Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:13: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaxPIrx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 88 63 18 1773 1054 169 Max 89 64 19 1774 1077 171 Sum 3189 2285 659 63839 38337 6111 bravais-lattice index = 14 lattice parameter (alat) = 12.9965 a.u. unit-cell volume = 660.5186 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.996487 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.835400 celldm(5)= -0.835400 celldm(6)= 0.670800 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.670800 0.741638 0.000000 ) a(3) = ( -0.835400 -0.370819 0.405709 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.904484 1.232410 ) b(2) = ( 0.000000 1.348366 1.232410 ) b(3) = ( 0.000000 0.000000 2.464819 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Ir 17.00 192.21700 Ir( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0216212), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0432424), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0648637), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0864849), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.1081061), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.1297273), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.1513485), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.1729698), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.1945910), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.2162122), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.2378334), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.2594547), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.2810759), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.3026971), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.3243183), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.3459395), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.3675608), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.3891820), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.4108032), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.4324244), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.4540456), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.4756669), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.4972881), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.5189093), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.5405305), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.5621518), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.5837730), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.6053942), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.6270154), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.6486366), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.6702578), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.6918791), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.7135003), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.7351215), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.7567427), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.7783639), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.7999852), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.8216064), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.8432276), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.8648488), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.8864700), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.9080913), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.9297125), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.9513337), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.9729549), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.9945762), wk = 0.0028818 k( 48) = ( 0.0000000 0.0000000 1.0161974), wk = 0.0028818 k( 49) = ( 0.0000000 0.0000000 1.0378186), wk = 0.0028818 k( 50) = ( 0.0000000 0.0000000 1.0594398), wk = 0.0028818 k( 51) = ( 0.0000000 0.0000000 1.0810610), wk = 0.0028818 k( 52) = ( 0.0000000 0.0000000 1.1026823), wk = 0.0028818 k( 53) = ( 0.0000000 0.0000000 1.1243035), wk = 0.0028818 k( 54) = ( 0.0000000 0.0000000 1.1459247), wk = 0.0028818 k( 55) = ( 0.0000000 0.0000000 1.1675459), wk = 0.0028818 k( 56) = ( 0.0000000 0.0000000 1.1891671), wk = 0.0028818 k( 57) = ( 0.0000000 0.0000000 1.2107884), wk = 0.0028818 k( 58) = ( 0.0000000 0.0000000 1.2324096), wk = 0.0028818 k( 59) = ( 0.0000000 0.0000000 1.2324096), wk = 0.0028818 k( 60) = ( -0.0082096 0.0184951 1.2324096), wk = 0.0028818 k( 61) = ( -0.0164193 0.0369902 1.2324096), wk = 0.0028818 k( 62) = ( -0.0246289 0.0554853 1.2324096), wk = 0.0028818 k( 63) = ( -0.0328386 0.0739804 1.2324096), wk = 0.0028818 k( 64) = ( -0.0410482 0.0924755 1.2324096), wk = 0.0028818 k( 65) = ( -0.0492578 0.1109706 1.2324096), wk = 0.0028818 k( 66) = ( -0.0492578 0.1109706 1.2324096), wk = 0.0028818 k( 67) = ( -0.0555182 0.1250741 1.2169791), wk = 0.0028818 k( 68) = ( -0.0617785 0.1391776 1.2015485), wk = 0.0028818 k( 69) = ( -0.0680388 0.1532811 1.1861180), wk = 0.0028818 k( 70) = ( -0.0742991 0.1673847 1.1706875), wk = 0.0028818 k( 71) = ( -0.0805594 0.1814882 1.1552569), wk = 0.0028818 k( 72) = ( -0.0868197 0.1955917 1.1398264), wk = 0.0028818 k( 73) = ( -0.0930800 0.2096953 1.1243959), wk = 0.0028818 k( 74) = ( -0.0993403 0.2237988 1.1089654), wk = 0.0028818 k( 75) = ( -0.1056006 0.2379024 1.0935348), wk = 0.0028818 k( 76) = ( -0.1118609 0.2520059 1.0781043), wk = 0.0028818 k( 77) = ( -0.1181212 0.2661094 1.0626738), wk = 0.0028818 k( 78) = ( -0.1243815 0.2802130 1.0472433), wk = 0.0028818 k( 79) = ( -0.1306419 0.2943165 1.0318127), wk = 0.0028818 k( 80) = ( -0.1369022 0.3084200 1.0163822), wk = 0.0028818 k( 81) = ( -0.1431625 0.3225236 1.0009517), wk = 0.0028818 k( 82) = ( -0.1494228 0.3366271 0.9855212), wk = 0.0028818 k( 83) = ( -0.1556831 0.3507306 0.9700906), wk = 0.0028818 k( 84) = ( -0.1619434 0.3648342 0.9546601), wk = 0.0028818 k( 85) = ( -0.1682037 0.3789377 0.9392296), wk = 0.0028818 k( 86) = ( -0.1744640 0.3930412 0.9237991), wk = 0.0028818 k( 87) = ( -0.1807243 0.4071448 0.9083685), wk = 0.0028818 k( 88) = ( -0.1869846 0.4212483 0.8929380), wk = 0.0028818 k( 89) = ( -0.1932449 0.4353518 0.8775075), wk = 0.0028818 k( 90) = ( -0.1995052 0.4494554 0.8620770), wk = 0.0028818 k( 91) = ( -0.2057655 0.4635589 0.8466464), wk = 0.0028818 k( 92) = ( -0.2120258 0.4776625 0.8312159), wk = 0.0028818 k( 93) = ( -0.2182862 0.4917660 0.8157854), wk = 0.0028818 k( 94) = ( -0.2245465 0.5058695 0.8003548), wk = 0.0028818 k( 95) = ( -0.2308068 0.5199731 0.7849243), wk = 0.0028818 k( 96) = ( -0.2370671 0.5340766 0.7694938), wk = 0.0028818 k( 97) = ( -0.2433274 0.5481801 0.7540633), wk = 0.0028818 k( 98) = ( -0.2495877 0.5622836 0.7386327), wk = 0.0028818 k( 99) = ( -0.2558480 0.5763872 0.7232022), wk = 0.0028818 k( 100) = ( -0.2621083 0.5904907 0.7077717), wk = 0.0028818 k( 101) = ( -0.2683686 0.6045943 0.6923412), wk = 0.0028818 k( 102) = ( -0.2746289 0.6186978 0.6769106), wk = 0.0028818 k( 103) = ( -0.2746289 0.6186978 0.6769106), wk = 0.0028818 k( 104) = ( -0.2683874 0.6046365 0.6615263), wk = 0.0028818 k( 105) = ( -0.2621458 0.5905752 0.6461420), wk = 0.0028818 k( 106) = ( -0.2559042 0.5765138 0.6307576), wk = 0.0028818 k( 107) = ( -0.2496627 0.5624525 0.6153733), wk = 0.0028818 k( 108) = ( -0.2434211 0.5483912 0.5999890), wk = 0.0028818 k( 109) = ( -0.2371795 0.5343299 0.5846046), wk = 0.0028818 k( 110) = ( -0.2309380 0.5202686 0.5692203), wk = 0.0028818 k( 111) = ( -0.2246964 0.5062073 0.5538360), wk = 0.0028818 k( 112) = ( -0.2184548 0.4921460 0.5384517), wk = 0.0028818 k( 113) = ( -0.2122133 0.4780847 0.5230673), wk = 0.0028818 k( 114) = ( -0.2059717 0.4640233 0.5076830), wk = 0.0028818 k( 115) = ( -0.1997301 0.4499620 0.4922987), wk = 0.0028818 k( 116) = ( -0.1934886 0.4359007 0.4769143), wk = 0.0028818 k( 117) = ( -0.1872470 0.4218394 0.4615300), wk = 0.0028818 k( 118) = ( -0.1810054 0.4077781 0.4461457), wk = 0.0028818 k( 119) = ( -0.1747639 0.3937168 0.4307613), wk = 0.0028818 k( 120) = ( -0.1685223 0.3796555 0.4153770), wk = 0.0028818 k( 121) = ( -0.1622807 0.3655942 0.3999927), wk = 0.0028818 k( 122) = ( -0.1560392 0.3515328 0.3846083), wk = 0.0028818 k( 123) = ( -0.1497976 0.3374715 0.3692240), wk = 0.0028818 k( 124) = ( -0.1435560 0.3234102 0.3538397), wk = 0.0028818 k( 125) = ( -0.1373145 0.3093489 0.3384553), wk = 0.0028818 k( 126) = ( -0.1310729 0.2952876 0.3230710), wk = 0.0028818 k( 127) = ( -0.1248313 0.2812263 0.3076867), wk = 0.0028818 k( 128) = ( -0.1185898 0.2671650 0.2923023), wk = 0.0028818 k( 129) = ( -0.1123482 0.2531037 0.2769180), wk = 0.0028818 k( 130) = ( -0.1061066 0.2390423 0.2615337), wk = 0.0028818 k( 131) = ( -0.0998651 0.2249810 0.2461493), wk = 0.0028818 k( 132) = ( -0.0936235 0.2109197 0.2307650), wk = 0.0028818 k( 133) = ( -0.0873819 0.1968584 0.2153807), wk = 0.0028818 k( 134) = ( -0.0811404 0.1827971 0.1999963), wk = 0.0028818 k( 135) = ( -0.0748988 0.1687358 0.1846120), wk = 0.0028818 k( 136) = ( -0.0686572 0.1546744 0.1692277), wk = 0.0028818 k( 137) = ( -0.0624157 0.1406131 0.1538433), wk = 0.0028818 k( 138) = ( -0.0561741 0.1265518 0.1384590), wk = 0.0028818 k( 139) = ( -0.0499325 0.1124905 0.1230747), wk = 0.0028818 k( 140) = ( -0.0436910 0.0984292 0.1076903), wk = 0.0028818 k( 141) = ( -0.0374494 0.0843679 0.0923060), wk = 0.0028818 k( 142) = ( -0.0312078 0.0703066 0.0769217), wk = 0.0028818 k( 143) = ( -0.0249663 0.0562453 0.0615373), wk = 0.0028818 k( 144) = ( -0.0187247 0.0421839 0.0461530), wk = 0.0028818 k( 145) = ( -0.0124831 0.0281226 0.0307687), wk = 0.0028818 k( 146) = ( -0.0062416 0.0140613 0.0153843), wk = 0.0028818 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 149) = ( 0.0200000 0.0088776 0.0000000), wk = 0.0028818 k( 150) = ( 0.0400000 0.0177553 0.0000000), wk = 0.0028818 k( 151) = ( 0.0600000 0.0266329 -0.0000000), wk = 0.0028818 k( 152) = ( 0.0800000 0.0355106 0.0000000), wk = 0.0028818 k( 153) = ( 0.1000000 0.0443882 0.0000000), wk = 0.0028818 k( 154) = ( 0.1200000 0.0532659 -0.0000000), wk = 0.0028818 k( 155) = ( 0.1400000 0.0621435 -0.0000000), wk = 0.0028818 k( 156) = ( 0.1600000 0.0710211 0.0000000), wk = 0.0028818 k( 157) = ( 0.1800000 0.0798988 0.0000000), wk = 0.0028818 k( 158) = ( 0.2000000 0.0887764 0.0000000), wk = 0.0028818 k( 159) = ( 0.2200000 0.0976541 0.0000000), wk = 0.0028818 k( 160) = ( 0.2400000 0.1065317 -0.0000000), wk = 0.0028818 k( 161) = ( 0.2600000 0.1154094 0.0000000), wk = 0.0028818 k( 162) = ( 0.2800000 0.1242870 -0.0000000), wk = 0.0028818 k( 163) = ( 0.3000000 0.1331647 -0.0000000), wk = 0.0028818 k( 164) = ( 0.3200000 0.1420423 0.0000000), wk = 0.0028818 k( 165) = ( 0.3400000 0.1509199 0.0000000), wk = 0.0028818 k( 166) = ( 0.3600000 0.1597976 0.0000000), wk = 0.0028818 k( 167) = ( 0.3800000 0.1686752 -0.0000000), wk = 0.0028818 k( 168) = ( 0.4000000 0.1775529 0.0000000), wk = 0.0028818 k( 169) = ( 0.4200000 0.1864305 0.0000000), wk = 0.0028818 k( 170) = ( 0.4400000 0.1953082 0.0000000), wk = 0.0028818 k( 171) = ( 0.4600000 0.2041858 0.0000000), wk = 0.0028818 k( 172) = ( 0.4800000 0.2130634 -0.0000000), wk = 0.0028818 k( 173) = ( 0.5000000 0.2219411 0.0000000), wk = 0.0028818 k( 174) = ( 0.5000000 0.2219411 0.0000000), wk = 0.0028818 k( 175) = ( 0.4937397 0.2360446 0.0154305), wk = 0.0028818 k( 176) = ( 0.4874794 0.2501482 0.0308611), wk = 0.0028818 k( 177) = ( 0.4812191 0.2642517 0.0462916), wk = 0.0028818 k( 178) = ( 0.4749588 0.2783552 0.0617221), wk = 0.0028818 k( 179) = ( 0.4686985 0.2924588 0.0771526), wk = 0.0028818 k( 180) = ( 0.4624381 0.3065623 0.0925832), wk = 0.0028818 k( 181) = ( 0.4561778 0.3206658 0.1080137), wk = 0.0028818 k( 182) = ( 0.4499175 0.3347694 0.1234442), wk = 0.0028818 k( 183) = ( 0.4436572 0.3488729 0.1388747), wk = 0.0028818 k( 184) = ( 0.4373969 0.3629764 0.1543053), wk = 0.0028818 k( 185) = ( 0.4311366 0.3770800 0.1697358), wk = 0.0028818 k( 186) = ( 0.4248763 0.3911835 0.1851663), wk = 0.0028818 k( 187) = ( 0.4186160 0.4052870 0.2005968), wk = 0.0028818 k( 188) = ( 0.4123557 0.4193906 0.2160274), wk = 0.0028818 k( 189) = ( 0.4060954 0.4334941 0.2314579), wk = 0.0028818 k( 190) = ( 0.3998351 0.4475976 0.2468884), wk = 0.0028818 k( 191) = ( 0.3935748 0.4617012 0.2623189), wk = 0.0028818 k( 192) = ( 0.3873145 0.4758047 0.2777495), wk = 0.0028818 k( 193) = ( 0.3810541 0.4899083 0.2931800), wk = 0.0028818 k( 194) = ( 0.3747938 0.5040118 0.3086105), wk = 0.0028818 k( 195) = ( 0.3685335 0.5181153 0.3240411), wk = 0.0028818 k( 196) = ( 0.3622732 0.5322189 0.3394716), wk = 0.0028818 k( 197) = ( 0.3560129 0.5463224 0.3549021), wk = 0.0028818 k( 198) = ( 0.3497526 0.5604259 0.3703326), wk = 0.0028818 k( 199) = ( 0.3434923 0.5745295 0.3857632), wk = 0.0028818 k( 200) = ( 0.3372320 0.5886330 0.4011937), wk = 0.0028818 k( 201) = ( 0.3309717 0.6027365 0.4166242), wk = 0.0028818 k( 202) = ( 0.3247114 0.6168401 0.4320548), wk = 0.0028818 k( 203) = ( 0.3184511 0.6309436 0.4474853), wk = 0.0028818 k( 204) = ( 0.3121908 0.6450471 0.4629158), wk = 0.0028818 k( 205) = ( 0.3059305 0.6591507 0.4783463), wk = 0.0028818 k( 206) = ( 0.2996702 0.6732542 0.4937769), wk = 0.0028818 k( 207) = ( 0.2934099 0.6873577 0.5092074), wk = 0.0028818 k( 208) = ( 0.2871495 0.7014613 0.5246379), wk = 0.0028818 k( 209) = ( 0.2808892 0.7155648 0.5400684), wk = 0.0028818 k( 210) = ( 0.2746289 0.7296683 0.5554990), wk = 0.0028818 k( 211) = ( 0.2746289 0.7296683 0.5554990), wk = 0.0028818 k( 212) = ( 0.2550126 0.7257051 0.5598351), wk = 0.0028818 k( 213) = ( 0.2353962 0.7217419 0.5641712), wk = 0.0028818 k( 214) = ( 0.2157799 0.7177786 0.5685073), wk = 0.0028818 k( 215) = ( 0.1961635 0.7138154 0.5728435), wk = 0.0028818 k( 216) = ( 0.1765472 0.7098522 0.5771796), wk = 0.0028818 k( 217) = ( 0.1569308 0.7058889 0.5815157), wk = 0.0028818 k( 218) = ( 0.1373145 0.7019257 0.5858519), wk = 0.0028818 k( 219) = ( 0.1176981 0.6979625 0.5901880), wk = 0.0028818 k( 220) = ( 0.0980818 0.6939992 0.5945241), wk = 0.0028818 k( 221) = ( 0.0784654 0.6900360 0.5988603), wk = 0.0028818 k( 222) = ( 0.0588490 0.6860728 0.6031964), wk = 0.0028818 k( 223) = ( 0.0392327 0.6821095 0.6075325), wk = 0.0028818 k( 224) = ( 0.0196164 0.6781463 0.6118687), wk = 0.0028818 k( 225) = ( 0.0000000 0.6741831 0.6162048), wk = 0.0028818 k( 226) = ( 0.0000000 0.6741831 0.6162048), wk = 0.0028818 k( 227) = ( 0.0062500 0.6601028 0.6316099), wk = 0.0028818 k( 228) = ( 0.0125000 0.6460224 0.6470150), wk = 0.0028818 k( 229) = ( 0.0187500 0.6319421 0.6624202), wk = 0.0028818 k( 230) = ( 0.0250000 0.6178618 0.6778253), wk = 0.0028818 k( 231) = ( 0.0312500 0.6037815 0.6932304), wk = 0.0028818 k( 232) = ( 0.0375000 0.5897012 0.7086355), wk = 0.0028818 k( 233) = ( 0.0437500 0.5756209 0.7240406), wk = 0.0028818 k( 234) = ( 0.0500000 0.5615406 0.7394458), wk = 0.0028818 k( 235) = ( 0.0562500 0.5474602 0.7548509), wk = 0.0028818 k( 236) = ( 0.0625000 0.5333799 0.7702560), wk = 0.0028818 k( 237) = ( 0.0687500 0.5192996 0.7856611), wk = 0.0028818 k( 238) = ( 0.0750000 0.5052193 0.8010662), wk = 0.0028818 k( 239) = ( 0.0812500 0.4911390 0.8164713), wk = 0.0028818 k( 240) = ( 0.0875000 0.4770587 0.8318765), wk = 0.0028818 k( 241) = ( 0.0937500 0.4629784 0.8472816), wk = 0.0028818 k( 242) = ( 0.1000000 0.4488981 0.8626867), wk = 0.0028818 k( 243) = ( 0.1062500 0.4348177 0.8780918), wk = 0.0028818 k( 244) = ( 0.1125000 0.4207374 0.8934969), wk = 0.0028818 k( 245) = ( 0.1187500 0.4066571 0.9089021), wk = 0.0028818 k( 246) = ( 0.1250000 0.3925768 0.9243072), wk = 0.0028818 k( 247) = ( 0.1312500 0.3784965 0.9397123), wk = 0.0028818 k( 248) = ( 0.1375000 0.3644162 0.9551174), wk = 0.0028818 k( 249) = ( 0.1437500 0.3503359 0.9705225), wk = 0.0028818 k( 250) = ( 0.1500000 0.3362556 0.9859277), wk = 0.0028818 k( 251) = ( 0.1562500 0.3221752 1.0013328), wk = 0.0028818 k( 252) = ( 0.1625000 0.3080949 1.0167379), wk = 0.0028818 k( 253) = ( 0.1687500 0.2940146 1.0321430), wk = 0.0028818 k( 254) = ( 0.1750000 0.2799343 1.0475481), wk = 0.0028818 k( 255) = ( 0.1812500 0.2658540 1.0629533), wk = 0.0028818 k( 256) = ( 0.1875000 0.2517737 1.0783584), wk = 0.0028818 k( 257) = ( 0.1937500 0.2376934 1.0937635), wk = 0.0028818 k( 258) = ( 0.2000000 0.2236130 1.1091686), wk = 0.0028818 k( 259) = ( 0.2062500 0.2095327 1.1245737), wk = 0.0028818 k( 260) = ( 0.2125000 0.1954524 1.1399789), wk = 0.0028818 k( 261) = ( 0.2187500 0.1813721 1.1553840), wk = 0.0028818 k( 262) = ( 0.2250000 0.1672918 1.1707891), wk = 0.0028818 k( 263) = ( 0.2312500 0.1532115 1.1861942), wk = 0.0028818 k( 264) = ( 0.2375000 0.1391312 1.2015993), wk = 0.0028818 k( 265) = ( 0.2437500 0.1250509 1.2170045), wk = 0.0028818 k( 266) = ( 0.2500000 0.1109705 1.2324096), wk = 0.0028818 k( 267) = ( 0.2500000 0.1109705 1.2324096), wk = 0.0028818 k( 268) = ( 0.2678571 0.1188970 1.2237373), wk = 0.0028818 k( 269) = ( 0.2857143 0.1268235 1.2150651), wk = 0.0028818 k( 270) = ( 0.3035714 0.1347499 1.2063928), wk = 0.0028818 k( 271) = ( 0.3214286 0.1426764 1.1977205), wk = 0.0028818 k( 272) = ( 0.3392857 0.1506029 1.1890483), wk = 0.0028818 k( 273) = ( 0.3571429 0.1585293 1.1803760), wk = 0.0028818 k( 274) = ( 0.3750000 0.1664558 1.1717037), wk = 0.0028818 k( 275) = ( 0.3928571 0.1743823 1.1630315), wk = 0.0028818 k( 276) = ( 0.4107143 0.1823088 1.1543592), wk = 0.0028818 k( 277) = ( 0.4285714 0.1902352 1.1456870), wk = 0.0028818 k( 278) = ( 0.4464286 0.1981617 1.1370147), wk = 0.0028818 k( 279) = ( 0.4642857 0.2060882 1.1283424), wk = 0.0028818 k( 280) = ( 0.4821429 0.2140146 1.1196702), wk = 0.0028818 k( 281) = ( 0.5000000 0.2219411 1.1109979), wk = 0.0028818 k( 282) = ( 0.5000000 0.2219411 1.1109979), wk = 0.0028818 k( 283) = ( 0.5000000 0.2219411 1.0892136), wk = 0.0028818 k( 284) = ( 0.5000000 0.2219411 1.0674294), wk = 0.0028818 k( 285) = ( 0.5000000 0.2219411 1.0456451), wk = 0.0028818 k( 286) = ( 0.5000000 0.2219411 1.0238608), wk = 0.0028818 k( 287) = ( 0.5000000 0.2219411 1.0020765), wk = 0.0028818 k( 288) = ( 0.5000000 0.2219411 0.9802923), wk = 0.0028818 k( 289) = ( 0.5000000 0.2219411 0.9585080), wk = 0.0028818 k( 290) = ( 0.5000000 0.2219411 0.9367237), wk = 0.0028818 k( 291) = ( 0.5000000 0.2219411 0.9149394), wk = 0.0028818 k( 292) = ( 0.5000000 0.2219411 0.8931552), wk = 0.0028818 k( 293) = ( 0.5000000 0.2219411 0.8713709), wk = 0.0028818 k( 294) = ( 0.5000000 0.2219411 0.8495866), wk = 0.0028818 k( 295) = ( 0.5000000 0.2219411 0.8278023), wk = 0.0028818 k( 296) = ( 0.5000000 0.2219411 0.8060181), wk = 0.0028818 k( 297) = ( 0.5000000 0.2219411 0.7842338), wk = 0.0028818 k( 298) = ( 0.5000000 0.2219411 0.7624495), wk = 0.0028818 k( 299) = ( 0.5000000 0.2219411 0.7406653), wk = 0.0028818 k( 300) = ( 0.5000000 0.2219411 0.7188810), wk = 0.0028818 k( 301) = ( 0.5000000 0.2219411 0.6970967), wk = 0.0028818 k( 302) = ( 0.5000000 0.2219411 0.6753124), wk = 0.0028818 k( 303) = ( 0.5000000 0.2219411 0.6535282), wk = 0.0028818 k( 304) = ( 0.5000000 0.2219411 0.6317439), wk = 0.0028818 k( 305) = ( 0.5000000 0.2219411 0.6099596), wk = 0.0028818 k( 306) = ( 0.5000000 0.2219411 0.5881754), wk = 0.0028818 k( 307) = ( 0.5000000 0.2219411 0.5663911), wk = 0.0028818 k( 308) = ( 0.5000000 0.2219411 0.5446068), wk = 0.0028818 k( 309) = ( 0.5000000 0.2219411 0.5228225), wk = 0.0028818 k( 310) = ( 0.5000000 0.2219411 0.5010383), wk = 0.0028818 k( 311) = ( 0.5000000 0.2219411 0.4792540), wk = 0.0028818 k( 312) = ( 0.5000000 0.2219411 0.4574697), wk = 0.0028818 k( 313) = ( 0.5000000 0.2219411 0.4356855), wk = 0.0028818 k( 314) = ( 0.5000000 0.2219411 0.4139012), wk = 0.0028818 k( 315) = ( 0.5000000 0.2219411 0.3921169), wk = 0.0028818 k( 316) = ( 0.5000000 0.2219411 0.3703326), wk = 0.0028818 k( 317) = ( 0.5000000 0.2219411 0.3485484), wk = 0.0028818 k( 318) = ( 0.5000000 0.2219411 0.3267641), wk = 0.0028818 k( 319) = ( 0.5000000 0.2219411 0.3049798), wk = 0.0028818 k( 320) = ( 0.5000000 0.2219411 0.2831955), wk = 0.0028818 k( 321) = ( 0.5000000 0.2219411 0.2614113), wk = 0.0028818 k( 322) = ( 0.5000000 0.2219411 0.2396270), wk = 0.0028818 k( 323) = ( 0.5000000 0.2219411 0.2178427), wk = 0.0028818 k( 324) = ( 0.5000000 0.2219411 0.1960584), wk = 0.0028818 k( 325) = ( 0.5000000 0.2219411 0.1742742), wk = 0.0028818 k( 326) = ( 0.5000000 0.2219411 0.1524899), wk = 0.0028818 k( 327) = ( 0.5000000 0.2219411 0.1307056), wk = 0.0028818 k( 328) = ( 0.5000000 0.2219411 0.1089214), wk = 0.0028818 k( 329) = ( 0.5000000 0.2219411 0.0871371), wk = 0.0028818 k( 330) = ( 0.5000000 0.2219411 0.0653528), wk = 0.0028818 k( 331) = ( 0.5000000 0.2219411 0.0435685), wk = 0.0028818 k( 332) = ( 0.5000000 0.2219411 0.0217843), wk = 0.0028818 k( 333) = ( 0.5000000 0.2219411 0.0000000), wk = 0.0028818 k( 334) = ( 0.0000000 0.0000000 1.2324096), wk = 0.0028818 k( 335) = ( 0.0192308 0.0085362 1.2324096), wk = 0.0028818 k( 336) = ( 0.0384615 0.0170724 1.2324096), wk = 0.0028818 k( 337) = ( 0.0576923 0.0256086 1.2324096), wk = 0.0028818 k( 338) = ( 0.0769231 0.0341448 1.2324096), wk = 0.0028818 k( 339) = ( 0.0961538 0.0426810 1.2324096), wk = 0.0028818 k( 340) = ( 0.1153846 0.0512172 1.2324096), wk = 0.0028818 k( 341) = ( 0.1346154 0.0597534 1.2324096), wk = 0.0028818 k( 342) = ( 0.1538461 0.0682896 1.2324096), wk = 0.0028818 k( 343) = ( 0.1730769 0.0768258 1.2324096), wk = 0.0028818 k( 344) = ( 0.1923077 0.0853620 1.2324096), wk = 0.0028818 k( 345) = ( 0.2115385 0.0938982 1.2324096), wk = 0.0028818 k( 346) = ( 0.2307692 0.1024343 1.2324096), wk = 0.0028818 k( 347) = ( 0.2500000 0.1109705 1.2324096), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0028818 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0028818 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028818 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0028818 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0028818 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028818 k( 53) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0028818 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0028818 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028818 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0028818 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0028818 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 60) = ( -0.0082096 0.0082096 0.5000000), wk = 0.0028818 k( 61) = ( -0.0164193 0.0164193 0.5000000), wk = 0.0028818 k( 62) = ( -0.0246289 0.0246289 0.5000000), wk = 0.0028818 k( 63) = ( -0.0328386 0.0328386 0.5000000), wk = 0.0028818 k( 64) = ( -0.0410482 0.0410482 0.5000000), wk = 0.0028818 k( 65) = ( -0.0492578 0.0492578 0.5000000), wk = 0.0028818 k( 66) = ( -0.0492578 0.0492578 0.5000000), wk = 0.0028818 k( 67) = ( -0.0555182 0.0555181 0.4937397), wk = 0.0028818 k( 68) = ( -0.0617785 0.0617785 0.4874794), wk = 0.0028818 k( 69) = ( -0.0680388 0.0680388 0.4812191), wk = 0.0028818 k( 70) = ( -0.0742991 0.0742991 0.4749588), wk = 0.0028818 k( 71) = ( -0.0805594 0.0805594 0.4686985), wk = 0.0028818 k( 72) = ( -0.0868197 0.0868197 0.4624382), wk = 0.0028818 k( 73) = ( -0.0930800 0.0930800 0.4561778), wk = 0.0028818 k( 74) = ( -0.0993403 0.0993403 0.4499175), wk = 0.0028818 k( 75) = ( -0.1056006 0.1056006 0.4436572), wk = 0.0028818 k( 76) = ( -0.1118609 0.1118609 0.4373969), wk = 0.0028818 k( 77) = ( -0.1181212 0.1181212 0.4311366), wk = 0.0028818 k( 78) = ( -0.1243815 0.1243815 0.4248763), wk = 0.0028818 k( 79) = ( -0.1306419 0.1306418 0.4186160), wk = 0.0028818 k( 80) = ( -0.1369022 0.1369022 0.4123557), wk = 0.0028818 k( 81) = ( -0.1431625 0.1431625 0.4060954), wk = 0.0028818 k( 82) = ( -0.1494228 0.1494228 0.3998351), wk = 0.0028818 k( 83) = ( -0.1556831 0.1556831 0.3935748), wk = 0.0028818 k( 84) = ( -0.1619434 0.1619434 0.3873145), wk = 0.0028818 k( 85) = ( -0.1682037 0.1682037 0.3810541), wk = 0.0028818 k( 86) = ( -0.1744640 0.1744640 0.3747938), wk = 0.0028818 k( 87) = ( -0.1807243 0.1807243 0.3685335), wk = 0.0028818 k( 88) = ( -0.1869846 0.1869846 0.3622732), wk = 0.0028818 k( 89) = ( -0.1932449 0.1932449 0.3560129), wk = 0.0028818 k( 90) = ( -0.1995052 0.1995052 0.3497526), wk = 0.0028818 k( 91) = ( -0.2057655 0.2057655 0.3434923), wk = 0.0028818 k( 92) = ( -0.2120258 0.2120258 0.3372320), wk = 0.0028818 k( 93) = ( -0.2182862 0.2182861 0.3309717), wk = 0.0028818 k( 94) = ( -0.2245465 0.2245465 0.3247114), wk = 0.0028818 k( 95) = ( -0.2308068 0.2308068 0.3184511), wk = 0.0028818 k( 96) = ( -0.2370671 0.2370671 0.3121908), wk = 0.0028818 k( 97) = ( -0.2433274 0.2433274 0.3059305), wk = 0.0028818 k( 98) = ( -0.2495877 0.2495877 0.2996702), wk = 0.0028818 k( 99) = ( -0.2558480 0.2558480 0.2934099), wk = 0.0028818 k( 100) = ( -0.2621083 0.2621083 0.2871495), wk = 0.0028818 k( 101) = ( -0.2683686 0.2683686 0.2808892), wk = 0.0028818 k( 102) = ( -0.2746289 0.2746289 0.2746289), wk = 0.0028818 k( 103) = ( -0.2746289 0.2746289 0.2746289), wk = 0.0028818 k( 104) = ( -0.2683874 0.2683874 0.2683874), wk = 0.0028818 k( 105) = ( -0.2621458 0.2621458 0.2621458), wk = 0.0028818 k( 106) = ( -0.2559042 0.2559042 0.2559042), wk = 0.0028818 k( 107) = ( -0.2496627 0.2496627 0.2496627), wk = 0.0028818 k( 108) = ( -0.2434211 0.2434211 0.2434211), wk = 0.0028818 k( 109) = ( -0.2371795 0.2371795 0.2371795), wk = 0.0028818 k( 110) = ( -0.2309380 0.2309380 0.2309380), wk = 0.0028818 k( 111) = ( -0.2246964 0.2246964 0.2246964), wk = 0.0028818 k( 112) = ( -0.2184548 0.2184548 0.2184548), wk = 0.0028818 k( 113) = ( -0.2122133 0.2122133 0.2122133), wk = 0.0028818 k( 114) = ( -0.2059717 0.2059717 0.2059717), wk = 0.0028818 k( 115) = ( -0.1997301 0.1997301 0.1997301), wk = 0.0028818 k( 116) = ( -0.1934886 0.1934886 0.1934886), wk = 0.0028818 k( 117) = ( -0.1872470 0.1872470 0.1872470), wk = 0.0028818 k( 118) = ( -0.1810054 0.1810054 0.1810054), wk = 0.0028818 k( 119) = ( -0.1747639 0.1747639 0.1747639), wk = 0.0028818 k( 120) = ( -0.1685223 0.1685223 0.1685223), wk = 0.0028818 k( 121) = ( -0.1622807 0.1622807 0.1622807), wk = 0.0028818 k( 122) = ( -0.1560392 0.1560392 0.1560392), wk = 0.0028818 k( 123) = ( -0.1497976 0.1497976 0.1497976), wk = 0.0028818 k( 124) = ( -0.1435560 0.1435560 0.1435560), wk = 0.0028818 k( 125) = ( -0.1373145 0.1373145 0.1373145), wk = 0.0028818 k( 126) = ( -0.1310729 0.1310729 0.1310729), wk = 0.0028818 k( 127) = ( -0.1248313 0.1248313 0.1248313), wk = 0.0028818 k( 128) = ( -0.1185898 0.1185898 0.1185898), wk = 0.0028818 k( 129) = ( -0.1123482 0.1123482 0.1123482), wk = 0.0028818 k( 130) = ( -0.1061066 0.1061066 0.1061066), wk = 0.0028818 k( 131) = ( -0.0998651 0.0998651 0.0998651), wk = 0.0028818 k( 132) = ( -0.0936235 0.0936235 0.0936235), wk = 0.0028818 k( 133) = ( -0.0873819 0.0873819 0.0873819), wk = 0.0028818 k( 134) = ( -0.0811404 0.0811404 0.0811404), wk = 0.0028818 k( 135) = ( -0.0748988 0.0748988 0.0748988), wk = 0.0028818 k( 136) = ( -0.0686572 0.0686572 0.0686572), wk = 0.0028818 k( 137) = ( -0.0624157 0.0624157 0.0624157), wk = 0.0028818 k( 138) = ( -0.0561741 0.0561741 0.0561741), wk = 0.0028818 k( 139) = ( -0.0499325 0.0499325 0.0499325), wk = 0.0028818 k( 140) = ( -0.0436910 0.0436910 0.0436910), wk = 0.0028818 k( 141) = ( -0.0374494 0.0374494 0.0374494), wk = 0.0028818 k( 142) = ( -0.0312078 0.0312078 0.0312078), wk = 0.0028818 k( 143) = ( -0.0249663 0.0249663 0.0249663), wk = 0.0028818 k( 144) = ( -0.0187247 0.0187247 0.0187247), wk = 0.0028818 k( 145) = ( -0.0124831 0.0124831 0.0124831), wk = 0.0028818 k( 146) = ( -0.0062416 0.0062416 0.0062416), wk = 0.0028818 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 149) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0028818 k( 150) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0028818 k( 151) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0028818 k( 152) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0028818 k( 153) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0028818 k( 154) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0028818 k( 155) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0028818 k( 156) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0028818 k( 157) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0028818 k( 158) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0028818 k( 159) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0028818 k( 160) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0028818 k( 161) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0028818 k( 162) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0028818 k( 163) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0028818 k( 164) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0028818 k( 165) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0028818 k( 166) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0028818 k( 167) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0028818 k( 168) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0028818 k( 169) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0028818 k( 170) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0028818 k( 171) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0028818 k( 172) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0028818 k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 175) = ( 0.4937397 0.5062603 -0.4937397), wk = 0.0028818 k( 176) = ( 0.4874794 0.5125206 -0.4874794), wk = 0.0028818 k( 177) = ( 0.4812191 0.5187809 -0.4812191), wk = 0.0028818 k( 178) = ( 0.4749588 0.5250412 -0.4749588), wk = 0.0028818 k( 179) = ( 0.4686985 0.5313015 -0.4686985), wk = 0.0028818 k( 180) = ( 0.4624381 0.5375618 -0.4624381), wk = 0.0028818 k( 181) = ( 0.4561778 0.5438222 -0.4561778), wk = 0.0028818 k( 182) = ( 0.4499175 0.5500825 -0.4499175), wk = 0.0028818 k( 183) = ( 0.4436572 0.5563428 -0.4436572), wk = 0.0028818 k( 184) = ( 0.4373969 0.5626031 -0.4373969), wk = 0.0028818 k( 185) = ( 0.4311366 0.5688634 -0.4311366), wk = 0.0028818 k( 186) = ( 0.4248763 0.5751237 -0.4248763), wk = 0.0028818 k( 187) = ( 