9409 -86.9409 -86.9409 -86.9409 -8.2551 -8.2550 -8.2550 -8.2548 -5.4196 -5.4190 -5.4189 -5.4189 -0.3391 -0.3391 -0.3387 -0.3385 1.8781 1.8781 1.8787 1.8791 5.8193 5.8275 5.8290 5.8290 7.0672 7.0672 7.0697 7.0744 8.8857 8.8868 8.8868 8.8937 9.0091 9.0138 9.0146 9.0146 17.9095 17.9095 17.9099 17.9114 18.8962 18.9003 18.9011 18.9011 Writing output data file BeCN2.save init_run : 2.13s CPU 11.34s WALL ( 1 calls) electrons : 586.86s CPU 594.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.53s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 586.83s CPU 594.51s WALL ( 1 calls) v_of_rho : 0.34s CPU 1.02s WALL ( 1 calls) v_h : 0.02s CPU 0.11s WALL ( 1 calls) v_xc : 0.31s CPU 0.64s WALL ( 1 calls) newd : 0.24s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.12s WALL ( 411 calls) cegterg : 543.16s CPU 547.28s WALL ( 779 calls) Called by sum_band: Called by *egterg: h_psi : 300.13s CPU 307.86s WALL ( 13203 calls) s_psi : 15.59s CPU 16.22s WALL ( 13203 calls) g_psi : 0.67s CPU 0.73s WALL ( 12013 calls) cdiaghg : 164.35s CPU 162.47s WALL ( 12424 calls) cegterg:over : 47.36s CPU 43.91s WALL ( 12013 calls) cegterg:upda : 8.55s CPU 11.92s WALL ( 12013 calls) cegterg:last : 8.19s CPU 9.17s WALL ( 2386 calls) Called by h_psi: h_psi:vloc : 255.19s CPU 261.52s WALL ( 13203 calls) h_psi:vnl : 44.68s CPU 45.57s WALL ( 13203 calls) add_vuspsi : 9.69s CPU 13.63s WALL ( 13203 calls) General routines calbec : 34.95s CPU 31.83s WALL ( 13203 calls) fft : 0.46s CPU 1.44s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 232.92s CPU 234.91s WALL ( 1300948 calls) interpolate : 0.02s CPU 0.04s WALL ( 4 calls) davcio : 0.04s CPU 1.97s WALL ( 822 calls) Parallel routines fft_scatter : 163.26s CPU 161.92s WALL ( 1300971 calls) PWSCF : 10m44.51s CPU 12m17.13s WALL This run was terminated on: 3:26: 9 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=