0.4186160 0.5813840 -0.4186160), wk = 0.0028818 k( 188) = ( 0.4123557 0.5876443 -0.4123557), wk = 0.0028818 k( 189) = ( 0.4060954 0.5939046 -0.4060954), wk = 0.0028818 k( 190) = ( 0.3998351 0.6001649 -0.3998351), wk = 0.0028818 k( 191) = ( 0.3935748 0.6064252 -0.3935748), wk = 0.0028818 k( 192) = ( 0.3873145 0.6126855 -0.3873145), wk = 0.0028818 k( 193) = ( 0.3810541 0.6189459 -0.3810542), wk = 0.0028818 k( 194) = ( 0.3747938 0.6252061 -0.3747938), wk = 0.0028818 k( 195) = ( 0.3685335 0.6314665 -0.3685335), wk = 0.0028818 k( 196) = ( 0.3622732 0.6377268 -0.3622732), wk = 0.0028818 k( 197) = ( 0.3560129 0.6439871 -0.3560129), wk = 0.0028818 k( 198) = ( 0.3497526 0.6502474 -0.3497526), wk = 0.0028818 k( 199) = ( 0.3434923 0.6565077 -0.3434923), wk = 0.0028818 k( 200) = ( 0.3372320 0.6627680 -0.3372320), wk = 0.0028818 k( 201) = ( 0.3309717 0.6690283 -0.3309717), wk = 0.0028818 k( 202) = ( 0.3247114 0.6752886 -0.3247114), wk = 0.0028818 k( 203) = ( 0.3184511 0.6815489 -0.3184511), wk = 0.0028818 k( 204) = ( 0.3121908 0.6878092 -0.3121908), wk = 0.0028818 k( 205) = ( 0.3059305 0.6940695 -0.3059305), wk = 0.0028818 k( 206) = ( 0.2996702 0.7003298 -0.2996702), wk = 0.0028818 k( 207) = ( 0.2934099 0.7065902 -0.2934099), wk = 0.0028818 k( 208) = ( 0.2871495 0.7128505 -0.2871495), wk = 0.0028818 k( 209) = ( 0.2808892 0.7191108 -0.2808892), wk = 0.0028818 k( 210) = ( 0.2746289 0.7253711 -0.2746289), wk = 0.0028818 k( 211) = ( 0.2746289 0.7253711 -0.2746289), wk = 0.0028818 k( 212) = ( 0.2550126 0.7092731 -0.2550126), wk = 0.0028818 k( 213) = ( 0.2353962 0.6931752 -0.2353962), wk = 0.0028818 k( 214) = ( 0.2157799 0.6770773 -0.2157799), wk = 0.0028818 k( 215) = ( 0.1961635 0.6609793 -0.1961635), wk = 0.0028818 k( 216) = ( 0.1765472 0.6448814 -0.1765472), wk = 0.0028818 k( 217) = ( 0.1569308 0.6287835 -0.1569308), wk = 0.0028818 k( 218) = ( 0.1373145 0.6126855 -0.1373145), wk = 0.0028818 k( 219) = ( 0.1176981 0.5965876 -0.1176981), wk = 0.0028818 k( 220) = ( 0.0980818 0.5804897 -0.0980818), wk = 0.0028818 k( 221) = ( 0.0784654 0.5643917 -0.0784654), wk = 0.0028818 k( 222) = ( 0.0588490 0.5482938 -0.0588490), wk = 0.0028818 k( 223) = ( 0.0392327 0.5321959 -0.0392327), wk = 0.0028818 k( 224) = ( 0.0196164 0.5160979 -0.0196163), wk = 0.0028818 k( 225) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 226) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 227) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0028818 k( 228) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0028818 k( 229) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0028818 k( 230) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0028818 k( 231) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0028818 k( 232) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0028818 k( 233) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0028818 k( 234) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0028818 k( 235) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0028818 k( 236) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0028818 k( 237) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0028818 k( 238) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0028818 k( 239) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0028818 k( 240) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0028818 k( 241) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0028818 k( 242) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0028818 k( 243) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0028818 k( 244) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0028818 k( 245) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0028818 k( 246) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028818 k( 247) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0028818 k( 248) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0028818 k( 249) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0028818 k( 250) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0028818 k( 251) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0028818 k( 252) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0028818 k( 253) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0028818 k( 254) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0028818 k( 255) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0028818 k( 256) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0028818 k( 257) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0028818 k( 258) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0028818 k( 259) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0028818 k( 260) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0028818 k( 261) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0028818 k( 262) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0028818 k( 263) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0028818 k( 264) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0028818 k( 265) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0028818 k( 266) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 267) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 268) = ( 0.2678571 0.2678571 0.2286244), wk = 0.0028818 k( 269) = ( 0.2857143 0.2857143 0.2072489), wk = 0.0028818 k( 270) = ( 0.3035714 0.3035714 0.1858733), wk = 0.0028818 k( 271) = ( 0.3214286 0.3214286 0.1644978), wk = 0.0028818 k( 272) = ( 0.3392857 0.3392857 0.1431222), wk = 0.0028818 k( 273) = ( 0.3571429 0.3571429 0.1217466), wk = 0.0028818 k( 274) = ( 0.3750000 0.3750000 0.1003711), wk = 0.0028818 k( 275) = ( 0.3928571 0.3928571 0.0789955), wk = 0.0028818 k( 276) = ( 0.4107143 0.4107143 0.0576200), wk = 0.0028818 k( 277) = ( 0.4285714 0.4285714 0.0362444), wk = 0.0028818 k( 278) = ( 0.4464286 0.4464286 0.0148688), wk = 0.0028818 k( 279) = ( 0.4642857 0.4642857 -0.0065067), wk = 0.0028818 k( 280) = ( 0.4821429 0.4821429 -0.0278823), wk = 0.0028818 k( 281) = ( 0.5000000 0.5000000 -0.0492578), wk = 0.0028818 k( 282) = ( 0.5000000 0.5000000 -0.0492578), wk = 0.0028818 k( 283) = ( 0.5000000 0.5000000 -0.0580959), wk = 0.0028818 k( 284) = ( 0.5000000 0.5000000 -0.0669340), wk = 0.0028818 k( 285) = ( 0.5000000 0.5000000 -0.0757721), wk = 0.0028818 k( 286) = ( 0.5000000 0.5000000 -0.0846102), wk = 0.0028818 k( 287) = ( 0.5000000 0.5000000 -0.0934482), wk = 0.0028818 k( 288) = ( 0.5000000 0.5000000 -0.1022863), wk = 0.0028818 k( 289) = ( 0.5000000 0.5000000 -0.1111244), wk = 0.0028818 k( 290) = ( 0.5000000 0.5000000 -0.1199625), wk = 0.0028818 k( 291) = ( 0.5000000 0.5000000 -0.1288006), wk = 0.0028818 k( 292) = ( 0.5000000 0.5000000 -0.1376387), wk = 0.0028818 k( 293) = ( 0.5000000 0.5000000 -0.1464767), wk = 0.0028818 k( 294) = ( 0.5000000 0.5000000 -0.1553148), wk = 0.0028818 k( 295) = ( 0.5000000 0.5000000 -0.1641529), wk = 0.0028818 k( 296) = ( 0.5000000 0.5000000 -0.1729910), wk = 0.0028818 k( 297) = ( 0.5000000 0.5000000 -0.1818291), wk = 0.0028818 k( 298) = ( 0.5000000 0.5000000 -0.1906671), wk = 0.0028818 k( 299) = ( 0.5000000 0.5000000 -0.1995052), wk = 0.0028818 k( 300) = ( 0.5000000 0.5000000 -0.2083433), wk = 0.0028818 k( 301) = ( 0.5000000 0.5000000 -0.2171814), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 -0.2260195), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 -0.2348576), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 -0.2436956), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 -0.2525337), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 -0.2613718), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 -0.2702099), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 -0.2790480), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 -0.2878860), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 -0.2967241), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 -0.3055622), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 -0.3144003), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 -0.3232384), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 -0.3320764), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 -0.3409145), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 -0.3497526), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 -0.3585907), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 -0.3674288), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 -0.3762669), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 -0.3851049), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 -0.3939430), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 -0.4027811), wk = 0.0028818 k( 323) = ( 0.5000000 0.5000000 -0.4116192), wk = 0.0028818 k( 324) = ( 0.5000000 0.5000000 -0.4204573), wk = 0.0028818 k( 325) = ( 0.5000000 0.5000000 -0.4292953), wk = 0.0028818 k( 326) = ( 0.5000000 0.5000000 -0.4381334), wk = 0.0028818 k( 327) = ( 0.5000000 0.5000000 -0.4469715), wk = 0.0028818 k( 328) = ( 0.5000000 0.5000000 -0.4558096), wk = 0.0028818 k( 329) = ( 0.5000000 0.5000000 -0.4646477), wk = 0.0028818 k( 330) = ( 0.5000000 0.5000000 -0.4734858), wk = 0.0028818 k( 331) = ( 0.5000000 0.5000000 -0.4823238), wk = 0.0028818 k( 332) = ( 0.5000000 0.5000000 -0.4911619), wk = 0.0028818 k( 333) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 335) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0028818 k( 336) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0028818 k( 337) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0028818 k( 338) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0028818 k( 339) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0028818 k( 340) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0028818 k( 341) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0028818 k( 342) = ( 0.1538461 0.1538461 0.3461539), wk = 0.0028818 k( 343) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0028818 k( 344) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0028818 k( 345) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0028818 k( 346) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0028818 k( 347) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 Dense grid: 63839 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 38337 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 272, 64) NL pseudopotentials 0.35 Mb ( 136, 171) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1774) G-vector shells 0.01 Mb ( 840) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 272, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.33 Mb ( 171, 2, 64) The potential is recalculated from file : ./BaxPIrx2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.6 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 11.9 secs Computing kpt #: 11 total cpu time spent up to now is 12.8 secs Computing kpt #: 12 total cpu time spent up to now is 13.6 secs Computing kpt #: 13 total cpu time spent up to now is 14.4 secs Computing kpt #: 14 total cpu time spent up to now is 15.3 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 17.0 secs Computing kpt #: 17 total cpu time spent up to now is 17.8 secs Computing kpt #: 18 total cpu time spent up to now is 18.6 secs Computing kpt #: 19 total cpu time spent up to now is 19.5 secs Computing kpt #: 20 total cpu time spent up to now is 20.3 secs Computing kpt #: 21 total cpu time spent up to now is 21.1 secs Computing kpt #: 22 total cpu time spent up to now is 22.0 secs Computing kpt #: 23 total cpu time spent up to now is 22.9 secs Computing kpt #: 24 total cpu time spent up to now is 23.7 secs Computing kpt #: 25 total cpu time spent up to now is 24.6 secs Computing kpt #: 26 total cpu time spent up to now is 25.5 secs Computing kpt #: 27 total cpu time spent up to now is 26.4 secs Computing kpt #: 28 total cpu time spent up to now is 27.3 secs Computing kpt #: 29 total cpu time spent up to now is 28.2 secs Computing kpt #: 30 total cpu time spent up to now is 29.1 secs Computing kpt #: 31 total cpu time spent up to now is 30.0 secs Computing kpt #: 32 total cpu time spent up to now is 31.0 secs Computing kpt #: 33 total cpu time spent up to now is 31.9 secs Computing kpt #: 34 total cpu time spent up to now is 32.8 secs Computing kpt #: 35 total cpu time spent up to now is 33.7 secs Computing kpt #: 36 total cpu time spent up to now is 34.6 secs Computing kpt #: 37 total cpu time spent up to now is 35.5 secs Computing kpt #: 38 total cpu time spent up to now is 36.4 secs Computing kpt #: 39 total cpu time spent up to now is 37.3 secs Computing kpt #: 40 total cpu time spent up to now is 38.2 secs Computing kpt #: 41 total cpu time spent up to now is 39.0 secs Computing kpt #: 42 total cpu time spent up to now is 39.9 secs Computing kpt #: 43 total cpu time spent up to now is 40.7 secs Computing kpt #: 44 total cpu time spent up to now is 41.6 secs Computing kpt #: 45 total cpu time spent up to now is 42.4 secs Computing kpt #: 46 total cpu time spent up to now is 43.3 secs Computing kpt #: 47 total cpu time spent up to now is 44.2 secs Computing kpt #: 48 total cpu time spent up to now is 45.0 secs Computing kpt #: 49 total cpu time spent up to now is 45.9 secs Computing kpt #: 50 total cpu time spent up to now is 46.7 secs Computing kpt #: 51 total cpu time spent up to now is 47.6 secs Computing kpt #: 52 total cpu time spent up to now is 48.5 secs Computing kpt #: 53 total cpu time spent up to now is 49.4 secs Computing kpt #: 54 total cpu time spent up to now is 50.3 secs Computing kpt #: 55 total cpu time spent up to now is 51.2 secs Computing kpt #: 56 total cpu time spent up to now is 52.0 secs Computing kpt #: 57 total cpu time spent up to now is 52.9 secs Computing kpt #: 58 total cpu time spent up to now is 53.8 secs Computing kpt #: 59 total cpu time spent up to now is 54.7 secs Computing kpt #: 60 total cpu time spent up to now is 55.5 secs Computing kpt #: 61 total cpu time spent up to now is 56.4 secs Computing kpt #: 62 total cpu time spent up to now is 57.3 secs Computing kpt #: 63 total cpu time spent up to now is 58.2 secs Computing kpt #: 64 total cpu time spent up to now is 59.1 secs Computing kpt #: 65 total cpu time spent up to now is 60.0 secs Computing kpt #: 66 total cpu time spent up to now is 60.9 secs Computing kpt #: 67 total cpu time spent up to now is 61.8 secs Computing kpt #: 68 total cpu time spent up to now is 62.7 secs Computing kpt #: 69 total cpu time spent up to now is 63.6 secs Computing kpt #: 70 total cpu time spent up to now is 64.5 secs Computing kpt #: 71 total cpu time spent up to now is 65.4 secs Computing kpt #: 72 total cpu time spent up to now is 66.3 secs Computing kpt #: 73 total cpu time spent up to now is 67.2 secs Computing kpt #: 74 total cpu time spent up to now is 68.1 secs Computing kpt #: 75 total cpu time spent up to now is 69.0 secs Computing kpt #: 76 total cpu time spent up to now is 69.9 secs Computing kpt #: 77 total cpu time spent up to now is 70.8 secs Computing kpt #: 78 total cpu time spent up to now is 71.7 secs Computing kpt #: 79 total cpu time spent up to now is 72.5 secs Computing kpt #: 80 total cpu time spent up to now is 73.4 secs Computing kpt #: 81 total cpu time spent up to now is 74.3 secs Computing kpt #: 82 total cpu time spent up to now is 75.1 secs Computing kpt #: 83 total cpu time spent up to now is 76.0 secs Computing kpt #: 84 total cpu time spent up to now is 76.9 secs Computing kpt #: 85 total cpu time spent up to now is 77.7 secs Computing kpt #: 86 total cpu time spent up to now is 78.6 secs Computing kpt #: 87 total cpu time spent up to now is 79.5 secs Computing kpt #: 88 total cpu time spent up to now is 80.3 secs Computing kpt #: 89 total cpu time spent up to now is 81.3 secs Computing kpt #: 90 total cpu time spent up to now is 82.1 secs Computing kpt #: 91 total cpu time spent up to now is 83.0 secs Computing kpt #: 92 total cpu time spent up to now is 83.9 secs Computing kpt #: 93 total cpu time spent up to now is 84.9 secs Computing kpt #: 94 total cpu time spent up to now is 85.8 secs Computing kpt #: 95 total cpu time spent up to now is 86.7 secs Computing kpt #: 96 total cpu time spent up to now is 87.5 secs Computing kpt #: 97 total cpu time spent up to now is 88.4 secs Computing kpt #: 98 total cpu time spent up to now is 89.2 secs Computing kpt #: 99 total cpu time spent up to now is 90.1 secs Computing kpt #: 100 total cpu time spent up to now is 90.9 secs Computing kpt #: 101 total cpu time spent up to now is 91.7 secs Computing kpt #: 102 total cpu time spent up to now is 92.5 secs Computing kpt #: 103 total cpu time spent up to now is 93.4 secs Computing kpt #: 104 total cpu time spent up to now is 94.2 secs Computing kpt #: 105 total cpu time spent up to now is 95.0 secs Computing kpt #: 106 total cpu time spent up to now is 95.8 secs Computing kpt #: 107 total cpu time spent up to now is 96.7 secs Computing kpt #: 108 total cpu time spent up to now is 97.5 secs Computing kpt #: 109 total cpu time spent up to now is 98.4 secs Computing kpt #: 110 total cpu time spent up to now is 99.2 secs Computing kpt #: 111 total cpu time spent up to now is 100.1 secs Computing kpt #: 112 total cpu time spent up to now is 100.9 secs Computing kpt #: 113 total cpu time spent up to now is 101.8 secs Computing kpt #: 114 total cpu time spent up to now is 102.6 secs Computing kpt #: 115 total cpu time spent up to now is 103.5 secs Computing kpt #: 116 total cpu time spent up to now is 104.4 secs Computing kpt #: 117 total cpu time spent up to now is 105.2 secs Computing kpt #: 118 total cpu time spent up to now is 106.1 secs Computing kpt #: 119 total cpu time spent up to now is 107.0 secs Computing kpt #: 120 total cpu time spent up to now is 107.9 secs Computing kpt #: 121 total cpu time spent up to now is 108.8 secs Computing kpt #: 122 total cpu time spent up to now is 109.7 secs Computing kpt #: 123 total cpu time spent up to now is 110.6 secs Computing kpt #: 124 total cpu time spent up to now is 111.5 secs Computing kpt #: 125 total cpu time spent up to now is 112.4 secs Computing kpt #: 126 total cpu time spent up to now is 113.3 secs Computing kpt #: 127 total cpu time spent up to now is 114.1 secs Computing kpt #: 128 total cpu time spent up to now is 115.0 secs Computing kpt #: 129 total cpu time spent up to now is 115.8 secs Computing kpt #: 130 total cpu time spent up to now is 116.7 secs Computing kpt #: 131 total cpu time spent up to now is 117.5 secs Computing kpt #: 132 total cpu time spent up to now is 118.4 secs Computing kpt #: 133 total cpu time spent up to now is 119.2 secs Computing kpt #: 134 total cpu time spent up to now is 120.1 secs Computing kpt #: 135 total cpu time spent up to now is 120.9 secs Computing kpt #: 136 total cpu time spent up to now is 121.8 secs Computing kpt #: 137 total cpu time spent up to now is 122.7 secs Computing kpt #: 138 total cpu time spent up to now is 123.5 secs Computing kpt #: 139 total cpu time spent up to now is 124.4 secs Computing kpt #: 140 total cpu time spent up to now is 125.2 secs Computing kpt #: 141 total cpu time spent up to now is 126.1 secs Computing kpt #: 142 total cpu time spent up to now is 126.9 secs Computing kpt #: 143 total cpu time spent up to now is 127.8 secs Computing kpt #: 144 total cpu time spent up to now is 128.6 secs Computing kpt #: 145 total cpu time spent up to now is 129.4 secs Computing kpt #: 146 total cpu time spent up to now is 130.3 secs Computing kpt #: 147 total cpu time spent up to now is 131.1 secs Computing kpt #: 148 total cpu time spent up to now is 131.9 secs Computing kpt #: 149 total cpu time spent up to now is 132.8 secs Computing kpt #: 150 total cpu time spent up to now is 133.6 secs Computing kpt #: 151 total cpu time spent up to now is 134.4 secs Computing kpt #: 152 total cpu time spent up to now is 135.2 secs Computing kpt #: 153 total cpu time spent up to now is 136.1 secs Computing kpt #: 154 total cpu time spent up to now is 136.9 secs Computing kpt #: 155 total cpu time spent up to now is 137.7 secs Computing kpt #: 156 total cpu time spent up to now is 138.5 secs Computing kpt #: 157 total cpu time spent up to now is 139.4 secs Computing kpt #: 158 total cpu time spent up to now is 140.2 secs Computing kpt #: 159 total cpu time spent up to now is 141.0 secs Computing kpt #: 160 total cpu time spent up to now is 141.9 secs Computing kpt #: 161 total cpu time spent up to now is 142.7 secs Computing kpt #: 162 total cpu time spent up to now is 143.6 secs Computing kpt #: 163 total cpu time spent up to now is 144.4 secs Computing kpt #: 164 total cpu time spent up to now is 145.3 secs Computing kpt #: 165 total cpu time spent up to now is 146.1 secs Computing kpt #: 166 total cpu time spent up to now is 146.9 secs Computing kpt #: 167 total cpu time spent up to now is 147.8 secs Computing kpt #: 168 total cpu time spent up to now is 148.6 secs Computing kpt #: 169 total cpu time spent up to now is 149.5 secs Computing kpt #: 170 total cpu time spent up to now is 150.3 secs Computing kpt #: 171 total cpu time spent up to now is 151.1 secs Computing kpt #: 172 total cpu time spent up to now is 152.0 secs Computing kpt #: 173 total cpu time spent up to now is 152.8 secs Computing kpt #: 174 total cpu time spent up to now is 153.6 secs Computing kpt #: 175 total cpu time spent up to now is 154.5 secs Computing kpt #: 176 total cpu time spent up to now is 155.6 secs Computing kpt #: 177 total cpu time spent up to now is 156.5 secs Computing kpt #: 178 total cpu time spent up to now is 157.4 secs Computing kpt #: 179 total cpu time spent up to now is 158.3 secs Computing kpt #: 180 total cpu time spent up to now is 159.2 secs Computing kpt #: 181 total cpu time spent up to now is 160.0 secs Computing kpt #: 182 total cpu time spent up to now is 160.9 secs Computing kpt #: 183 total cpu time spent up to now is 161.8 secs Computing kpt #: 184 total cpu time spent up to now is 162.8 secs Computing kpt #: 185 total cpu time spent up to now is 163.7 secs Computing kpt #: 186 total cpu time spent up to now is 164.5 secs Computing kpt #: 187 total cpu time spent up to now is 165.4 secs Computing kpt #: 188 total cpu time spent up to now is 166.3 secs Computing kpt #: 189 total cpu time spent up to now is 167.1 secs Computing kpt #: 190 total cpu time spent up to now is 168.0 secs Computing kpt #: 191 total cpu time spent up to now is 168.9 secs Computing kpt #: 192 total cpu time spent up to now is 169.7 secs Computing kpt #: 193 total cpu time spent up to now is 170.6 secs Computing kpt #: 194 total cpu time spent up to now is 171.4 secs Computing kpt #: 195 total cpu time spent up to now is 172.3 secs Computing kpt #: 196 total cpu time spent up to now is 173.2 secs Computing kpt #: 197 total cpu time spent up to now is 174.1 secs Computing kpt #: 198 total cpu time spent up to now is 175.0 secs Computing kpt #: 199 total cpu time spent up to now is 175.9 secs Computing kpt #: 200 total cpu time spent up to now is 176.7 secs Computing kpt #: 201 total cpu time spent up to now is 177.5 secs Computing kpt #: 202 total cpu time spent up to now is 178.4 secs Computing kpt #: 203 total cpu time spent up to now is 179.2 secs Computing kpt #: 204 total cpu time spent up to now is 180.0 secs Computing kpt #: 205 total cpu time spent up to now is 180.9 secs Computing kpt #: 206 total cpu time spent up to now is 181.7 secs Computing kpt #: 207 total cpu time spent up to now is 182.5 secs Computing kpt #: 208 total cpu time spent up to now is 183.4 secs Computing kpt #: 209 total cpu time spent up to now is 184.2 secs Computing kpt #: 210 total cpu time spent up to now is 185.0 secs Computing kpt #: 211 total cpu time spent up to now is 185.8 secs Computing kpt #: 212 total cpu time spent up to now is 186.6 secs Computing kpt #: 213 total cpu time spent up to now is 187.5 secs Computing kpt #: 214 total cpu time spent up to now is 188.3 secs Computing kpt #: 215 total cpu time spent up to now is 189.1 secs Computing kpt #: 216 total cpu time spent up to now is 190.0 secs Computing kpt #: 217 total cpu time spent up to now is 190.8 secs Computing kpt #: 218 total cpu time spent up to now is 191.6 secs Computing kpt #: 219 total cpu time spent up to now is 192.5 secs Computing kpt #: 220 total cpu time spent up to now is 193.3 secs Computing kpt #: 221 total cpu time spent up to now is 194.2 secs Computing kpt #: 222 total cpu time spent up to now is 195.0 secs Computing kpt #: 223 total cpu time spent up to now is 195.8 secs Computing kpt #: 224 total cpu time spent up to now is 196.7 secs Computing kpt #: 225 total cpu time spent up to now is 197.5 secs Computing kpt #: 226 total cpu time spent up to now is 198.4 secs Computing kpt #: 227 total cpu time spent up to now is 199.2 secs Computing kpt #: 228 total cpu time spent up to now is 200.0 secs Computing kpt #: 229 total cpu time spent up to now is 200.9 secs Computing kpt #: 230 total cpu time spent up to now is 201.7 secs Computing kpt #: 231 total cpu time spent up to now is 202.6 secs Computing kpt #: 232 total cpu time spent up to now is 203.4 secs Computing kpt #: 233 total cpu time spent up to now is 204.3 secs Computing kpt #: 234 total cpu time spent up to now is 205.1 secs Computing kpt #: 235 total cpu time spent up to now is 206.0 secs Computing kpt #: 236 total cpu time spent up to now is 206.9 secs Computing kpt #: 237 total cpu time spent up to now is 207.8 secs Computing kpt #: 238 total cpu time spent up to now is 208.6 secs Computing kpt #: 239 total cpu time spent up to now is 209.5 secs Computing kpt #: 240 total cpu time spent up to now is 210.3 secs Computing kpt #: 241 total cpu time spent up to now is 211.2 secs Computing kpt #: 242 total cpu time spent up to now is 212.1 secs Computing kpt #: 243 total cpu time spent up to now is 212.9 secs Computing kpt #: 244 total cpu time spent up to now is 213.8 secs Computing kpt #: 245 total cpu time spent up to now is 214.6 secs Computing kpt #: 246 total cpu time spent up to now is 215.5 secs Computing kpt #: 247 total cpu time spent up to now is 216.3 secs Computing kpt #: 248 total cpu time spent up to now is 217.2 secs Computing kpt #: 249 total cpu time spent up to now is 218.1 secs Computing kpt #: 250 total cpu time spent up to now is 219.0 secs Computing kpt #: 251 total cpu time spent up to now is 219.8 secs Computing kpt #: 252 total cpu time spent up to now is 220.8 secs Computing kpt #: 253 total cpu time spent up to now is 221.7 secs Computing kpt #: 254 total cpu time spent up to now is 222.8 secs Computing kpt #: 255 total cpu time spent up to now is 223.7 secs Computing kpt #: 256 total cpu time spent up to now is 224.6 secs Computing kpt #: 257 total cpu time spent up to now is 225.5 secs Computing kpt #: 258 total cpu time spent up to now is 226.4 secs Computing kpt #: 259 total cpu time spent up to now is 227.3 secs Computing kpt #: 260 total cpu time spent up to now is 228.2 secs Computing kpt #: 261 total cpu time spent up to now is 229.1 secs Computing kpt #: 262 total cpu time spent up to now is 230.0 secs Computing kpt #: 263 total cpu time spent up to now is 231.1 secs Computing kpt #: 264 total cpu time spent up to now is 232.1 secs Computing kpt #: 265 total cpu time spent up to now is 233.2 secs Computing kpt #: 266 total cpu time spent up to now is 234.2 secs Computing kpt #: 267 total cpu time spent up to now is 235.2 secs Computing kpt #: 268 total cpu time spent up to now is 236.3 secs Computing kpt #: 269 total cpu time spent up to now is 237.2 secs Computing kpt #: 270 total cpu time spent up to now is 238.1 secs Computing kpt #: 271 total cpu time spent up to now is 239.0 secs Computing kpt #: 272 total cpu time spent up to now is 239.9 secs Computing kpt #: 273 total cpu time spent up to now is 240.8 secs Computing kpt #: 274 total cpu time spent up to now is 241.7 secs Computing kpt #: 275 total cpu time spent up to now is 242.6 secs Computing kpt #: 276 total cpu time spent up to now is 243.5 secs Computing kpt #: 277 total cpu time spent up to now is 244.4 secs Computing kpt #: 278 total cpu time spent up to now is 245.4 secs Computing kpt #: 279 total cpu time spent up to now is 246.3 secs Computing kpt #: 280 total cpu time spent up to now is 247.2 secs Computing kpt #: 281 total cpu time spent up to now is 248.1 secs Computing kpt #: 282 total cpu time spent up to now is 249.0 secs Computing kpt #: 283 total cpu time spent up to now is 249.9 secs Computing kpt #: 284 total cpu time spent up to now is 250.8 secs Computing kpt #: 285 total cpu time spent up to now is 251.7 secs Computing kpt #: 286 total cpu time spent up to now is 252.6 secs Computing kpt #: 287 total cpu time spent up to now is 253.5 secs Computing kpt #: 288 total cpu time spent up to now is 254.4 secs Computing kpt #: 289 total cpu time spent up to now is 255.3 secs Computing kpt #: 290 total cpu time spent up to now is 256.3 secs Computing kpt #: 291 total cpu time spent up to now is 257.2 secs Computing kpt #: 292 total cpu time spent up to now is 258.1 secs Computing kpt #: 293 total cpu time spent up to now is 259.0 secs Computing kpt #: 294 total cpu time spent up to now is 259.8 secs Computing kpt #: 295 total cpu time spent up to now is 260.7 secs Computing kpt #: 296 total cpu time spent up to now is 261.5 secs Computing kpt #: 297 total cpu time spent up to now is 262.3 secs Computing kpt #: 298 total cpu time spent up to now is 263.2 secs Computing kpt #: 299 total cpu time spent up to now is 264.0 secs Computing kpt #: 300 total cpu time spent up to now is 264.9 secs Computing kpt #: 301 total cpu time spent up to now is 265.7 secs Computing kpt #: 302 total cpu time spent up to now is 266.5 secs Computing kpt #: 303 total cpu time spent up to now is 267.4 secs Computing kpt #: 304 total cpu time spent up to now is 268.2 secs Computing kpt #: 305 total cpu time spent up to now is 269.0 secs Computing kpt #: 306 total cpu time spent up to now is 269.9 secs Computing kpt #: 307 total cpu time spent up to now is 270.7 secs Computing kpt #: 308 total cpu time spent up to now is 271.5 secs Computing kpt #: 309 total cpu time spent up to now is 272.4 secs Computing kpt #: 310 total cpu time spent up to now is 273.2 secs Computing kpt #: 311 total cpu time spent up to now is 274.0 secs Computing kpt #: 312 total cpu time spent up to now is 274.9 secs Computing kpt #: 313 total cpu time spent up to now is 275.7 secs Computing kpt #: 314 total cpu time spent up to now is 276.6 secs Computing kpt #: 315 total cpu time spent up to now is 277.5 secs Computing kpt #: 316 total cpu time spent up to now is 278.4 secs Computing kpt #: 317 total cpu time spent up to now is 279.3 secs Computing kpt #: 318 total cpu time spent up to now is 280.3 secs Computing kpt #: 319 total cpu time spent up to now is 281.2 secs Computing kpt #: 320 total cpu time spent up to now is 282.2 secs Computing kpt #: 321 total cpu time spent up to now is 283.2 secs Computing kpt #: 322 total cpu time spent up to now is 284.1 secs Computing kpt #: 323 total cpu time spent up to now is 285.0 secs Computing kpt #: 324 total cpu time spent up to now is 286.0 secs Computing kpt #: 325 total cpu time spent up to now is 286.9 secs Computing kpt #: 326 total cpu time spent up to now is 287.8 secs Computing kpt #: 327 total cpu time spent up to now is 288.7 secs Computing kpt #: 328 total cpu time spent up to now is 289.6 secs Computing kpt #: 329 total cpu time spent up to now is 290.5 secs Computing kpt #: 330 total cpu time spent up to now is 291.5 secs Computing kpt #: 331 total cpu time spent up to now is 292.4 secs Computing kpt #: 332 total cpu time spent up to now is 293.3 secs Computing kpt #: 333 total cpu time spent up to now is 294.1 secs Computing kpt #: 334 total cpu time spent up to now is 295.0 secs Computing kpt #: 335 total cpu time spent up to now is 295.9 secs Computing kpt #: 336 total cpu time spent up to now is 296.8 secs Computing kpt #: 337 total cpu time spent up to now is 297.7 secs Computing kpt #: 338 total cpu time spent up to now is 298.5 secs Computing kpt #: 339 total cpu time spent up to now is 299.4 secs Computing kpt #: 340 total cpu time spent up to now is 300.4 secs Computing kpt #: 341 total cpu time spent up to now is 301.3 secs Computing kpt #: 342 total cpu time spent up to now is 302.2 secs Computing kpt #: 343 total cpu time spent up to now is 303.1 secs Computing kpt #: 344 total cpu time spent up to now is 304.0 secs Computing kpt #: 345 total cpu time spent up to now is 304.9 secs Computing kpt #: 346 total cpu time spent up to now is 305.9 secs Computing kpt #: 347 total cpu time spent up to now is 307.0 secs ethr = 1.85E-08, avg # of iterations = 16.8 total cpu time spent up to now is 307.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4725 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7197 -44.7197 -44.6248 -44.6248 -31.4735 -31.4735 -31.1363 -31.1363 -31.0938 -31.0938 -31.0746 -31.0746 -13.1777 -13.1777 0.2083 0.2083 1.2938 1.2938 1.8769 1.8769 2.4469 2.4469 3.3006 3.3006 7.7521 7.7521 8.4109 8.4109 8.5748 8.5748 8.5957 8.5957 8.9815 8.9815 10.5015 10.5015 10.6268 10.6268 12.1099 12.1099 12.3673 12.3673 13.4622 13.4622 13.9570 13.9570 14.2005 14.2005 15.0182 15.0182 15.5260 15.5260 16.5968 16.5968 16.7582 16.7582 17.4325 17.4325 17.5677 17.5677 k = 0.0000 0.0000 0.0216 ( 4737 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7197 -44.7197 -44.6249 -44.6249 -31.4733 -31.4733 -31.1363 -31.1363 -31.0940 -31.0940 -31.0746 -31.0746 -13.1776 -13.1776 0.2080 0.2080 1.2944 1.2944 1.8774 1.8774 2.4467 2.4467 3.3005 3.3005 7.7539 7.7539 8.4095 8.4095 8.5687 8.5687 8.6042 8.6042 8.9813 8.9813 10.5002 10.5002 10.6260 10.6260 12.1084 12.1084 12.3691 12.3691 13.4591 13.4591 13.9536 13.9536 14.1971 14.1971 15.0189 15.0189 15.5256 15.5256 16.5998 16.5998 16.7590 16.7590 17.4305 17.4305 17.5648 17.5648 k = 0.0000 0.0000 0.0432 ( 4751 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7197 -44.7197 -44.6250 -44.6250 -31.4729 -31.4729 -31.1363 -31.1363 -31.0945 -31.0945 -31.0747 -31.0747 -13.1773 -13.1773 0.2073 0.2073 1.2964 1.2964 1.8790 1.8790 2.4460 2.4460 3.3003 3.3003 7.7591 7.7591 8.4050 8.4050 8.5603 8.5603 8.6201 8.6201 8.9808 8.9808 10.4959 10.4959 10.6237 10.6237 12.1040 12.1040 12.3746 12.3746 13.4501 13.4501 13.9436 13.9436 14.1870 14.1870 15.0210 15.0210 15.5246 15.5246 16.6088 16.6088 16.7610 16.7610 17.4232 17.4232 17.5581 17.5581 k = 0.0000 0.0000 0.0649 ( 4751 PWs) bands (ev): -77.8065 -77.8065 -77.7751 -77.7751 -44.7195 -44.7195 -44.6252 -44.6252 -31.4723 -31.4723 -31.1362 -31.1362 -31.0953 -31.0953 -31.0748 -31.0748 -13.1767 -13.1767 0.2061 0.2061 1.2996 1.2996 1.8817 1.8817 2.4448 2.4448 3.2999 3.2999 7.7677 7.7677 8.3973 8.3973 8.5548 8.5548 8.6386 8.6386 8.9799 8.9799 10.4875 10.4875 10.6213 10.6213 12.0972 12.0972 12.3832 12.3832 13.4353 13.4353 13.9270 13.9270 14.1704 14.1704 15.0245 15.0245 15.5231 15.5231 16.6232 16.6232 16.7636 16.7636 17.4074 17.4074 17.5533 17.5533 k = 0.0000 0.0000 0.0865 ( 4755 PWs) bands (ev): -77.8064 -77.8064 -77.7752 -77.7752 -44.7193 -44.7193 -44.6255 -44.6255 -31.4714 -31.4714 -31.1360 -31.1360 -31.0964 -31.0964 -31.0749 -31.0749 -13.1760 -13.1760 0.2044 0.2044 1.3041 1.3041 1.8854 1.8854 2.4432 2.4432 3.2994 3.2994 7.7795 7.7795 8.3864 8.3864 8.5535 8.5535 8.6585 8.6585 8.9790 8.9790 10.4734 10.4734 10.6200 10.6200 12.0885 12.0885 12.3943 12.3943 13.4147 13.4147 13.9040 13.9040 14.1475 14.1475 15.0294 15.0294 15.5212 15.5212 16.6426 16.6426 16.7652 16.7652 17.3814 17.3814 17.5553 17.5553 k = 0.0000 0.0000 0.1081 ( 4751 PWs) bands (ev): -77.8063 -77.8063 -77.7753 -77.7753 -44.7190 -44.7190 -44.6258 -44.6258 -31.4702 -31.4702 -31.1358 -31.1358 -31.0979 -31.0979 -31.0750 -31.0750 -13.1751 -13.1751 0.2022 0.2022 1.3097 1.3097 1.8901 1.8901 2.4414 2.4414 3.2988 3.2988 7.7940 7.7940 8.3726 8.3726 8.5564 8.5564 8.6798 8.6798 8.9780 8.9780 10.4523 10.4523 10.6213 10.6213 12.0787 12.0787 12.4071 12.4071 13.3886 13.3886 13.8748 13.8748 14.1187 14.1187 15.0356 15.0356 15.5192 15.5192 16.6659 16.6659 16.7636 16.7636 17.3487 17.3487 17.5653 17.5653 k = 0.0000 0.0000 0.1297 ( 4759 PWs) bands (ev): -77.8062 -77.8062 -77.7755 -77.7755 -44.7186 -44.7186 -44.6262 -44.6262 -31.4688 -31.4688 -31.1356 -31.1356 -31.0999 -31.0999 -31.0750 -31.0750 -13.1739 -13.1739 0.1996 0.1996 1.3165 1.3165 1.8958 1.8958 2.4393 2.4393 3.2980 3.2980 7.8109 7.8109 8.3566 8.3566 8.5632 8.5632 8.7021 8.7021 8.9774 8.9774 10.4237 10.4237 10.6253 10.6253 12.0682 12.0682 12.4211 12.4211 13.3574 13.3574 13.8397 13.8397 14.0842 14.0842 15.0430 15.0430 15.5174 15.5174 16.6922 16.6922 16.7556 16.7556 17.3156 17.3156 17.5822 17.5822 k = 0.0000 0.0000 0.1513 ( 4763 PWs) bands (ev): -77.8060 -77.8060 -77.7756 -77.7756 -44.7182 -44.7182 -44.6266 -44.6266 -31.4671 -31.4671 -31.1353 -31.1353 -31.1022 -31.1022 -31.0750 -31.0750 -13.1726 -13.1726 0.1965 0.1965 1.3243 1.3243 1.9025 1.9025 2.4372 2.4372 3.2971 3.2971 7.8293 7.8293 8.3397 8.3397 8.5736 8.5736 8.7254 8.7254 8.9774 8.9774 10.3877 10.3877 10.6320 10.6320 12.0576 12.0576 12.4357 12.4357 13.3212 13.3212 13.7992 13.7992 14.0445 14.0445 15.0516 15.0516 15.5159 15.5159 16.7191 16.7191 16.7389 16.7389 17.2891 17.2891 17.6047 17.6047 k = 0.0000 0.0000 0.1730 ( 4773 PWs) bands (ev): -77.8059 -77.8059 -77.7758 -77.7758 -44.7178 -44.7178 -44.6272 -44.6272 -31.4653 -31.4653 -31.1350 -31.1350 -31.1050 -31.1050 -31.0748 -31.0748 -13.1711 -13.1711 0.1929 0.1929 1.3331 1.3331 1.9100 1.9100 2.4351 2.4351 3.2960 3.2960 7.8483 7.8483 8.3231 8.3231 8.5870 8.5870 8.7497 8.7497 8.9784 8.9784 10.3447 10.3447 10.6408 10.6408 12.0469 12.0469 12.4503 12.4503 13.2805 13.2805 13.7538 13.7538 14.0001 14.0001 15.0613 15.0613 15.5149 15.5149 16.7044 16.7044 16.7515 16.7515 17.2746 17.2746 17.6316 17.6316 k = 0.0000 0.0000 0.1946 ( 4781 PWs) bands (ev): -77.8057 -77.8057 -77.7760 -77.7760 -44.7172 -44.7172 -44.6278 -44.6278 -31.4632 -31.4632 -31.1346 -31.1346 -31.1082 -31.1082 -31.0746 -31.0746 -13.1694 -13.1694 0.1889 0.1889 1.3427 1.3427 1.9183 1.9183 2.4334 2.4334 3.2948 3.2948 7.8664 7.8664 8.3083 8.3083 8.6032 8.6032 8.7748 8.7748 8.9809 8.9809 10.2953 10.2953 10.6511 10.6511 12.0364 12.0364 12.4645 12.4645 13.2357 13.2357 13.7040 13.7040 13.9514 13.9514 15.0718 15.0718 15.5144 15.5144 16.6601 16.6601 16.7799 16.7799 17.2745 17.2745 17.6626 17.6626 k = 0.0000 0.0000 0.2162 ( 4783 PWs) bands (ev): -77.8054 -77.8054 -77.7763 -77.7763 -44.7166 -44.7166 -44.6285 -44.6285 -31.4609 -31.4609 -31.1341 -31.1341 -31.1119 -31.1119 -31.0742 -31.0742 -13.1675 -13.1675 0.1846 0.1846 1.3531 1.3531 1.9273 1.9273 2.4321 2.4321 3.2934 3.2934 7.8817 7.8817 8.2976 8.2976 8.6217 8.6217 8.8005 8.8005 8.9854 8.9854 10.2399 10.2399 10.6624 10.6624 12.0262 12.0262 12.4777 12.4777 13.1873 13.1873 13.6505 13.6505 13.8990 13.8990 15.0829 15.0829 15.5145 15.5145 16.6037 16.6037 16.8071 16.8071 17.2886 17.2886 17.6970 17.6970 k = 0.0000 0.0000 0.2378 ( 4799 PWs) bands (ev): -77.8052 -77.8052 -77.7765 -77.7765 -44.7159 -44.7159 -44.6293 -44.6293 -31.4584 -31.4584 -31.1336 -31.1336 -31.1159 -31.1159 -31.0738 -31.0738 -13.1654 -13.1654 0.1798 0.1798 1.3642 1.3642 1.9368 1.9368 2.4317 2.4317 3.2919 3.2919 7.8920 7.8920 8.2931 8.2931 8.6424 8.6424 8.8264 8.8264 8.9927 8.9927 10.1790 10.1790 10.6742 10.6742 12.0161 12.0161 12.4895 12.4895 13.1358 13.1358 13.5939 13.5939 13.8434 13.8434 15.0946 15.0946 15.5150 15.5150 16.5390 16.5390 16.8317 16.8317 17.3146 17.3146 17.7345 17.7345 k = 0.0000 0.0000 0.2595 ( 4807 PWs) bands (ev): -77.8050 -77.8050 -77.7768 -77.7768 -44.7152 -44.7152 -44.6301 -44.6301 -31.4557 -31.4557 -31.1330 -31.1330 -31.1203 -31.1203 -31.0733 -31.0733 -13.1632 -13.1632 0.1746 0.1746 1.3758 1.3758 1.9466 1.9466 2.4322 2.4322 3.2902 3.2902 7.8950 7.8950 8.2970 8.2970 8.6648 8.6648 8.8521 8.8521 9.0037 9.0037 10.1130 10.1130 10.6861 10.6861 12.0061 12.0061 12.4992 12.4992 13.0817 13.0817 13.5350 13.5350 13.7855 13.7855 15.1063 15.1063 15.5158 15.5158 16.4696 16.4696 16.8525 16.8525 17.3502 17.3502 17.7749 17.7749 k = 0.0000 0.0000 0.2811 ( 4801 PWs) bands (ev): -77.8047 -77.8047 -77.7770 -77.7770 -44.7144 -44.7144 -44.6309 -44.6309 -31.4528 -31.4528 -31.1323 -31.1323 -31.1250 -31.1250 -31.0727 -31.0727 -13.1608 -13.1608 0.1691 0.1691 1.3880 1.3880 1.9564 1.9564 2.4341 2.4341 3.2885 3.2885 7.8894 7.8894 8.3108 8.3108 8.6886 8.6886 8.8770 8.8770 9.0192 9.0192 10.0425 10.0425 10.6979 10.6979 11.9959 11.9959 12.5062 12.5062 13.0258 13.0258 13.4745 13.4745 13.7257 13.7257 15.1180 15.1180 15.5166 15.5166 16.3986 16.3986 16.8686 16.8686 17.3931 17.3931 17.8180 17.8180 k = 0.0000 0.0000 0.3027 ( 4797 PWs) bands (ev): -77.8044 -77.8044 -77.7773 -77.7773 -44.7135 -44.7135 -44.6318 -44.6318 -31.4498 -31.4498 -31.1321 -31.1321 -31.1296 -31.1296 -31.0720 -31.0720 -13.1582 -13.1582 0.1632 0.1632 1.4004 1.4004 1.9661 1.9661 2.4377 2.4377 3.2866 3.2866 7.8752 7.8752 8.3343 8.3343 8.7137 8.7137 8.9008 8.9008 9.0399 9.0399 9.9678 9.9678 10.7092 10.7092 11.9850 11.9850 12.5096 12.5096 12.9690 12.9690 13.4129 13.4129 13.6648 13.6648 15.1292 15.1292 15.5171 15.5171 16.3285 16.3285 16.8790 16.8790 17.4416 17.4416 17.8636 17.8636 k = 0.0000 0.0000 0.3243 ( 4793 PWs) bands (ev): -77.8041 -77.8041 -77.7776 -77.7776 -44.7126 -44.7126 -44.6328 -44.6328 -31.4466 -31.4466 -31.1359 -31.1359 -31.1302 -31.1302 -31.0712 -31.0712 -13.1555 -13.1555 0.1570 0.1570 1.4132 1.4132 1.9754 1.9754 2.4432 2.4432 3.2846 3.2846 7.8533 7.8533 8.3665 8.3665 8.7394 8.7394 8.9238 8.9238 9.0661 9.0661 9.8893 9.8893 10.7197 10.7197 11.9732 11.9732 12.5086 12.5086 12.9122 12.9122 13.3511 13.3511 13.6032 13.6032 15.1396 15.1396 15.5171 15.5171 16.2614 16.2614 16.8830 16.8830 17.4944 17.4944 17.9114 17.9114 k = 0.0000 0.0000 0.3459 ( 4809 PWs) bands (ev): -77.8038 -77.8038 -77.7780 -77.7780 -44.7117 -44.7117 -44.6339 -44.6339 -31.4434 -31.4434 -31.1415 -31.1415 -31.1294 -31.1294 -31.0705 -31.0705 -13.1527 -13.1527 0.1506 0.1506 1.4262 1.4262 1.9840 1.9840 2.4509 2.4509 3.2824 3.2824 7.8252 7.8252 8.4058 8.4058 8.7655 8.7655 8.9465 8.9465 9.0973 9.0973 9.8078 9.8078 10.7293 10.7293 11.9599 11.9599 12.5021 12.5021 12.8564 12.8564 13.2894 13.2894 13.5416 13.5416 15.1488 15.1488 15.5164 15.5164 16.1989 16.1989 16.8800 16.8800 17.5502 17.5502 17.9613 17.9613 k = 0.0000 0.0000 0.3676 ( 4813 PWs) bands (ev): -77.8034 -77.8034 -77.7783 -77.7783 -44.7107 -44.7107 -44.6349 -44.6349 -31.4401 -31.4401 -31.1475 -31.1475 -31.1283 -31.1283 -31.0696 -31.0696 -13.1497 -13.1497 0.1439 0.1439 1.4393 1.4393 1.9916 1.9916 2.4612 2.4612 3.2802 3.2802 7.7925 7.7925 8.4505 8.4505 8.7916 8.7916 8.9698 8.9698 9.1330 9.1330 9.7238 9.7238 10.7379 10.7379 11.9446 11.9446 12.4889 12.4889 12.8031 12.8031 13.2286 13.2286 13.4806 13.4806 15.1565 15.1565 15.5149 15.5149 16.1422 16.1422 16.8697 16.8697 17.6081 17.6081 18.0132 18.0132 k = 0.0000 0.0000 0.3892 ( 4809 PWs) bands (ev): -77.8031 -77.8031 -77.7787 -77.7787 -44.7096 -44.7096 -44.6360 -44.6360 -31.4366 -31.4366 -31.1538 -31.1538 -31.1271 -31.1271 -31.0687 -31.0687 -13.1466 -13.1466 0.1369 0.1369 1.4524 1.4524 1.9981 1.9981 2.4742 2.4742 3.2780 3.2780 7.7564 7.7564 8.4993 8.4993 8.8174 8.8174 8.9947 8.9947 9.1721 9.1721 9.6382 9.6382 10.7452 10.7452 11.9265 11.9265 12.4684 12.4684 12.7534 12.7534 13.1690 13.1690 13.4207 13.4207 15.1623 15.1623 15.5127 15.5127 16.0923 16.0923 16.8516 16.8516 17.6670 17.6670 18.0671 18.0671 k = 0.0000 0.0000 0.4108 ( 4809 PWs) bands (ev): -77.8027 -77.8027 -77.7790 -77.7790 -44.7085 -44.7085 -44.6372 -44.6372 -31.4331 -31.4331 -31.1602 -31.1602 -31.1257 -31.1257 -31.0677 -31.0677 -13.1434 -13.1434 0.1298 0.1298 1.4655 1.4655 2.0035 2.0035 2.4899 2.4899 3.2756 3.2756 7.7178 7.7178 8.5511 8.5511 8.8425 8.8425 9.0213 9.0213 9.2132 9.2132 9.5528 9.5528 10.7514 10.7514 11.9048 11.9048 12.4404 12.4404 12.7077 12.7077 13.1109 13.1109 13.3624 13.3624 15.1659 15.1659 15.5100 15.5100 16.0496 16.0496 16.8257 16.8257 17.7260 17.7260 18.1226 18.1226 k = 0.0000 0.0000 0.4324 ( 4817 PWs) bands (ev): -77.8023 -77.8023 -77.7794 -77.7794 -44.7074 -44.7074 -44.6385 -44.6385 -31.4296 -31.4296 -31.1670 -31.1670 -31.1242 -31.1242 -31.0667 -31.0667 -13.1401 -13.1401 0.1225 0.1225 1.4785 1.4785 2.0075 2.0075 2.5084 2.5084 3.2732 3.2732 7.6775 7.6775 8.6050 8.6050 8.8668 8.8668 9.0493 9.0493 9.2534 9.2534 9.4716 9.4716 10.7564 10.7564 11.8790 11.8790 12.4059 12.4059 12.6657 12.6657 13.0544 13.0544 13.3062 13.3062 15.1668 15.1668 15.5072 15.5072 16.0142 16.0142 16.7918 16.7918 17.7841 17.7841 18.1799 18.1799 k = 0.0000 0.0000 0.4540 ( 4817 PWs) bands (ev): -77.8019 -77.8019 -77.7798 -77.7798 -44.7063 -44.7063 -44.6397 -44.6397 -31.4261 -31.4261 -31.1739 -31.1739 -31.1226 -31.1226 -31.0656 -31.0656 -13.1367 -13.1367 0.1151 0.1151 1.4914 1.4914 2.0104 2.0104 2.5295 2.5295 3.2709 3.2709 7.6360 7.6360 8.6599 8.6599 8.8900 8.8900 9.0768 9.0768 9.2799 9.2799 9.4098 9.4098 10.7602 10.7602 11.8483 11.8483 12.3666 12.3666 12.6261 12.6261 12.9995 12.9995 13.2528 13.2528 15.1649 15.1649 15.5049 15.5049 15.9860 15.9860 16.7500 16.7500 17.8401 17.8401 18.2387 18.2387 k = 0.0000 0.0000 0.4757 ( 4825 PWs) bands (ev): -77.8015 -77.8015 -77.7802 -77.7802 -44.7051 -44.7051 -44.6410 -44.6410 -31.4226 -31.4226 -31.1809 -31.1809 -31.1208 -31.1208 -31.0646 -31.0646 -13.1332 -13.1332 0.1076 0.1076 1.5040 1.5040 2.0122 2.0122 2.5530 2.5530 3.2685 3.2685 7.5938 7.5938 8.7147 8.7147 8.9116 8.9116 9.0977 9.0977 9.2609 9.2609 9.4070 9.4070 10.7630 10.7630 11.8123 11.8123 12.3245 12.3245 12.5877 12.5877 12.9458 12.9458 13.2027 13.2027 15.1600 15.1600 15.5036 15.5036 15.9642 15.9642 16.7002 16.7002 17.8929 17.8929 18.2991 18.2991 k = 0.0000 0.0000 0.4973 ( 4815 PWs) bands (ev): -77.8011 -77.8011 -77.7806 -77.7806 -44.7039 -44.7039 -44.6422 -44.6422 -31.4190 -31.4190 -31.1881 -31.1881 -31.1189 -31.1189 -31.0635 -31.0635 -13.1297 -13.1297 0.1001 0.1001 1.5164 1.5164 2.0131 2.0131 2.5787 2.5787 3.2662 3.2662 7.5514 7.5514 8.7668 8.7668 8.9295 8.9295 9.0937 9.0937 9.2346 9.2346 9.4473 9.4473 10.7651 10.7651 11.7708 11.7708 12.2813 12.2813 12.5494 12.5494 12.8928 12.8928 13.1566 13.1566 15.1519 15.1519 15.5040 15.5040 15.9483 15.9483 16.6429 16.6429 17.9410 17.9410 18.3610 18.3610 k = 0.0000 0.0000 0.5189 ( 4811 PWs) bands (ev): -77.8007 -77.8007 -77.7810 -77.7810 -44.7027 -44.7027 -44.6435 -44.6435 -31.4156 -31.4156 -31.1954 -31.1954 -31.1169 -31.1169 -31.0623 -31.0623 -13.1261 -13.1261 0.0925 0.0925 1.5284 1.5284 2.0133 2.0133 2.6063 2.6063 3.2639 3.2639 7.5090 7.5090 8.8079 8.8079 8.9393 8.9393 9.0638 9.0638 9.2456 9.2456 9.4995 9.4995 10.7665 10.7665 11.7242 11.7242 12.2379 12.2379 12.5105 12.5105 12.8401 12.8401 13.1149 13.1149 15.1406 15.1406 15.5062 15.5062 15.9373 15.9373 16.5781 16.5781 17.9829 17.9829 18.4244 18.4244 k = 0.0000 0.0000 0.5405 ( 4823 PWs) bands (ev): -77.8003 -77.8003 -77.7814 -77.7814 -44.7014 -44.7014 -44.6449 -44.6449 -31.4122 -31.4122 -31.2028 -31.2028 -31.1147 -31.1147 -31.0612 -31.0612 -13.1224 -13.1224 0.0849 0.0849 1.5400 1.5400 2.0129 2.0129 2.6354 2.6354 3.2618 3.2618 7.4671 7.4671 8.8094 8.8094 8.9502 8.9502 9.0510 9.0510 9.2771 9.2771 9.5563 9.5563 10.7676 10.7676 11.6729 11.6729 12.1944 12.1944 12.4710 12.4710 12.7872 12.7872 13.0779 13.0779 15.1259 15.1259 15.5103 15.5103 15.9305 15.9305 16.5066 16.5066 18.0169 18.0169 18.4893 18.4893 k = 0.0000 0.0000 0.5622 ( 4823 PWs) bands (ev): -77.7998 -77.7998 -77.7819 -77.7819 -44.7002 -44.7002 -44.6462 -44.6462 -31.4088 -31.4088 -31.2103 -31.2103 -31.1123 -31.1123 -31.0600 -31.0600 -13.1187 -13.1187 0.0773 0.0773 1.5512 1.5512 2.0122 2.0122 2.6658 2.6658 3.2598 3.2598 7.4259 7.4259 8.7538 8.7538 8.9865 8.9865 9.0635 9.0635 9.3158 9.3158 9.6158 9.6158 10.7687 10.7687 11.6178 11.6178 12.1507 12.1507 12.4310 12.4310 12.7340 12.7340 13.0457 13.0457 15.1077 15.1077 15.5159 15.5159 15.9271 15.9271 16.4291 16.4291 18.0416 18.0416 18.5559 18.5559 k = 0.0000 0.0000 0.5838 ( 4813 PWs) bands (ev): -77.7994 -77.7994 -77.7823 -77.7823 -44.6989 -44.6989 -44.6475 -44.6475 -31.4055 -31.4055 -31.2178 -31.2178 -31.1098 -31.1098 -31.0588 -31.0588 -13.1150 -13.1150 0.0698 0.0698 1.5619 1.5619 2.0114 2.0114 2.6970 2.6970 3.2580 3.2580 7.3857 7.3857 8.6716 8.6716 9.0350 9.0350 9.0882 9.0882 9.3577 9.3577 9.6770 9.6770 10.7701 10.7701 11.5599 11.5599 12.1063 12.1063 12.3907 12.3907 12.6807 12.6807 13.0184 13.0184 15.0860 15.0860 15.5225 15.5225 15.9262 15.9262 16.3469 16.3469 18.0558 18.0558 18.6239 18.6239 k = 0.0000 0.0000 0.6054 ( 4813 PWs) bands (ev): -77.7990 -77.7990 -77.7827 -77.7827 -44.6977 -44.6977 -44.6489 -44.6489 -31.4024 -31.4024 -31.2254 -31.2254 -31.1072 -31.1072 -31.0576 -31.0576 -13.1113 -13.1113 0.0624 0.0624 1.5721 1.5721 2.0107 2.0107 2.7287 2.7287 3.2563 3.2563 7.3468 7.3468 8.5803 8.5803 9.0834 9.0834 9.1214 9.1214 9.4011 9.4011 9.7395 9.7395 10.7722 10.7722 11.5001 11.5001 12.0606 12.0606 12.3504 12.3504 12.6276 12.6276 12.9957 12.9957 15.0605 15.0605 15.5288 15.5288 15.9265 15.9265 16.2617 16.2617 18.0593 18.0593 18.6932 18.6932 k = 0.0000 0.0000 0.6270 ( 4817 PWs) bands (ev): -77.7985 -77.7985 -77.7832 -77.7832 -44.6964 -44.6964 -44.6502 -44.6502 -31.3994 -31.3994 -31.2329 -31.2329 -31.1044 -31.1044 -31.0564 -31.0564 -13.1076 -13.1076 0.0552 0.0552 1.5816 1.5816 2.0101 2.0101 2.7606 2.7606 3.2550 3.2550 7.3093 7.3093 8.4857 8.4857 9.1246 9.1246 9.1654 9.1654 9.4453 9.4453 9.8027 9.8027 10.7755 10.7755 11.4392 11.4392 12.0133 12.0133 12.3100 12.3100 12.5753 12.5753 12.9774 12.9774 15.0311 15.0311 15.5332 15.5332 15.9259 15.9259 16.1773 16.1773 18.0528 18.0528 18.7617 18.7617 k = 0.0000 0.0000 0.6486 ( 4819 PWs) bands (ev): -77.7981 -77.7981 -77.7836 -77.7836 -44.6952 -44.6952 -44.6516 -44.6516 -31.3965 -31.3965 -31.2405 -31.2405 -31.1015 -31.1015 -31.0552 -31.0552 -13.1039 -13.1039 0.0480 0.0480 1.5906 1.5906 2.0099 2.0099 2.7923 2.7923 3.2539 3.2539 7.2735 7.2735 8.3898 8.3898 9.1598 9.1598 9.2171 9.2171 9.4897 9.4897 9.8662 9.8662 10.7802 10.7802 11.3780 11.3780 11.9642 11.9642 12.2695 12.2695 12.5247 12.5247 12.9631 12.9631 14.9977 14.9977 15.5332 15.5332 15.9188 15.9188 16.1010 16.1010 18.0387 18.0387 18.8071 18.8071 k = 0.0000 0.0000 0.6703 ( 4823 PWs) bands (ev): -77.7977 -77.7977 -77.7840 -77.7840 -44.6939 -44.6939 -44.6530 -44.6530 -31.3937 -31.3937 -31.2480 -31.2480 -31.0985 -31.0985 -31.0540 -31.0540 -13.1002 -13.1002 0.0411 0.0411 1.5989 1.5989 2.0101 2.0101 2.8237 2.8237 3.2530 3.2530 7.2397 7.2397 8.2940 8.2940 9.1933 9.1933 9.2713 9.2713 9.5340 9.5340 9.9296 9.9296 10.7867 10.7867 11.3172 11.3172 11.9132 11.9132 12.2284 12.2284 12.4767 12.4767 12.9524 12.9524 14.9600 14.9600 15.5246 15.5246 15.8941 15.8941 16.0477 16.0477 18.0200 18.0200 18.8156 18.8156 k = 0.0000 0.0000 0.6919 ( 4821 PWs) bands (ev): -77.7972 -77.7972 -77.7844 -77.7844 -44.6926 -44.6926 -44.6543 -44.6543 -31.3910 -31.3910 -31.2554 -31.2554 -31.0954 -31.0954 -31.0528 -31.0528 -13.0965 -13.0965 0.0343 0.0343 1.6066 1.6066 2.0108 2.0108 2.8543 2.8543 3.2526 3.2526 7.2080 7.2080 8.1989 8.1989 9.2264 9.2264 9.3259 9.3259 9.5776 9.5776 9.9925 9.9925 10.7956 10.7956 11.2573 11.2573 11.8605 11.8605 12.1862 12.1862 12.4325 12.4325 12.9450 12.9450 14.9181 14.9181 15.5014 15.5014 15.8488 15.8488 16.0259 16.0259 18.0004 18.0004 18.8242 18.8242 k = 0.0000 0.0000 0.7135 ( 4817 PWs) bands (ev): -77.7968 -77.7968 -77.7849 -77.7849 -44.6914 -44.6914 -44.6556 -44.6556 -31.3885 -31.3885 -31.2627 -31.2627 -31.0922 -31.0922 -31.0516 -31.0516 -13.0929 -13.0929 0.0278 0.0278 1.6137 1.6137 2.0121 2.0121 2.8839 2.8839 3.2524 3.2524 7.1785 7.1785 8.1050 8.1050 9.2595 9.2595 9.3802 9.3802 9.6202 9.6202 10.0544 10.0544 10.8069 10.8069 11.1988 11.1988 11.8063 11.8063 12.1423 12.1423 12.3933 12.3933 12.9405 12.9405 14.8717 14.8717 15.4564 15.4564 15.8024 15.8024 16.0228 16.0228 17.9833 17.9833 18.8360 18.8360 k = 0.0000 0.0000 0.7351 ( 4817 PWs) bands (ev): -77.7964 -77.7964 -77.7853 -77.7853 -44.6902 -44.6902 -44.6570 -44.6570 -31.3862 -31.3862 -31.2699 -31.2699 -31.0889 -31.0889 -31.0505 -31.0505 -13.0894 -13.0894 0.0214 0.0214 1.6202 1.6202 2.0139 2.0139 2.9123 2.9123 3.2527 3.2527 7.1515 7.1515 8.0128 8.0128 9.2923 9.2923 9.4339 9.4339 9.6616 9.6616 10.1149 10.1149 10.8212 10.8212 11.1421 11.1421 11.7509 11.7509 12.0965 12.0965 12.3599 12.3599 12.9386 12.9386 14.8208 14.8208 15.3871 15.3871 15.7692 15.7692 16.0261 16.0261 17.9718 17.9718 18.8499 18.8499 k = 0.0000 0.0000 0.7567 ( 4809 PWs) bands (ev): -77.7960 -77.7960 -77.7857 -77.7857 -44.6890 -44.6890 -44.6582 -44.6582 -31.3840 -31.3840 -31.2770 -31.2770 -31.0855 -31.0855 -31.0493 -31.0493 -13.0859 -13.0859 0.0153 0.0153 1.6261 1.6261 2.0162 2.0162 2.9393 2.9393 3.2533 3.2533 7.1269 7.1269 7.9226 7.9226 9.3248 9.3248 9.4869 9.4869 9.7014 9.7014 10.1739 10.1739 10.8383 10.8383 11.0878 11.0878 11.6947 11.6947 12.0486 12.0486 12.3330 12.3330 12.9389 12.9389 14.7652 14.7652 15.2982 15.2982 15.7499 15.7499 16.0306 16.0306 17.9684 17.9684 18.8633 18.8633 k = 0.0000 0.0000 0.7784 ( 4813 PWs) bands (ev): -77.7956 -77.7956 -77.7861 -77.7861 -44.6878 -44.6878 -44.6595 -44.6595 -31.3819 -31.3819 -31.2839 -31.2839 -31.0821 -31.0821 -31.0482 -31.0482 -13.0824 -13.0824 0.0095 0.0095 1.6314 1.6314 2.0191 2.0191 2.9647 2.9647 3.2543 3.2543 7.1050 7.1050 7.8347 7.8347 9.3566 9.3566 9.5390 9.5390 9.7392 9.7392 10.2308 10.2308 10.8584 10.8584 11.0363 11.0363 11.6379 11.6379 11.9988 11.9988 12.3127 12.3127 12.9411 12.9411 14.7046 14.7046 15.1969 15.1969 15.7395 15.7395 16.0340 16.0340 17.9746 17.9746 18.8737 18.8737 k = 0.0000 0.0000 0.8000 ( 4815 PWs) bands (ev): -77.7952 -77.7952 -77.7865 -77.7865 -44.6867 -44.6867 -44.6607 -44.6607 -31.3800 -31.3800 -31.2906 -31.2906 -31.0787 -31.0787 -31.0471 -31.0471 -13.0791 -13.0791 0.0039 0.0039 1.6363 1.6363 2.0225 2.0225 2.9882 2.9882 3.2558 3.2558 7.0858 7.0858 7.7493 7.7493 9.3875 9.3875 9.5901 9.5901 9.7748 9.7748 10.2852 10.2852 10.8804 10.8804 10.9892 10.9892 11.5809 11.5809 11.9478 11.9478 12.2992 12.2992 12.9448 12.9448 14.6387 14.6387 15.0889 15.0889 15.7341 15.7341 16.0352 16.0352 17.9914 17.9914 18.8794 18.8794 k = 0.0000 0.0000 0.8216 ( 4811 PWs) bands (ev): -77.7948 -77.7948 -77.7868 -77.7868 -44.6856 -44.6856 -44.6619 -44.6619 -31.3783 -31.3783 -31.2972 -31.2972 -31.0753 -31.0753 -31.0460 -31.0460 -13.0759 -13.0759 -0.0014 -0.0014 1.6407 1.6407 2.0263 2.0263 3.0099 3.0099 3.2576 3.2576 7.0692 7.0692 7.6667 7.6667 9.4174 9.4174 9.6401 9.6401 9.8080 9.8080 10.3367 10.3367 10.8982 10.8982 10.9531 10.9531 11.5241 11.5241 11.8961 11.8961 12.2923 12.2923 12.9500 12.9500 14.5670 14.5670 14.9781 14.9781 15.7316 15.7316 16.0337 16.0337 18.0190 18.0190 18.8802 18.8802 k = 0.0000 0.0000 0.8432 ( 4822 PWs) bands (ev): -77.7944 -77.7944 -77.7872 -77.7872 -44.6846 -44.6846 -44.6631 -44.6631 -31.3766 -31.3766 -31.3035 -31.3035 -31.0719 -31.0719 -31.0450 -31.0450 -13.0727 -13.0727 -0.0065 -0.0065 1.6447 1.6447 2.0305 2.0305 3.0296 3.0296 3.2598 3.2598 7.0553 7.0553 7.5872 7.5872 9.4461 9.4461 9.6890 9.6890 9.8386 9.8386 10.3845 10.3845 10.8836 10.8836 10.9566 10.9566 11.4678 11.4678 11.8444 11.8444 12.2918 12.2918 12.9561 12.9561 14.4890 14.4890 14.8673 14.8673 15.7305 15.7305 16.0296 16.0296 18.0571 18.0571 18.8769 18.8769 k = 0.0000 0.0000 0.8648 ( 4826 PWs) bands (ev): -77.7941 -77.7941 -77.7876 -77.7876 -44.6836 -44.6836 -44.6643 -44.6643 -31.3751 -31.3751 -31.3097 -31.3097 -31.0685 -31.0685 -31.0440 -31.0440 -13.0697 -13.0697 -0.0113 -0.0113 1.6483 1.6483 2.0351 2.0351 3.0472 3.0472 3.2623 3.2623 7.0440 7.0440 7.5108 7.5108 9.4735 9.4735 9.7367 9.7367 9.8666 9.8666 10.4276 10.4276 10.8505 10.8505 10.9867 10.9867 11.4123 11.4123 11.7934 11.7934 12.2976 12.2976 12.9631 12.9631 14.4039 14.4039 14.7586 14.7586 15.7304 15.7304 16.0232 16.0232 18.1049 18.1049 18.8707 18.8707 k = 0.0000 0.0000 0.8865 ( 4826 PWs) bands (ev): -77.7937 -77.7937 -77.7879 -77.7879 -44.6826 -44.6826 -44.6653 -44.6653 -31.3738 -31.3738 -31.3155 -31.3155 -31.0652 -31.0652 -31.0431 -31.0431 -13.0668 -13.0668 -0.0157 -0.0157 1.6517 1.6517 2.0398 2.0398 3.0627 3.0627 3.2651 3.2651 7.0353 7.0353 7.4380 7.4380 9.4995 9.4995 9.7830 9.7830 9.8918 9.8918 10.4647 10.4647 10.8194 10.8194 11.0238 11.0238 11.3579 11.3579 11.7438 11.7438 12.3095 12.3095 12.9707 12.9707 14.3113 14.3113 14.6535 14.6535 15.7309 15.7309 16.0151 16.0151 18.1611 18.1611 18.8626 18.8626 k = 0.0000 0.0000 0.9081 ( 4830 PWs) bands (ev): -77.7934 -77.7934 -77.7883 -77.7883 -44.6816 -44.6816 -44.6664 -44.6664 -31.3725 -31.3725 -31.3211 -31.3211 -31.0619 -31.0619 -31.0422 -31.0422 -13.0641 -13.0641 -0.0200 -0.0200 1.6548 1.6548 2.0448 2.0448 3.0762 3.0762 3.2683 3.2683 7.0289 7.0289 7.3687 7.3687 9.5242 9.5242 9.8278 9.8278 9.9145 9.9145 10.4940 10.4940 10.7942 10.7942 11.0648 11.0648 11.3054 11.3054 11.6965 11.6965 12.3275 12.3275 12.9786 12.9786 14.2113 14.2113 14.5528 14.5528 15.7319 15.7319 16.0057 16.0057 18.2243 18.2243 18.8533 18.8533 k = 0.0000 0.0000 0.9297 ( 4830 PWs) bands (ev): -77.7931 -77.7931 -77.7886 -77.7886 -44.6807 -44.6807 -44.6674 -44.6674 -31.3714 -31.3714 -31.3264 -31.3264 -31.0588 -31.0588 -31.0413 -31.0413 -13.0614 -13.0614 -0.0239 -0.0239 1.6576 1.6576 2.0499 2.0499 3.0878 3.0878 3.2716 3.2716 7.0247 7.0247 7.3032 7.3032 9.5474 9.5474 9.8706 9.8706 9.9349 9.9349 10.5136 10.5136 10.7769 10.7769 11.1078 11.1078 11.2560 11.2560 11.6524 11.6524 12.3513 12.3513 12.9868 12.9868 14.1044 14.1044 14.4565 14.4565 15.7335 15.7335 15.9957 15.9957 18.2929 18.2929 18.8434 18.8434 k = 0.0000 0.0000 0.9513 ( 4832 PWs) bands (ev): -77.7928 -77.7928 -77.7889 -77.7889 -44.6799 -44.6799 -44.6683 -44.6683 -31.3704 -31.3704 -31.3314 -31.3314 -31.0558 -31.0558 -31.0404 -31.0404 -13.0590 -13.0590 -0.0275 -0.0275 1.6603 1.6603 2.0550 2.0550 3.0975 3.0975 3.2751 3.2751 7.0225 7.0225 7.2416 7.2416 9.5693 9.5693 9.9103 9.9103 9.9543 9.9543 10.5225 10.5225 10.7681 10.7681 11.1441 11.1441 11.2173 11.2173 11.6132 11.6132 12.3806 12.3806 12.9951 12.9951 13.9920 13.9920 14.3641 14.3641 15.7354 15.7354 15.9855 15.9855 18.3651 18.3651 18.8331 18.8331 k = 0.0000 0.0000 0.9730 ( 4824 PWs) bands (ev): -77.7925 -77.7925 -77.7891 -77.7891 -44.6791 -44.6791 -44.6691 -44.6691 -31.3695 -31.3695 -31.3361 -31.3361 -31.0529 -31.0529 -31.0397 -31.0397 -13.0566 -13.0566 -0.0309 -0.0309 1.6627 1.6627 2.0601 2.0601 3.1054 3.1054 3.2786 3.2786 7.0221 7.0221 7.1842 7.1842 9.5899 9.5899 9.9430 9.9430 9.9764 9.9764 10.5220 10.5220 10.7667 10.7667 11.1353 11.1353 11.2257 11.2257 11.5818 11.5818 12.4153 12.4153 13.0032 13.0032 13.8753 13.8753 14.2748 14.2748 15.7378 15.7378 15.9758 15.9758 18.4392 18.4392 18.8230 18.8230 k = 0.0000 0.0000 0.9946 ( 4824 PWs) bands (ev): -77.7922 -77.7922 -77.7894 -77.7894 -44.6784 -44.6784 -44.6699 -44.6699 -31.3687 -31.3687 -31.3405 -31.3405 -31.0502 -31.0502 -31.0389 -31.0389 -13.0545 -13.0545 -0.0340 -0.0340 1.6650 1.6650 2.0651 2.0651 3.1118 3.1118 3.2822 3.2822 7.0229 7.0229 7.1311 7.1311 9.6093 9.6093 9.9636 9.9636 10.0063 10.0063 10.5148 10.5148 10.7696 10.7696 11.0959 11.0959 11.2620 11.2620 11.5633 11.5633 12.4550 12.4550 13.0111 13.0111 13.7556 13.7556 14.1879 14.1879 15.7406 15.7406 15.9667 15.9667 18.5135 18.5135 18.8131 18.8131 k = 0.0000 0.0000 1.0162 ( 4824 PWs) bands (ev): -77.7920 -77.7920 -77.7896 -77.7896 -44.6777 -44.6777 -44.6707 -44.6707 -31.3680 -31.3680 -31.3445 -31.3445 -31.0476 -31.0476 -31.0383 -31.0383 -13.0525 -13.0525 -0.0368 -0.0368 1.6671 1.6671 2.0699 2.0699 3.1167 3.1167 3.2857 3.2857 7.0244 7.0244 7.0830 7.0830 9.6274 9.6274 9.9759 9.9759 10.0403 10.0403 10.5042 10.5042 10.7736 10.7736 11.0541 11.0541 11.2903 11.2903 11.5661 11.5661 12.4992 12.4992 13.0185 13.0185 13.6342 13.6342 14.1028 14.1028 15.7438 15.7438 15.9585 15.9585 18.5861 18.5861 18.8037 18.8037 k = 0.0000 0.0000 1.0378 ( 4826 PWs) bands (ev): -77.7918 -77.7918 -77.7899 -77.7899 -44.6771 -44.6771 -44.6714 -44.6714 -31.3674 -31.3674 -31.3482 -31.3482 -31.0452 -31.0452 -31.0376 -31.0376 -13.0506 -13.0506 -0.0394 -0.0394 1.6691 1.6691 2.0746 2.0746 3.1205 3.1205 3.2890 3.2890 7.0214 7.0214 7.0447 7.0447 9.6444 9.6444 9.9841 9.9841 10.0739 10.0739 10.4929 10.4929 10.7763 10.7763 11.0144 11.0144 11.3002 11.3002 11.5964 11.5964 12.5474 12.5474 13.0253 13.0253 13.5120 13.5120 14.0191 14.0191 15.7471 15.7471 15.9514 15.9514 18.6552 18.6552 18.7950 18.7950 k = 0.0000 0.0000 1.0594 ( 4830 PWs) bands (ev): -77.7916 -77.7916 -77.7901 -77.7901 -44.6766 -44.6766 -44.6720 -44.6720 -31.3668 -31.3668 -31.3515 -31.3515 -31.0431 -31.0431 -31.0371 -31.0371 -13.0490 -13.0490 -0.0416 -0.0416 1.6709 1.6709 2.0789 2.0789 3.1232 3.1232 3.2921 3.2921 6.9926 6.9926 7.0373 7.0373 9.6602 9.6602 9.9898 9.9898 10.1055 10.1055 10.4828 10.4828 10.7759 10.7759 10.9783 10.9783 11.2940 11.2940 11.6514 11.6514 12.5992 12.5992 13.0311 13.0311 13.3900 13.3900 13.9370 13.9370 15.7506 15.7506 15.9454 15.9454 18.7189 18.7189 18.7875 18.7875 k = 0.0000 0.0000 1.0811 ( 4832 PWs) bands (ev): -77.7914 -77.7914 -77.7902 -77.7902 -44.6761 -44.6761 -44.6725 -44.6725 -31.3664 -31.3664 -31.3545 -31.3545 -31.0411 -31.0411 -31.0366 -31.0366 -13.0475 -13.0475 -0.0436 -0.0436 1.6725 1.6725 2.0829 2.0829 3.1251 3.1251 3.2950 3.2950 6.9583 6.9583 7.0404 7.0404 9.6747 9.6747 9.9936 9.9936 10.1343 10.1343 10.4751 10.4751 10.7709 10.7709 10.9471 10.9471 11.2792 11.2792 11.7230 11.7230 12.6535 12.6535 13.0353 13.0353 13.2695 13.2695 13.8565 13.8565 15.7539 15.7539 15.9406 15.9406 18.7680 18.7680 18.7893 18.7893 k = 0.0000 0.0000 1.1027 ( 4836 PWs) bands (ev): -77.7912 -77.7912 -77.7904 -77.7904 -44.6757 -44.6757 -44.6730 -44.6730 -31.3660 -31.3660 -31.3570 -31.3570 -31.0395 -31.0395 -31.0362 -31.0362 -13.0463 -13.0463 -0.0453 -0.0453 1.6739 1.6739 2.0865 2.0865 3.1262 3.1262 3.2976 3.2976 6.9276 6.9276 7.0445 7.0445 9.6879 9.6879 9.9959 9.9959 10.1595 10.1595 10.4709 10.4709 10.7605 10.7605 10.9220 10.9220 11.2615 11.2615 11.8053 11.8053 12.7094 12.7094 13.0346 13.0346 13.1545 13.1545 13.7780 13.7780 15.7572 15.7572 15.9368 15.9368 18.7697 18.7697 18.8318 18.8318 k = 0.0000 0.0000 1.1243 ( 4844 PWs) bands (ev): -77.7911 -77.7911 -77.7905 -77.7905 -44.6753 -44.6753 -44.6734 -44.6734 -31.3656 -31.3656 -31.3592 -31.3592 -31.0380 -31.0380 -31.0358 -31.0358 -13.0452 -13.0452 -0.0468 -0.0468 1.6751 1.6751 2.0897 2.0897 3.1269 3.1269 3.2999 3.2999 6.9014 6.9014 7.0487 7.0487 9.6995 9.6995 9.9971 9.9971 10.1807 10.1807 10.4706 10.4706 10.7450 10.7450 10.9033 10.9033 11.2441 11.2441 11.8948 11.8948 12.7642 12.7642 13.0004 13.0004 13.0752 13.0752 13.7025 13.7025 15.7601 15.7601 15.9339 15.9339 18.7648 18.7648 18.8740 18.8740 k = 0.0000 0.0000 1.1459 ( 4840 PWs) bands (ev): -77.7910 -77.7910 -77.7906 -77.7906 -44.6750 -44.6750 -44.6738 -44.6738 -31.3654 -31.3654 -31.3610 -31.3610 -31.0368 -31.0368 -31.0355 -31.0355 -13.0443 -13.0443 -0.0480 -0.0480 1.6762 1.6762 2.0924 2.0924 3.1273 3.1273 3.3018 3.3018 6.8798 6.8798 7.0525 7.0525 9.7095 9.7095 9.9975 9.9975 10.1975 10.1975 10.4744 10.4744 10.7258 10.7258 10.8904 10.8904 11.2285 11.2285 11.9895 11.9895 12.8061 12.8061 12.9130 12.9130 13.0623 13.0623 13.6313 13.6313 15.7626 15.7626 15.9319 15.9319 18.7603 18.7603 18.9084 18.9084 k = 0.0000 0.0000 1.1675 ( 4836 PWs) bands (ev): -77.7909 -77.7909 -77.7907 -77.7907 -44.6747 -44.6747 -44.6740 -44.6740 -31.3652 -31.3652 -31.3625 -31.3625 -31.0358 -31.0358 -31.0353 -31.0353 -13.0436 -13.0436 -0.0489 -0.0489 1.6770 1.6770 2.0945 2.0945 3.1274 3.1274 3.3033 3.3033 6.8630 6.8630 7.0557 7.0557 9.7176 9.7176 9.9973 9.9973 10.2099 10.2099 10.4814 10.4814 10.7054 10.7054 10.8820 10.8820 11.2158 11.2158 12.0879 12.0879 12.7586 12.7586 12.9014 12.9014 13.0612 13.0612 13.5668 13.5668 15.7645 15.7645 15.9306 15.9306 18.7567 18.7567 18.9349 18.9349 k = 0.0000 0.0000 1.1892 ( 4848 PWs) bands (ev): -77.7909 -77.7909 -77.7908 -77.7908 -44.6746 -44.6746 -44.6743 -44.6743 -31.3650 -31.3650 -31.3635 -31.3635 -31.0353 -31.0353 -31.0350 -31.0350 -13.0431 -13.0431 -0.0495 -0.0495 1.6775 1.6775 2.0960 2.0960 3.1274 3.1274 3.3044 3.3044 6.8509 6.8509 7.0582 7.0582 9.7236 9.7236 9.9970 9.9970 10.2182 10.2182 10.4898 10.4898 10.6869 10.6869 10.8767 10.8767 11.2063 11.2063 12.1881 12.1881 12.6549 12.6549 12.9408 12.9408 13.0607 13.0607 13.5129 13.5129 15.7659 15.7659 15.9297 15.9297 18.7541 18.7541 18.9534 18.9534 k = 0.0000 0.0000 1.2108 ( 4848 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6745 -44.6745 -44.6744 -44.6744 -31.3649 -31.3649 -31.3641 -31.3641 -31.0351 -31.0351 -31.0347 -31.0347 -13.0428 -13.0428 -0.0499 -0.0499 1.6779 1.6779 2.0969 2.0969 3.1274 3.1274 3.3050 3.3050 6.8437 6.8437 7.0597 7.0597 9.7273 9.7273 9.9966 9.9966 10.2229 10.2229 10.4970 10.4970 10.6735 10.6735 10.8739 10.8739 11.2005 11.2005 12.2847 12.2847 12.5531 12.5531 12.9737 12.9737 13.0593 13.0593 13.4756 13.4756 15.7668 15.7668 15.9292 15.9292 18.7525 18.7525 18.9644 18.9644 k = 0.0000 0.0000 1.2324 ( 4840 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0973 2.0973 3.1274 3.1274 3.3052 3.3052 6.8413 6.8413 7.0602 7.0602 9.7285 9.7285 9.9965 9.9965 10.2244 10.2244 10.4999 10.4999 10.6686 10.6686 10.8730 10.8730 11.1986 11.1986 12.3424 12.3424 12.4934 12.4934 12.9867 12.9867 13.0583 13.0583 13.4620 13.4620 15.7672 15.7672 15.9291 15.9291 18.7520 18.7520 18.9680 18.9680 k = 0.0000 0.0000 1.2324 ( 4840 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0973 2.0973 3.1274 3.1274 3.3052 3.3052 6.8413 6.8413 7.0602 7.0602 9.7285 9.7285 9.9965 9.9965 10.2244 10.2244 10.4999 10.4999 10.6686 10.6686 10.8730 10.8730 11.1986 11.1986 12.3424 12.3424 12.4934 12.4934 12.9867 12.9867 13.0583 13.0583 13.4620 13.4620 15.7672 15.7672 15.9291 15.9291 18.7520 18.7520 18.9680 18.9680 k =-0.0082 0.0185 1.2324 ( 4840 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3647 -31.3647 -31.3643 -31.3643 -31.0352 -31.0352 -31.0346 -31.0346 -13.0428 -13.0428 -0.0499 -0.0499 1.6780 1.6780 2.0970 2.0970 3.1281 3.1281 3.3036 3.3036 6.8427 6.8427 7.0623 7.0623 9.7278 9.7278 9.9929 9.9929 10.2245 10.2245 10.4999 10.4999 10.6696 10.6696 10.8739 10.8739 11.1986 11.1986 12.3415 12.3415 12.4909 12.4909 12.9886 12.9886 13.0610 13.0610 13.4633 13.4633 15.7672 15.7672 15.9295 15.9295 18.7544 18.7544 18.9706 18.9706 k =-0.0164 0.0370 1.2324 ( 4836 PWs) bands (ev): -77.7909 -77.7909 -77.7908 -77.7908 -44.6745 -44.6745 -44.6743 -44.6743 -31.3645 -31.3645 -31.3641 -31.3641 -31.0355 -31.0355 -31.0346 -31.0346 -13.0430 -13.0430 -0.0495 -0.0495 1.6782 1.6782 2.0962 2.0962 3.1302 3.1302 3.2986 3.2986 6.8471 6.8471 7.0688 7.0688 9.7256 9.7256 9.9824 9.9824 10.2245 10.2245 10.4997 10.4997 10.6725 10.6725 10.8767 10.8767 11.1984 11.1984 12.3387 12.3387 12.4840 12.4840 12.9933 12.9933 13.0697 13.0697 13.4672 13.4672 15.7674 15.7674 15.9308 15.9308 18.7619 18.7619 18.9783 18.9783 k =-0.0246 0.0555 1.2324 ( 4840 PWs) bands (ev): -77.7909 -77.7909 -77.7907 -77.7907 -44.6746 -44.6746 -44.6742 -44.6742 -31.3646 -31.3646 -31.3632 -31.3632 -31.0361 -31.0361 -31.0348 -31.0348 -13.0435 -13.0435 -0.0489 -0.0489 1.6784 1.6784 2.0948 2.0948 3.1338 3.1338 3.2903 3.2903 6.8543 6.8543 7.0796 7.0796 9.7218 9.7218 9.9659 9.9659 10.2242 10.2242 10.4993 10.4993 10.6775 10.6775 10.8811 10.8811 11.1977 11.1977 12.3337 12.3337 12.4740 12.4740 12.9982 12.9982 13.0857 13.0857 13.4738 13.4738 15.7678 15.7678 15.9328 15.9328 18.7742 18.7742 18.9910 18.9910 k =-0.0328 0.0740 1.2324 ( 4844 PWs) bands (ev): -77.7910 -77.7910 -77.7906 -77.7906 -44.6748 -44.6748 -44.6740 -44.6740 -31.3648 -31.3648 -31.3620 -31.3620 -31.0370 -31.0370 -31.0350 -31.0350 -13.0441 -13.0441 -0.0479 -0.0479 1.6788 1.6788 2.0929 2.0929 3.1387 3.1387 3.2790 3.2790 6.8643 6.8643 7.0947 7.0947 9.7161 9.7161 9.9442 9.9442 10.2233 10.2233 10.4986 10.4986 10.6844 10.6844 10.8867 10.8867 11.1965 11.1965 12.3264 12.3264 12.4629 12.4629 13.0018 13.0018 13.1093 13.1093 13.4835 13.4835 15.7685 15.7685 15.9357 15.9357 18.7914 18.7914 19.0081 19.0081 k =-0.0410 0.0925 1.2324 ( 4840 PWs) bands (ev): -77.7911 -77.7911 -77.7905 -77.7905 -44.6751 -44.6751 -44.6737 -44.6737 -31.3650 -31.3650 -31.3604 -31.3604 -31.0380 -31.0380 -31.0353 -31.0353 -13.0448 -13.0448 -0.0467 -0.0467 1.6792 1.6792 2.0904 2.0904 3.1448 3.1448 3.2647 3.2647 6.8770 6.8770 7.1141 7.1141 9.7081 9.7081 9.9190 9.9190 10.2210 10.2210 10.4980 10.4980 10.6933 10.6933 10.8930 10.8930 11.1944 11.1944 12.3163 12.3163 12.4527 12.4527 13.0038 13.0038 13.1394 13.1394 13.4964 13.4964 15.7695 15.7695 15.9392 15.9392 18.8135 18.8135 19.0291 19.0291 k =-0.0493 0.1110 1.2324 ( 4840 PWs) bands (ev): -77.7912 -77.7912 -77.7904 -77.7904 -44.6754 -44.6754 -44.6733 -44.6733 -31.3653 -31.3653 -31.3585 -31.3585 -31.0393 -31.0393 -31.0356 -31.0356 -13.0458 -13.0458 -0.0452 -0.0452 1.6799 1.6799 2.0873 2.0873 3.1521 3.1521 3.2478 3.2478 6.8921 6.8921 7.1377 7.1377 9.6971 9.6971 9.8916 9.8916 10.2167 10.2167 10.4980 10.4980 10.7038 10.7038 10.8994 10.8994 11.1910 11.1910 12.3036 12.3036 12.4451 12.4451 13.0046 13.0046 13.1744 13.1744 13.5130 13.5130 15.7709 15.7709 15.9436 15.9436 18.8404 18.8404 19.0530 19.0530 k =-0.0493 0.1110 1.2324 ( 4840 PWs) bands (ev): -77.7912 -77.7912 -77.7904 -77.7904 -44.6754 -44.6754 -44.6733 -44.6733 -31.3653 -31.3653 -31.3585 -31.3585 -31.0393 -31.0393 -31.0356 -31.0356 -13.0458 -13.0458 -0.0452 -0.0452 1.6799 1.6799 2.0873 2.0873 3.1521 3.1521 3.2478 3.2478 6.8921 6.8921 7.1377 7.1377 9.6971 9.6971 9.8916 9.8916 10.2167 10.2167 10.4980 10.4980 10.7038 10.7038 10.8994 10.8994 11.1910 11.1910 12.3036 12.3036 12.4451 12.4451 13.0046 13.0046 13.1744 13.1744 13.5130 13.5130 15.7709 15.7709 15.9436 15.9436 18.8404 18.8404 19.0530 19.0530 k =-0.0555 0.1251 1.2170 ( 4836 PWs) bands (ev): -77.7913 -77.7913 -77.7903 -77.7903 -44.6757 -44.6757 -44.6730 -44.6730 -31.3654 -31.3654 -31.3568 -31.3568 -31.0405 -31.0405 -31.0359 -31.0359 -13.0467 -13.0467 -0.0439 -0.0439 1.6804 1.6804 2.0845 2.0845 3.1581 3.1581 3.2332 3.2332 6.9064 6.9064 7.1582 7.1582 9.6859 9.6859 9.8705 9.8705 10.2113 10.2113 10.4972 10.4972 10.7147 10.7147 10.9041 10.9041 11.1880 11.1880 12.2694 12.2694 12.4635 12.4635 12.9996 12.9996 13.2061 13.2061 13.5336 13.5336 15.7723 15.7723 15.9476 15.9476 18.8643 18.8643 19.0695 19.0695 k =-0.0618 0.1392 1.2015 ( 4828 PWs) bands (ev): -77.7914 -77.7914 -77.7902 -77.7902 -44.6759 -44.6759 -44.6726 -44.6726 -31.3654 -31.3654 -31.3549 -31.3549 -31.0418 -31.0418 -31.0364 -31.0364 -13.0477 -13.0477 -0.0424 -0.0424 1.6807 1.6807 2.0813 2.0813 3.1643 3.1643 3.2176 3.2176 6.9243 6.9243 7.1805 7.1805 9.6716 9.6716 9.8502 9.8502 10.2039 10.2039 10.4942 10.4942 10.7290 10.7290 10.9086 10.9086 11.1852 11.1852 12.2163 12.2163 12.4998 12.4998 12.9866 12.9866 13.2446 13.2446 13.5656 13.5656 15.7741 15.7741 15.9527 15.9527 18.8916 18.8916 19.0795 19.0795 k =-0.0680 0.1533 1.1861 ( 4828 PWs) bands (ev): -77.7915 -77.7915 -77.7901 -77.7901 -44.6762 -44.6762 -44.6723 -44.6723 -31.3653 -31.3653 -31.3529 -31.3529 -31.0432 -31.0432 -31.0371 -31.0371 -13.0490 -13.0490 -0.0406 -0.0406 1.6809 1.6809 2.0779 2.0779 3.1692 3.1692 3.2022 3.2022 6.9457 6.9457 7.2046 7.2046 9.6543 9.6543 9.8312 9.8312 10.1946 10.1946 10.4897 10.4897 10.7447 10.7447 10.9124 10.9124 11.1821 11.1821 12.1636 12.1636 12.5344 12.5344 12.9698 12.9698 13.2893 13.2893 13.6062 13.6062 15.7765 15.7765 15.9592 15.9592 18.9221 18.9221 19.0795 19.0795 k =-0.0743 0.1674 1.1707 ( 4818 PWs) bands (ev): -77.7916 -77.7916 -77.7900 -77.7900 -44.6764 -44.6764 -44.6720 -44.6720 -31.3649 -31.3649 -31.3508 -31.3508 -31.0448 -31.0448 -31.0380 -31.0380 -13.0504 -13.0504 -0.0388 -0.0388 1.6809 1.6809 2.0746 2.0746 3.1674 3.1674 3.1927 3.1927 6.9705 6.9705 7.2304 7.2304 9.6345 9.6345 9.8137 9.8137 10.1835 10.1835 10.4845 10.4845 10.7594 10.7594 10.9157 10.9157 11.1788 11.1788 12.1165 12.1165 12.5621 12.5621 12.9523 12.9523 13.3395 13.3395 13.6534 13.6534 15.7799 15.7799 15.9673 15.9673 18.9548 18.9548 19.0655 19.0655 k =-0.0806 0.1815 1.1553 ( 4816 PWs) bands (ev): -77.7916 -77.7916 -77.7899 -77.7899 -44.6766 -44.6766 -44.6717 -44.6717 -31.3644 -31.3644 -31.3484 -31.3484 -31.0466 -31.0466 -31.0390 -31.0390 -13.0520 -13.0520 -0.0368 -0.0368 1.6805 1.6805 2.0714 2.0714 3.1531 3.1531 3.1950 3.1950 6.9986 6.9986 7.2578 7.2578 9.6128 9.6128 9.7976 9.7976 10.1709 10.1709 10.4791 10.4791 10.7702 10.7702 10.9185 10.9185 11.1759 11.1759 12.0769 12.0769 12.5813 12.5813 12.9364 12.9364 13.3947 13.3947 13.7052 13.7052 15.7845 15.7845 15.9775 15.9775 18.9822 18.9822 19.0400 19.0400 k =-0.0868 0.1956 1.1398 ( 4813 PWs) bands (ev): -77.7917 -77.7917 -77.7899 -77.7899 -44.6769 -44.6769 -44.6714 -44.6714 -31.3637 -31.3637 -31.3460 -31.3460 -31.0484 -31.0484 -31.0402 -31.0402 -13.0537 -13.0537 -0.0348 -0.0348 1.6797 1.6797 2.0686 2.0686 3.1336 3.1336 3.2015 3.2015 7.0297 7.0297 7.2868 7.2868 9.5897 9.5897 9.7828 9.7828 10.1568 10.1568 10.4739 10.4739 10.7748 10.7748 10.9200 10.9200 11.1749 11.1749 12.0456 12.0456 12.5917 12.5917 12.9234 12.9234 13.4540 13.4540 13.7606 13.7606 15.7907 15.7907 15.9899 15.9899 18.9529 18.9529 19.0511 19.0511 k =-0.0931 0.2097 1.1244 ( 4821 PWs) bands (ev): -77.7918 -77.7918 -77.7898 -77.7898 -44.6772 -44.6772 -44.6711 -44.6711 -31.3629 -31.3629 -31.3433 -31.3433 -31.0505 -31.0505 -31.0415 -31.0415 -13.0556 -13.0556 -0.0328 -0.0328 1.6784 1.6784 2.0664 2.0664 3.1124 3.1124 3.2091 3.2091 7.0637 7.0637 7.3174 7.3174 9.5660 9.5660 9.7690 9.7690 10.1411 10.1411 10.4692 10.4692 10.7717 10.7717 10.9183 10.9183 11.1783 11.1783 12.0229 12.0229 12.5942 12.5942 12.9136 12.9136 13.5164 13.5164 13.8188 13.8188 15.7988 15.7988 16.0050 16.0050 18.8738 18.8738 19.0925 19.0925 k =-0.0993 0.2238 1.1090 ( 4829 PWs) bands (ev): -77.7919 -77.7919 -77.7897 -77.7897 -44.6774 -44.6774 -44.6708 -44.6708 -31.3620 -31.3620 -31.3406 -31.3406 -31.0526 -31.0526 -31.0431 -31.0431 -13.0576 -13.0576 -0.0309 -0.0309 1.6765 1.6765 2.0651 2.0651 3.0903 3.0903 3.2170 3.2170 7.1005 7.1005 7.3494 7.3494 9.5422 9.5422 9.7561 9.7561 10.1240 10.1240 10.4652 10.4652 10.7609 10.7609 10.9106 10.9106 11.1886 11.1886 12.0082 12.0082 12.5899 12.5899 12.9065 12.9065 13.5808 13.5808 13.8793 13.8793 15.8091 15.8091 16.0231 16.0231 18.7727 18.7727 19.1404 19.1404 k =-0.1056 0.2379 1.0935 ( 4825 PWs) bands (ev): -77.7920 -77.7920 -77.7896 -77.7896 -44.6776 -44.6776 -44.6705 -44.6705 -31.3609 -31.3609 -31.3377 -31.3377 -31.0549 -31.0549 -31.0447 -31.0447 -13.0598 -13.0598 -0.0290 -0.0290 1.6739 1.6739 2.0648 2.0648 3.0677 3.0677 3.2249 3.2249 7.1398 7.1398 7.3830 7.3830 9.5186 9.5186 9.7438 9.7438 10.1053 10.1053 10.4620 10.4620 10.7433 10.7433 10.8949 10.8949 11.2073 11.2073 12.0008 12.0008 12.5805 12.5805 12.9016 12.9016 13.6461 13.6461 13.9420 13.9420 15.8221 15.8221 16.0443 16.0443 18.6575 18.6575 19.1905 19.1905 k =-0.1119 0.2520 1.0781 ( 4819 PWs) bands (ev): -77.7921 -77.7921 -77.7895 -77.7895 -44.6778 -44.6778 -44.6702 -44.6702 -31.3597 -31.3597 -31.3347 -31.3347 -31.0572 -31.0572 -31.0465 -31.0465 -13.0620 -13.0620 -0.0274 -0.0274 1.6706 1.6706 2.0657 2.0657 3.0448 3.0448 3.2326 3.2326 7.1817 7.1817 7.4180 7.4180 9.4957 9.4957 9.7321 9.7321 10.0850 10.0850 10.4597 10.4597 10.7200 10.7200 10.8712 10.8712 11.2338 11.2338 11.9997 11.9997 12.5673 12.5673 12.8982 12.8982 13.7111 13.7111 14.0069 14.0069 15.8379 15.8379 16.0687 16.0687 18.5339 18.5339 19.2266 19.2266 k =-0.1181 0.2661 1.0627 ( 4821 PWs) bands (ev): -77.7922 -77.7922 -77.7895 -77.7895 -44.6780 -44.6780 -44.6699 -44.6699 -31.3583 -31.3583 -31.3316 -31.3316 -31.0597 -31.0597 -31.0484 -31.0484 -13.0643 -13.0643 -0.0258 -0.0258 1.6665 1.6665 2.0679 2.0679 3.0218 3.0218 3.2400 3.2400 7.2259 7.2259 7.4543 7.4543 9.4737 9.4737 9.7207 9.7207 10.0631 10.0631 10.4581 10.4581 10.6923 10.6923 10.8411 10.8411 11.2665 11.2665 12.0034 12.0034 12.5511 12.5511 12.8955 12.8955 13.7748 13.7748 14.0742 14.0742 15.8569 15.8569 16.0964 16.0964 18.4061 18.4061 19.1917 19.1917 k =-0.1244 0.2802 1.0472 ( 4823 PWs) bands (ev): -77.7922 -77.7922 -77.7894 -77.7894 -44.6782 -44.6782 -44.6696 -44.6696 -31.3569 -31.3569 -31.3284 -31.3284 -31.0622 -31.0622 -31.0505 -31.0505 -13.0667 -13.0667 -0.0245 -0.0245 1.6615 1.6615 2.0715 2.0715 2.9989 2.9989 3.2471 3.2471 7.2722 7.2722 7.4920 7.4920 9.4526 9.4526 9.7095 9.7095 10.0393 10.0393 10.4572 10.4572 10.6610 10.6610 10.8067 10.8067 11.3038 11.3038 12.0107 12.0107 12.5326 12.5326 12.8932 12.8932 13.8363 13.8363 14.1443 14.1443 15.8791 15.8791 16.1271 16.1271 18.2774 18.2774 19.1274 19.1274 k =-0.1306 0.2943 1.0318 ( 4819 PWs) bands (ev): -77.7923 -77.7923 -77.7893 -77.7893 -44.6784 -44.6784 -44.6693 -44.6693 -31.3553 -31.3553 -31.3251 -31.3251 -31.0648 -31.0648 -31.0527 -31.0527 -13.0692 -13.0692 -0.0235 -0.0235 1.6558 1.6558 2.0765 2.0765 2.9762 2.9762 3.2538 3.2538 7.3205 7.3205 7.5310 7.5310 9.4326 9.4326 9.6985 9.6985 10.0136 10.0136 10.4563 10.4563 10.6268 10.6268 10.7703 10.7703 11.3441 11.3441 12.0205 12.0205 12.5122 12.5122 12.8913 12.8913 13.8948 13.8948 14.2174 14.2174 15.9046 15.9046 16.1606 16.1606 18.1504 18.1504 19.0547 19.0547 k =-0.1369 0.3084 1.0164 ( 4814 PWs) bands (ev): -77.7924 -77.7924 -77.7892 -77.7892 -44.6786 -44.6786 -44.6691 -44.6691 -31.3536 -31.3536 -31.3217 -31.3217 -31.0675 -31.0675 -31.0550 -31.0550 -13.0717 -13.0717 -0.0227 -0.0227 1.6492 1.6492 2.0830 2.0830 2.9539 2.9539 3.2600 3.2600 7.3707 7.3707 7.5713 7.5713 9.4137 9.4137 9.6875 9.6875 9.9859 9.9859 10.4546 10.4546 10.5907 10.5907 10.7346 10.7346 11.3860 11.3860 12.0316 12.0316 12.4901 12.4901 12.8896 12.8896 13.9501 13.9501 14.2938 14.2938 15.9331 15.9331 16.1964 16.1964 18.0272 18.0272 18.9767 18.9767 k =-0.1432 0.3225 1.0010 ( 4805 PWs) bands (ev): -77.7924 -77.7924 -77.7892 -77.7892 -44.6787 -44.6787 -44.6687 -44.6687 -31.3518 -31.3518 -31.3182 -31.3182 -31.0702 -31.0702 -31.0575 -31.0575 -13.0742 -13.0742 -0.0221 -0.0221 1.6420 1.6420 2.0907 2.0907 2.9320 2.9320 3.2657 3.2657 7.4226 7.4226 7.6127 7.6127 9.3958 9.3958 9.6764 9.6764 9.9562 9.9562 10.4499 10.4499 10.5539 10.5539 10.7020 10.7020 11.4286 11.4286 12.0432 12.0432 12.4663 12.4663 12.8884 12.8884 14.0021 14.0021 14.3736 14.3736 15.9641 15.9641 16.2340 16.2340 17.9096 17.9096 18.8951 18.8951 k =-0.1494 0.3366 0.9855 ( 4811 PWs) bands (ev): -77.7925 -77.7925 -77.7891 -77.7891 -44.6789 -44.6789 -44.6685 -44.6685 -31.3500 -31.3500 -31.3146 -31.3146 -31.0730 -31.0730 -31.0600 -31.0600 -13.0768 -13.0768 -0.0219 -0.0219 1.6341 1.6341 2.0998 2.0998 2.9108 2.9108 3.2710 3.2710 7.4762 7.4762 7.6552 7.6552 9.3789 9.3789 9.6648 9.6648 9.9244 9.9244 10.4371 10.4371 10.5205 10.5205 10.6753 10.6753 11.4707 11.4707 12.0545 12.0545 12.4408 12.4408 12.8877 12.8877 14.0509 14.0509 14.4568 14.4568 15.9968 15.9968 16.2726 16.2726 17.7993 17.7993 18.8117 18.8117 k =-0.1557 0.3507 0.9701 ( 4813 PWs) bands (ev): -77.7926 -77.7926 -77.7891 -77.7891 -44.6791 -44.6791 -44.6683 -44.6683 -31.3480 -31.3480 -31.3111 -31.3111 -31.0758 -31.0758 -31.0626 -31.0626 -13.0793 -13.0793 -0.0219 -0.0219 1.6257 1.6257 2.1099 2.1099 2.8904 2.8904 3.2757 3.2757 7.5311 7.5311 7.6989 7.6989 9.3629 9.3629 9.6527 9.6527 9.8906 9.8906 10.4090 10.4090 10.4970 10.4970 10.6566 10.6566 11.5114 11.5114 12.0650 12.0650 12.4138 12.4138 12.8878 12.8878 14.0970 14.0970 14.5434 14.5434 16.0299 16.0299 16.3115 16.3115 17.6977 17.6977 18.7281 18.7281 k =-0.1619 0.3648 0.9547 ( 4807 PWs) bands (ev): -77.7926 -77.7926 -77.7890 -77.7890 -44.6792 -44.6792 -44.6680 -44.6680 -31.3461 -31.3461 -31.3074 -31.3074 -31.0787 -31.0787 -31.0653 -31.0653 -13.0818 -13.0818 -0.0221 -0.0221 1.6170 1.6170 2.1209 2.1209 2.8709 2.8709 3.2800 3.2800 7.5874 7.5874 7.7435 7.7435 9.3478 9.3478 9.6397 9.6397 9.8551 9.8551 10.3659 10.3659 10.4832 10.4832 10.6470 10.6470 11.5497 11.5497 12.0746 12.0746 12.3851 12.3851 12.8889 12.8889 14.1409 14.1409 14.6332 14.6332 16.0618 16.0618 16.3502 16.3502 17.6060 17.6060 18.6464 18.6464 k =-0.1682 0.3789 0.9392 ( 4807 PWs) bands (ev): -77.7927 -77.7927 -77.7889 -77.7889 -44.6793 -44.6793 -44.6678 -44.6678 -31.3441 -31.3441 -31.3038 -31.3038 -31.0815 -31.0815 -31.0680 -31.0680 -13.0843 -13.0843 -0.0226 -0.0226 1.6079 1.6079 2.1327 2.1327 2.8523 2.8523 3.2837 3.2837 7.6448 7.6448 7.7890 7.7890 9.3332 9.3332 9.6254 9.6254 9.8184 9.8184 10.3145 10.3145 10.4733 10.4733 10.6463 10.6463 11.5845 11.5845 12.0832 12.0832 12.3549 12.3549 12.8911 12.8911 14.1833 14.1833 14.7260 14.7260 16.0901 16.0901 16.3884 16.3884 17.5248 17.5248 18.5691 18.5691 k =-0.1745 0.3930 0.9238 ( 4803 PWs) bands (ev): -77.7928 -77.7928 -77.7889 -77.7889 -44.6795 -44.6795 -44.6676 -44.6676 -31.3420 -31.3420 -31.3002 -31.3002 -31.0843 -31.0843 -31.0708 -31.0708 -13.0868 -13.0868 -0.0234 -0.0234 1.5987 1.5987 2.1449 2.1449 2.8347 2.8347 3.2870 3.2870 7.7032 7.7032 7.8354 7.8354 9.3192 9.3192 9.6092 9.6092 9.7812 9.7812 10.2587 10.2587 10.4651 10.4651 10.6535 10.6535 11.6147 11.6147 12.0911 12.0911 12.3234 12.3234 12.8947 12.8947 14.2248 14.2248 14.8218 14.8218 16.1120 16.1120 16.4264 16.4264 17.4539 17.4539 18.4992 18.4992 k =-0.1807 0.4071 0.9084 ( 4799 PWs) bands (ev): -77.7928 -77.7928 -77.7888 -77.7888 -44.6795 -44.6795 -44.6674 -44.6674 -31.3400 -31.3400 -31.2966 -31.2966 -31.0870 -31.0870 -31.0736 -31.0736 -13.0892 -13.0892 -0.0243 -0.0243 1.5894 1.5894 2.1575 2.1575 2.8183 2.8183 3.2898 3.2898 7.7624 7.7624 7.8826 7.8826 9.3054 9.3054 9.5902 9.5902 9.7446 9.7446 10.2008 10.2008 10.4584 10.4584 10.6671 10.6671 11.6393 11.6393 12.0982 12.0982 12.2911 12.2911 12.8996 12.8996 14.2661 14.2661 14.9204 14.9204 16.1246 16.1246 16.4653 16.4653 17.3921 17.3921 18.4399 18.4399 k =-0.1870 0.4212 0.8929 ( 4803 PWs) bands (ev): -77.7929 -77.7929 -77.7888 -77.7888 -44.6797 -44.6797 -44.6672 -44.6672 -31.3379 -31.3379 -31.2930 -31.2930 -31.0897 -31.0897 -31.0765 -31.0765 -13.0915 -13.0915 -0.0254 -0.0254 1.5802 1.5802 2.1702 2.1702 2.8031 2.8031 3.2923 3.2923 7.8223 7.8223 7.9304 7.9304 9.2917 9.2917 9.5672 9.5672 9.7102 9.7102 10.1420 10.1420 10.4535 10.4535 10.6860 10.6860 11.6575 11.6575 12.1039 12.1039 12.2591 12.2591 12.9057 12.9057 14.3078 14.3078 15.0213 15.0213 16.1257 16.1257 16.5061 16.5061 17.3369 17.3369 18.3949 18.3949 k =-0.1932 0.4354 0.8775 ( 4799 PWs) bands (ev): -77.7929 -77.7929 -77.7887 -77.7887 -44.6798 -44.6798 -44.6670 -44.6670 -31.3359 -31.3359 -31.2895 -31.2895 -31.0924 -31.0924 -31.0793 -31.0793 -13.0937 -13.0937 -0.0267 -0.0267 1.5712 1.5712 2.1828 2.1828 2.7892 2.7892 3.2944 3.2944 7.8827 7.8827 7.9788 7.9788 9.2778 9.2778 9.5389 9.5389 9.6795 9.6795 10.0830 10.0830 10.4506 10.4506 10.7092 10.7092 11.6688 11.6688 12.1060 12.1060 12.2305 12.2305 12.9130 12.9130 14.3505 14.3505 15.1245 15.1245 16.1146 16.1146 16.5493 16.5493 17.2848 17.2848 18.3677 18.3677 k =-0.1995 0.4495 0.8621 ( 4799 PWs) bands (ev): -77.7930 -77.7930 -77.7887 -77.7887 -44.6799 -44.6799 -44.6668 -44.6668 -31.3339 -31.3339 -31.2861 -31.2861 -31.0950 -31.0950 -31.0820 -31.0820 -13.0958 -13.0958 -0.0280 -0.0280 1.5625 1.5625 2.1951 2.1951 2.7765 2.7765 3.2961 3.2961 7.9432 7.9432 8.0276 8.0276 9.2634 9.2634 9.5050 9.5050 9.6534 9.6534 10.0246 10.0246 10.4499 10.4499 10.7360 10.7360 11.6734 11.6734 12.0989 12.0989 12.2109 12.2109 12.9213 12.9213 14.3947 14.3947 15.2296 15.2296 16.0923 16.0923 16.5947 16.5947 17.2324 17.2324 18.3607 18.3607 k =-0.2058 0.4636 0.8466 ( 4799 PWs) bands (ev): -77.7930 -77.7930 -77.7886 -77.7886 -44.6799 -44.6799 -44.6666 -44.6666 -31.3320 -31.3320 -31.2828 -31.2828 -31.0974 -31.0974 -31.0847 -31.0847 -13.0978 -13.0978 -0.0294 -0.0294 1.5541 1.5541 2.2069 2.2069 2.7652 2.7652 3.2976 3.2976 8.0037 8.0037 8.0768 8.0768 9.2480 9.2480 9.4664 9.4664 9.6317 9.6317 9.9676 9.9676 10.4513 10.4513 10.7658 10.7658 11.6718 11.6718 12.0774 12.0774 12.2052 12.2052 12.9303 12.9303 14.4407 14.4407 15.3360 15.3360 16.0607 16.0607 16.6412 16.6412 17.1773 17.1773 18.3747 18.3747 k =-0.2120 0.4777 0.8312 ( 4797 PWs) bands (ev): -77.7931 -77.7931 -77.7886 -77.7886 -44.6800 -44.6800 -44.6665 -44.6665 -31.3302 -31.3302 -31.2796 -31.2796 -31.0997 -31.0997 -31.0874 -31.0874 -13.0996 -13.0996 -0.0308 -0.0308 1.5462 1.5462 2.2179 2.2179 2.7551 2.7551 3.2988 3.2988 8.0635 8.0635 8.1264 8.1264 9.2311 9.2311 9.4249 9.4249 9.6134 9.6134 9.9127 9.9127 10.4545 10.4545 10.7981 10.7981 11.6651 11.6651 12.0442 12.0442 12.2108 12.2108 12.9397 12.9397 14.4887 14.4887 15.4433 15.4433 16.0219 16.0219 16.6876 16.6876 17.1187 17.1187 18.4085 18.4085 k =-0.2183 0.4918 0.8158 ( 4798 PWs) bands (ev): -77.7931 -77.7931 -77.7885 -77.7885 -44.6801 -44.6801 -44.6664 -44.6664 -31.3284 -31.3284 -31.2766 -31.2766 -31.1019 -31.1019 -31.0899 -31.0899 -13.1013 -13.1013 -0.0323 -0.0323 1.5388 1.5388 2.2282 2.2282 2.7464 2.7464 3.2997 3.2997 8.1220 8.1220 8.1764 8.1764 9.2117 9.2117 9.3823 9.3823 9.5977 9.5977 9.8605 9.8605 10.4592 10.4592 10.8324 10.8324 11.6544 11.6544 12.0047 12.0047 12.2218 12.2218 12.9493 12.9493 14.5387 14.5387 15.5506 15.5506 15.9782 15.9782 16.7323 16.7323 17.0576 17.0576 18.4582 18.4582 k =-0.2245 0.5059 0.8004 ( 4800 PWs) bands (ev): -77.7931 -77.7931 -77.7885 -77.7885 -44.6802 -44.6802 -44.6663 -44.6663 -31.3268 -31.3268 -31.2737 -31.2737 -31.1039 -31.1039 -31.0923 -31.0923 -13.1029 -13.1029 -0.0337 -0.0337 1.5320 1.5320 2.2376 2.2376 2.7388 2.7388 3.3005 3.3005 8.1781 8.1781 8.2273 8.2273 9.1888 9.1888 9.3409 9.3409 9.5838 9.5838 9.8118 9.8118 10.4651 10.4651 10.8683 10.8683 11.6409 11.6409 11.9622 11.9622 12.2348 12.2348 12.9587 12.9587 14.5906 14.5906 15.6564 15.6564 15.9320 15.9320 16.7735 16.7735 16.9958 16.9958 18.5003 18.5003 k =-0.2308 0.5200 0.7849 ( 4792 PWs) bands (ev): -77.7932 -77.7932 -77.7885 -77.7885 -44.6802 -44.6802 -44.6661 -44.6661 -31.3254 -31.3254 -31.2711 -31.2711 -31.1057 -31.1057 -31.0945 -31.0945 -13.1043 -13.1043 -0.0350 -0.0350 1.5259 1.5259 2.2459 2.2459 2.7325 2.7325 3.3011 3.3011 8.2305 8.2305 8.2793 8.2793 9.1610 9.1610 9.3028 9.3028 9.5712 9.5712 9.7675 9.7675 10.4718 10.4718 10.9050 10.9050 11.6258 11.6258 11.9187 11.9187 12.2479 12.2479 12.9678 12.9678 14.6439 14.6439 15.7559 15.7559 15.8884 15.8884 16.8086 16.8086 16.9364 16.9364 18.4434 18.4434 k =-0.2371 0.5341 0.7695 ( 4792 PWs) bands (ev): -77.7932 -77.7932 -77.7885 -77.7885 -44.6802 -44.6802 -44.6660 -44.6660 -31.3240 -31.3240 -31.2688 -31.2688 -31.1074 -31.1074 -31.0964 -31.0964 -13.1055 -13.1055 -0.0362 -0.0362 1.5204 1.5204 2.2532 2.2532 2.7273 2.7273 3.3016 3.3016 8.2781 8.2781 8.3325 8.3325 9.1278 9.1278 9.2696 9.2696 9.5597 9.5597 9.7282 9.7282 10.4788 10.4788 10.9416 10.9416 11.6103 11.6103 11.8755 11.8755 12.2602 12.2602 12.9762 12.9762 14.6977 14.6977 15.8035 15.8035 15.8929 15.8929 16.8304 16.8304 16.8872 16.8872 18.3597 18.3597 k =-0.2433 0.5482 0.7541 ( 4786 PWs) bands (ev): -77.7932 -77.7932 -77.7884 -77.7884 -44.6803 -44.6803 -44.6659 -44.6659 -31.3229 -31.3229 -31.2667 -31.2667 -31.1088 -31.1088 -31.0982 -31.0982 -13.1066 -13.1066 -0.0372 -0.0372 1.5158 1.5158 2.2593 2.2593 2.7231 2.7231 3.3020 3.3020 8.3204 8.3204 8.3856 8.3856 9.0900 9.0900 9.2417 9.2417 9.5493 9.5493 9.6949 9.6949 10.4856 10.4856 10.9773 10.9773 11.5953 11.5953 11.8342 11.8342 12.2711 12.2711 12.9838 12.9838 14.7510 14.7510 15.7672 15.7672 15.9771 15.9771 16.8101 16.8101 16.8777 16.8777 18.2813 18.2813 k =-0.2496 0.5623 0.7386 ( 4783 PWs) bands (ev): -77.7932 -77.7932 -77.7884 -77.7884 -44.6803 -44.6803 -44.6659 -44.6659 -31.3219 -31.3219 -31.2650 -31.2650 -31.1099 -31.1099 -31.0997 -31.0997 -13.1075 -13.1075 -0.0381 -0.0381 1.5119 1.5119 2.2643 2.2643 2.7198 2.7198 3.3023 3.3023 8.3570 8.3570 8.4368 8.4368 9.0498 9.0498 9.2187 9.2187 9.5398 9.5398 9.6678 9.6678 10.4920 10.4920 11.0105 11.0105 11.5816 11.5816 11.7962 11.7962 12.2803 12.2803 12.9902 12.9902 14.8017 14.8017 15.7218 15.7218 16.0654 16.0654 16.7695 16.7695 16.8869 16.8869 18.2133 18.2133 k =-0.2558 0.5764 0.7232 ( 4791 PWs) bands (ev): -77.7933 -77.7933 -77.7884 -77.7884 -44.6803 -44.6803 -44.6658 -44.6658 -31.3212 -31.3212 -31.2636 -31.2636 -31.1109 -31.1109 -31.1009 -31.1009 -13.1081 -13.1081 -0.0389 -0.0389 1.5089 1.5089 2.2682 2.2682 2.7174 2.7174 3.3025 3.3025 8.3872 8.3872 8.4839 8.4839 9.0103 9.0103 9.2002 9.2002 9.5316 9.5316 9.6473 9.6473 10.4974 10.4974 11.0398 11.0398 11.5700 11.5700 11.7633 11.7633 12.2875 12.2875 12.9954 12.9954 14.8473 14.8473 15.6793 15.6793 16.1443 16.1443 16.7337 16.7337 16.8912 16.8912 18.1582 18.1582 k =-0.2621 0.5905 0.7078 ( 4790 PWs) bands (ev): -77.7933 -77.7933 -77.7884 -77.7884 -44.6804 -44.6804 -44.6658 -44.6658 -31.3206 -31.3206 -31.2626 -31.2626 -31.1115 -31.1115 -31.1018 -31.1018 -13.1086 -13.1086 -0.0394 -0.0394 1.5067 1.5067 2.2710 2.2710 2.7157 2.7157 3.3026 3.3026 8.4099 8.4099 8.5234 8.5234 8.9758 8.9758 9.1863 9.1863 9.5251 9.5251 9.6331 9.6331 10.5015 10.5015 11.0630 11.0630 11.5612 11.5612 11.7375 11.7375 12.2927 12.2927 12.9992 12.9992 14.8845 14.8845 15.6444 15.6444 16.2079 16.2079 16.7067 16.7067 16.8901 16.8901 18.1179 18.1179 k =-0.2684 0.6046 0.6923 ( 4789 PWs) bands (ev): -77.7933 -77.7933 -77.7884 -77.7884 -44.6804 -44.6804 -44.6658 -44.6658 -31.3203 -31.3203 -31.2620 -31.2620 -31.1119 -31.1119 -31.1023 -31.1023 -13.1089 -13.1089 -0.0397 -0.0397 1.5054 1.5054 2.2726 2.2726 2.7147 2.7147 3.3027 3.3027 8.4242 8.4242 8.5507 8.5507 8.9514 8.9514 9.1775 9.1775 9.5210 9.5210 9.6248 9.6248 10.5041 10.5041 11.0782 11.0782 11.5556 11.5556 11.7210 11.7210 12.2959 12.2959 13.0015 13.0015 14.9091 14.9091 15.6210 15.6210 16.2499 16.2499 16.6899 16.6899 16.8867 16.8867 18.0934 18.0934 k =-0.2746 0.6187 0.6769 ( 4789 PWs) bands (ev): -77.7933 -77.7933 -77.7884 -77.7884 -44.6804 -44.6804 -44.6657 -44.6657 -31.3202 -31.3202 -31.2618 -31.2618 -31.1120 -31.1120 -31.1025 -31.1025 -13.1090 -13.1090 -0.0398 -0.0398 1.5049 1.5049 2.2732 2.2732 2.7144 2.7144 3.3027 3.3027 8.4291 8.4291 8.5604 8.5604 8.9425 8.9425 9.1745 9.1745 9.5195 9.5195 9.6221 9.6221 10.5049 10.5049 11.0835 11.0835 11.5537 11.5537 11.7152 11.7152 12.2970 12.2970 13.0023 13.0023 14.9178 14.9178 15.6128 15.6128 16.2648 16.2648 16.6841 16.6841 16.8849 16.8849 18.0852 18.0852 k =-0.2746 0.6187 0.6769 ( 4789 PWs) bands (ev): -77.7933 -77.7933 -77.7884 -77.7884 -44.6804 -44.6804 -44.6657 -44.6657 -31.3202 -31.3202 -31.2618 -31.2618 -31.1120 -31.1120 -31.1025 -31.1025 -13.1090 -13.1090 -0.0398 -0.0398 1.5049 1.5049 2.2732 2.2732 2.7144 2.7144 3.3027 3.3027 8.4291 8.4291 8.5604 8.5604 8.9425 8.9425 9.1745 9.1745 9.5195 9.5195 9.6221 9.6221 10.5049 10.5049 11.0835 11.0835 11.5537 11.5537 11.7152 11.7152 12.2970 12.2970 13.0023 13.0023 14.9178 14.9178 15.6128 15.6128 16.2648 16.2648 16.6841 16.6841 16.8849 16.8849 18.0852 18.0852 k =-0.2684 0.6046 0.6615 ( 4785 PWs) bands (ev): -77.7926 -77.7926 -77.7890 -77.7890 -44.6785 -44.6785 -44.6676 -44.6676 -31.3129 -31.3129 -31.2692 -31.2692 -31.1108 -31.1108 -31.1037 -31.1037 -13.1083 -13.1083 -0.0436 -0.0436 1.5072 1.5072 2.2948 2.2948 2.7168 2.7168 3.2847 3.2847 8.3824 8.3824 8.6105 8.6105 8.9846 8.9846 9.1399 9.1399 9.5518 9.5518 9.6044 9.6044 10.5804 10.5804 11.0182 11.0182 11.5443 11.5443 11.6577 11.6577 12.3040 12.3040 12.9601 12.9601 14.8714 14.8714 15.6149 15.6149 16.2874 16.2874 16.7663 16.7663 16.8384 16.8384 18.0872 18.0872 k =-0.2621 0.5906 0.6461 ( 4793 PWs) bands (ev): -77.7920 -77.7920 -77.7896 -77.7896 -44.6767 -44.6767 -44.6694 -44.6694 -31.3056 -31.3056 -31.2767 -31.2767 -31.1097 -31.1097 -31.1049 -31.1049 -13.1078 -13.1078 -0.0465 -0.0465 1.5085 1.5085 2.3142 2.3142 2.7223 2.7223 3.2637 3.2637 8.3364 8.3364 8.6643 8.6643 9.0271 9.0271 9.1035 9.1035 9.5794 9.5794 9.5848 9.5848 10.6553 10.6553 10.9517 10.9517 11.5428 11.5428 11.6085 11.6085 12.3161 12.3161 12.9200 12.9200 14.8262 14.8262 15.6195 15.6195 16.3097 16.3097 16.7542 16.7542 16.8887 16.8887 18.0918 18.0918 k =-0.2559 0.5765 0.6308 ( 4789 PWs) bands (ev): -77.7914 -77.7914 -77.7902 -77.7902 -44.6748 -44.6748 -44.6713 -44.6713 -31.2982 -31.2982 -31.2841 -31.2841 -31.1085 -31.1085 -31.1062 -31.1062 -13.1075 -13.1075 -0.0485 -0.0485 1.5090 1.5090 2.3306 2.3306 2.7312 2.7312 3.2397 3.2397 8.2932 8.2932 8.7196 8.7196 9.0598 9.0598 9.0762 9.0762 9.5632 9.5632 9.6014 9.6014 10.7292 10.7292 10.8843 10.8843 11.5492 11.5492 11.5690 11.5690 12.3327 12.3327 12.8823 12.8823 14.7829 14.7829 15.6268 15.6268 16.3311 16.3311 16.6996 16.6996 16.9841 16.9841 18.0993 18.0993 k =-0.2497 0.5625 0.6154 ( 4789 PWs) bands (ev): -77.7909 -77.7909 -77.7908 -77.7908 -44.6732 -44.6732 -44.6730 -44.6730 -31.2916 -31.2916 -31.2908 -31.2908 -31.1074 -31.1074 -31.1072 -31.1072 -13.1075 -13.1075 -0.0494 -0.0494 1.5087 1.5087 2.3434 2.3434 2.7439 2.7439 3.2131 3.2131 8.2534 8.2534 8.7752 8.7752 9.0261 9.0261 9.1149 9.1149 9.5402 9.5402 9.6166 9.6166 10.7993 10.7993 10.8181 10.8181 11.5389 11.5389 11.5654 11.5654 12.3531 12.3531 12.8472 12.8472 14.7418 14.7418 15.6366 15.6366 16.3505 16.3505 16.6437 16.6437 17.0838 17.0838 18.1099 18.1099 k =-0.2434 0.5484 0.6000 ( 4791 PWs) bands (ev): -77.7915 -77.7915 -77.7902 -77.7902 -44.6750 -44.6750 -44.6711 -44.6711 -31.2990 -31.2990 -31.2833 -31.2833 -31.1086 -31.1086 -31.1060 -31.1060 -13.1076 -13.1076 -0.0492 -0.0492 1.5076 1.5076 2.3524 2.3524 2.7604 2.7604 3.1837 3.1837 8.2172 8.2172 8.8300 8.8300 8.9885 8.9885 9.1569 9.1569 9.5165 9.5165 9.6251 9.6251 10.7457 10.7457 10.8729 10.8729 11.5212 11.5212 11.5893 11.5893 12.3767 12.3767 12.8152 12.8152 14.7032 14.7032 15.6492 15.6492 16.3662 16.3662 16.5905 16.5905 17.1852 17.1852 18.1237 18.1237 k =-0.2372 0.5343 0.5846 ( 4787 PWs) bands (ev): -77.7921 -77.7921 -77.7895 -77.7895 -44.6769 -44.6769 -44.6692 -44.6692 -31.3064 -31.3064 -31.2759 -31.2759 -31.1098 -31.1098 -31.1048 -31.1048 -13.1080 -13.1080 -0.0481 -0.0481 1.5060 1.5060 2.3577 2.3577 2.7805 2.7805 3.1519 3.1519 8.1847 8.1847 8.8816 8.8816 8.9527 8.9527 9.1971 9.1971 9.4930 9.4930 9.6274 9.6274 10.6756 10.6756 10.9413 10.9413 11.5149 11.5149 11.6220 11.6220 12.4029 12.4029 12.7864 12.7864 14.6676 14.6676 15.6645 15.6645 16.3743 16.3743 16.5442 16.5442 17.2871 17.2871 18.1411 18.1411 k =-0.2309 0.5203 0.5692 ( 4787 PWs) bands (ev): -77.7927 -77.7927 -77.7889 -77.7889 -44.6787 -44.6787 -44.6674 -44.6674 -31.3137 -31.3137 -31.2684 -31.2684 -31.1110 -31.1110 -31.1036 -31.1036 -13.1085 -13.1085 -0.0458 -0.0458 1.5038 1.5038 2.3594 2.3594 2.8036 2.8036 3.1179 3.1179 8.1560 8.1560 8.9035 8.9035 8.9441 8.9441 9.2337 9.2337 9.4715 9.4715 9.6254 9.6254 10.6047 10.6047 11.0073 11.0073 11.5202 11.5202 11.6632 11.6632 12.4311 12.4311 12.7614 12.7614 14.6351 14.6351 15.6826 15.6826 16.3674 16.3674 16.5123 16.5123 17.3890 17.3890 18.1621 18.1621 k =-0.2247 0.5062 0.5538 ( 4787 PWs) bands (ev): -77.7933 -77.7933 -77.7883 -77.7883 -44.6806 -44.6806 -44.6655 -44.6655 -31.3210 -31.3210 -31.2610 -31.2610 -31.1122 -31.1122 -31.1024 -31.1024 -13.1093 -13.1093 -0.0425 -0.0425 1.5012 1.5012 2.3580 2.3580 2.8292 2.8292 3.0818 3.0818 8.1309 8.1309 8.8723 8.8723 8.9846 8.9846 9.2635 9.2635 9.4542 9.4542 9.6221 9.6221 10.5332 10.5332 11.0710 11.0710 11.5365 11.5365 11.7122 11.7122 12.4605 12.4605 12.7405 12.7405 14.6063 14.6063 15.7035 15.7035 16.3403 16.3403 16.5001 16.5001 17.4902 17.4902 18.1870 18.1870 k =-0.2185 0.4921 0.5385 ( 4795 PWs) bands (ev): -77.7939 -77.7939 -77.7877 -77.7877 -44.6824 -44.6824 -44.6637 -44.6637 -31.3282 -31.3282 -31.2536 -31.2536 -31.1133 -31.1133 -31.1012 -31.1012 -13.1103 -13.1103 -0.0383 -0.0383 1.4982 1.4982 2.3540 2.3540 2.8566 2.8566 3.0439 3.0439 8.1094 8.1094 8.8375 8.8375 9.0224 9.0224 9.2821 9.2821 9.4444 9.4444 9.6218 9.6218 10.4615 10.4615 11.1323 11.1323 11.5625 11.5625 11.7685 11.7685 12.4907 12.4907 12.7241 12.7241 14.5813 14.5813 15.7271 15.7271 16.2989 16.2989 16.5020 16.5020 17.5898 17.5898 18.2157 18.2157 k =-0.2122 0.4781 0.5231 ( 4793 PWs) bands (ev): -77.7945 -77.7945 -77.7871 -77.7871 -44.6842 -44.6842 -44.6619 -44.6619 -31.3354 -31.3354 -31.2462 -31.2462 -31.1145 -31.1145 -31.1000 -31.1000 -13.1115 -13.1115 -0.0330 -0.0330 1.4948 1.4948 2.3477 2.3477 2.8851 2.8851 3.0046 3.0046 8.0914 8.0914 8.8031 8.8031 9.0509 9.0509 9.2853 9.2853 9.4451 9.4451 9.6295 9.6295 10.3900 10.3900 11.1916 11.1916 11.5972 11.5972 11.8311 11.8311 12.5209 12.5209 12.7129 12.7129 14.5606 14.5606 15.7534 15.7534 16.2517 16.2517 16.5096 16.5096 17.6871 17.6871 18.2485 18.2485 k =-0.2060 0.4640 0.5077 ( 4789 PWs) bands (ev): -77.7951 -77.7951 -77.7865 -77.7865 -44.6860 -44.6860 -44.6601 -44.6601 -31.3424 -31.3424 -31.2388 -31.2388 -31.1156 -31.1156 -31.0988 -31.0988 -13.1129 -13.1129 -0.0268 -0.0268 1.4912 1.4912 2.3397 2.3397 2.9142 2.9142 2.9641 2.9641 8.0767 8.0767 8.7698 8.7698 9.0677 9.0677 9.2722 9.2722 9.4571 9.4571 9.6480 9.6480 10.3189 10.3189 11.2490 11.2490 11.6392 11.6392 11.8990 11.8990 12.5506 12.5506 12.7073 12.7073 14.5443 14.5443 15.7821 15.7821 16.2030 16.2030 16.5189 16.5189 17.7811 17.7811 18.2853 18.2853 k =-0.1997 0.4500 0.4923 ( 4793 PWs) bands (ev): -77.7957 -77.7957 -77.7859 -77.7859 -44.6877 -44.6877 -44.6583 -44.6583 -31.3493 -31.3493 -31.2316 -31.2316 -31.1167 -31.1167 -31.0976 -31.0976 -13.1145 -13.1145 -0.0197 -0.0197 1.4874 1.4874 2.3301 2.3301 2.9227 2.9227 2.9435 2.9435 8.0652 8.0652 8.7375 8.7375 9.0725 9.0725 9.2452 9.2452 9.4793 9.4793 9.6769 9.6769 10.2489 10.2489 11.3047 11.3047 11.6871 11.6871 11.9711 11.9711 12.5792 12.5792 12.7080 12.7080 14.5328 14.5328 15.8129 15.8129 16.1552 16.1552 16.5283 16.5283 17.8703 17.8703 18.3259 18.3259 k =-0.1935 0.4359 0.4769 ( 4801 PWs) bands (ev): -77.7963 -77.7963 -77.7853 -77.7853 -44.6895 -44.6895 -44.6566 -44.6566 -31.3562 -31.3562 -31.2244 -31.2244 -31.1178 -31.1178 -31.0964 -31.0964 -13.1162 -13.1162 -0.0119 -0.0119 1.4834 1.4834 2.3192 2.3192 2.8809 2.8809 2.9725 2.9725 8.0566 8.0566 8.7066 8.7066 9.0674 9.0674 9.2076 9.2076 9.5099 9.5099 9.7133 9.7133 10.1807 10.1807 11.3587 11.3587 11.7400 11.7400 12.0463 12.0463 12.6066 12.6066 12.7152 12.7152 14.5262 14.5262 15.8447 15.8447 16.1101 16.1101 16.5371 16.5371 17.9529 17.9529 18.3702 18.3702 k =-0.1872 0.4218 0.4615 ( 4809 PWs) bands (ev): -77.7969 -77.7969 -77.7848 -77.7848 -44.6913 -44.6913 -44.6548 -44.6548 -31.3629 -31.3629 -31.2173 -31.2173 -31.1189 -31.1189 -31.0952 -31.0952 -13.1181 -13.1181 -0.0033 -0.0033 1.4792 1.4792 2.3072 2.3072 2.8390 2.8390 3.0009 3.0009 8.0507 8.0507 8.6770 8.6770 9.0552 9.0552 9.1625 9.1625 9.5460 9.5460 9.7537 9.7537 10.1155 10.1155 11.4108 11.4108 11.7968 11.7968 12.1234 12.1234 12.6329 12.6329 12.7290 12.7290 14.5249 14.5249 15.8753 15.8753 16.0705 16.0705 16.5451 16.5451 18.0266 18.0266 18.4178 18.4178 k =-0.1810 0.4078 0.4461 ( 4813 PWs) bands (ev): -77.7975 -77.7975 -77.7842 -77.7842 -44.6930 -44.6930 -44.6531 -44.6531 -31.3695 -31.3695 -31.2102 -31.2102 -31.1200 -31.1200 -31.0941 -31.0941 -13.1202 -13.1202 0.0059 0.0059 1.4749 1.4749 2.2942 2.2942 2.7975 2.7975 3.0284 3.0284 8.0474 8.0474 8.6488 8.6488 9.0385 9.0385 9.1124 9.1124 9.5847 9.5847 9.7942 9.7942 10.0560 10.0560 11.4609 11.4609 11.8569 11.8569 12.2011 12.2011 12.6590 12.6590 12.7491 12.7491 14.5288 14.5288 15.8979 15.8979 16.0434 16.0434 16.5526 16.5526 18.0878 18.0878 18.4683 18.4683 k =-0.1748 0.3937 0.4308 ( 4821 PWs) bands (ev): -77.7981 -77.7981 -77.7837 -77.7837 -44.6947 -44.6947 -44.6514 -44.6514 -31.3760 -31.3760 -31.2033 -31.2033 -31.1210 -31.1210 -31.0929 -31.0929 -13.1223 -13.1223 0.0157 0.0157 1.4705 1.4705 2.2802 2.2802 2.7567 2.7567 3.0548 3.0548 8.0462 8.0462 8.6221 8.6221 9.0186 9.0186 9.0599 9.0599 9.6226 9.6226 9.8287 9.8287 10.0087 10.0087 11.5085 11.5085 11.9198 11.9198 12.2778 12.2778 12.6859 12.6859 12.7749 12.7749 14.5379 14.5379 15.8994 15.8994 16.0421 16.0421 16.5597 16.5597 18.1314 18.1314 18.5201 18.5201 k =-0.1685 0.3797 0.4154 ( 4821 PWs) bands (ev): -77.7986 -77.7986 -77.7831 -77.7831 -44.6963 -44.6963 -44.6498 -44.6498 -31.3823 -31.3823 -31.1965 -31.1965 -31.1220 -31.1220 -31.0918 -31.0918 -13.1247 -13.1247 0.0259 0.0259 1.4660 1.4660 2.2652 2.2652 2.7170 2.7170 3.0800 3.0800 8.0470 8.0470 8.5968 8.5968 8.9891 8.9891 9.0142 9.0142 9.6542 9.6542 9.8454 9.8454 9.9887 9.9887 11.5534 11.5534 11.9851 11.9851 12.3516 12.3516 12.7148 12.7148 12.8066 12.8066 14.5522 14.5522 15.8781 15.8781 16.0683 16.0683 16.5668 16.5668 18.1498 18.1498 18.5612 18.5612 k =-0.1623 0.3656 0.4000 ( 4825 PWs) bands (ev): -77.7992 -77.7992 -77.7826 -77.7826 -44.6979 -44.6979 -44.6482 -44.6482 -31.3885 -31.3885 -31.1899 -31.1899 -31.1230 -31.1230 -31.0907 -31.0907 -13.1271 -13.1271 0.0364 0.0364 1.4614 1.4614 2.2491 2.2491 2.6791 2.6791 3.1038 3.1038 8.0494 8.0494 8.5729 8.5729 8.9384 8.9384 8.9889 8.9889 9.6688 9.6688 9.8448 9.8448 10.0047 10.0047 11.5953 11.5953 12.0526 12.0526 12.4200 12.4200 12.7468 12.7468 12.8444 12.8444 14.5714 14.5714 15.8468 15.8468 16.1094 16.1094 16.5740 16.5740 18.1341 18.1341 18.5190 18.5190 k =-0.1560 0.3515 0.3846 ( 4813 PWs) bands (ev): -77.7997 -77.7997 -77.7820 -77.7820 -44.6993 -44.6993 -44.6466 -44.6466 -31.3944 -31.3944 -31.1834 -31.1834 -31.1239 -31.1239 -31.0896 -31.0896 -13.1296 -13.1296 0.0472 0.0472 1.4566 1.4566 2.2320 2.2320 2.6431 2.6431 3.1261 3.1261 8.0531 8.0531 8.5505 8.5505 8.8821 8.8821 8.9702 8.9702 9.6546 9.6546 9.8542 9.8542 10.0402 10.0402 11.6343 11.6343 12.1220 12.1220 12.4798 12.4798 12.7838 12.7838 12.8889 12.8889 14.5951 14.5951 15.8130 15.8130 16.1578 16.1578 16.5819 16.5819 18.0805 18.0805 18.4575 18.4575 k =-0.1498 0.3375 0.3692 ( 4809 PWs) bands (ev): -77.8002 -77.8002 -77.7815 -77.7815 -44.7009 -44.7009 -44.6450 -44.6450 -31.4003 -31.4003 -31.1770 -31.1770 -31.1249 -31.1249 -31.0886 -31.0886 -13.1322 -13.1322 0.0582 0.0582 1.4517 1.4517 2.2137 2.2137 2.6097 2.6097 3.1468 3.1468 8.0578 8.0578 8.5293 8.5293 8.8256 8.8256 8.9536 8.9536 9.6162 9.6162 9.8814 9.8814 10.0820 10.0820 11.6703 11.6703 12.1931 12.1931 12.5281 12.5281 12.8274 12.8274 12.9401 12.9401 14.6228 14.6228 15.7794 15.7794 16.2107 16.2107 16.5907 16.5907 17.9964 17.9964 18.4038 18.4038 k =-0.1436 0.3234 0.3538 ( 4799 PWs) bands (ev): -77.8006 -77.8006 -77.7810 -77.7810 -44.7023 -44.7023 -44.6434 -44.6434 -31.4059 -31.4059 -31.1708 -31.1708 -31.1257 -31.1257 -31.0875 -31.0875 -13.1348 -13.1348 0.0692 0.0692 1.4467 1.4467 2.1944 2.1944 2.5791 2.5791 3.1660 3.1660 8.0630 8.0630 8.5094 8.5094 8.7704 8.7704 8.9389 8.9389 9.5665 9.5665 9.9179 9.9179 10.1252 10.1252 11.7037 11.7037 12.2658 12.2658 12.5634 12.5634 12.8786 12.8786 12.9979 12.9979 14.6540 14.6540 15.7472 15.7472 16.2670 16.2670 16.6007 16.6007 17.8951 17.8951 18.3503 18.3503 k =-0.1373 0.3093 0.3385 ( 4799 PWs) bands (ev): -77.8011 -77.8011 -77.7806 -77.7806 -44.7037 -44.7037 -44.6420 -44.6420 -31.4114 -31.4114 -31.1647 -31.1647 -31.1266 -31.1266 -31.0865 -31.0865 -13.1376 -13.1376 0.0801 0.0801 1.4414 1.4414 2.1739 2.1739 2.5515 2.5515 3.1835 3.1835 8.0681 8.0681 8.4904 8.4904 8.7175 8.7175 8.9260 8.9260 9.5125 9.5125 9.9580 9.9580 10.1681 10.1681 11.7345 11.7345 12.3394 12.3394 12.5866 12.5866 12.9360 12.9360 13.0614 13.0614 14.6880 14.6880 15.7167 15.7167 16.3260 16.3260 16.6122 16.6122 17.7863 17.7863 18.2920 18.2920 k =-0.1311 0.2953 0.3231 ( 4799 PWs) bands (ev): -77.8016 -77.8016 -77.7801 -77.7801 -44.7050 -44.7050 -44.6406 -44.6406 -31.4166 -31.4166 -31.1589 -31.1589 -31.1274 -31.1274 -31.0855 -31.0855 -13.1403 -13.1403 0.0909 0.0909 1.4358 1.4358 2.1525 2.1525 2.5272 2.5272 3.1995 3.1995 8.0726 8.0726 8.4719 8.4719 8.6682 8.6682 8.9149 8.9149 9.4573 9.4573 9.9991 9.9991 10.2098 10.2098 11.7633 11.7633 12.4139 12.4139 12.6000 12.6000 12.9976 12.9976 13.1297 13.1297 14.7240 14.7240 15.6883 15.6883 16.3871 16.3871 16.6252 16.6252 17.6761 17.6761 18.2285 18.2285 k =-0.1248 0.2812 0.3077 ( 4797 PWs) bands (ev): -77.8020 -77.8020 -77.7797 -77.7797 -44.7064 -44.7064 -44.6392 -44.6392 -31.4217 -31.4217 -31.1533 -31.1533 -31.1282 -31.1282 -31.0846 -31.0846 -13.1430 -13.1430 0.1015 0.1015 1.4299 1.4299 2.1303 2.1303 2.5062 2.5062 3.2140 3.2140 8.0759 8.0759 8.4536 8.4536 8.6237 8.6237 8.9055 8.9055 9.4023 9.4023 10.0403 10.0403 10.2498 10.2498 11.7903 11.7903 12.4888 12.4888 12.6059 12.6059 13.0613 13.0613 13.2016 13.2016 14.7612 14.7612 15.6622 15.6622 16.4500 16.4500 16.6401 16.6401 17.5679 17.5679 18.1611 18.1611 k =-0.1186 0.2672 0.2923 ( 4789 PWs) bands (ev): -77.8025 -77.8025 -77.7792 -77.7792 -44.7076 -44.7076 -44.6379 -44.6379 -31.4266 -31.4266 -31.1478 -31.1478 -31.1289 -31.1289 -31.0837 -31.0837 -13.1458 -13.1458 0.1117 0.1117 1.4236 1.4236 2.1078 2.1078 2.4883 2.4883 3.2269 3.2269 8.0770 8.0770 8.4350 8.4350 8.5853 8.5853 8.8977 8.8977 9.3483 9.3483 10.0808 10.0808 10.2880 10.2880 11.8158 11.8158 12.5636 12.5636 12.6063 12.6063 13.1259 13.1259 13.2759 13.2759 14.7988 14.7988 15.6383 15.6383 16.5140 16.5140 16.6567 16.6567 17.4640 17.4640 18.0915 18.0915 k =-0.1123 0.2531 0.2769 ( 4793 PWs) bands (ev): -77.8029 -77.8029 -77.7788 -77.7788 -44.7089 -44.7089 -44.6366 -44.6366 -31.4312 -31.4312 -31.1426 -31.1426 -31.1296 -31.1296 -31.0828 -31.0828 -13.1485 -13.1485 0.1216 0.1216 1.4170 1.4170 2.0851 2.0851 2.4735 2.4735 3.2384 3.2384 8.0750 8.0750 8.4159 8.4159 8.5543 8.5543 8.8912 8.8912 9.2958 9.2958 10.1203 10.1203 10.3240 10.3240 11.8400 11.8400 12.6017 12.6017 12.6388 12.6388 13.1905 13.1905 13.3512 13.3512 14.8359 14.8359 15.6168 15.6168 16.5777 16.5777 16.6758 16.6758 17.3663 17.3663 18.0215 18.0215 k =-0.1061 0.2390 0.2615 ( 4789 PWs) bands (ev): -77.8033 -77.8033 -77.7784 -77.7784 -44.7100 -44.7100 -44.6354 -44.6354 -31.4357 -31.4357 -31.1377 -31.1377 -31.1302 -31.1302 -31.0819 -31.0819 -13.1512 -13.1512 0.1311 0.1311 1.4098 1.4098 2.0627 2.0627 2.4615 2.4615 3.2486 3.2486 8.0689 8.0689 8.3969 8.3969 8.5310 8.5310 8.8859 8.8859 9.2453 9.2453 10.1585 10.1585 10.3579 10.3579 11.8632 11.8632 12.5945 12.5945 12.7124 12.7124 13.2546 13.2546 13.4266 13.4266 14.8716 14.8716 15.5975 15.5975 16.6376 16.6376 16.6999 16.6999 17.2759 17.2759 17.9524 17.9524 k =-0.0999 0.2250 0.2461 ( 4801 PWs) bands (ev): -77.8036 -77.8036 -77.7781 -77.7781 -44.7112 -44.7112 -44.6342 -44.6342 -31.4399 -31.4399 -31.1335 -31.1335 -31.1304 -31.1304 -31.0812 -31.0812 -13.1538 -13.1538 0.1401 0.1401 1.4022 1.4022 2.0409 2.0409 2.4520 2.4520 3.2575 3.2575 8.0579 8.0579 8.3795 8.3795 8.5148 8.5148 8.8812 8.8812 9.1970 9.1970 10.1952 10.1952 10.3896 10.3896 11.8855 11.8855 12.5845 12.5845 12.7849 12.7849 13.3178 13.3178 13.5011 13.5011 14.9052 14.9052 15.5805 15.5805 16.6819 16.6819 16.7393 16.7393 17.1943 17.1943 17.8855 17.8855 k =-0.0936 0.2109 0.2308 ( 4805 PWs) bands (ev): -77.8040 -77.8040 -77.7777 -77.7777 -44.7122 -44.7122 -44.6332 -44.6332 -31.4439 -31.4439 -31.1322 -31.1322 -31.1278 -31.1278 -31.0804 -31.0804 -13.1564 -13.1564 0.1486 0.1486 1.3941 1.3941 2.0201 2.0201 2.4448 2.4448 3.2652 3.2652 8.0418 8.0418 8.3653 8.3653 8.5043 8.5043 8.8766 8.8766 9.1516 9.1516 10.2303 10.2303 10.4192 10.4192 11.9069 11.9069 12.5724 12.5724 12.8559 12.8559 13.3798 13.3798 13.5741 13.5741 14.9359 14.9359 15.5658 15.5658 16.7069 16.7069 16.7957 16.7957 17.1227 17.1227 17.8217 17.8217 k =-0.0874 0.1969 0.2154 ( 4799 PWs) bands (ev): -77.8043 -77.8043 -77.7774 -77.7774 -44.7132 -44.7132 -44.6321 -44.6321 -31.4476 -31.4476 -31.1326 -31.1326 -31.1237 -31.1237 -31.0797 -31.0797 -13.1588 -13.1588 0.1565 0.1565 1.3856 1.3856 2.0004 2.0004 2.4396 2.4396 3.2718 3.2718 8.0210 8.0210 8.3552 8.3552 8.4984 8.4984 8.8715 8.8715 9.1097 9.1097 10.2636 10.2636 10.4466 10.4466 11.9275 11.9275 12.5586 12.5586 12.9249 12.9249 13.4404 13.4404 13.6449 13.6449 14.9630 14.9630 15.5532 15.5532 16.7234 16.7234 16.8544 16.8544 17.0642 17.0642 17.7621 17.7621 k =-0.0811 0.1828 0.2000 ( 4791 PWs) bands (ev): -77.8046 -77.8046 -77.7771 -77.7771 -44.7141 -44.7141 -44.6311 -44.6311 -31.4511 -31.4511 -31.1330 -31.1330 -31.1197 -31.1197 -31.0790 -31.0790 -13.1612 -13.1612 0.1639 0.1639 1.3768 1.3768 1.9821 1.9821 2.4361 2.4361 3.2775 3.2775 7.9965 7.9965 8.3492 8.3492 8.4959 8.4959 8.8645 8.8645 9.0724 9.0724 10.2951 10.2951 10.4719 10.4719 11.9473 11.9473 12.5435 12.5435 12.9915 12.9915 13.4994 13.4994 13.7131 13.7131 14.9862 14.9862 15.5426 15.5426 16.7350 16.7350 16.9002 16.9002 17.0288 17.0288 17.7072 17.7072 k =-0.0749 0.1687 0.1846 ( 4799 PWs) bands (ev): -77.8049 -77.8049 -77.7768 -77.7768 -44.7150 -44.7150 -44.6303 -44.6303 -31.4544 -31.4544 -31.1335 -31.1335 -31.1160 -31.1160 -31.0784 -31.0784 -13.1635 -13.1635 0.1707 0.1707 1.3677 1.3677 1.9653 1.9653 2.4341 2.4341 3.2822 3.2822 7.9694 7.9694 8.3468 8.3468 8.4961 8.4961 8.8545 8.8545 9.0408 9.0408 10.3246 10.3246 10.4951 10.4951 11.9664 11.9664 12.5273 12.5273 13.0551 13.0551 13.5564 13.5564 13.7781 13.7781 15.0050 15.0050 15.5340 15.5340 16.7418 16.7418 16.9061 16.9061 17.0417 17.0417 17.6580 17.6580 k =-0.0687 0.1547 0.1692 ( 4795 PWs) bands (ev): -77.8052 -77.8052 -77.7765 -77.7765 -44.7158 -44.7158 -44.6294 -44.6294 -31.4574 -31.4574 -31.1340 -31.1340 -31.1126 -31.1126 -31.0778 -31.0778 -13.1656 -13.1656 0.1769 0.1769 1.3585 1.3585 1.9501 1.9501 2.4332 2.4332 3.2862 3.2862 7.9412 7.9412 8.3473 8.3473 8.4984 8.4984 8.8401 8.8401 9.0160 9.0160 10.3521 10.3521 10.5164 10.5164 11.9846 11.9846 12.5105 12.5105 13.1155 13.1155 13.6114 13.6114 13.8396 13.8396 15.0194 15.0194 15.5273 15.5273 16.7436 16.7436 16.8831 16.8831 17.0902 17.0902 17.6149 17.6149 k =-0.0624 0.1406 0.1538 ( 4793 PWs) bands (ev): -77.8054 -77.8054 -77.7763 -77.7763 -44.7165 -44.7165 -44.6286 -44.6286 -31.4602 -31.4602 -31.1344 -31.1344 -31.1094 -31.1094 -31.0772 -31.0772 -13.1676 -13.1676 0.1825 0.1825 1.3493 1.3493 1.9365 1.9365 2.4334 2.4334 3.2895 3.2895 7.9130 7.9130 8.3501 8.3501 8.5022 8.5022 8.8207 8.8207 8.9986 8.9986 10.3774 10.3774 10.5357 10.5357 12.0021 12.0021 12.4931 12.4931 13.1721 13.1721 13.6638 13.6638 13.8972 13.8972 15.0294 15.0294 15.5224 15.5224 16.7401 16.7401 16.8571 16.8571 17.1468 17.1468 17.5788 17.5788 k =-0.0562 0.1266 0.1385 ( 4777 PWs) bands (ev): -77.8056 -77.8056 -77.7761 -77.7761 -44.7171 -44.7171 -44.6278 -44.6278 -31.4627 -31.4627 -31.1348 -31.1348 -31.1064 -31.1064 -31.0767 -31.0767 -13.1694 -13.1694 0.1875 0.1875 1.3403 1.3403 1.9244 1.9244 2.4343 2.4343 3.2922 3.2922 7.8855 7.8855 8.3547 8.3547 8.5073 8.5073 8.7972 8.7972 8.9877 8.9877 10.4006 10.4006 10.5531 10.5531 12.0187 12.0187 12.4755 12.4755 13.2248 13.2248 13.7136 13.7136 13.9509 13.9509 15.0354 15.0354 15.5193 15.5193 16.7317 16.7317 16.8342 16.8342 17.2030 17.2030 17.5501 17.5501 k =-0.0499 0.1125 0.1231 ( 4777 PWs) bands (ev): -77.8058 -77.8058 -77.7759 -77.7759 -44.7177 -44.7177 -44.6272 -44.6272 -31.4650 -31.4650 -31.1351 -31.1351 -31.1038 -31.1038 -31.0763 -31.0763 -13.1711 -13.1711 0.1920 0.1920 1.3317 1.3317 1.9139 1.9139 2.4357 2.4357 3.2944 3.2944 7.8596 7.8596 8.3607 8.3607 8.5131 8.5131 8.7709 8.7709 8.9816 8.9816 10.4214 10.4214 10.5686 10.5686 12.0345 12.0345 12.4580 12.4580 13.2729 13.2729 13.7601 13.7601 14.0000 14.0000 15.0380 15.0380 15.5176 15.5176 16.7186 16.7186 16.8152 16.8152 17.2560 17.2560 17.5293 17.5293 k =-0.0437 0.0984 0.1077 ( 4767 PWs) bands (ev): -77.8060 -77.8060 -77.7757 -77.7757 -44.7182 -44.7182 -44.6266 -44.6266 -31.4670 -31.4670 -31.1354 -31.1354 -31.1015 -31.1015 -31.0759 -31.0759 -13.1726 -13.1726 0.1959 0.1959 1.3236 1.3236 1.9048 1.9048 2.4375 2.4375 3.2961 3.2961 7.8358 7.8358 8.3678 8.3678 8.5195 8.5195 8.7435 8.7435 8.9788 8.9788 10.4400 10.4400 10.5822 10.5822 12.0495 12.0495 12.4408 12.4408 13.3161 13.3161 13.8029 13.8029 14.0445 14.0445 15.0377 15.0377 15.5173 15.5173 16.7016 16.7016 16.7999 16.7999 17.3038 17.3038 17.5167 17.5167 k =-0.0374 0.0844 0.0923 ( 4747 PWs) bands (ev): -77.8062 -77.8062 -77.7755 -77.7755 -44.7186 -44.7186 -44.6261 -44.6261 -31.4687 -31.4687 -31.1356 -31.1356 -31.0995 -31.0995 -31.0755 -31.0755 -13.1739 -13.1739 0.1992 0.1992 1.3162 1.3162 1.8971 1.8971 2.4395 2.4395 3.2975 3.2975 7.8144 7.8144 8.3757 8.3757 8.5264 8.5264 8.7161 8.7161 8.9779 8.9779 10.4562 10.4562 10.5941 10.5941 12.0633 12.0633 12.4243 12.4243 13.3542 13.3542 13.8416 13.8416 14.0841 14.0841 15.0354 15.0354 15.5181 15.5181 16.6819 16.6819 16.7879 16.7879 17.3445 17.3445 17.5129 17.5129 k =-0.0312 0.0703 0.0769 ( 4755 PWs) bands (ev): -77.8063 -77.8063 -77.7753 -77.7753 -44.7190 -44.7190 -44.6258 -44.6258 -31.4701 -31.4701 -31.1358 -31.1358 -31.0978 -31.0978 -31.0753 -31.0753 -13.1751 -13.1751 0.2020 0.2020 1.3096 1.3096 1.8908 1.8908 2.4414 2.4414 3.2985 3.2985 7.7958 7.7958 8.3838 8.3838 8.5336 8.5336 8.6896 8.6896 8.9782 8.9782 10.4699 10.4699 10.6040 10.6040 12.0760 12.0760 12.4090 12.4090 13.3868 13.3868 13.8755 13.8755 14.1184 14.1184 15.0319 15.0319 15.5195 15.5195 16.6610 16.6610 16.7784 16.7784 17.3765 17.3765 17.5173 17.5173 k =-0.0250 0.0562 0.0615 ( 4755 PWs) bands (ev): -77.8064 -77.8064 -77.7752 -77.7752 -44.7193 -44.7193 -44.6254 -44.6254 -31.4713 -31.4713 -31.1360 -31.1360 -31.0963 -31.0963 -31.0750 -31.0750 -13.1760 -13.1760 0.2043 0.2043 1.3041 1.3041 1.8857 1.8857 2.4432 2.4432 3.2993 3.2993 7.7803 7.7803 8.3919 8.3919 8.5412 8.5412 8.6647 8.6647 8.9790 8.9790 10.4812 10.4812 10.6122 10.6122 12.0872 12.0872 12.3952 12.3952 13.4137 13.4137 13.9041 13.9041 14.1472 14.1472 15.0279 15.0279 15.5213 15.5213 16.6407 16.6407 16.7710 16.7710 17.3995 17.3995 17.5284 17.5284 k =-0.0187 0.0422 0.0462 ( 4745 PWs) bands (ev): -77.8065 -77.8065 -77.7751 -77.7751 -44.7195 -44.7195 -44.6252 -44.6252 -31.4723 -31.4723 -31.1361 -31.1361 -31.0952 -31.0952 -31.0748 -31.0748 -13.1767 -13.1767 0.2060 0.2060 1.2997 1.2997 1.8818 1.8818 2.4448 2.4448 3.2999 3.2999 7.7681 7.7681 8.3994 8.3994 8.5495 8.5495 8.6417 8.6417 8.9799 8.9799 10.4901 10.4901 10.6186 10.6186 12.0967 12.0967 12.3836 12.3836 13.4348 13.4348 13.9269 13.9269 14.1701 14.1701 15.0241 15.0241 15.5231 15.5231 16.6228 16.6228 16.7654 16.7654 17.4150 17.4150 17.5426 17.5426 k =-0.0125 0.0281 0.0308 ( 4747 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7196 -44.7196 -44.6250 -44.6250 -31.4729 -31.4729 -31.1363 -31.1363 -31.0945 -31.0945 -31.0747 -31.0747 -13.1772 -13.1772 0.2073 0.2073 1.2964 1.2964 1.8790 1.8790 2.4459 2.4459 3.3003 3.3003 7.7592 7.7592 8.4054 8.4054 8.5586 8.5586 8.6213 8.6213 8.9808 8.9808 10.4964 10.4964 10.6232 10.6232 12.1038 12.1038 12.3747 12.3747 13.4499 13.4499 13.9435 13.9435 14.1869 14.1869 15.0209 15.0209 15.5246 15.5246 16.6088 16.6088 16.7614 16.7614 17.4250 17.4250 17.5556 17.5556 k =-0.0062 0.0141 0.0154 ( 4737 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7197 -44.7197 -44.6249 -44.6249 -31.4733 -31.4733 -31.1363 -31.1363 -31.0940 -31.0940 -31.0746 -31.0746 -13.1776 -13.1776 0.2080 0.2080 1.2944 1.2944 1.8774 1.8774 2.4467 2.4467 3.3005 3.3005 7.7539 7.7539 8.4095 8.4095 8.5685 8.5685 8.6044 8.6044 8.9813 8.9813 10.5002 10.5002 10.6259 10.6259 12.1084 12.1084 12.3692 12.3692 13.4591 13.4591 13.9536 13.9536 14.1970 14.1970 15.0189 15.0189 15.5256 15.5256 16.5998 16.5998 16.7590 16.7590 17.4307 17.4307 17.5646 17.5646 k = 0.0000 0.0000 0.0000 ( 4725 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7197 -44.7197 -44.6248 -44.6248 -31.4735 -31.4735 -31.1363 -31.1363 -31.0938 -31.0938 -31.0746 -31.0746 -13.1777 -13.1777 0.2083 0.2083 1.2938 1.2938 1.8769 1.8769 2.4469 2.4469 3.3006 3.3006 7.7521 7.7521 8.4109 8.4109 8.5748 8.5748 8.5957 8.5957 8.9815 8.9815 10.5015 10.5015 10.6268 10.6268 12.1099 12.1099 12.3673 12.3673 13.4622 13.4622 13.9570 13.9570 14.2005 14.2005 15.0182 15.0182 15.5260 15.5260 16.5968 16.5968 16.7582 16.7582 17.4325 17.4325 17.5677 17.5677 k = 0.0000 0.0000 0.0000 ( 4725 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7197 -44.7197 -44.6248 -44.6248 -31.4735 -31.4735 -31.1363 -31.1363 -31.0938 -31.0938 -31.0746 -31.0746 -13.1777 -13.1777 0.2083 0.2083 1.2938 1.2938 1.8769 1.8769 2.4469 2.4469 3.3006 3.3006 7.7521 7.7521 8.4109 8.4109 8.5748 8.5748 8.5957 8.5957 8.9815 8.9815 10.5015 10.5015 10.6268 10.6268 12.1099 12.1099 12.3673 12.3673 13.4622 13.4622 13.9570 13.9570 14.2005 14.2005 15.0182 15.0182 15.5260 15.5260 16.5968 16.5968 16.7582 16.7582 17.4325 17.4325 17.5677 17.5677 k = 0.0200 0.0089 0.0000 ( 4741 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7198 -44.7198 -44.6248 -44.6248 -31.4735 -31.4735 -31.1363 -31.1363 -31.0938 -31.0938 -31.0746 -31.0746 -13.1777 -13.1777 0.2074 0.2074 1.2928 1.2928 1.8800 1.8800 2.4470 2.4470 3.2998 3.2998 7.7526 7.7526 8.4103 8.4103 8.5743 8.5743 8.5956 8.5956 8.9799 8.9799 10.5019 10.5019 10.6272 10.6272 12.1087 12.1087 12.3692 12.3692 13.4626 13.4626 13.9582 13.9582 14.2013 14.2013 15.0217 15.0217 15.5256 15.5256 16.5695 16.5695 16.7787 16.7787 17.4321 17.4321 17.5676 17.5676 k = 0.0400 0.0178 0.0000 ( 4749 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7198 -44.7198 -44.6248 -44.6248 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1776 -13.1776 0.2047 0.2047 1.2899 1.2899 1.8891 1.8891 2.4471 2.4471 3.2973 3.2973 7.7540 7.7540 8.4085 8.4085 8.5727 8.5727 8.5956 8.5956 8.9751 8.9751 10.5032 10.5032 10.6282 10.6282 12.1049 12.1049 12.3750 12.3750 13.4639 13.4639 13.9621 13.9621 14.2038 14.2038 15.0321 15.0321 15.5246 15.5246 16.5070 16.5070 16.8216 16.8216 17.4310 17.4310 17.5672 17.5672 k = 0.0600 0.0266-0.0000 ( 4753 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7199 -44.7199 -44.6248 -44.6248 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1776 -13.1776 0.2002 0.2002 1.2853 1.2853 1.9040 1.9040 2.4473 2.4473 3.2931 3.2931 7.7564 7.7564 8.4056 8.4056 8.5701 8.5701 8.5957 8.5957 8.9672 8.9672 10.5054 10.5054 10.6300 10.6300 12.0986 12.0986 12.3848 12.3848 13.4660 13.4660 13.9685 13.9685 14.2079 14.2079 15.0494 15.0494 15.5228 15.5228 16.4267 16.4267 16.8711 16.8711 17.4292 17.4292 17.5666 17.5666 k = 0.0800 0.0355 0.0000 ( 4749 PWs) bands (ev): -77.8066 -77.8066 -77.7750 -77.7750 -44.7199 -44.7199 -44.6248 -44.6248 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1776 -13.1776 0.1942 0.1942 1.2793 1.2793 1.9243 1.9243 2.4476 2.4476 3.2873 3.2873 7.7597 7.7597 8.4017 8.4017 8.5666 8.5666 8.5957 8.5957 8.9563 8.9563 10.5084 10.5084 10.6323 10.6323 12.0901 12.0901 12.3984 12.3984 13.4690 13.4690 13.9774 13.9774 14.2136 14.2136 15.0733 15.0733 15.5201 15.5201 16.3345 16.3345 16.9242 16.9242 17.4266 17.4266 17.5659 17.5659 k = 0.1000 0.0444 0.0000 ( 4757 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6248 -44.6248 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1775 -13.1775 0.1866 0.1866 1.2724 1.2724 1.9492 1.9492 2.4479 2.4479 3.2799 3.2799 7.7637 7.7637 8.3967 8.3967 8.5622 8.5622 8.5958 8.5958 8.9427 8.9427 10.5122 10.5122 10.6353 10.6353 12.0795 12.0795 12.4159 12.4159 13.4726 13.4726 13.9886 13.9886 14.2208 14.2208 15.1035 15.1035 15.5164 15.5164 16.2333 16.2333 16.9810 16.9810 17.4231 17.4231 17.5651 17.5651 k = 0.1200 0.0533-0.0000 ( 4749 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6247 -44.6247 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1775 -13.1775 0.1777 0.1777 1.2648 1.2648 1.9784 1.9784 2.4484 2.4484 3.2708 3.2708 7.7685 7.7685 8.3908 8.3908 8.5571 8.5571 8.5959 8.5959 8.9266 8.9266 10.5166 10.5166 10.6388 10.6388 12.0671 12.0671 12.4374 12.4374 13.4769 13.4769 14.0019 14.0019 14.2296 14.2296 15.1397 15.1397 15.5112 15.5112 16.1254 16.1254 17.0422 17.0422 17.4187 17.4187 17.5642 17.5642 k = 0.1400 0.0621-0.0000 ( 4749 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6247 -44.6247 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1774 -13.1774 0.1677 0.1677 1.2570 1.2570 2.0113 2.0113 2.4489 2.4489 3.2601 3.2601 7.7738 7.7738 8.3842 8.3842 8.5514 8.5514 8.5959 8.5959 8.9083 8.9083 10.5216 10.5216 10.6428 10.6428 12.0532 12.0532 12.4627 12.4627 13.4818 13.4818 14.0172 14.0172 14.2396 14.2396 15.1814 15.1814 15.5036 15.5036 16.0134 16.0134 17.1084 17.1084 17.4135 17.4135 17.5631 17.5631 k = 0.1600 0.0710 0.0000 ( 4757 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6248 -44.6248 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1773 -13.1773 0.1567 0.1567 1.2491 1.2491 2.0472 2.0472 2.4494 2.4494 3.2478 3.2478 7.7795 7.7795 8.3768 8.3768 8.5453 8.5453 8.5959 8.5959 8.8881 8.8881 10.5271 10.5271 10.6471 10.6471 12.0381 12.0381 12.4919 12.4919 13.4870 13.4870 14.0341 14.0341 14.2509 14.2509 15.2283 15.2283 15.4919 15.4919 15.9007 15.9007 17.1797 17.1797 17.4072 17.4072 17.5619 17.5619 k = 0.1800 0.0799 0.0000 ( 4765 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6249 -44.6249 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1772 -13.1772 0.1449 0.1449 1.2414 1.2414 2.0857 2.0857 2.4500 2.4500 3.2338 3.2338 7.7856 7.7856 8.3689 8.3689 8.5388 8.5388 8.5960 8.5960 8.8664 8.8664 10.5330 10.5330 10.6517 10.6517 12.0221 12.0221 12.5250 12.5250 13.4925 13.4925 14.0523 14.0523 14.2634 14.2634 15.2796 15.2796 15.4721 15.4721 15.7928 15.7928 17.2560 17.2560 17.4000 17.4000 17.5609 17.5609 k = 0.2000 0.0888 0.0000 ( 4765 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6249 -44.6249 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1772 -13.1772 0.1326 0.1326 1.2340 1.2340 2.1264 2.1264 2.4506 2.4506 3.2183 3.2183 7.7917 7.7917 8.3606 8.3606 8.5322 8.5322 8.5961 8.5961 8.8435 8.8435 10.5392 10.5392 10.6565 10.6565 12.0054 12.0054 12.5620 12.5620 13.4983 13.4983 14.0716 14.0716 14.2769 14.2769 15.3348 15.3348 15.4356 15.4356 15.6996 15.6996 17.3363 17.3363 17.3919 17.3919 17.5608 17.5608 k = 0.2200 0.0977 0.0000 ( 4773 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7200 -44.7200 -44.6249 -44.6249 -31.4735 -31.4735 -31.1364 -31.1364 -31.0938 -31.0938 -31.0746 -31.0746 -13.1771 -13.1771 0.1200 0.1200 1.2271 1.2271 2.1689 2.1689 2.4513 2.4513 3.2011 3.2011 7.7979 7.7979 8.3520 8.3520 8.5256 8.5256 8.5962 8.5962 8.8197 8.8197 10.5455 10.5455 10.6615 10.6615 11.9884 11.9884 12.6030 12.6030 13.5042 13.5042 14.0913 14.0913 14.2914 14.2914 15.3712 15.3712 15.3932 15.3932 15.6334 15.6334 17.3829 17.3829 17.4171 17.4171 17.5649 17.5649 k = 0.2400 0.1065-0.0000 ( 4789 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7200 -44.7200 -44.6250 -44.6250 -31.4735 -31.4735 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1770 -13.1770 0.1074 0.1074 1.2207 1.2207 2.2128 2.2128 2.4519 2.4519 3.1823 3.1823 7.8038 7.8038 8.3433 8.3433 8.5194 8.5194 8.5963 8.5963 8.7955 8.7955 10.5518 10.5518 10.6665 10.6665 11.9714 11.9714 12.6478 12.6478 13.5100 13.5100 14.1109 14.1109 14.3064 14.3064 15.2788 15.2788 15.4541 15.4541 15.5957 15.5957 17.3732 17.3732 17.4835 17.4835 17.5879 17.5879 k = 0.2600 0.1154 0.0000 ( 4789 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7200 -44.7200 -44.6250 -44.6250 -31.4735 -31.4735 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1769 -13.1769 0.0948 0.0948 1.2149 1.2149 2.2577 2.2577 2.4526 2.4526 3.1619 3.1619 7.8095 7.8095 8.3346 8.3346 8.5136 8.5136 8.5964 8.5964 8.7711 8.7711 10.5582 10.5582 10.6715 10.6715 11.9546 11.9546 12.6966 12.6966 13.5158 13.5158 14.1297 14.1297 14.3220 14.3220 15.1709 15.1709 15.5167 15.5167 15.5751 15.5751 17.3630 17.3630 17.5094 17.5094 17.6554 17.6554 k = 0.2800 0.1243-0.0000 ( 4812 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7201 -44.7201 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1768 -13.1768 0.0825 0.0825 1.2095 1.2095 2.3034 2.3034 2.4533 2.4533 3.1399 3.1399 7.8147 7.8147 8.3259 8.3259 8.5085 8.5085 8.5964 8.5964 8.7468 8.7468 10.5644 10.5644 10.6763 10.6763 11.9383 11.9383 12.7493 12.7493 13.5214 13.5214 14.1466 14.1466 14.3379 14.3379 15.0574 15.0574 15.5629 15.5629 15.5800 15.5800 17.3524 17.3524 17.5120 17.5120 17.7500 17.7500 k = 0.3000 0.1332-0.0000 ( 4812 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7201 -44.7201 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1767 -13.1767 0.0707 0.0707 1.2048 1.2048 2.3496 2.3496 2.4539 2.4539 3.1163 3.1163 7.8194 7.8194 8.3176 8.3176 8.5043 8.5043 8.5965 8.5965 8.7229 8.7229 10.5704 10.5704 10.6811 10.6811 11.9227 11.9227 12.8057 12.8057 13.5267 13.5267 14.1602 14.1602 14.3539 14.3539 14.9442 14.9442 15.5549 15.5549 15.6432 15.6432 17.3419 17.3419 17.5079 17.5079 17.8546 17.8546 k = 0.3200 0.1420 0.0000 ( 4816 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7201 -44.7201 -44.6250 -44.6250 -31.4736 -31.4736 -31.1365 -31.1365 -31.0939 -31.0939 -31.0747 -31.0747 -13.1766 -13.1766 0.0595 0.0595 1.2006 1.2006 2.3960 2.3960 2.4545 2.4545 3.0911 3.0911 7.8234 7.8234 8.3097 8.3097 8.5011 8.5011 8.5966 8.5966 8.6997 8.6997 10.5760 10.5760 10.6855 10.6855 11.9079 11.9079 12.8660 12.8660 13.5318 13.5318 14.1685 14.1685 14.3696 14.3696 14.8356 14.8356 15.5492 15.5492 15.7052 15.7052 17.3317 17.3317 17.5013 17.5013 17.9650 17.9650 k = 0.3400 0.1509 0.0000 ( 4808 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7200 -44.7200 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1765 -13.1765 0.0491 0.0491 1.1969 1.1969 2.4425 2.4425 2.4551 2.4551 3.0643 3.0643 7.8269 7.8269 8.3023 8.3023 8.4992 8.4992 8.5967 8.5967 8.6773 8.6773 10.5813 10.5813 10.6897 10.6897 11.8944 11.8944 12.9299 12.9299 13.5364 13.5364 14.1683 14.1683 14.3848 14.3848 14.7357 14.7357 15.5450 15.5450 15.7650 15.7650 17.3221 17.3221 17.4936 17.4936 18.0793 18.0793 k = 0.3600 0.1598 0.0000 ( 4788 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7200 -44.7200 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1765 -13.1765 0.0396 0.0396 1.1937 1.1937 2.4557 2.4557 2.4886 2.4886 3.0360 3.0360 7.8297 7.8297 8.2955 8.2955 8.4986 8.4986 8.5968 8.5968 8.6560 8.6560 10.5861 10.5861 10.6935 10.6935 11.8820 11.8820 12.9972 12.9972 13.5405 13.5405 14.1551 14.1551 14.3992 14.3992 14.6495 14.6495 15.5417 15.5417 15.8214 15.8214 17.3135 17.3135 17.4854 17.4854 18.1968 18.1968 k = 0.3800 0.1687-0.0000 ( 4780 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7200 -44.7200 -44.6249 -44.6249 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0746 -31.0746 -13.1764 -13.1764 0.0312 0.0312 1.1910 1.1910 2.4562 2.4562 2.5344 2.5344 3.0061 3.0061 7.8319 7.8319 8.2894 8.2894 8.4995 8.4995 8.5969 8.5969 8.6359 8.6359 10.5904 10.5904 10.6969 10.6969 11.8710 11.8710 13.0676 13.0676 13.5442 13.5442 14.1243 14.1243 14.4124 14.4124 14.5823 14.5823 15.5390 15.5390 15.8733 15.8733 17.3060 17.3060 17.4771 17.4771 18.3166 18.3166 k = 0.4000 0.1776 0.0000 ( 4784 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7200 -44.7200 -44.6249 -44.6249 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0746 -31.0746 -13.1763 -13.1763 0.0238 0.0238 1.1888 1.1888 2.4566 2.4566 2.5795 2.5795 2.9747 2.9747 7.8336 7.8336 8.2841 8.2841 8.5017 8.5017 8.5969 8.5969 8.6170 8.6170 10.5942 10.5942 10.6999 10.6999 11.8616 11.8616 13.1406 13.1406 13.5474 13.5474 14.0740 14.0740 14.4242 14.4242 14.5364 14.5364 15.5369 15.5369 15.9196 15.9196 17.2998 17.2998 17.4693 17.4693 18.4379 18.4379 k = 0.4200 0.1864 0.0000 ( 4792 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7199 -44.7199 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1763 -13.1763 0.0177 0.0177 1.1870 1.1870 2.4570 2.4570 2.6238 2.6238 2.9418 2.9418 7.8348 7.8348 8.2797 8.2797 8.5055 8.5055 8.5967 8.5967 8.5997 8.5997 10.5972 10.5972 10.7023 10.7023 11.8537 11.8537 13.2152 13.2152 13.5499 13.5499 14.0078 14.0078 14.4342 14.4342 14.5091 14.5091 15.5352 15.5352 15.9591 15.9591 17.2949 17.2949 17.4623 17.4623 18.5596 18.5596 k = 0.4400 0.1953 0.0000 ( 4800 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7200 -44.7200 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1763 -13.1763 0.0129 0.0129 1.1856 1.1856 2.4572 2.4572 2.6670 2.6670 2.9076 2.9076 7.8356 7.8356 8.2761 8.2761 8.5105 8.5105 8.5836 8.5836 8.5970 8.5970 10.5997 10.5997 10.7042 10.7042 11.8474 11.8474 13.2897 13.2897 13.5520 13.5520 13.9333 13.9333 14.4424 14.4424 14.4946 14.4946 15.5340 15.5340 15.9909 15.9909 17.2914 17.2914 17.4564 17.4564 18.6801 18.6801 k = 0.4600 0.2042 0.0000 ( 4804 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7200 -44.7200 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1762 -13.1762 0.0095 0.0095 1.1846 1.1846 2.4575 2.4575 2.7087 2.7087 2.8723 2.8723 7.8361 7.8361 8.2736 8.2736 8.5167 8.5167 8.5698 8.5698 8.5970 8.5970 10.6014 10.6014 10.7056 10.7056 11.8429 11.8429 13.3598 13.3598 13.5535 13.5535 13.8597 13.8597 14.4483 14.4483 14.4877 14.4877 15.5331 15.5331 16.0143 16.0143 17.2890 17.2890 17.4520 17.4520 18.7958 18.7958 k = 0.4800 0.2131-0.0000 ( 4796 PWs) bands (ev): -77.8067 -77.8067 -77.7751 -77.7751 -44.7200 -44.7200 -44.6250 -44.6250 -31.4736 -31.4736 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1762 -13.1762 0.0074 0.0074 1.1840 1.1840 2.4576 2.4576 2.7479 2.7479 2.8371 2.8371 7.8364 7.8364 8.2721 8.2721 8.5229 8.5229 8.5589 8.5589 8.5971 8.5971 10.6025 10.6025 10.7065 10.7065 11.8402 11.8402 13.4163 13.4163 13.5544 13.5544 13.8001 13.8001 14.4520 14.4520 14.4847 14.4847 15.5325 15.5325 16.0285 16.0285 17.2877 17.2877 17.4493 17.4493 18.8964 18.8964 k = 0.5000 0.2219 0.0000 ( 4788 PWs) bands (ev): -77.8067 -77.8067 -77.7750 -77.7750 -44.7199 -44.7199 -44.6250 -44.6250 -31.4735 -31.4735 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1762 -13.1762 0.0067 0.0067 1.1838 1.1838 2.4576 2.4576 2.7726 2.7726 2.8137 2.8137 7.8365 7.8365 8.2716 8.2716 8.5262 8.5262 8.5542 8.5542 8.5970 8.5970 10.6029 10.6029 10.7068 10.7068 11.8393 11.8393 13.4399 13.4399 13.5546 13.5546 13.7753 13.7753 14.4532 14.4532 14.4839 14.4839 15.5325 15.5325 16.0333 16.0333 17.2874 17.2874 17.4484 17.4484 18.9447 18.9447 k = 0.5000 0.2219 0.0000 ( 4788 PWs) bands (ev): -77.8067 -77.8067 -77.7750 -77.7750 -44.7199 -44.7199 -44.6250 -44.6250 -31.4735 -31.4735 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1762 -13.1762 0.0067 0.0067 1.1838 1.1838 2.4576 2.4576 2.7726 2.7726 2.8137 2.8137 7.8365 7.8365 8.2716 8.2716 8.5262 8.5262 8.5542 8.5542 8.5970 8.5970 10.6029 10.6029 10.7068 10.7068 11.8393 11.8393 13.4399 13.4399 13.5546 13.5546 13.7753 13.7753 14.4532 14.4532 14.4839 14.4839 15.5325 15.5325 16.0333 16.0333 17.2874 17.2874 17.4484 17.4484 18.9447 18.9447 k = 0.4937 0.2360 0.0154 ( 4792 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6250 -44.6250 -31.4734 -31.4734 -31.1364 -31.1364 -31.0941 -31.0941 -31.0747 -31.0747 -13.1761 -13.1761 0.0070 0.0070 1.1841 1.1841 2.4547 2.4547 2.7731 2.7731 2.8161 2.8161 7.8382 7.8382 8.2690 8.2690 8.5110 8.5110 8.5702 8.5702 8.6018 8.6018 10.6002 10.6002 10.7046 10.7046 11.8403 11.8403 13.4346 13.4346 13.5541 13.5541 13.7762 13.7762 14.4496 14.4496 14.4822 14.4822 15.5349 15.5349 16.0356 16.0356 17.2831 17.2831 17.4440 17.4440 18.9398 18.9398 k = 0.4875 0.2501 0.0309 ( 4794 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7198 -44.7198 -44.6251 -44.6251 -31.4730 -31.4730 -31.1363 -31.1363 -31.0945 -31.0945 -31.0748 -31.0748 -13.1758 -13.1758 0.0081 0.0081 1.1848 1.1848 2.4462 2.4462 2.7743 2.7743 2.8234 2.8234 7.8432 7.8432 8.2615 8.2615 8.4891 8.4891 8.5927 8.5927 8.6175 8.6175 10.5921 10.5921 10.6981 10.6981 11.8434 11.8434 13.4196 13.4196 13.5517 13.5517 13.7788 13.7788 14.4385 14.4385 14.4776 14.4776 15.5423 15.5423 16.0424 16.0424 17.2691 17.2691 17.4328 17.4328 18.9254 18.9254 k = 0.4812 0.2643 0.0463 ( 4790 PWs) bands (ev): -77.8065 -77.8065 -77.7752 -77.7752 -44.7197 -44.7197 -44.6253 -44.6253 -31.4724 -31.4724 -31.1362 -31.1362 -31.0953 -31.0953 -31.0749 -31.0749 -13.1753 -13.1753 0.0099 0.0099 1.1860 1.1860 2.4328 2.4328 2.7757 2.7757 2.8353 2.8353 7.8517 7.8517 8.2499 8.2499 8.4689 8.4689 8.6127 8.6127 8.6443 8.6443 10.5785 10.5785 10.6876 10.6876 11.8483 11.8483 13.3961 13.3961 13.5462 13.5462 13.7828 13.7828 14.4192 14.4192 14.4718 14.4718 15.5541 15.5541 16.0536 16.0536 17.2427 17.2427 17.4198 17.4198 18.9031 18.9031 k = 0.4750 0.2784 0.0617 ( 4797 PWs) bands (ev): -77.8065 -77.8065 -77.7753 -77.7753 -44.7194 -44.7194 -44.6256 -44.6256 -31.4714 -31.4714 -31.1361 -31.1361 -31.0964 -31.0964 -31.0751 -31.0751 -13.1745 -13.1745 0.0124 0.0124 1.1877 1.1877 2.4157 2.4157 2.7770 2.7770 2.8512 2.8512 7.8633 7.8633 8.2351 8.2351 8.4513 8.4513 8.6337 8.6337 8.6765 8.6765 10.5594 10.5594 10.6735 10.6735 11.8546 11.8546 13.3652 13.3652 13.5364 13.5364 13.7878 13.7878 14.3922 14.3922 14.4660 14.4660 15.5695 15.5695 16.0694 16.0694 17.2018 17.2018 17.4094 17.4094 18.8750 18.8750 k = 0.4687 0.2925 0.0772 ( 4795 PWs) bands (ev): -77.8063 -77.8063 -77.7754 -77.7754 -44.7191 -44.7191 -44.6259 -44.6259 -31.4702 -31.4702 -31.1359 -31.1359 -31.0978 -31.0978 -31.0753 -31.0753 -13.1736 -13.1736 0.0155 0.0155 1.1899 1.1899 2.3957 2.3957 2.7782 2.7782 2.8702 2.8702 7.8782 7.8782 8.2180 8.2180 8.4367 8.4367 8.6579 8.6579 8.7112 8.7112 10.5347 10.5347 10.6562 10.6562 11.8618 11.8618 13.3280 13.3280 13.5218 13.5218 13.7929 13.7929 14.3586 14.3586 14.4610 14.4610 15.5877 15.5877 16.0895 16.0895 17.1479 17.1479 17.4034 17.4034 18.8428 18.8428 k = 0.4624 0.3066 0.0926 ( 4789 PWs) bands (ev): -77.8062 -77.8062 -77.7755 -77.7755 -44.7187 -44.7187 -44.6263 -44.6263 -31.4687 -31.4687 -31.1356 -31.1356 -31.0995 -31.0995 -31.0756 -31.0756 -13.1725 -13.1725 0.0191 0.0191 1.1926 1.1926 2.3737 2.3737 2.7792 2.7792 2.8914 2.8914 7.8959 7.8959 8.1997 8.1997 8.4250 8.4250 8.6851 8.6851 8.7472 8.7472 10.5046 10.5046 10.6362 10.6362 11.8693 11.8693 13.2851 13.2851 13.5021 13.5021 13.7968 13.7968 14.3196 14.3196 14.4579 14.4579 15.6078 15.6078 16.1140 16.1140 17.0841 17.0841 17.4012 17.4012 18.8078 18.8078 k = 0.4562 0.3207 0.1080 ( 4789 PWs) bands (ev): -77.8061 -77.8061 -77.7757 -77.7757 -44.7182 -44.7182 -44.6268 -44.6268 -31.4669 -31.4669 -31.1354 -31.1354 -31.1016 -31.1016 -31.0760 -31.0760 -13.1712 -13.1712 0.0231 0.0231 1.1960 1.1960 2.3503 2.3503 2.7802 2.7802 2.9143 2.9143 7.9164 7.9164 8.1810 8.1810 8.4161 8.4161 8.7153 8.7153 8.7840 8.7840 10.4694 10.4694 10.6136 10.6136 11.8766 11.8766 13.2371 13.2371 13.4775 13.4775 13.7980 13.7980 14.2765 14.2765 14.4579 14.4579 15.6289 15.6289 16.1427 16.1427 17.0139 17.0139 17.4017 17.4017 18.7708 18.7708 k = 0.4499 0.3348 0.1234 ( 4785 PWs) bands (ev): -77.8059 -77.8059 -77.7758 -77.7758 -44.7177 -44.7177 -44.6274 -44.6274 -31.4649 -31.4649 -31.1351 -31.1351 -31.1039 -31.1039 -31.0764 -31.0764 -13.1697 -13.1697 0.0274 0.0274 1.2000 1.2000 2.3262 2.3262 2.7811 2.7811 2.9383 2.9383 7.9393 7.9393 8.1629 8.1629 8.4101 8.4101 8.7482 8.7482 8.8215 8.8215 10.4293 10.4293 10.5886 10.5886 11.8830 11.8830 13.1846 13.1846 13.4483 13.4483 13.7947 13.7947 14.2306 14.2306 14.4622 14.4622 15.6501 15.6501 16.1753 16.1753 16.9402 16.9402 17.4041 17.4041 18.7326 18.7326 k = 0.4437 0.3489 0.1389 ( 4781 PWs) bands (ev): -77.8057 -77.8057 -77.7760 -77.7760 -44.7170 -44.7170 -44.6280 -44.6280 -31.4626 -31.4626 -31.1347 -31.1347 -31.1065 -31.1065 -31.0768 -31.0768 -13.1680 -13.1680 0.0320 0.0320 1.2047 1.2047 2.3018 2.3018 2.7819 2.7819 2.9631 2.9631 7.9638 7.9638 8.1463 8.1463 8.4068 8.4068 8.7836 8.7836 8.8594 8.8594 10.3847 10.3847 10.5614 10.5614 11.8879 11.8879 13.1282 13.1282 13.4146 13.4146 13.7850 13.7850 14.1834 14.1834 14.4716 14.4716 15.6709 15.6709 16.2115 16.2115 16.8651 16.8651 17.4077 17.4077 18.6935 18.6935 k = 0.4374 0.3630 0.1543 ( 4777 PWs) bands (ev): -77.8054 -77.8054 -77.7763 -77.7763 -44.7164 -44.7164 -44.6287 -44.6287 -31.4601 -31.4601 -31.1343 -31.1343 -31.1095 -31.1095 -31.0773 -31.0773 -13.1662 -13.1662 0.0366 0.0366 1.2102 1.2102 2.2775 2.2775 2.7827 2.7827 2.9883 2.9883 7.9889 7.9889 8.1327 8.1327 8.4063 8.4063 8.8211 8.8211 8.8974 8.8974 10.3361 10.3361 10.5320 10.5320 11.8908 11.8908 13.0687 13.0687 13.3769 13.3769 13.7672 13.7672 14.1365 14.1365 14.4870 14.4870 15.6905 15.6905 16.2508 16.2508 16.7902 16.7902 17.4120 17.4120 18.5714 18.5714 k = 0.4311 0.3771 0.1697 ( 4775 PWs) bands (ev): -77.8052 -77.8052 -77.7765 -77.7765 -44.7156 -44.7156 -44.6294 -44.6294 -31.4573 -31.4573 -31.1339 -31.1339 -31.1127 -31.1127 -31.0778 -31.0778 -13.1642 -13.1642 0.0411 0.0411 1.2165 1.2165 2.2535 2.2535 2.7833 2.7833 3.0138 3.0138 8.0121 8.0121 8.1247 8.1247 8.4085 8.4085 8.8608 8.8608 8.9356 8.9356 10.2838 10.2838 10.5005 10.5005 11.8913 11.8913 13.0066 13.0066 13.3354 13.3354 13.7396 13.7396 14.0912 14.0912 14.5086 14.5086 15.7086 15.7086 16.2922 16.2922 16.7171 16.7171 17.4168 17.4168 18.4345 18.4345 k = 0.4249 0.3912 0.1852 ( 4773 PWs) bands (ev): -77.8049 -77.8049 -77.7768 -77.7768 -44.7148 -44.7148 -44.6303 -44.6303 -31.4543 -31.4543 -31.1334 -31.1334 -31.1162 -31.1162 -31.0784 -31.0784 -13.1621 -13.1621 0.0454 0.0454 1.2236 1.2236 2.2303 2.2303 2.7837 2.7837 3.0393 3.0393 8.0288 8.0288 8.1267 8.1267 8.4137 8.4137 8.9024 8.9024 8.9737 8.9737 10.2282 10.2282 10.4671 10.4671 11.8890 11.8890 12.9425 12.9425 13.2904 13.2904 13.7014 13.7014 14.0485 14.0485 14.5362 14.5362 15.7246 15.7246 16.3345 16.3345 16.6470 16.6470 17.4216 17.4216 18.3018 18.3018 k = 0.4186 0.4053 0.2006 ( 4773 PWs) bands (ev): -77.8046 -77.8046 -77.7771 -77.7771 -44.7140 -44.7140 -44.6312 -44.6312 -31.4510 -31.4510 -31.1329 -31.1329 -31.1199 -31.1199 -31.0790 -31.0790 -13.1599 -13.1599 0.0493 0.0493 1.2317 1.2317 2.2079 2.2079 2.7840 2.7840 3.0647 3.0647 8.0353 8.0353 8.1425 8.1425 8.4218 8.4218 8.9456 8.9456 9.0117 9.0117 10.1695 10.1695 10.4318 10.4318 11.8836 11.8836 12.8770 12.8770 13.2424 13.2424 13.6528 13.6528 14.0088 14.0088 14.5696 14.5696 15.7383 15.7383 16.3754 16.3754 16.5813 16.5813 17.4261 17.4261 18.1772 18.1772 k = 0.4124 0.4194 0.2160 ( 4777 PWs) bands (ev): -77.8043 -77.8043 -77.7774 -77.7774 -44.7130 -44.7130 -44.6322 -44.6322 -31.4474 -31.4474 -31.1325 -31.1325 -31.1239 -31.1239 -31.0797 -31.0797 -13.1575 -13.1575 0.0527 0.0527 1.2407 1.2407 2.1868 2.1868 2.7840 2.7840 3.0899 3.0899 8.0344 8.0344 8.1692 8.1692 8.4331 8.4331 8.9902 8.9902 9.0496 9.0496 10.1081 10.1081 10.3947 10.3947 11.8749 11.8749 12.8105 12.8105 13.1918 13.1918 13.5947 13.5947 13.9715 13.9715 14.6080 14.6080 15.7494 15.7494 16.4096 16.4096 16.5238 16.5238 17.4298 17.4298 18.0648 18.0648 k = 0.4061 0.4335 0.2315 ( 4777 PWs) bands (ev): -77.8040 -77.8040 -77.7777 -77.7777 -44.7120 -44.7120 -44.6332 -44.6332 -31.4437 -31.4437 -31.1321 -31.1321 -31.1279 -31.1279 -31.0804 -31.0804 -13.1551 -13.1551 0.0555 0.0555 1.2508 1.2508 2.1669 2.1669 2.7838 2.7838 3.1147 3.1147 8.0309 8.0309 8.2017 8.2017 8.4480 8.4480 9.0357 9.0357 9.0877 9.0877 10.0444 10.0444 10.3561 10.3561 11.8630 11.8630 12.7433 12.7433 13.1389 13.1389 13.5286 13.5286 13.9356 13.9356 14.6511 14.6511 15.7579 15.7579 16.4177 16.4177 16.4913 16.4913 17.4323 17.4323 17.9687 17.9687 k = 0.3998 0.4476 0.2469 ( 4777 PWs) bands (ev): -77.8036 -77.8036 -77.7781 -77.7781 -44.7110 -44.7110 -44.6343 -44.6343 -31.4397 -31.4397 -31.1336 -31.1336 -31.1304 -31.1304 -31.0812 -31.0812 -13.1525 -13.1525 0.0576 0.0576 1.2619 1.2619 2.1487 2.1487 2.7832 2.7832 3.1390 3.1390 8.0275 8.0275 8.2367 8.2367 8.4668 8.4668 9.0812 9.0812 9.1264 9.1264 9.9787 9.9787 10.3160 10.3160 11.8480 11.8480 12.6756 12.6756 13.0842 13.0842 13.4561 13.4561 13.9003 13.9003 14.6978 14.6978 15.7636 15.7636 16.3830 16.3830 16.4975 16.4975 17.4331 17.4331 17.8936 17.8936 k = 0.3936 0.4617 0.2623 ( 4773 PWs) bands (ev): -77.8032 -77.8032 -77.7784 -77.7784 -44.7099 -44.7099 -44.6354 -44.6354 -31.4354 -31.4354 -31.1380 -31.1380 -31.1301 -31.1301 -31.0820 -31.0820 -13.1499 -13.1499 0.0587 0.0587 1.2740 1.2740 2.1322 2.1322 2.7823 2.7823 3.1627 3.1627 8.0256 8.0256 8.2724 8.2724 8.4900 8.4900 9.1253 9.1253 9.1667 9.1667 9.9117 9.9117 10.2748 10.2748 11.8301 11.8301 12.6076 12.6076 13.0280 13.0280 13.3784 13.3784 13.8647 13.8647 14.7477 14.7477 15.7668 15.7668 16.3384 16.3384 16.5057 16.5057 17.4321 17.4321 17.8437 17.8437 k = 0.3873 0.4758 0.2777 ( 4773 PWs) bands (ev): -77.8028 -77.8028 -77.7788 -77.7788 -44.7087 -44.7087 -44.6366 -44.6366 -31.4310 -31.4310 -31.1429 -31.1429 -31.1295 -31.1295 -31.0828 -31.0828 -13.1473 -13.1473 0.0590 0.0590 1.2871 1.2871 2.1176 2.1176 2.7811 2.7811 3.1856 3.1856 8.0259 8.0259 8.3077 8.3077 8.5179 8.5179 9.1662 9.1662 9.2095 9.2095 9.8441 9.8441 10.2325 10.2325 11.8096 11.8096 12.5392 12.5392 12.9706 12.9706 13.2967 13.2967 13.8282 13.8282 14.8000 14.8000 15.7674 15.7674 16.2960 16.2960 16.5008 16.5008 17.4299 17.4299 17.8216 17.8216 k = 0.3811 0.4899 0.2932 ( 4773 PWs) bands (ev): -77.8024 -77.8024 -77.7792 -77.7792 -44.7075 -44.7075 -44.6379 -44.6379 -31.4263 -31.4263 -31.1481 -31.1481 -31.1288 -31.1288 -31.0837 -31.0837 -13.1446 -13.1446 0.0582 0.0582 1.3011 1.3011 2.1050 2.1050 2.7794 2.7794 3.2076 3.2076 8.0287 8.0287 8.3420 8.3420 8.5507 8.5507 9.2033 9.2033 9.2543 9.2543 9.7771 9.7771 10.1895 10.1895 11.7868 11.7868 12.4704 12.4704 12.9123 12.9123 13.2120 13.2120 13.7903 13.7903 14.8538 14.8538 15.7657 15.7657 16.2581 16.2581 16.4798 16.4798 17.4272 17.4272 17.8279 17.8279 k = 0.3748 0.5040 0.3086 ( 4775 PWs) bands (ev): -77.8020 -77.8020 -77.7797 -77.7797 -44.7062 -44.7062 -44.6392 -44.6392 -31.4214 -31.4214 -31.1536 -31.1536 -31.1281 -31.1281 -31.0846 -31.0846 -13.1419 -13.1419 0.0565 0.0565 1.3160 1.3160 2.0947 2.0947 2.7773 2.7773 3.2287 3.2287 8.0343 8.0343 8.3749 8.3749 8.5882 8.5882 9.2371 9.2371 9.2982 9.2982 9.7132 9.7132 10.1460 10.1460 11.7623 11.7623 12.4012 12.4012 12.8534 12.8534 13.1250 13.1250 13.7509 13.7509 14.9085 14.9085 15.7619 15.7619 16.2252 16.2252 16.4438 16.4438 17.4240 17.4240 17.8604 17.8604 k = 0.3685 0.5181 0.3240 ( 4783 PWs) bands (ev): -77.8015 -77.8015 -77.7801 -77.7801 -44.7049 -44.7049 -44.6406 -44.6406 -31.4163 -31.4163 -31.1593 -31.1593 -31.1273 -31.1273 -31.0856 -31.0856 -13.1392 -13.1392 0.0537 0.0537 1.3315 1.3315 2.0868 2.0868 2.7748 2.7748 3.2485 3.2485 8.0429 8.0429 8.4066 8.4066 8.6298 8.6298 9.2682 9.2682 9.3354 9.3354 9.6576 9.6576 10.1024 10.1024 11.7362 11.7362 12.3316 12.3316 12.7941 12.7941 13.0366 13.0366 13.7099 13.7099 14.9630 14.9630 15.7564 15.7564 16.1975 16.1975 16.3965 16.3965 17.4195 17.4195 17.9163 17.9163 k = 0.3623 0.5322 0.3395 ( 4779 PWs) bands (ev): -77.8011 -77.8011 -77.7806 -77.7806 -44.7036 -44.7036 -44.6420 -44.6420 -31.4110 -31.4110 -31.1651 -31.1651 -31.1265 -31.1265 -31.0866 -31.0866 -13.1365 -13.1365 0.0500 0.0500 1.3475 1.3475 2.0814 2.0814 2.7717 2.7717 3.2670 3.2670 8.0547 8.0547 8.4374 8.4374 8.6748 8.6748 9.2968 9.2968 9.3549 9.3549 9.6213 9.6213 10.0592 10.0592 11.7090 11.7090 12.2619 12.2619 12.7343 12.7343 12.9474 12.9474 13.6673 13.6673 15.0161 15.0161 15.7494 15.7494 16.1749 16.1749 16.3430 16.3430 17.4127 17.4127 17.9915 17.9915 k = 0.3560 0.5463 0.3549 ( 4779 PWs) bands (ev): -77.8006 -77.8006 -77.7811 -77.7811 -44.7021 -44.7021 -44.6435 -44.6435 -31.4055 -31.4055 -31.1712 -31.1712 -31.1256 -31.1256 -31.0876 -31.0876 -13.1338 -13.1338 0.0454 0.0454 1.3638 1.3638 2.0786 2.0786 2.7683 2.7683 3.2840 3.2840 8.0696 8.0696 8.4679 8.4679 8.7220 8.7220 9.3225 9.3225 9.3438 9.3438 9.6175 9.6175 10.0171 10.0171 11.6807 11.6807 12.1920 12.1920 12.6740 12.6740 12.8585 12.8585 13.6231 13.6231 15.0663 15.0663 15.7410 15.7410 16.1573 16.1573 16.2883 16.2883 17.4025 17.4025 18.0824 18.0824 k = 0.3498 0.5604 0.3703 ( 4791 PWs) bands (ev): -77.8001 -77.8001 -77.7816 -77.7816 -44.7007 -44.7007 -44.6450 -44.6450 -31.3999 -31.3999 -31.1774 -31.1774 -31.1248 -31.1248 -31.0886 -31.0886 -13.1312 -13.1312 0.0400 0.0400 1.3802 1.3802 2.0786 2.0786 2.7644 2.7644 3.2994 3.2994 8.0878 8.0878 8.4984 8.4984 8.7698 8.7698 9.3028 9.3028 9.3468 9.3468 9.6438 9.6438 9.9773 9.9773 11.6513 11.6513 12.1226 12.1226 12.6129 12.6129 12.7709 12.7709 13.5775 13.5775 15.1119 15.1119 15.7313 15.7313 16.1446 16.1446 16.2376 16.2376 17.3881 17.3881 18.1852 18.1852 k = 0.3435 0.5745 0.3858 ( 4795 PWs) bands (ev): -77.7996 -77.7996 -77.7821 -77.7821 -44.6992 -44.6992 -44.6466 -44.6466 -31.3940 -31.3940 -31.1838 -31.1838 -31.1238 -31.1238 -31.0897 -31.0897 -13.1286 -13.1286 0.0339 0.0339 1.3963 1.3963 2.0815 2.0815 2.7600 2.7600 3.3130 3.3130 8.1093 8.1093 8.5292 8.5292 8.8163 8.8163 9.2495 9.2495 9.3669 9.3669 9.6849 9.6849 9.9421 9.9421 11.6207 11.6207 12.0540 12.0540 12.5498 12.5498 12.6866 12.6866 13.5306 13.5306 15.1504 15.1504 15.7203 15.7203 16.1361 16.1361 16.1958 16.1958 17.3692 17.3692 18.1943 18.1943 k = 0.3372 0.5886 0.4012 ( 4791 PWs) bands (ev): -77.7991 -77.7991 -77.7826 -77.7826 -44.6976 -44.6976 -44.6482 -44.6482 -31.3880 -31.3880 -31.1904 -31.1904 -31.1229 -31.1229 -31.0908 -31.0908 -13.1262 -13.1262 0.0272 0.0272 1.4120 1.4120 2.0873 2.0873 2.7553 2.7553 3.3247 3.3247 8.1341 8.1341 8.5605 8.5605 8.8574 8.8574 9.1954 9.1954 9.3837 9.3837 9.7270 9.7270 9.9172 9.9172 11.5884 11.5884 11.9869 11.9869 12.4831 12.4831 12.6084 12.6084 13.4828 13.4828 15.1794 15.1794 15.7077 15.7077 16.1312 16.1312 16.1682 16.1682 17.3454 17.3454 18.1760 18.1760 k = 0.3310 0.6027 0.4166 ( 4785 PWs) bands (ev): -77.7985 -77.7985 -77.7831 -77.7831 -44.6960 -44.6960 -44.6498 -44.6498 -31.3818 -31.3818 -31.1971 -31.1971 -31.1219 -31.1219 -31.0919 -31.0919 -13.1238 -13.1238 0.0200 0.0200 1.4269 1.4269 2.0961 2.0961 2.7502 2.7502 3.3342 3.3342 8.1621 8.1621 8.5925 8.5925 8.8851 8.8851 9.1522 9.1522 9.3963 9.3963 9.7537 9.7537 9.9152 9.9152 11.5539 11.5539 11.9220 11.9220 12.4109 12.4109 12.5392 12.5392 13.4341 13.4341 15.1966 15.1966 15.6937 15.6937 16.1287 16.1287 16.1590 16.1590 17.3167 17.3167 18.1593 18.1593 k = 0.3247 0.6168 0.4321 ( 4783 PWs) bands (ev): -77.7980 -77.7980 -77.7837 -77.7837 -44.6944 -44.6944 -44.6515 -44.6515 -31.3754 -31.3754 -31.2039 -31.2039 -31.1209 -31.1209 -31.0930 -31.0930 -13.1215 -13.1215 0.0126 0.0126 1.4408 1.4408 2.1078 2.1078 2.7449 2.7449 3.3415 3.3415 8.1934 8.1934 8.6250 8.6250 8.8866 8.8866 9.1345 9.1345 9.4044 9.4044 9.7538 9.7538 9.9465 9.9465 11.5166 11.5166 11.8603 11.8603 12.3330 12.3330 12.4802 12.4802 13.3848 13.3848 15.2006 15.2006 15.6787 15.6787 16.1308 16.1308 16.1676 16.1676 17.2831 17.2831 18.1441 18.1441 k = 0.3185 0.6309 0.4475 ( 4795 PWs) bands (ev): -77.7974 -77.7974 -77.7842 -77.7842 -44.6927 -44.6927 -44.6532 -44.6532 -31.3689 -31.3689 -31.2109 -31.2109 -31.1198 -31.1198 -31.0942 -31.0942 -13.1194 -13.1194 0.0051 0.0051 1.4536 1.4536 2.1223 2.1223 2.7394 2.7394 3.3464 3.3464 8.2278 8.2278 8.6573 8.6573 8.8579 8.8579 9.1469 9.1469 9.4077 9.4077 9.7378 9.7378 10.0003 10.0003 11.4756 11.4756 11.8026 11.8026 12.2513 12.2513 12.4307 12.4307 13.3352 13.3352 15.1912 15.1912 15.6637 15.6637 16.1387 16.1387 16.1923 16.1923 17.2448 17.2448 18.1305 18.1305 k = 0.3122 0.6450 0.4629 ( 4795 PWs) bands (ev): -77.7969 -77.7969 -77.7848 -77.7848 -44.6911 -44.6911 -44.6549 -44.6549 -31.3623 -31.3623 -31.2179 -31.2179 -31.1188 -31.1188 -31.0953 -31.0953 -13.1174 -13.1174 -0.0025 -0.0025 1.4651 1.4651 2.1393 2.1393 2.7340 2.7340 3.3486 3.3486 8.2652 8.2652 8.6871 8.6871 8.8134 8.8134 9.1766 9.1766 9.4070 9.4070 9.7180 9.7180 10.0643 10.0643 11.4304 11.4304 11.7496 11.7496 12.1680 12.1680 12.3896 12.3896 13.2856 13.2856 15.1698 15.1698 15.6499 15.6499 16.1506 16.1506 16.2327 16.2327 17.2022 17.2022 18.1185 18.1185 k = 0.3059 0.6592 0.4783 ( 4797 PWs) bands (ev): -77.7963 -77.7963 -77.7854 -77.7854 -44.6893 -44.6893 -44.6567 -44.6567 -31.3556 -31.3556 -31.2251 -31.2251 -31.1177 -31.1177 -31.0965 -31.0965 -13.1156 -13.1156 -0.0099 -0.0099 1.4751 1.4751 2.1587 2.1587 2.7287 2.7287 3.3482 3.3482 8.3055 8.3055 8.6994 8.6994 8.7794 8.7794 9.2093 9.2093 9.4051 9.4051 9.6991 9.6991 10.1333 10.1333 11.3810 11.3810 11.7020 11.7020 12.0851 12.0851 12.3563 12.3563 13.2362 13.2362 15.1388 15.1388 15.6379 15.6379 16.1651 16.1651 16.2870 16.2870 17.1556 17.1556 18.1082 18.1082 k = 0.2997 0.6733 0.4938 ( 4795 PWs) bands (ev): -77.7957 -77.7957 -77.7860 -77.7860 -44.6876 -44.6876 -44.6585 -44.6585 -31.3487 -31.3487 -31.2323 -31.2323 -31.1166 -31.1166 -31.0977 -31.0977 -13.1139 -13.1139 -0.0170 -0.0170 1.4838 1.4838 2.1800 2.1800 2.7237 2.7237 3.3450 3.3450 8.3482 8.3482 8.6653 8.6653 8.7908 8.7908 9.2337 9.2337 9.4080 9.4080 9.6824 9.6824 10.2050 10.2050 11.3274 11.3274 11.6601 11.6601 12.0038 12.0038 12.3305 12.3305 13.1873 13.1873 15.1006 15.1006 15.6282 15.6282 16.1819 16.1819 16.3525 16.3525 17.1057 17.1057 18.0997 18.0997 k = 0.2934 0.6874 0.5092 ( 4793 PWs) bands (ev): -77.7951 -77.7951 -77.7866 -77.7866 -44.6858 -44.6858 -44.6603 -44.6603 -31.3417 -31.3417 -31.2396 -31.2396 -31.1155 -31.1155 -31.0989 -31.0989 -13.1124 -13.1124 -0.0236 -0.0236 1.4910 1.4910 2.2028 2.2028 2.7195 2.7195 3.3390 3.3390 8.3928 8.3928 8.6121 8.6121 8.8235 8.8235 9.2406 9.2406 9.4231 9.4231 9.6673 9.6673 10.2787 10.2787 11.2702 11.2702 11.6240 11.6240 11.9251 11.9251 12.3119 12.3119 13.1392 13.1392 15.0577 15.0577 15.6208 15.6208 16.2007 16.2007 16.4270 16.4270 17.0529 17.0529 18.0930 18.0930 k = 0.2871 0.7015 0.5246 ( 4791 PWs) bands (ev): -77.7945 -77.7945 -77.7872 -77.7872 -44.6840 -44.6840 -44.6621 -44.6621 -31.3346 -31.3346 -31.2470 -31.2470 -31.1143 -31.1143 -31.1001 -31.1001 -13.1111 -13.1111 -0.0297 -0.0297 1.4969 1.4969 2.2263 2.2263 2.7162 2.7162 3.3299 3.3299 8.4367 8.4367 8.5594 8.5594 8.8612 8.8612 9.2292 9.2292 9.4507 9.4507 9.6529 9.6529 10.3535 10.3535 11.2101 11.2101 11.5940 11.5940 11.8501 11.8501 12.3004 12.3004 13.0922 13.0922 15.0120 15.0120 15.6157 15.6157 16.2210 16.2210 16.5082 16.5082 16.9979 16.9979 18.0882 18.0882 k = 0.2809 0.7156 0.5401 ( 4791 PWs) bands (ev): -77.7939 -77.7939 -77.7878 -77.7878 -44.6822 -44.6822 -44.6639 -44.6639 -31.3274 -31.3274 -31.2543 -31.2543 -31.1132 -31.1132 -31.1013 -31.1013 -13.1099 -13.1099 -0.0352 -0.0352 1.5015 1.5015 2.2501 2.2501 2.7143 2.7143 3.3178 3.3178 8.4612 8.4612 8.5294 8.5294 8.9012 8.9012 9.2053 9.2053 9.4847 9.4847 9.6381 9.6381 10.4291 10.4291 11.1477 11.1477 11.5704 11.5704 11.7798 11.7798 12.2955 12.2955 13.0465 13.0465 14.9650 14.9650 15.6131 15.6131 16.2425 16.2425 16.5946 16.5946 16.9414 16.9414 18.0856 18.0856 k = 0.2746 0.7297 0.5555 ( 4789 PWs) bands (ev): -77.7933 -77.7933 -77.7884 -77.7884 -44.6804 -44.6804 -44.6657 -44.6657 -31.3202 -31.3202 -31.2618 -31.2618 -31.1120 -31.1120 -31.1025 -31.1025 -13.1090 -13.1090 -0.0398 -0.0398 1.5049 1.5049 2.2732 2.2732 2.7144 2.7144 3.3027 3.3027 8.4291 8.4291 8.5604 8.5604 8.9425 8.9425 9.1745 9.1745 9.5195 9.5195 9.6221 9.6221 10.5049 10.5049 11.0835 11.0835 11.5537 11.5537 11.7152 11.7152 12.2970 12.2970 13.0023 13.0023 14.9178 14.9178 15.6128 15.6128 16.2648 16.2648 16.6841 16.6841 16.8849 16.8849 18.0852 18.0852 k = 0.2746 0.7297 0.5555 ( 4789 PWs) bands (ev): -77.7933 -77.7933 -77.7884 -77.7884 -44.6804 -44.6804 -44.6657 -44.6657 -31.3202 -31.3202 -31.2618 -31.2618 -31.1120 -31.1120 -31.1025 -31.1025 -13.1090 -13.1090 -0.0398 -0.0398 1.5049 1.5049 2.2732 2.2732 2.7144 2.7144 3.3027 3.3027 8.4291 8.4291 8.5604 8.5604 8.9425 8.9425 9.1745 9.1745 9.5195 9.5195 9.6221 9.6221 10.5049 10.5049 11.0835 11.0835 11.5537 11.5537 11.7152 11.7152 12.2970 12.2970 13.0023 13.0023 14.9178 14.9178 15.6128 15.6128 16.2648 16.2648 16.6841 16.6841 16.8849 16.8849 18.0852 18.0852 k = 0.2550 0.7257 0.5598 ( 4791 PWs) bands (ev): -77.7931 -77.7931 -77.7886 -77.7886 -44.6798 -44.6798 -44.6663 -44.6663 -31.3182 -31.3182 -31.2639 -31.2639 -31.1117 -31.1117 -31.1029 -31.1029 -13.1088 -13.1088 -0.0410 -0.0410 1.5057 1.5057 2.2798 2.2798 2.7147 2.7147 3.2976 3.2976 8.4139 8.4139 8.5763 8.5763 8.9540 8.9540 9.1654 9.1654 9.5284 9.5284 9.6177 9.6177 10.5263 10.5263 11.0652 11.0652 11.5502 11.5502 11.6983 11.6983 12.2992 12.2992 12.9880 12.9880 14.9083 14.9083 15.6125 15.6125 16.2606 16.2606 16.7182 16.7182 16.8712 16.8712 18.0861 18.0861 k = 0.2354 0.7217 0.5642 ( 4791 PWs) bands (ev): -77.7929 -77.7929 -77.7887 -77.7887 -44.6793 -44.6793 -44.6668 -44.6668 -31.3161 -31.3161 -31.2660 -31.2660 -31.1114 -31.1114 -31.1032 -31.1032 -13.1086 -13.1086 -0.0421 -0.0421 1.5064 1.5064 2.2871 2.2871 2.7149 2.7149 3.2917 3.2917 8.3962 8.3962 8.5956 8.5956 8.9651 8.9651 9.1567 9.1567 9.5356 9.5356 9.6144 9.6144 10.5479 10.5479 11.0467 11.0467 11.5469 11.5469 11.6824 11.6824 12.3034 12.3034 12.9695 12.9695 14.9060 14.9060 15.6114 15.6114 16.2396 16.2396 16.7635 16.7635 16.8633 16.8633 18.0885 18.0885 k = 0.2158 0.7178 0.5685 ( 4793 PWs) bands (ev): -77.7927 -77.7927 -77.7889 -77.7889 -44.6788 -44.6788 -44.6673 -44.6673 -31.3141 -31.3141 -31.2681 -31.2681 -31.1110 -31.1110 -31.1035 -31.1035 -13.1084 -13.1084 -0.0432 -0.0432 1.5070 1.5070 2.2947 2.2947 2.7151 2.7151 3.2853 3.2853 8.3781 8.3781 8.6160 8.6160 8.9754 8.9754 9.1485 9.1485 9.5406 9.5406 9.6128 9.6128 10.5696 10.5696 11.0281 11.0281 11.5439 11.5439 11.6675 11.6675 12.3097 12.3097 12.9471 12.9471 14.9106 14.9106 15.6094 15.6094 16.2079 16.2079 16.8036 16.8036 16.8711 16.8711 18.0921 18.0921 k = 0.1962 0.7138 0.5728 ( 4785 PWs) bands (ev): -77.7926 -77.7926 -77.7891 -77.7891 -44.6783 -44.6783 -44.6678 -44.6678 -31.3120 -31.3120 -31.2702 -31.2702 -31.1107 -31.1107 -31.1039 -31.1039 -13.1082 -13.1082 -0.0442 -0.0442 1.5075 1.5075 2.3027 2.3027 2.7150 2.7150 3.2785 3.2785 8.3607 8.3607 8.6363 8.6363 8.9851 8.9851 9.1410 9.1410 9.5430 9.5430 9.6130 9.6130 10.5915 10.5915 11.0095 11.0095 11.5408 11.5408 11.6539 11.6539 12.3182 12.3182 12.9213 12.9213 14.9215 14.9215 15.6066 15.6066 16.1700 16.1700 16.8181 16.8181 16.9099 16.9099 18.0969 18.0969 k = 0.1765 0.7099 0.5772 ( 4786 PWs) bands (ev): -77.7924 -77.7924 -77.7893 -77.7893 -44.6778 -44.6778 -44.6683 -44.6683 -31.3099 -31.3099 -31.2723 -31.2723 -31.1104 -31.1104 -31.1042 -31.1042 -13.1081 -13.1081 -0.0452 -0.0452 1.5079 1.5079 2.3108 2.3108 2.7149 2.7149 3.2714 3.2714 8.3444 8.3444 8.6559 8.6559 8.9939 8.9939 9.1342 9.1342 9.5429 9.5429 9.6151 9.6151 10.6134 10.6134 10.9906 10.9906 11.5376 11.5376 11.6418 11.6418 12.3287 12.3287 12.8926 12.8926 14.9379 14.9379 15.6034 15.6034 16.1283 16.1283 16.8200 16.8200 16.9636 16.9636 18.1025 18.1025 k = 0.1569 0.7059 0.5815 ( 4788 PWs) bands (ev): -77.7922 -77.7922 -77.7894 -77.7894 -44.6773 -44.6773 -44.6688 -44.6688 -31.3079 -31.3079 -31.2744 -31.2744 -31.1100 -31.1100 -31.1046 -31.1046 -13.1080 -13.1080 -0.0460 -0.0460 1.5083 1.5083 2.3189 2.3189 2.7145 2.7145 3.2645 3.2645 8.3295 8.3295 8.6743 8.6743 9.0016 9.0016 9.1283 9.1283 9.5409 9.5409 9.6187 9.6187 10.6352 10.6352 10.9717 10.9717 11.5341 11.5341 11.6313 11.6313 12.3412 12.3412 12.8618 12.8618 14.9587 14.9587 15.5999 15.5999 16.0848 16.0848 16.8208 16.8208 17.0184 17.0184 18.1087 18.1087 k = 0.1373 0.7019 0.5859 ( 4788 PWs) bands (ev): -77.7920 -77.7920 -77.7896 -77.7896 -44.6768 -44.6768 -44.6694 -44.6694 -31.3058 -31.3058 -31.2765 -31.2765 -31.1097 -31.1097 -31.1049 -31.1049 -13.1078 -13.1078 -0.0468 -0.0468 1.5087 1.5087 2.3268 2.3268 2.7141 2.7141 3.2578 3.2578 8.3161 8.3161 8.6913 8.6913 9.0083 9.0083 9.1233 9.1233 9.5377 9.5377 9.6229 9.6229 10.6571 10.6571 10.9527 10.9527 11.5304 11.5304 11.6225 11.6225 12.3556 12.3556 12.8296 12.8296 14.9829 14.9829 15.5966 15.5966 16.0407 16.0407 16.8224 16.8224 17.0702 17.0702 18.1152 18.1152 k = 0.1177 0.6980 0.5902 ( 4791 PWs) bands (ev): -77.7919 -77.7919 -77.7898 -77.7898 -44.6762 -44.6762 -44.6699 -44.6699 -31.3037 -31.3037 -31.2786 -31.2786 -31.1094 -31.1094 -31.1053 -31.1053 -13.1077 -13.1077 -0.0475 -0.0475 1.5090 1.5090 2.3342 2.3342 2.7135 2.7135 3.2515 3.2515 8.3045 8.3045 8.7066 8.7066 9.0137 9.0137 9.1193 9.1193 9.5339 9.5339 9.6274 9.6274 10.6788 10.6788 10.9336 10.9336 11.5265 11.5265 11.6154 11.6154 12.3718 12.3718 12.7966 12.7966 15.0090 15.0090 15.5938 15.5938 15.9972 15.9972 16.8252 16.8252 17.1172 17.1172 18.1216 18.1216 k = 0.0981 0.6940 0.5945 ( 4794 PWs) bands (ev): -77.7917 -77.7917 -77.7900 -77.7900 -44.6757 -44.6757 -44.6705 -44.6705 -31.3016 -31.3016 -31.2807 -31.2807 -31.1090 -31.1090 -31.1056 -31.1056 -13.1076 -13.1076 -0.0482 -0.0482 1.5092 1.5092 2.3409 2.3409 2.7128 2.7128 3.2458 3.2458 8.2946 8.2946 8.7199 8.7199 9.0180 9.0180 9.1163 9.1163 9.5300 9.5300 9.6316 9.6316 10.7003 10.7003 10.9145 10.9145 11.5225 11.5225 11.6099 11.6099 12.3893 12.3893 12.7640 12.7640 15.0357 15.0357 15.5918 15.5918 15.9555 15.9555 16.8288 16.8288 17.1583 17.1583 18.1276 18.1276 k = 0.0785 0.6900 0.5989 ( 4790 PWs) bands (ev): -77.7915 -77.7915 -77.7901 -77.7901 -44.6752 -44.6752 -44.6710 -44.6710 -31.2995 -31.2995 -31.2828 -31.2828 -31.1087 -31.1087 -31.1060 -31.1060 -13.1076 -13.1076 -0.0487 -0.0487 1.5094 1.5094 2.3468 2.3468 2.7121 2.7121 3.2409 3.2409 8.2864 8.2864 8.7312 8.7312 9.0211 9.0211 9.1142 9.1142 9.5263 9.5263 9.6354 9.6354 10.7214 10.7214 10.8954 10.8954 11.5188 11.5188 11.6058 11.6058 12.4076 12.4076 12.7326 12.7326 15.0613 15.0613 15.5909 15.5909 15.9170 15.9170 16.8327 16.8327 17.1928 17.1928 18.1330 18.1330 k = 0.0588 0.6861 0.6032 ( 4793 PWs) bands (ev): -77.7913 -77.7913 -77.7903 -77.7903 -44.6747 -44.6747 -44.6715 -44.6715 -31.2974 -31.2974 -31.2849 -31.2849 -31.1083 -31.1083 -31.1063 -31.1063 -13.1075 -13.1075 -0.0491 -0.0491 1.5095 1.5095 2.3516 2.3516 2.7115 2.7115 3.2370 3.2370 8.2801 8.2801 8.7401 8.7401 9.0232 9.0232 9.1129 9.1129 9.5233 9.5233 9.6385 9.6385 10.7420 10.7420 10.8764 10.8764 11.5155 11.5155 11.6029 11.6029 12.4258 12.4258 12.7039 12.7039 15.0839 15.0839 15.5912 15.5912 15.8834 15.8834 16.8364 16.8364 17.2201 17.2201 18.1374 18.1374 k = 0.0392 0.6821 0.6075 ( 4792 PWs) bands (ev): -77.7912 -77.7912 -77.7905 -77.7905 -44.6742 -44.6742 -44.6720 -44.6720 -31.2954 -31.2954 -31.2870 -31.2870 -31.1080 -31.1080 -31.1066 -31.1066 -13.1075 -13.1075 -0.0494 -0.0494 1.5096 1.5096 2.3551 2.3551 2.7110 2.7110 3.2341 3.2341 8.2755 8.2755 8.7466 8.7466 9.0245 9.0245 9.1121 9.1121 9.5209 9.5209 9.6407 9.6407 10.7615 10.7615 10.8582 10.8582 11.5130 11.5130 11.6010 11.6010 12.4421 12.4421 12.6798 12.6798 15.1018 15.1018 15.5923 15.5923 15.8567 15.8567 16.8395 16.8395 17.2399 17.2399 18.1407 18.1407 k = 0.0196 0.6781 0.6119 ( 4794 PWs) bands (ev): -77.7910 -77.7910 -77.7907 -77.7907 -44.6736 -44.6736 -44.6725 -44.6725 -31.2933 -31.2933 -31.2891 -31.2891 -31.1077 -31.1077 -31.1070 -31.1070 -13.1075 -13.1075 -0.0495 -0.0495 1.5097 1.5097 2.3573 2.3573 2.7106 2.7106 3.2323 3.2323 8.2728 8.2728 8.7506 8.7506 9.0252 9.0252 9.1118 9.1118 9.5195 9.5195 9.6421 9.6421 10.7781 10.7781 10.8423 10.8423 11.5114 11.5114 11.5999 11.5999 12.4540 12.4540 12.6631 12.6631 15.1134 15.1134 15.5935 15.5935 15.8394 15.8394 16.8414 16.8414 17.2518 17.2518 18.1427 18.1427 k = 0.0000 0.6742 0.6162 ( 4786 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2912 -31.2912 -31.2912 -31.2912 -31.1073 -31.1073 -31.1073 -31.1073 -13.1074 -13.1074 -0.0496 -0.0496 1.5097 1.5097 2.3581 2.3581 2.7105 2.7105 3.2317 3.2317 8.2719 8.2719 8.7519 8.7519 9.0254 9.0254 9.1117 9.1117 9.5190 9.5190 9.6426 9.6426 10.7859 10.7859 10.8347 10.8347 11.5109 11.5109 11.5996 11.5996 12.4585 12.4585 12.6571 12.6571 15.1173 15.1173 15.5941 15.5941 15.8334 15.8334 16.8421 16.8421 17.2558 17.2558 18.1434 18.1434 k = 0.0000 0.6742 0.6162 ( 4786 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2912 -31.2912 -31.2912 -31.2912 -31.1073 -31.1073 -31.1073 -31.1073 -13.1074 -13.1074 -0.0496 -0.0496 1.5097 1.5097 2.3581 2.3581 2.7105 2.7105 3.2317 3.2317 8.2719 8.2719 8.7519 8.7519 9.0254 9.0254 9.1117 9.1117 9.5190 9.5190 9.6426 9.6426 10.7859 10.7859 10.8347 10.8347 11.5109 11.5109 11.5996 11.5996 12.4585 12.4585 12.6571 12.6571 15.1173 15.1173 15.5941 15.5941 15.8334 15.8334 16.8421 16.8421 17.2558 17.2558 18.1434 18.1434 k = 0.0063 0.6601 0.6316 ( 4788 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2915 -31.2915 -31.2912 -31.2912 -31.1073 -31.1073 -31.1070 -31.1070 -13.1074 -13.1074 -0.0495 -0.0495 1.5100 1.5100 2.3572 2.3572 2.7114 2.7114 3.2317 3.2317 8.2675 8.2675 8.7365 8.7365 9.0363 9.0363 9.1177 9.1177 9.5207 9.5207 9.6451 9.6451 10.7831 10.7831 10.8313 10.8313 11.5151 11.5151 11.6034 11.6034 12.4559 12.4559 12.6575 12.6575 15.1162 15.1162 15.5785 15.5785 15.8467 15.8467 16.8153 16.8153 17.2832 17.2832 18.1485 18.1485 k = 0.0125 0.6460 0.6470 ( 4792 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2921 -31.2921 -31.2915 -31.2915 -31.1070 -31.1070 -31.1064 -31.1064 -13.1071 -13.1071 -0.0491 -0.0491 1.5111 1.5111 2.3544 2.3544 2.7139 2.7139 3.2316 3.2316 8.2547 8.2547 8.6969 8.6969 9.0615 9.0615 9.1363 9.1363 9.5256 9.5256 9.6528 9.6528 10.7744 10.7744 10.8218 10.8218 11.5273 11.5273 11.6145 11.6145 12.4483 12.4483 12.6588 12.6588 15.1124 15.1124 15.5394 15.5394 15.8789 15.8789 16.7511 16.7511 17.3486 17.3486 18.1642 18.1642 k = 0.0187 0.6319 0.6624 ( 4790 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2931 -31.2931 -31.2921 -31.2921 -31.1063 -31.1063 -31.1055 -31.1055 -13.1066 -13.1066 -0.0485 -0.0485 1.5129 1.5129 2.3499 2.3499 2.7180 2.7180 3.2315 3.2315 8.2343 8.2343 8.6433 8.6433 9.0898 9.0898 9.1675 9.1675 9.5330 9.5330 9.6666 9.6666 10.7598 10.7598 10.8078 10.8078 11.5463 11.5463 11.6326 11.6326 12.4359 12.4359 12.6608 12.6608 15.1055 15.1055 15.4882 15.4882 15.9184 15.9184 16.6727 16.6727 17.4281 17.4281 18.1921 18.1921 k = 0.0250 0.6179 0.6778 ( 4786 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2943 -31.2943 -31.2930 -31.2930 -31.1054 -31.1054 -31.1043 -31.1043 -13.1059 -13.1059 -0.0477 -0.0477 1.5153 1.5153 2.3437 2.3437 2.7238 2.7238 3.2313 3.2313 8.2071 8.2071 8.5824 8.5824 9.1170 9.1170 9.2082 9.2082 9.5418 9.5418 9.6872 9.6872 10.7392 10.7392 10.7915 10.7915 11.5705 11.5705 11.6567 11.6567 12.4192 12.4192 12.6636 12.6636 15.0944 15.0944 15.4316 15.4316 15.9583 15.9583 16.5932 16.5932 17.5072 17.5072 18.2340 18.2340 k = 0.0312 0.6038 0.6932 ( 4788 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2958 -31.2958 -31.2942 -31.2942 -31.1042 -31.1042 -31.1029 -31.1029 -13.1050 -13.1050 -0.0467 -0.0467 1.5184 1.5184 2.3359 2.3359 2.7311 2.7311 3.2311 3.2311 8.1745 8.1745 8.5174 8.5174 9.1432 9.1432 9.2538 9.2538 9.5514 9.5514 9.7153 9.7153 10.7136 10.7136 10.7741 10.7741 11.5980 11.5980 11.6860 11.6860 12.3987 12.3987 12.6669 12.6669 15.0775 15.0775 15.3731 15.3731 15.9945 15.9945 16.5198 16.5198 17.5782 17.5782 18.2914 18.2914 k = 0.0375 0.5897 0.7086 ( 4782 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6731 -44.6731 -44.6731 -44.6731 -31.2975 -31.2975 -31.2957 -31.2957 -31.1027 -31.1027 -31.1012 -31.1012 -13.1040 -13.1040 -0.0456 -0.0456 1.5222 1.5222 2.3265 2.3265 2.7400 2.7400 3.2308 3.2308 8.1373 8.1373 8.4501 8.4501 9.1689 9.1689 9.3015 9.3015 9.5613 9.5613 9.7507 9.7507 10.6842 10.6842 10.7566 10.7566 11.6273 11.6273 11.7192 11.7192 12.3752 12.3752 12.6708 12.6708 15.0532 15.0532 15.3146 15.3146 16.0243 16.0243 16.4572 16.4572 17.6374 17.6374 18.3644 18.3644 k = 0.0437 0.5756 0.7240 ( 4784 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6732 -44.6732 -44.6731 -44.6731 -31.2994 -31.2994 -31.2974 -31.2974 -31.1010 -31.1010 -31.0993 -31.0993 -13.1027 -13.1027 -0.0442 -0.0442 1.5266 1.5266 2.3158 2.3158 2.7503 2.7503 3.2304 3.2304 8.0967 8.0967 8.3815 8.3815 9.1938 9.1938 9.3499 9.3499 9.5717 9.5717 9.7927 9.7927 10.6525 10.6525 10.7392 10.7392 11.6567 11.6567 11.7551 11.7551 12.3497 12.3497 12.6749 12.6749 15.0199 15.0199 15.2576 15.2576 16.0455 16.0455 16.4089 16.4089 17.6842 17.6842 18.4502 18.4502 k = 0.0500 0.5615 0.7394 ( 4786 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6732 -44.6732 -44.6731 -44.6731 -31.3016 -31.3016 -31.2993 -31.2993 -31.0990 -31.0990 -31.0972 -31.0972 -13.1013 -13.1013 -0.0428 -0.0428 1.5316 1.5316 2.3039 2.3039 2.7621 2.7621 3.2300 3.2300 8.0533 8.0533 8.3122 8.3122 9.2177 9.2177 9.3986 9.3986 9.5831 9.5831 9.8401 9.8401 10.6199 10.6199 10.7224 10.7224 11.6847 11.6847 11.7927 11.7927 12.3236 12.3236 12.6794 12.6794 14.9770 14.9770 15.2024 15.2024 16.0569 16.0569 16.3766 16.3766 17.7202 17.7202 18.5427 18.5427 k = 0.0563 0.5475 0.7549 ( 4790 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6733 -44.6733 -44.6732 -44.6732 -31.3039 -31.3039 -31.3015 -31.3015 -31.0969 -31.0969 -31.0949 -31.0949 -13.0998 -13.0998 -0.0413 -0.0413 1.5372 1.5372 2.2908 2.2908 2.7752 2.7752 3.2295 3.2295 8.0079 8.0079 8.2428 8.2428 9.2403 9.2403 9.4468 9.4468 9.5963 9.5963 9.8915 9.8915 10.5874 10.5874 10.7066 10.7066 11.7092 11.7092 11.8306 11.8306 12.2985 12.2985 12.6841 12.6841 14.9250 14.9250 15.1485 15.1485 16.0600 16.0600 16.3588 16.3588 17.7480 17.7480 18.6146 18.6146 k = 0.0625 0.5334 0.7703 ( 4794 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6733 -44.6733 -44.6732 -44.6732 -31.3064 -31.3064 -31.3038 -31.3038 -31.0945 -31.0945 -31.0924 -31.0924 -13.0981 -13.0981 -0.0396 -0.0396 1.5433 1.5433 2.2769 2.2769 2.7896 2.7896 3.2289 3.2289 7.9610 7.9610 8.1735 8.1735 9.2614 9.2614 9.4935 9.4935 9.6124 9.6124 9.9457 9.9457 10.5558 10.5558 10.6921 10.6921 11.7284 11.7284 11.8682 11.8682 12.2761 12.2761 12.6890 12.6890 14.8655 14.8655 15.0945 15.0945 16.0580 16.0580 16.3516 16.3516 17.7704 17.7704 18.6188 18.6188 k = 0.0688 0.5193 0.7857 ( 4792 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6733 -44.6733 -44.6732 -44.6732 -31.3090 -31.3090 -31.3063 -31.3063 -31.0921 -31.0921 -31.0899 -31.0899 -13.0962 -13.0962 -0.0380 -0.0380 1.5499 1.5499 2.2623 2.2623 2.8053 2.8053 3.2281 3.2281 7.9129 7.9129 8.1047 8.1047 9.2812 9.2812 9.5368 9.5368 9.6335 9.6335 10.0015 10.0015 10.5261 10.5261 10.6793 10.6793 11.7399 11.7399 11.9044 11.9044 12.2585 12.2585 12.6942 12.6942 14.8006 14.8006 15.0394 15.0394 16.0544 16.0544 16.3499 16.3499 17.7896 17.7896 18.6032 18.6032 k = 0.0750 0.5052 0.8011 ( 4800 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6734 -44.6734 -44.6733 -44.6733 -31.3117 -31.3117 -31.3089 -31.3089 -31.0895 -31.0895 -31.0872 -31.0872 -13.0943 -13.0943 -0.0364 -0.0364 1.5569 1.5569 2.2471 2.2471 2.8221 2.8221 3.2272 3.2272 7.8641 7.8641 8.0366 8.0366 9.2997 9.2997 9.5741 9.5741 9.6619 9.6619 10.0576 10.0576 10.4986 10.4986 10.6687 10.6687 11.7420 11.7420 11.9385 11.9385 12.2474 12.2474 12.6999 12.6999 14.7320 14.7320 14.9828 14.9828 16.0511 16.0511 16.3499 16.3499 17.8079 17.8079 18.5834 18.5834 k = 0.0813 0.4911 0.8165 ( 4790 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6734 -44.6734 -44.6733 -44.6733 -31.3145 -31.3145 -31.3115 -31.3115 -31.0868 -31.0868 -31.0845 -31.0845 -13.0922 -13.0922 -0.0349 -0.0349 1.5643 1.5643 2.2315 2.2315 2.8400 2.8400 3.2262 3.2262 7.8150 7.8150 7.9694 7.9694 9.3172 9.3172 9.6042 9.6042 9.6985 9.6985 10.1132 10.1132 10.4744 10.4744 10.6609 10.6609 11.7337 11.7337 11.9696 11.9696 12.2438 12.2438 12.7063 12.7063 14.6612 14.6612 14.9246 14.9246 16.0481 16.0481 16.3493 16.3493 17.8272 17.8272 18.5634 18.5634 k = 0.0875 0.4771 0.8319 ( 4792 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6735 -44.6735 -44.6733 -44.6733 -31.3173 -31.3173 -31.3143 -31.3143 -31.0841 -31.0841 -31.0817 -31.0817 -13.0899 -13.0899 -0.0334 -0.0334 1.5719 1.5719 2.2159 2.2159 2.8588 2.8588 3.2249 3.2249 7.7656 7.7656 7.9033 7.9033 9.3337 9.3337 9.6291 9.6291 9.7405 9.7405 10.1669 10.1669 10.4540 10.4540 10.6562 10.6562 11.7153 11.7153 11.9970 11.9970 12.2473 12.2473 12.7137 12.7137 14.5891 14.5891 14.8652 14.8652 16.0447 16.0447 16.3467 16.3467 17.8494 17.8494 18.5455 18.5455 k = 0.0938 0.4630 0.8473 ( 4794 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6735 -44.6735 -44.6734 -44.6734 -31.3202 -31.3202 -31.3171 -31.3171 -31.0813 -31.0813 -31.0789 -31.0789 -13.0877 -13.0877 -0.0320 -0.0320 1.5799 1.5799 2.2003 2.2003 2.8786 2.8786 3.2234 3.2234 7.7163 7.7163 7.8385 7.8385 9.3497 9.3497 9.6513 9.6513 9.7848 9.7848 10.2174 10.2174 10.4385 10.4385 10.6552 10.6552 11.6884 11.6884 12.0196 12.0196 12.2569 12.2569 12.7222 12.7222 14.5164 14.5164 14.8052 14.8052 16.0395 16.0395 16.3415 16.3415 17.8764 17.8764 18.5311 18.5311 k = 0.1000 0.4489 0.8627 ( 4802 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6736 -44.6736 -44.6735 -44.6735 -31.3231 -31.3231 -31.3200 -31.3200 -31.0784 -31.0784 -31.0760 -31.0760 -13.0853 -13.0853 -0.0309 -0.0309 1.5879 1.5879 2.1850 2.1850 2.8991 2.8991 3.2217 3.2217 7.6672 7.6672 7.7750 7.7750 9.3652 9.3652 9.6724 9.6724 9.8291 9.8291 10.2625 10.2625 10.4296 10.4296 10.6585 10.6585 11.6549 11.6549 12.0366 12.0366 12.2712 12.2712 12.7321 12.7321 14.4437 14.4437 14.7450 14.7450 16.0314 16.0314 16.3334 16.3334 17.9098 17.9098 18.5211 18.5211 k = 0.1062 0.4348 0.8781 ( 4804 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6736 -44.6736 -44.6735 -44.6735 -31.3260 -31.3260 -31.3229 -31.3229 -31.0756 -31.0756 -31.0732 -31.0732 -13.0828 -13.0828 -0.0299 -0.0299 1.5961 1.5961 2.1701 2.1701 2.9204 2.9204 3.2197 3.2197 7.6186 7.6186 7.7131 7.7131 9.3807 9.3807 9.6927 9.6927 9.8720 9.8720 10.2992 10.2992 10.4299 10.4299 10.6667 10.6667 11.6167 11.6167 12.0474 12.0474 12.2890 12.2890 12.7436 12.7436 14.3713 14.3713 14.6848 14.6848 16.0198 16.0198 16.3220 16.3220 17.9513 17.9513 18.5159 18.5159 k = 0.1125 0.4207 0.8935 ( 4804 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6737 -44.6737 -44.6735 -44.6735 -31.3289 -31.3289 -31.3258 -31.3258 -31.0727 -31.0727 -31.0703 -31.0703 -13.0804 -13.0804 -0.0291 -0.0291 1.6042 1.6042 2.1559 2.1559 2.9422 2.9422 3.2174 3.2174 7.5706 7.5706 7.6529 7.6529 9.3962 9.3962 9.7122 9.7122 9.9127 9.9127 10.3243 10.3243 10.4424 10.4424 10.6799 10.6799 11.5758 11.5758 12.0518 12.0518 12.3089 12.3089 12.7565 12.7565 14.2995 14.2995 14.6247 14.6247 16.0044 16.0044 16.3070 16.3070 18.0020 18.0020 18.5157 18.5157 k = 0.1187 0.4067 0.9089 ( 4808 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6738 -44.6738 -44.6736 -44.6736 -31.3317 -31.3317 -31.3286 -31.3286 -31.0699 -31.0699 -31.0676 -31.0676 -13.0778 -13.0778 -0.0286 -0.0286 1.6122 1.6122 2.1425 2.1425 2.9644 2.9644 3.2148 3.2148 7.5233 7.5233 7.5945 7.5945 9.4121 9.4121 9.7307 9.7307 9.9509 9.9509 10.3383 10.3383 10.4660 10.4660 10.6979 10.6979 11.5335 11.5335 12.0503 12.0503 12.3301 12.3301 12.7705 12.7705 14.2283 14.2283 14.5647 14.5647 15.9859 15.9859 16.2883 16.2883 18.0627 18.0627 18.5204 18.5204 k = 0.1250 0.3926 0.9243 ( 4812 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6738 -44.6738 -44.6737 -44.6737 -31.3345 -31.3345 -31.3315 -31.3315 -31.0671 -31.0671 -31.0648 -31.0648 -13.0753 -13.0753 -0.0283 -0.0283 1.6200 1.6200 2.1302 2.1302 2.9870 2.9870 3.2119 3.2119 7.4769 7.4769 7.5381 7.5381 9.4285 9.4285 9.7480 9.7480 9.9865 9.9865 10.3462 10.3462 10.4961 10.4961 10.7197 10.7197 11.4912 11.4912 12.0436 12.0436 12.3518 12.3518 12.7854 12.7854 14.1578 14.1578 14.5045 14.5045 15.9650 15.9650 16.2660 16.2660 18.1334 18.1334 18.5300 18.5300 k = 0.1313 0.3785 0.9397 ( 4812 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6739 -44.6739 -44.6737 -44.6737 -31.3372 -31.3372 -31.3342 -31.3342 -31.0644 -31.0644 -31.0621 -31.0621 -13.0728 -13.0728 -0.0283 -0.0283 1.6275 1.6275 2.1190 2.1190 3.0098 3.0098 3.2087 3.2087 7.4316 7.4316 7.4837 7.4837 9.4457 9.4457 9.7637 9.7637 10.0197 10.0197 10.3519 10.3519 10.5287 10.5287 10.7440 10.7440 11.4500 11.4500 12.0328 12.0328 12.3734 12.3734 12.8008 12.8008 14.0881 14.0881 14.4438 14.4438 15.9427 15.9427 16.2406 16.2406 18.2137 18.2137 18.5445 18.5445 k = 0.1375 0.3644 0.9551 ( 4810 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6739 -44.6739 -44.6737 -44.6737 -31.3398 -31.3398 -31.3369 -31.3369 -31.0617 -31.0617 -31.0595 -31.0595 -13.0702 -13.0702 -0.0285 -0.0285 1.6346 1.6346 2.1090 2.1090 3.0326 3.0326 3.2052 3.2052 7.3874 7.3874 7.4316 7.4316 9.4636 9.4636 9.7778 9.7778 10.0507 10.0507 10.3570 10.3570 10.5623 10.5623 10.7689 10.7689 11.4110 11.4110 12.0193 12.0193 12.3947 12.3947 12.8161 12.8161 14.0191 14.0191 14.3822 14.3822 15.9200 15.9200 16.2126 16.2126 18.3020 18.3020 18.5642 18.5642 k = 0.1437 0.3503 0.9705 ( 4812 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6739 -44.6739 -44.6738 -44.6738 -31.3424 -31.3424 -31.3396 -31.3396 -31.0591 -31.0591 -31.0570 -31.0570 -13.0677 -13.0677 -0.0291 -0.0291 1.6413 1.6413 2.1005 2.1005 3.0552 3.0552 3.2015 3.2015 7.3445 7.3445 7.3817 7.3817 9.4824 9.4824 9.7904 9.7904 10.0801 10.0801 10.3623 10.3623 10.5956 10.5956 10.7926 10.7926 11.3752 11.3752 12.0044 12.0044 12.4155 12.4155 12.8309 12.8309 13.9508 13.9508 14.3192 14.3192 15.8980 15.8980 16.1830 16.1830 18.3953 18.3953 18.5908 18.5908 k = 0.1500 0.3363 0.9859 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6740 -44.6740 -44.6739 -44.6739 -31.3448 -31.3448 -31.3421 -31.3421 -31.0566 -31.0566 -31.0546 -31.0546 -13.0653 -13.0653 -0.0298 -0.0298 1.6473 1.6473 2.0934 2.0934 3.0775 3.0775 3.1976 3.1976 7.3031 7.3031 7.3342 7.3342 9.5021 9.5021 9.8015 9.8015 10.1080 10.1080 10.3679 10.3679 10.6278 10.6278 10.8135 10.8135 11.3435 11.3435 11.9896 11.9896 12.4359 12.4359 12.8449 12.8449 13.8831 13.8831 14.2545 14.2545 15.8773 15.8773 16.1526 16.1526 18.4865 18.4865 18.6294 18.6294 k = 0.1562 0.3222 1.0013 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6741 -44.6741 -44.6739 -44.6739 -31.3472 -31.3472 -31.3446 -31.3446 -31.0542 -31.0542 -31.0523 -31.0523 -13.0629 -13.0629 -0.0309 -0.0309 1.6528 1.6528 2.0877 2.0877 3.0992 3.0992 3.1937 3.1937 7.2632 7.2632 7.2893 7.2893 9.5228 9.5228 9.8114 9.8114 10.1346 10.1346 10.3740 10.3740 10.6576 10.6576 10.8306 10.8306 11.3167 11.3167 11.9766 11.9766 12.4561 12.4561 12.8579 12.8579 13.8160 13.8160 14.1877 14.1877 15.8587 15.8587 16.1225 16.1225 18.5612 18.5612 18.6920 18.6920 k = 0.1625 0.3081 1.0167 ( 4814 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6741 -44.6741 -44.6739 -44.6739 -31.3494 -31.3494 -31.3469 -31.3469 -31.0519 -31.0519 -31.0500 -31.0500 -13.0605 -13.0605 -0.0321 -0.0321 1.6577 1.6577 2.0835 2.0835 3.1198 3.1198 3.1901 3.1901 7.2250 7.2250 7.2469 7.2469 9.5443 9.5443 9.8205 9.8205 10.1598 10.1598 10.3808 10.3808 10.6832 10.6832 10.8436 10.8436 11.2953 11.2953 11.9667 11.9667 12.4764 12.4764 12.8695 12.8695 13.7496 13.7496 14.1187 14.1187 15.8426 15.8426 16.0933 16.0933 18.6128 18.6128 18.7824 18.7824 k = 0.1688 0.2940 1.0321 ( 4822 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6741 -44.6741 -44.6740 -44.6740 -31.3515 -31.3515 -31.3491 -31.3491 -31.0497 -31.0497 -31.0480 -31.0480 -13.0583 -13.0583 -0.0335 -0.0335 1.6619 1.6619 2.0807 2.0807 3.1383 3.1383 3.1878 3.1878 7.1885 7.1885 7.2073 7.2073 9.5664 9.5664 9.8289 9.8289 10.1836 10.1836 10.3881 10.3881 10.7030 10.7030 10.8528 10.8528 11.2793 11.2793 11.9615 11.9615 12.4973 12.4973 12.8797 12.8797 13.6837 13.6837 14.0473 14.0473 15.8293 15.8293 16.0657 16.0657 18.6530 18.6530 18.8849 18.8849 k = 0.1750 0.2799 1.0475 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6742 -44.6742 -44.6740 -44.6740 -31.3534 -31.3534 -31.3512 -31.3512 -31.0476 -31.0476 -31.0460 -31.0460 -13.0562 -13.0562 -0.0351 -0.0351 1.6655 1.6655 2.0791 2.0791 3.1523 3.1523 3.1891 3.1891 7.1540 7.1540 7.1705 7.1705 9.5892 9.5892 9.8369 9.8369 10.2057 10.2057 10.3961 10.3961 10.7154 10.7154 10.8592 10.8592 11.2683 11.2683 11.9621 11.9621 12.5190 12.5190 12.8885 12.8885 13.6185 13.6185 13.9737 13.9737 15.8188 15.8188 16.0402 16.0402 18.6901 18.6901 18.9789 18.9789 k = 0.1812 0.2659 1.0630 ( 4816 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6742 -44.6742 -44.6741 -44.6741 -31.3553 -31.3553 -31.3532 -31.3532 -31.0457 -31.0457 -31.0442 -31.0442 -13.0542 -13.0542 -0.0368 -0.0368 1.6684 1.6684 2.0787 2.0787 3.1580 3.1580 3.1976 3.1976 7.1216 7.1216 7.1364 7.1364 9.6124 9.6124 9.8448 9.8448 10.2262 10.2262 10.4045 10.4045 10.7200 10.7200 10.8636 10.8636 11.2612 11.2612 11.9694 11.9694 12.5420 12.5420 12.8958 12.8958 13.5541 13.5541 13.8982 13.8982 15.8112 15.8112 16.0170 16.0170 18.7270 18.7270 19.0184 19.0184 k = 0.1875 0.2518 1.0784 ( 4814 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6742 -44.6742 -44.6741 -44.6741 -31.3569 -31.3569 -31.3550 -31.3550 -31.0439 -31.0439 -31.0425 -31.0425 -13.0523 -13.0523 -0.0385 -0.0385 1.6709 1.6709 2.0793 2.0793 3.1573 3.1573 3.2114 3.2114 7.0914 7.0914 7.1052 7.1052 9.6358 9.6358 9.8524 9.8524 10.2449 10.2449 10.4130 10.4130 10.7176 10.7176 10.8662 10.8662 11.2569 11.2569 11.9841 11.9841 12.5665 12.5665 12.9018 12.9018 13.4904 13.4904 13.8214 13.8214 15.8062 15.8062 15.9962 15.9962 18.7647 18.7647 19.0390 19.0390 k = 0.1938 0.2377 1.0938 ( 4818 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6742 -44.6742 -44.6742 -44.6742 -31.3585 -31.3585 -31.3567 -31.3567 -31.0423 -31.0423 -31.0410 -31.0410 -13.0505 -13.0505 -0.0403 -0.0403 1.6728 1.6728 2.0807 2.0807 3.1541 3.1541 3.2266 3.2266 7.0636 7.0636 7.0769 7.0769 9.6590 9.6590 9.8597 9.8597 10.2620 10.2620 10.4211 10.4211 10.7102 10.7102 10.8665 10.8665 11.2544 11.2544 12.0062 12.0062 12.5927 12.5927 12.9063 12.9063 13.4279 13.4279 13.7437 13.7437 15.8037 15.8037 15.9778 15.9778 18.8034 18.8034 19.0592 19.0592 k = 0.2000 0.2236 1.1092 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6742 -44.6742 -31.3598 -31.3598 -31.3582 -31.3582 -31.0408 -31.0408 -31.0396 -31.0396 -13.0489 -13.0489 -0.0420 -0.0420 1.6743 1.6743 2.0826 2.0826 3.1501 3.1501 3.2414 3.2414 7.0384 7.0384 7.0514 7.0514 9.6819 9.6819 9.8668 9.8668 10.2775 10.2775 10.4284 10.4284 10.7000 10.7000 10.8639 10.8639 11.2529 11.2529 12.0353 12.0353 12.6205 12.6205 12.9096 12.9096 13.3669 13.3669 13.6661 13.6661 15.8032 15.8032 15.9617 15.9617 18.8433 18.8433 19.0803 19.0803 k = 0.2062 0.2095 1.1246 ( 4824 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6742 -44.6742 -31.3610 -31.3610 -31.3596 -31.3596 -31.0395 -31.0395 -31.0384 -31.0384 -13.0475 -13.0475 -0.0437 -0.0437 1.6754 1.6754 2.0850 2.0850 3.1460 3.1460 3.2552 3.2552 7.0159 7.0159 7.0287 7.0287 9.7040 9.7040 9.8733 9.8733 10.2916 10.2916 10.4342 10.4342 10.6891 10.6891 10.8585 10.8585 11.2518 11.2518 12.0706 12.0706 12.6494 12.6494 12.9119 12.9119 13.3081 13.3081 13.5893 13.5893 15.8044 15.8044 15.9477 15.9477 18.8844 18.8844 19.1026 19.1026 k = 0.2125 0.1955 1.1400 ( 4816 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6742 -44.6742 -31.3621 -31.3621 -31.3608 -31.3608 -31.0383 -31.0383 -31.0374 -31.0374 -13.0463 -13.0463 -0.0452 -0.0452 1.6763 1.6763 2.0875 2.0875 3.1420 3.1420 3.2675 3.2675 6.9963 6.9963 7.0090 7.0090 9.7250 9.7250 9.8791 9.8791 10.3044 10.3044 10.4381 10.4381 10.6790 10.6790 10.8507 10.8507 11.2507 11.2507 12.1108 12.1108 12.6787 12.6787 12.9133 12.9133 13.2527 13.2527 13.5142 13.5142 15.8070 15.8070 15.9356 15.9356 18.9266 18.9266 19.1257 19.1257 k = 0.2188 0.1814 1.1554 ( 4816 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6743 -44.6743 -31.3629 -31.3629 -31.3618 -31.3618 -31.0373 -31.0373 -31.0365 -31.0365 -13.0452 -13.0452 -0.0466 -0.0466 1.6769 1.6769 2.0899 2.0899 3.1384 3.1384 3.2782 3.2782 6.9795 6.9795 6.9922 6.9922 9.7444 9.7444 9.8839 9.8839 10.3161 10.3161 10.4400 10.4400 10.6707 10.6707 10.8414 10.8414 11.2496 11.2496 12.1542 12.1542 12.7068 12.7068 12.9142 12.9142 13.2026 13.2026 13.4420 13.4420 15.8104 15.8104 15.9253 15.9253 18.9698 18.9698 19.1492 19.1492 k = 0.2250 0.1673 1.1708 ( 4824 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3636 -31.3636 -31.3627 -31.3627 -31.0365 -31.0365 -31.0358 -31.0358 -13.0443 -13.0443 -0.0478 -0.0478 1.6774 1.6774 2.0922 2.0922 3.1353 3.1353 3.2871 3.2871 6.9658 6.9658 6.9783 6.9783 9.7617 9.7617 9.8875 9.8875 10.3264 10.3264 10.4399 10.4399 10.6647 10.6647 10.8315 10.8315 11.2483 11.2483 12.1984 12.1984 12.7310 12.7310 12.9155 12.9155 13.1606 13.1606 13.3737 13.3737 15.8142 15.8142 15.9167 15.9167 19.0138 19.0138 19.1724 19.1724 k = 0.2313 0.1532 1.1862 ( 4822 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3642 -31.3642 -31.3634 -31.3634 -31.0358 -31.0358 -31.0352 -31.0352 -13.0436 -13.0436 -0.0488 -0.0488 1.6777 1.6777 2.0942 2.0942 3.1327 3.1327 3.2941 3.2941 6.9550 6.9550 6.9675 6.9675 9.7763 9.7763 9.8900 9.8900 10.3352 10.3352 10.4383 10.4383 10.6609 10.6609 10.8221 10.8221 11.2471 11.2471 12.2403 12.2403 12.7482 12.7482 12.9185 12.9185 13.1302 13.1302 13.3107 13.3107 15.8181 15.8181 15.9097 15.9097 19.0580 19.0580 19.1936 19.1936 k = 0.2375 0.1391 1.2016 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3646 -31.3646 -31.3639 -31.3639 -31.0354 -31.0354 -31.0348 -31.0348 -13.0431 -13.0431 -0.0495 -0.0495 1.6779 1.6779 2.0957 2.0957 3.1308 3.1308 3.2992 3.2992 6.9473 6.9473 6.9597 6.9597 9.7876 9.7876 9.8914 9.8914 10.3421 10.3421 10.4362 10.4362 10.6589 10.6589 10.8144 10.8144 11.2461 11.2461 12.2760 12.2760 12.7563 12.7563 12.9237 12.9237 13.1146 13.1146 13.2552 13.2552 15.8213 15.8213 15.9045 15.9045 19.1016 19.1016 19.2086 19.2086 k = 0.2437 0.1251 1.2170 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3648 -31.3648 -31.3642 -31.3642 -31.0351 -31.0351 -31.0346 -31.0346 -13.0428 -13.0428 -0.0499 -0.0499 1.6780 1.6780 2.0966 2.0966 3.1297 3.1297 3.3023 3.3023 6.9427 6.9427 6.9550 6.9550 9.7948 9.7948 9.8921 9.8921 10.3466 10.3466 10.4344 10.4344 10.6580 10.6580 10.8092 10.8092 11.2454 11.2454 12.3005 12.3005 12.7575 12.7575 12.9289 12.9289 13.1138 13.1138 13.2117 13.2117 15.8236 15.8236 15.9012 15.9012 19.1421 19.1421 19.2087 19.2087 k = 0.2500 0.1110 1.2324 ( 4816 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6743 -44.6743 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0969 2.0969 3.1293 3.1293 3.3033 3.3033 6.9412 6.9412 6.9535 6.9535 9.7972 9.7972 9.8922 9.8922 10.3482 10.3482 10.4337 10.4337 10.6578 10.6578 10.8074 10.8074 11.2452 11.2452 12.3093 12.3093 12.7571 12.7571 12.9311 12.9311 13.1178 13.1178 13.1928 13.1928 15.8244 15.8244 15.9001 15.9001 19.1667 19.1667 19.1978 19.1978 k = 0.2500 0.1110 1.2324 ( 4816 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6743 -44.6743 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0969 2.0969 3.1293 3.1293 3.3033 3.3033 6.9412 6.9412 6.9535 6.9535 9.7972 9.7972 9.8922 9.8922 10.3482 10.3482 10.4337 10.4337 10.6578 10.6578 10.8074 10.8074 11.2452 11.2452 12.3093 12.3093 12.7571 12.7571 12.9311 12.9311 13.1178 13.1178 13.1928 13.1928 15.8244 15.8244 15.9001 15.9001 19.1667 19.1667 19.1978 19.1978 k = 0.2679 0.1189 1.2237 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0969 2.0969 3.1293 3.1293 3.3032 3.3032 6.9326 6.9326 6.9627 6.9627 9.7954 9.7954 9.8939 9.8939 10.3450 10.3450 10.4363 10.4363 10.6573 10.6573 10.8088 10.8088 11.2446 11.2446 12.3084 12.3084 12.7512 12.7512 12.9336 12.9336 13.1138 13.1138 13.2023 13.2023 15.8235 15.8235 15.9006 15.9006 19.1490 19.1490 19.1916 19.1916 k = 0.2857 0.1268 1.2151 ( 4820 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3642 -31.3642 -31.0350 -31.0350 -31.0346 -31.0346 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0967 2.0967 3.1295 3.1295 3.3026 3.3026 6.9215 6.9215 6.9756 6.9756 9.7903 9.7903 9.8985 9.8985 10.3370 10.3370 10.4431 10.4431 10.6561 10.6561 10.8128 10.8128 11.2430 11.2430 12.3068 12.3068 12.7333 12.7333 12.9411 12.9411 13.1066 13.1066 13.2247 13.2247 15.8207 15.8207 15.9026 15.9026 19.1021 19.1021 19.1810 19.1810 k = 0.3036 0.1347 1.2064 ( 4824 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3640 -31.3640 -31.0351 -31.0351 -31.0347 -31.0347 -13.0428 -13.0428 -0.0498 -0.0498 1.6780 1.6780 2.0965 2.0965 3.1299 3.1299 3.3016 3.3016 6.9109 6.9109 6.9895 6.9895 9.7830 9.7830 9.9047 9.9047 10.3260 10.3260 10.4519 10.4519 10.6548 10.6548 10.8189 10.8189 11.2403 11.2403 12.3053 12.3053 12.7061 12.7061 12.9518 12.9518 13.1009 13.1009 13.2536 13.2536 15.8164 15.8164 15.9057 15.9057 19.0466 19.0466 19.1673 19.1673 k = 0.3214 0.1427 1.1977 ( 4824 PWs) bands (ev): -77.7908 -77.7908 -77.7907 -77.7907 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3638 -31.3638 -31.0351 -31.0351 -31.0348 -31.0348 -13.0429 -13.0429 -0.0497 -0.0497 1.6780 1.6780 2.0962 2.0962 3.1304 3.1304 3.3001 3.3001 6.9012 6.9012 7.0038 7.0038 9.7745 9.7745 9.9114 9.9114 10.3135 10.3135 10.4610 10.4610 10.6539 10.6539 10.8264 10.8264 11.2367 11.2367 12.3046 12.3046 12.6736 12.6736 12.9634 12.9634 13.0975 13.0975 13.2856 13.2856 15.8111 15.8111 15.9094 15.9094 18.9922 18.9922 19.1519 19.1519 k = 0.3393 0.1506 1.1890 ( 4826 PWs) bands (ev): -77.7909 -77.7909 -77.7907 -77.7907 -44.6745 -44.6745 -44.6743 -44.6743 -31.3650 -31.3650 -31.3635 -31.3635 -31.0352 -31.0352 -31.0350 -31.0350 -13.0431 -13.0431 -0.0495 -0.0495 1.6781 1.6781 2.0958 2.0958 3.1312 3.1312 3.2979 3.2979 6.8927 6.8927 7.0185 7.0185 9.7654 9.7654 9.9175 9.9175 10.3004 10.3004 10.4696 10.4696 10.6542 10.6542 10.8350 10.8350 11.2323 11.2323 12.3048 12.3048 12.6387 12.6387 12.9741 12.9741 13.0967 13.0967 13.3188 13.3188 15.8052 15.8052 15.9134 15.9134 18.9428 18.9428 19.1359 19.1359 k = 0.3571 0.1585 1.1804 ( 4828 PWs) bands (ev): -77.7909 -77.7909 -77.7907 -77.7907 -44.6745 -44.6745 -44.6742 -44.6742 -31.3650 -31.3650 -31.3631 -31.3631 -31.0354 -31.0354 -31.0351 -31.0351 -13.0433 -13.0433 -0.0492 -0.0492 1.6781 1.6781 2.0952 2.0952 3.1323 3.1323 3.2951 3.2951 6.8857 6.8857 7.0333 7.0333 9.7563 9.7563 9.9226 9.9226 10.2872 10.2872 10.4771 10.4771 10.6559 10.6559 10.8440 10.8440 11.2274 11.2274 12.3060 12.3060 12.6037 12.6037 12.9832 12.9832 13.0981 13.0981 13.3517 13.3517 15.7991 15.7991 15.9176 15.9176 18.9002 18.9002 19.1200 19.1200 k = 0.3750 0.1665 1.1717 ( 4824 PWs) bands (ev): -77.7909 -77.7909 -77.7907 -77.7907 -44.6746 -44.6746 -44.6741 -44.6741 -31.3651 -31.3651 -31.3627 -31.3627 -31.0357 -31.0357 -31.0352 -31.0352 -13.0435 -13.0435 -0.0489 -0.0489 1.6782 1.6782 2.0946 2.0946 3.1337 3.1337 3.2915 3.2915 6.8802 6.8802 7.0481 7.0481 9.7473 9.7473 9.9262 9.9262 10.2743 10.2743 10.4833 10.4833 10.6594 10.6594 10.8532 10.8532 11.2220 11.2220 12.3079 12.3079 12.5702 12.5702 12.9903 12.9903 13.1016 13.1016 13.3830 13.3830 15.7932 15.7932 15.9216 15.9216 18.8654 18.8654 19.1045 19.1045 k = 0.3929 0.1744 1.1630 ( 4828 PWs) bands (ev): -77.7909 -77.7909 -77.7907 -77.7907 -44.6747 -44.6747 -44.6740 -44.6740 -31.3652 -31.3652 -31.3622 -31.3622 -31.0360 -31.0360 -31.0353 -31.0353 -13.0437 -13.0437 -0.0485 -0.0485 1.6784 1.6784 2.0939 2.0939 3.1354 3.1354 3.2871 3.2871 6.8763 6.8763 7.0626 7.0626 9.7386 9.7386 9.9279 9.9279 10.2619 10.2619 10.4880 10.4880 10.6644 10.6644 10.8622 10.8622 11.2165 11.2165 12.3102 12.3102 12.5394 12.5394 12.9956 12.9956 13.1071 13.1071 13.4117 13.4117 15.7876 15.7876 15.9254 15.9254 18.8390 18.8390 19.0898 19.0898 k = 0.4107 0.1823 1.1544 ( 4826 PWs) bands (ev): -77.7910 -77.7910 -77.7906 -77.7906 -44.6748 -44.6748 -44.6739 -44.6739 -31.3652 -31.3652 -31.3617 -31.3617 -31.0364 -31.0364 -31.0354 -31.0354 -13.0440 -13.0440 -0.0481 -0.0481 1.6785 1.6785 2.0931 2.0931 3.1375 3.1375 3.2821 3.2821 6.8743 6.8743 7.0769 7.0769 9.7305 9.7305 9.9274 9.9274 10.2505 10.2505 10.4914 10.4914 10.6708 10.6708 10.8707 10.8707 11.2110 11.2110 12.3124 12.3124 12.5120 12.5120 12.9993 12.9993 13.1145 13.1145 13.4373 13.4373 15.7826 15.7826 15.9290 15.9290 18.8214 18.8214 19.0761 19.0761 k = 0.4286 0.1902 1.1457 ( 4830 PWs) bands (ev): -77.7910 -77.7910 -77.7906 -77.7906 -44.6749 -44.6749 -44.6738 -44.6738 -31.3653 -31.3653 -31.3611 -31.3611 -31.0368 -31.0368 -31.0355 -31.0355 -13.0443 -13.0443 -0.0476 -0.0476 1.6788 1.6788 2.0922 2.0922 3.1399 3.1399 3.2763 3.2763 6.8739 6.8739 7.0908 7.0908 9.7228 9.7228 9.9247 9.9247 10.2403 10.2403 10.4939 10.4939 10.6780 10.6780 10.8785 10.8785 11.2057 11.2057 12.3140 12.3140 12.4889 12.4889 13.0016 13.0016 13.1234 13.1234 13.4594 13.4594 15.7785 15.7785 15.9322 15.9322 18.8124 18.8124 19.0641 19.0641 k = 0.4464 0.1982 1.1370 ( 4834 PWs) bands (ev): -77.7911 -77.7911 -77.7906 -77.7906 -44.6750 -44.6750 -44.6737 -44.6737 -31.3654 -31.3654 -31.3604 -31.3604 -31.0372 -31.0372 -31.0356 -31.0356 -13.0446 -13.0446 -0.0471 -0.0471 1.6790 1.6790 2.0911 2.0911 3.1427 3.1427 3.2698 3.2698 6.8754 6.8754 7.1041 7.1041 9.7158 9.7158 9.9195 9.9195 10.2316 10.2316 10.4955 10.4955 10.6854 10.6854 10.8854 10.8854 11.2008 11.2008 12.3142 12.3142 12.4707 12.4707 13.0030 13.0030 13.1340 13.1340 13.4776 13.4776 15.7753 15.7753 15.9351 15.9351 18.8114 18.8114 19.0544 19.0544 k = 0.4643 0.2061 1.1283 ( 4838 PWs) bands (ev): -77.7911 -77.7911 -77.7905 -77.7905 -44.6752 -44.6752 -44.6736 -44.6736 -31.3655 -31.3655 -31.3597 -31.3597 -31.0377 -31.0377 -31.0358 -31.0358 -13.0450 -13.0450 -0.0465 -0.0465 1.6793 1.6793 2.0900 2.0900 3.1457 3.1457 3.2628 3.2628 6.8786 6.8786 7.1169 7.1169 9.7093 9.7093 9.9120 9.9120 10.2246 10.2246 10.4967 10.4967 10.6926 10.6926 10.8912 10.8912 11.1967 11.1967 12.3126 12.3126 12.4577 12.4577 13.0037 13.0037 13.1460 13.1460 13.4923 13.4923 15.7731 15.7731 15.9377 15.9377 18.8172 18.8172 19.0481 19.0481 k = 0.4821 0.2140 1.1197 ( 4836 PWs) bands (ev): -77.7912 -77.7912 -77.7905 -77.7905 -44.6753 -44.6753 -44.6734 -44.6734 -31.3657 -31.3657 -31.3588 -31.3588 -31.0383 -31.0383 -31.0359 -31.0359 -13.0454 -13.0454 -0.0459 -0.0459 1.6796 1.6796 2.0887 2.0887 3.1489 3.1489 3.2554 3.2554 6.8833 6.8833 7.1289 7.1289 9.7033 9.7033 9.9024 9.9024 10.2195 10.2195 10.4974 10.4974 10.6991 10.6991 10.8957 10.8957 11.1933 11.1933 12.3090 12.3090 12.4495 12.4495 13.0040 13.0040 13.1596 13.1596 13.5038 13.5038 15.7721 15.7721 15.9400 15.9400 18.8279 18.8279 19.0469 19.0469 k = 0.5000 0.2219 1.1110 ( 4840 PWs) bands (ev): -77.7912 -77.7912 -77.7904 -77.7904 -44.6755 -44.6755 -44.6733 -44.6733 -31.3658 -31.3658 -31.3580 -31.3580 -31.0388 -31.0388 -31.0360 -31.0360 -13.0458 -13.0458 -0.0452 -0.0452 1.6799 1.6799 2.0873 2.0873 3.1522 3.1522 3.2476 3.2476 6.8896 6.8896 7.1403 7.1403 9.6977 9.6977 9.8912 9.8912 10.2162 10.2162 10.4979 10.4979 10.7045 10.7045 10.8991 10.8991 11.1910 11.1910 12.3037 12.3037 12.4453 12.4453 13.0041 13.0041 13.1746 13.1746 13.5128 13.5128 15.7722 15.7722 15.9421 15.9421 18.8406 18.8406 19.0530 19.0530 k = 0.5000 0.2219 1.1110 ( 4840 PWs) bands (ev): -77.7912 -77.7912 -77.7904 -77.7904 -44.6755 -44.6755 -44.6733 -44.6733 -31.3658 -31.3658 -31.3580 -31.3580 -31.0388 -31.0388 -31.0360 -31.0360 -13.0458 -13.0458 -0.0452 -0.0452 1.6799 1.6799 2.0873 2.0873 3.1522 3.1522 3.2476 3.2476 6.8896 6.8896 7.1403 7.1403 9.6977 9.6977 9.8912 9.8912 10.2162 10.2162 10.4979 10.4979 10.7045 10.7045 10.8991 10.8991 11.1910 11.1910 12.3037 12.3037 12.4453 12.4453 13.0041 13.0041 13.1746 13.1746 13.5128 13.5128 15.7722 15.7722 15.9421 15.9421 18.8406 18.8406 19.0530 19.0530 k = 0.5000 0.2219 1.0892 ( 4832 PWs) bands (ev): -77.7913 -77.7913 -77.7903 -77.7903 -44.6759 -44.6759 -44.6728 -44.6728 -31.3662 -31.3662 -31.3555 -31.3555 -31.0405 -31.0405 -31.0364 -31.0364 -13.0470 -13.0470 -0.0434 -0.0434 1.6807 1.6807 2.0833 2.0833 3.1609 3.1609 3.2269 3.2269 6.9085 6.9085 7.1704 7.1704 9.6818 9.6818 9.8611 9.8611 10.2084 10.2084 10.4995 10.4995 10.7173 10.7173 10.9053 10.9053 11.1857 11.1857 12.2875 12.2875 12.4409 12.4409 13.0042 13.0042 13.2161 13.2161 13.5352 13.5352 15.7741 15.7741 15.9477 15.9477 18.8746 18.8746 19.0803 19.0803 k = 0.5000 0.2219 1.0674 ( 4828 PWs) bands (ev): -77.7915 -77.7915 -77.7901 -77.7901 -44.6763 -44.6763 -44.6722 -44.6722 -31.3666 -31.3666 -31.3527 -31.3527 -31.0423 -31.0423 -31.0369 -31.0369 -13.0484 -13.0484 -0.0412 -0.0412 1.6818 1.6818 2.0785 2.0785 3.1694 3.1694 3.2048 3.2048 6.9297 6.9297 7.2052 7.2052 9.6606 9.6606 9.8322 9.8322 10.1966 10.1966 10.5034 10.5034 10.7313 10.7313 10.9104 10.9104 11.1784 11.1784 12.2696 12.2696 12.4409 12.4409 13.0038 13.0038 13.2603 13.2603 13.5627 13.5627 15.7767 15.7767 15.9541 15.9541 18.9139 18.9139 19.1066 19.1066 k = 0.5000 0.2219 1.0456 ( 4824 PWs) bands (ev): -77.7917 -77.7917 -77.7899 -77.7899 -44.6769 -44.6769 -44.6716 -44.6716 -31.3671 -31.3671 -31.3494 -31.3494 -31.0444 -31.0444 -31.0374 -31.0374 -13.0500 -13.0500 -0.0387 -0.0387 1.6832 1.6832 2.0728 2.0728 3.1678 3.1678 3.1915 3.1915 6.9530 6.9530 7.2448 7.2448 9.6336 9.6336 9.8057 9.8057 10.1805 10.1805 10.5099 10.5099 10.7458 10.7458 10.9137 10.9137 11.1690 11.1690 12.2512 12.2512 12.4452 12.4452 13.0035 13.0035 13.3063 13.3063 13.5957 13.5957 15.7800 15.7800 15.9615 15.9615 18.9578 18.9578 19.1278 19.1278 k = 0.5000 0.2219 1.0239 ( 4824 PWs) bands (ev): -77.7919 -77.7919 -77.7897 -77.7897 -44.6775 -44.6775 -44.6709 -44.6709 -31.3678 -31.3678 -31.3458 -31.3458 -31.0468 -31.0468 -31.0380 -31.0380 -13.0517 -13.0517 -0.0359 -0.0359 1.6849 1.6849 2.0663 2.0663 3.1447 3.1447 3.1988 3.1988 6.9782 6.9782 7.2890 7.2890 9.6010 9.6010 9.7818 9.7818 10.1602 10.1602 10.5187 10.5187 10.7605 10.7605 10.9152 10.9152 11.1580 11.1580 12.2334 12.2334 12.4537 12.4537 13.0035 13.0035 13.3537 13.3537 13.6342 13.6342 15.7841 15.7841 15.9697 15.9697 19.0054 19.0054 19.1388 19.1388 k = 0.5000 0.2219 1.0021 ( 4820 PWs) bands (ev): -77.7921 -77.7921 -77.7895 -77.7895 -44.6781 -44.6781 -44.6702 -44.6702 -31.3684 -31.3684 -31.3419 -31.3419 -31.0493 -31.0493 -31.0387 -31.0387 -13.0537 -13.0537 -0.0329 -0.0329 1.6869 1.6869 2.0587 2.0587 3.1165 3.1165 3.2104 3.2104 7.0050 7.0050 7.3378 7.3378 9.5638 9.5638 9.7599 9.7599 10.1359 10.1359 10.5286 10.5286 10.7747 10.7747 10.9152 10.9152 11.1460 11.1460 12.2169 12.2169 12.4661 12.4661 13.0041 13.0041 13.4026 13.4026 13.6783 13.6783 15.7890 15.7890 15.9790 15.9790 19.0518 19.0518 19.1369 19.1369 k = 0.5000 0.2219 0.9803 ( 4816 PWs) bands (ev): -77.7924 -77.7924 -77.7892 -77.7892 -44.6789 -44.6789 -44.6693 -44.6693 -31.3692 -31.3692 -31.3376 -31.3376 -31.0520 -31.0520 -31.0394 -31.0394 -13.0558 -13.0558 -0.0295 -0.0295 1.6892 1.6892 2.0501 2.0501 3.0866 3.0866 3.2230 3.2230 7.0330 7.0330 7.3909 7.3909 9.5233 9.5233 9.7392 9.7392 10.1083 10.1083 10.5378 10.5378 10.7875 10.7875 10.9147 10.9147 11.1341 11.1341 12.2023 12.2023 12.4822 12.4822 13.0057 13.0057 13.4532 13.4532 13.7275 13.7275 15.7949 15.7949 15.9894 15.9894 19.0656 19.0656 19.1478 19.1478 k = 0.5000 0.2219 0.9585 ( 4822 PWs) bands (ev): -77.7927 -77.7927 -77.7890 -77.7890 -44.6797 -44.6797 -44.6685 -44.6685 -31.3701 -31.3701 -31.3330 -31.3330 -31.0548 -31.0548 -31.0401 -31.0401 -13.0580 -13.0580 -0.0259 -0.0259 1.6919 1.6919 2.0402 2.0402 3.0562 3.0562 3.2360 3.2360 7.0620 7.0620 7.4484 7.4484 9.4806 9.4806 9.7187 9.7187 10.0777 10.0777 10.5440 10.5440 10.7975 10.7975 10.9154 10.9154 11.1240 11.1240 12.1900 12.1900 12.5014 12.5014 13.0085 13.0085 13.5059 13.5059 13.7814 13.7814 15.8016 15.8016 16.0010 16.0010 19.0185 19.0185 19.1984 19.1984 k = 0.5000 0.2219 0.9367 ( 4810 PWs) bands (ev): -77.7929 -77.7929 -77.7887 -77.7887 -44.6805 -44.6805 -44.6675 -44.6675 -31.3711 -31.3711 -31.3280 -31.3280 -31.0579 -31.0579 -31.0409 -31.0409 -13.0605 -13.0605 -0.0220 -0.0220 1.6951 1.6951 2.0290 2.0290 3.0256 3.0256 3.2490 3.2490 7.0918 7.0918 7.5101 7.5101 9.4367 9.4367 9.6976 9.6976 10.0449 10.0449 10.5442 10.5442 10.8034 10.8034 10.9194 10.9194 11.1178 11.1178 12.1804 12.1804 12.5233 12.5233 13.0130 13.0130 13.5611 13.5611 13.8396 13.8396 15.8092 15.8092 16.0142 16.0142 18.9404 18.9404 19.2610 19.2610 k = 0.5000 0.2219 0.9149 ( 4802 PWs) bands (ev): -77.7932 -77.7932 -77.7884 -77.7884 -44.6813 -44.6813 -44.6665 -44.6665 -31.3722 -31.3722 -31.3228 -31.3228 -31.0610 -31.0610 -31.0418 -31.0418 -13.0630 -13.0630 -0.0179 -0.0179 1.6985 1.6985 2.0165 2.0165 2.9954 2.9954 3.2618 3.2618 7.1221 7.1221 7.5758 7.5758 9.3922 9.3922 9.6754 9.6754 10.0103 10.0103 10.5358 10.5358 10.8033 10.8033 10.9293 10.9293 11.1176 11.1176 12.1737 12.1737 12.5471 12.5471 13.0197 13.0197 13.6191 13.6191 13.9014 13.9014 15.8175 15.8175 16.0291 16.0291 18.8431 18.8431 19.2663 19.2663 k = 0.5000 0.2219 0.8932 ( 4806 PWs) bands (ev): -77.7936 -77.7936 -77.7880 -77.7880 -44.6823 -44.6823 -44.6655 -44.6655 -31.3734 -31.3734 -31.3172 -31.3172 -31.0642 -31.0642 -31.0427 -31.0427 -13.0657 -13.0657 -0.0135 -0.0135 1.7023 1.7023 2.0025 2.0025 2.9660 2.9660 3.2743 3.2743 7.1527 7.1527 7.6454 7.6454 9.3476 9.3476 9.6518 9.6518 9.9742 9.9742 10.5172 10.5172 10.7959 10.7959 10.9468 10.9468 11.1251 11.1251 12.1700 12.1700 12.5721 12.5721 13.0292 13.0292 13.6802 13.6802 13.9664 13.9664 15.8263 15.8263 16.0461 16.0461 18.7323 18.7323 19.1668 19.1668 k = 0.5000 0.2219 0.8714 ( 4802 PWs) bands (ev): -77.7939 -77.7939 -77.7877 -77.7877 -44.6833 -44.6833 -44.6645 -44.6645 -31.3747 -31.3747 -31.3114 -31.3114 -31.0675 -31.0675 -31.0437 -31.0437 -13.0686 -13.0686 -0.0090 -0.0090 1.7064 1.7064 1.9871 1.9871 2.9378 2.9378 3.2862 3.2862 7.1834 7.1834 7.7186 7.7186 9.3033 9.3033 9.6265 9.6265 9.9371 9.9371 10.4883 10.4883 10.7808 10.7808 10.9723 10.9723 11.1410 11.1410 12.1696 12.1696 12.5973 12.5973 13.0420 13.0420 13.7446 13.7446 14.0343 14.0343 15.8355 15.8355 16.0656 16.0656 18.6122 18.6122 19.0639 19.0639 k = 0.5000 0.2219 0.8496 ( 4802 PWs) bands (ev): -77.7943 -77.7943 -77.7873 -77.7873 -44.6843 -44.6843 -44.6633 -44.6633 -31.3762 -31.3762 -31.3053 -31.3053 -31.0709 -31.0709 -31.0447 -31.0447 -13.0716 -13.0716 -0.0042 -0.0042 1.7105 1.7105 1.9703 1.9703 2.9112 2.9112 3.2973 3.2973 7.2140 7.2140 7.7953 7.7953 9.2594 9.2594 9.5994 9.5994 9.8993 9.8993 10.4503 10.4503 10.7588 10.7588 11.0049 11.0049 11.1649 11.1649 12.1723 12.1723 12.6220 12.6220 13.0589 13.0589 13.8122 13.8122 14.1047 14.1047 15.8448 15.8448 16.0878 16.0878 18.4859 18.4859 18.9585 18.9585 k = 0.5000 0.2219 0.8278 ( 4800 PWs) bands (ev): -77.7946 -77.7946 -77.7870 -77.7870 -44.6854 -44.6854 -44.6621 -44.6621 -31.3778 -31.3778 -31.2990 -31.2990 -31.0743 -31.0743 -31.0457 -31.0457 -13.0747 -13.0747 0.0008 0.0008 1.7145 1.7145 1.9524 1.9524 2.8863 2.8863 3.3075 3.3075 7.2444 7.2444 7.8753 7.8753 9.2161 9.2161 9.5705 9.5705 9.8609 9.8609 10.4045 10.4045 10.7313 10.7313 11.0433 11.0433 11.1960 11.1960 12.1783 12.1783 12.6453 12.6453 13.0801 13.0801 13.8828 13.8828 14.1774 14.1774 15.8541 15.8541 16.1134 16.1134 18.3559 18.3559 18.8516 18.8516 k = 0.5000 0.2219 0.8060 ( 4794 PWs) bands (ev): -77.7950 -77.7950 -77.7866 -77.7866 -44.6864 -44.6864 -44.6609 -44.6609 -31.3795 -31.3795 -31.2924 -31.2924 -31.0778 -31.0778 -31.0468 -31.0468 -13.0779 -13.0779 0.0059 0.0059 1.7180 1.7180 1.9339 1.9339 2.8635 2.8635 3.3166 3.3166 7.2744 7.2744 7.9584 7.9584 9.1733 9.1733 9.5398 9.5398 9.8223 9.8223 10.3527 10.3527 10.6998 10.6998 11.0860 11.0860 11.2338 11.2338 12.1875 12.1875 12.6667 12.6667 13.1060 13.1060 13.9564 13.9564 14.2520 14.2520 15.8629 15.8629 16.1426 16.1426 18.2244 18.2244 18.7435 18.7435 k = 0.5000 0.2219 0.7842 ( 4784 PWs) bands (ev): -77.7954 -77.7954 -77.7862 -77.7862 -44.6875 -44.6875 -44.6597 -44.6597 -31.3814 -31.3814 -31.2857 -31.2857 -31.0812 -31.0812 -31.0478 -31.0478 -13.0812 -13.0812 0.0111 0.0111 1.7202 1.7202 1.9154 1.9154 2.8429 2.8429 3.3245 3.3245 7.3041 7.3041 8.0442 8.0442 9.1312 9.1312 9.5072 9.5072 9.7835 9.7835 10.2960 10.2960 10.6656 10.6656 11.1318 11.1318 11.2777 11.2777 12.1997 12.1997 12.6863 12.6863 13.1366 13.1366 14.0327 14.0327 14.3285 14.3285 15.8712 15.8712 16.1759 16.1759 18.0930 18.0930 18.6348 18.6348 k = 0.5000 0.2219 0.7624 ( 4792 PWs) bands (ev): -77.7958 -77.7958 -77.7858 -77.7858 -44.6887 -44.6887 -44.6585 -44.6585 -31.3834 -31.3834 -31.2788 -31.2788 -31.0846 -31.0846 -31.0490 -31.0490 -13.0846 -13.0846 0.0164 0.0164 1.7202 1.7202 1.8981 1.8981 2.8245 2.8245 3.3311 3.3311 7.3333 7.3333 8.1325 8.1325 9.0896 9.0896 9.4728 9.4728 9.7447 9.7447 10.2357 10.2357 10.6298 10.6298 11.1796 11.1796 11.3272 11.3272 12.2146 12.2146 12.7040 12.7040 13.1713 13.1713 14.1112 14.1112 14.4064 14.4064 15.8788 15.8788 16.2135 16.2135 17.9631 17.9631 18.5256 18.5256 k = 0.5000 0.2219 0.7407 ( 4798 PWs) bands (ev): -77.7962 -77.7962 -77.7854 -77.7854 -44.6899 -44.6899 -44.6572 -44.6572 -31.3856 -31.3856 -31.2717 -31.2717 -31.0880 -31.0880 -31.0502 -31.0502 -13.0880 -13.0880 0.0217 0.0217 1.7166 1.7166 1.8835 1.8835 2.8084 2.8084 3.3362 3.3362 7.3619 7.3619 8.2230 8.2230 9.0485 9.0485 9.4369 9.4369 9.7061 9.7061 10.1728 10.1728 10.5934 10.5934 11.2289 11.2289 11.3819 11.3819 12.2321 12.2321 12.7205 12.7205 13.2098 13.2098 14.1917 14.1917 14.4857 14.4857 15.8856 15.8856 16.2557 16.2557 17.8360 17.8360 18.4163 18.4163 k = 0.5000 0.2219 0.7189 ( 4796 PWs) bands (ev): -77.7967 -77.7967 -77.7850 -77.7850 -44.6911 -44.6911 -44.6559 -44.6559 -31.3880 -31.3880 -31.2645 -31.2645 -31.0914 -31.0914 -31.0513 -31.0513 -13.0916 -13.0916 0.0271 0.0271 1.7080 1.7080 1.8734 1.8734 2.7945 2.7945 3.3397 3.3397 7.3900 7.3900 8.3152 8.3152 9.0077 9.0077 9.3995 9.3995 9.6677 9.6677 10.1080 10.1080 10.5572 10.5572 11.2793 11.2793 11.4414 11.4414 12.2517 12.2517 12.7366 12.7366 13.2512 13.2512 14.2737 14.2737 14.5658 14.5658 15.8915 15.8915 16.3026 16.3026 17.7129 17.7129 18.3072 18.3072 k = 0.5000 0.2219 0.6971 ( 4800 PWs) bands (ev): -77.7971 -77.7971 -77.7845 -77.7845 -44.6923 -44.6923 -44.6546 -44.6546 -31.3904 -31.3904 -31.2571 -31.2571 -31.0946 -31.0946 -31.0525 -31.0525 -13.0952 -13.0952 0.0324 0.0324 1.6935 1.6935 1.8688 1.8688 2.7827 2.7827 3.3417 3.3417 7.4176 7.4176 8.4088 8.4088 8.9673 8.9673 9.3608 9.3608 9.6294 9.6294 10.0420 10.0420 10.5220 10.5220 11.3304 11.3304 11.5052 11.5052 12.2732 12.2732 12.7530 12.7530 13.2948 13.2948 14.3567 14.3567 14.6466 14.6466 15.8964 15.8964 16.3545 16.3545 17.5951 17.5951 18.1984 18.1984 k = 0.5000 0.2219 0.6753 ( 4800 PWs) bands (ev): -77.7975 -77.7975 -77.7841 -77.7841 -44.6935 -44.6935 -44.6532 -44.6532 -31.3931 -31.3931 -31.2497 -31.2497 -31.0978 -31.0978 -31.0537 -31.0537 -13.0988 -13.0988 0.0375 0.0375 1.6735 1.6735 1.8696 1.8696 2.7729 2.7729 3.3419 3.3419 7.4448 7.4448 8.5031 8.5031 8.9274 8.9274 9.3210 9.3210 9.5913 9.5913 9.9756 9.9756 10.4885 10.4885 11.3823 11.3823 11.5727 11.5727 12.2960 12.2960 12.7707 12.7707 13.3397 13.3397 14.4401 14.4401 14.7277 14.7277 15.9004 15.9004 16.4113 16.4113 17.4838 17.4838 18.0901 18.0901 k = 0.5000 0.2219 0.6535 ( 4794 PWs) bands (ev): -77.7980 -77.7980 -77.7837 -77.7837 -44.6948 -44.6948 -44.6518 -44.6518 -31.3958 -31.3958 -31.2421 -31.2421 -31.1008 -31.1008 -31.0549 -31.0549 -13.1025 -13.1025 0.0426 0.0426 1.6492 1.6492 1.8749 1.8749 2.7649 2.7649 3.3404 3.3404 7.4714 7.4714 8.5969 8.5969 8.8884 8.8884 9.2804 9.2804 9.5534 9.5534 9.9094 9.9094 10.4572 10.4572 11.4347 11.4347 11.6434 11.6434 12.3199 12.3199 12.7905 12.7905 13.3853 13.3853 14.5232 14.5232 14.8085 14.8085 15.9035 15.9035 16.4730 16.4730 17.3805 17.3805 17.9826 17.9826 k = 0.5000 0.2219 0.6317 ( 4798 PWs) bands (ev): -77.7984 -77.7984 -77.7832 -77.7832 -44.6961 -44.6961 -44.6505 -44.6505 -31.3987 -31.3987 -31.2346 -31.2346 -31.1038 -31.1038 -31.0561 -31.0561 -13.1062 -13.1062 0.0474 0.0474 1.6219 1.6219 1.8837 1.8837 2.7585 2.7585 3.3372 3.3372 7.4977 7.4977 8.6865 8.6865 8.8534 8.8534 9.2393 9.2393 9.5154 9.5154 9.8439 9.8439 10.4287 10.4287 11.4875 11.4875 11.7168 11.7168 12.3444 12.3444 12.8132 12.8132 13.4310 13.4310 14.6049 14.6049 14.8887 14.8887 15.9055 15.9055 16.5395 16.5395 17.2867 17.2867 17.8761 17.8761 k = 0.5000 0.2219 0.6100 ( 4814 PWs) bands (ev): -77.7989 -77.7989 -77.7828 -77.7828 -44.6974 -44.6974 -44.6492 -44.6492 -31.4018 -31.4018 -31.2270 -31.2270 -31.1066 -31.1066 -31.0574 -31.0574 -13.1099 -13.1099 0.0519 0.0519 1.5928 1.5928 1.8951 1.8951 2.7536 2.7536 3.3322 3.3322 7.5237 7.5237 8.7490 8.7490 8.8441 8.8441 9.1983 9.1983 9.4772 9.4772 9.7799 9.7799 10.4034 10.4034 11.5403 11.5403 11.7924 11.7924 12.3696 12.3696 12.8395 12.8395 13.4763 13.4763 14.6839 14.6839 14.9681 14.9681 15.9064 15.9064 16.6107 16.6107 17.2042 17.2042 17.7709 17.7709 k = 0.5000 0.2219 0.5882 ( 4804 PWs) bands (ev): -77.7993 -77.7993 -77.7824 -77.7824 -44.6986 -44.6986 -44.6478 -44.6478 -31.4049 -31.4049 -31.2193 -31.2193 -31.1093 -31.1093 -31.0586 -31.0586 -13.1136 -13.1136 0.0560 0.0560 1.5628 1.5628 1.9084 1.9084 2.7501 2.7501 3.3254 3.3254 7.5495 7.5495 8.7381 8.7381 8.9052 8.9052 9.1588 9.1588 9.4386 9.4386 9.7181 9.7181 10.3818 10.3818 11.5928 11.5928 11.8698 11.8698 12.3954 12.3954 12.8700 12.8700 13.5207 13.5207 14.7583 14.7583 15.0468 15.0468 15.9060 15.9060 16.6863 16.6863 17.1351 17.1351 17.6672 17.6672 k = 0.5000 0.2219 0.5664 ( 4798 PWs) bands (ev): -77.7997 -77.7997 -77.7819 -77.7819 -44.6998 -44.6998 -44.6464 -44.6464 -31.4081 -31.4081 -31.2118 -31.2118 -31.1118 -31.1118 -31.0598 -31.0598 -13.1173 -13.1173 0.0597 0.0597 1.5325 1.5325 1.9234 1.9234 2.7476 2.7476 3.3169 3.3169 7.5751 7.5751 8.7011 8.7011 8.9830 8.9830 9.1264 9.1264 9.3994 9.3994 9.6593 9.6593 10.3640 10.3640 11.6442 11.6442 11.9486 11.9486 12.4223 12.4223 12.9048 12.9048 13.5639 13.5639 14.8256 14.8256 15.1254 15.1254 15.9043 15.9043 16.7659 16.7659 17.0814 17.0814 17.5652 17.5652 k = 0.5000 0.2219 0.5446 ( 4794 PWs) bands (ev): -77.8002 -77.8002 -77.7815 -77.7815 -44.7011 -44.7011 -44.6451 -44.6451 -31.4115 -31.4115 -31.2042 -31.2042 -31.1142 -31.1142 -31.0609 -31.0609 -13.1209 -13.1209 0.0630 0.0630 1.5023 1.5023 1.9398 1.9398 2.7461 2.7461 3.3066 3.3066 7.6006 7.6006 8.6592 8.6592 9.0236 9.0236 9.1326 9.1326 9.3592 9.3592 9.6050 9.6050 10.3503 10.3503 11.6939 11.6939 12.0283 12.0283 12.4511 12.4511 12.9440 12.9440 13.6056 13.6056 14.8830 14.8830 15.2049 15.2049 15.9008 15.9008 16.8492 16.8492 17.0451 17.0451 17.4655 17.4655 k = 0.5000 0.2219 0.5228 ( 4792 PWs) bands (ev): -77.8006 -77.8006 -77.7811 -77.7811 -44.7023 -44.7023 -44.6437 -44.6437 -31.4149 -31.4149 -31.1967 -31.1967 -31.1164 -31.1164 -31.0621 -31.0621 -13.1246 -13.1246 0.0657 0.0657 1.4727 1.4727 1.9573 1.9573 2.7455 2.7455 3.2946 3.2946 7.6262 7.6262 8.6154 8.6154 9.0025 9.0025 9.1964 9.1964 9.3180 9.3180 9.5579 9.5579 10.3408 10.3408 11.7410 11.7410 12.1083 12.1083 12.4826 12.4826 12.9876 12.9876 13.6457 13.6457 14.9275 14.9275 15.2866 15.2866 15.8954 15.8954 16.9351 16.9351 17.0279 17.0279 17.3686 17.3686 k = 0.5000 0.2219 0.5010 ( 4796 PWs) bands (ev): -77.8010 -77.8010 -77.7806 -77.7806 -44.7036 -44.7036 -44.6424 -44.6424 -31.4184 -31.4184 -31.1893 -31.1893 -31.1185 -31.1185 -31.0633 -31.0633 -13.1282 -13.1282 0.0678 0.0678 1.4441 1.4441 1.9758 1.9758 2.7455 2.7455 3.2810 3.2810 7.6520 7.6520 8.5706 8.5706 8.9653 8.9653 9.2584 9.2584 9.2826 9.2826 9.5242 9.5242 10.3354 10.3354 11.7845 11.7845 12.1882 12.1882 12.5181 12.5181 13.0351 13.0351 13.6838 13.6838 14.9573 14.9573 15.3714 15.3714 15.8881 15.8881 17.0170 17.0170 17.0357 17.0357 17.2760 17.2760 k = 0.5000 0.2219 0.4793 ( 4788 PWs) bands (ev): -77.8014 -77.8014 -77.7802 -77.7802 -44.7048 -44.7048 -44.6411 -44.6411 -31.4219 -31.4219 -31.1821 -31.1821 -31.1205 -31.1205 -31.0644 -31.0644 -13.1317 -13.1317 0.0692 0.0692 1.4166 1.4166 1.9953 1.9953 2.7461 2.7461 3.2659 3.2659 7.6780 7.6780 8.5251 8.5251 8.9252 8.9252 9.2278 9.2278 9.3138 9.3138 9.5203 9.5203 10.3342 10.3342 11.8235 11.8235 12.2674 12.2674 12.5588 12.5588 13.0863 13.0863 13.7201 13.7201 14.9717 14.9717 15.4596 15.4596 15.8789 15.8789 17.0412 17.0412 17.1156 17.1156 17.1938 17.1938 k = 0.5000 0.2219 0.4575 ( 4780 PWs) bands (ev): -77.8018 -77.8018 -77.7798 -77.7798 -44.7059 -44.7059 -44.6398 -44.6398 -31.4255 -31.4255 -31.1749 -31.1749 -31.1223 -31.1223 -31.0655 -31.0655 -13.1352 -13.1352 0.0699 0.0699 1.3905 1.3905 2.0156 2.0156 2.7472 2.7472 3.2492 3.2492 7.7043 7.7043 8.4793 8.4793 8.8848 8.8848 9.1828 9.1828 9.3165 9.3165 9.5606 9.5606 10.3370 10.3370 11.8571 11.8571 12.3453 12.3453 12.6058 12.6058 13.1407 13.1407 13.7543 13.7543 14.9715 14.9715 15.5510 15.5510 15.8682 15.8682 17.0359 17.0359 17.1529 17.1529 17.2064 17.2064 k = 0.5000 0.2219 0.4357 ( 4782 PWs) bands (ev): -77.8022 -77.8022 -77.7794 -77.7794 -44.7071 -44.7071 -44.6385 -44.6385 -31.4290 -31.4290 -31.1679 -31.1679 -31.1239 -31.1239 -31.0665 -31.0665 -13.1386 -13.1386 0.0700 0.0700 1.3659 1.3659 2.0367 2.0367 2.7486 2.7486 3.2311 3.2311 7.7310 7.7310 8.4334 8.4334 8.8449 8.8449 9.1366 9.1366 9.2929 9.2929 9.6285 9.6285 10.3435 10.3435 11.8850 11.8850 12.4216 12.4216 12.6593 12.6593 13.1979 13.1979 13.7866 13.7866 14.9583 14.9583 15.6449 15.6449 15.8564 15.8564 16.9731 16.9731 17.1925 17.1925 17.2937 17.2937 k = 0.5000 0.2219 0.4139 ( 4794 PWs) bands (ev): -77.8026 -77.8026 -77.7790 -77.7790 -44.7083 -44.7083 -44.6374 -44.6374 -31.4326 -31.4326 -31.1612 -31.1612 -31.1254 -31.1254 -31.0676 -31.0676 -13.1419 -13.1419 0.0693 0.0693 1.3430 1.3430 2.0585 2.0585 2.7504 2.7504 3.2117 3.2117 7.7580 7.7580 8.3877 8.3877 8.8058 8.8058 9.0902 9.0902 9.2600 9.2600 9.7057 9.7057 10.3536 10.3536 11.9068 11.9068 12.4959 12.4959 12.7193 12.7193 13.2574 13.2574 13.8169 13.8169 14.9344 14.9344 15.7398 15.7398 15.8447 15.8447 16.8946 16.8946 17.2672 17.2672 17.3766 17.3766 k = 0.5000 0.2219 0.3921 ( 4794 PWs) bands (ev): -77.8030 -77.8030 -77.7787 -77.7787 -44.7094 -44.7094 -44.6362 -44.6362 -31.4361 -31.4361 -31.1546 -31.1546 -31.1268 -31.1268 -31.0686 -31.0686 -13.1451 -13.1451 0.0679 0.0679 1.3218 1.3218 2.0809 2.0809 2.7523 2.7523 3.1911 3.1911 7.7855 7.7855 8.3425 8.3425 8.7680 8.7680 9.0442 9.0442 9.2241 9.2241 9.7849 9.7849 10.3668 10.3668 11.9229 11.9229 12.5685 12.5685 12.7848 12.7848 13.3187 13.3187 13.8455 13.8455 14.9021 14.9021 15.8141 15.8141 15.8544 15.8544 16.8157 16.8157 17.3602 17.3602 17.4510 17.4510 k = 0.5000 0.2219 0.3703 ( 4792 PWs) bands (ev): -77.8034 -77.8034 -77.7783 -77.7783 -44.7104 -44.7104 -44.6351 -44.6351 -31.4396 -31.4396 -31.1483 -31.1483 -31.1281 -31.1281 -31.0695 -31.0695 -13.1482 -13.1482 0.0658 0.0658 1.3024 1.3024 2.1040 2.1040 2.7544 2.7544 3.1693 3.1693 7.8135 7.8135 8.2982 8.2982 8.7316 8.7316 8.9990 8.9990 9.1871 9.1871 9.8635 9.8635 10.3829 10.3829 11.9338 11.9338 12.6395 12.6395 12.8543 12.8543 13.3813 13.3813 13.8725 13.8725 14.8638 14.8638 15.8092 15.8092 15.9435 15.9435 16.7396 16.7396 17.4668 17.4668 17.5116 17.5116 k = 0.5000 0.2219 0.3485 ( 4798 PWs) bands (ev): -77.8037 -77.8037 -77.7780 -77.7780 -44.7114 -44.7114 -44.6341 -44.6341 -31.4430 -31.4430 -31.1423 -31.1423 -31.1292 -31.1292 -31.0704 -31.0704 -13.1512 -13.1512 0.0630 0.0630 1.2848 1.2848 2.1275 2.1275 2.7566 2.7566 3.1465 3.1465 7.8418 7.8418 8.2551 8.2551 8.6968 8.6968 8.9552 8.9552 9.1497 9.1497 9.9401 9.9401 10.4015 10.4015 11.9399 11.9399 12.7093 12.7093 12.9260 12.9260 13.4443 13.4443 13.8982 13.8982 14.8216 14.8216 15.7948 15.7948 16.0414 16.0414 16.6677 16.6677 17.5519 17.5519 17.5855 17.5855 k = 0.5000 0.2219 0.3268 ( 4798 PWs) bands (ev): -77.8041 -77.8041 -77.7776 -77.7776 -44.7124 -44.7124 -44.6330 -44.6330 -31.4463 -31.4463 -31.1366 -31.1366 -31.1301 -31.1301 -31.0712 -31.0712 -13.1540 -13.1540 0.0597 0.0597 1.2690 1.2690 2.1516 2.1516 2.7588 2.7588 3.1228 3.1228 7.8702 7.8702 8.2137 8.2137 8.6638 8.6638 8.9131 8.9131 9.1120 9.1120 10.0141 10.0141 10.4223 10.4223 11.9421 11.9421 12.7779 12.7779 12.9983 12.9983 13.5070 13.5070 13.9232 13.9232 14.7775 14.7775 15.7790 15.7790 16.1385 16.1385 16.6017 16.6017 17.5720 17.5720 17.7123 17.7123 k = 0.5000 0.2219 0.3050 ( 4790 PWs) bands (ev): -77.8044 -77.8044 -77.7773 -77.7773 -44.7133 -44.7133 -44.6320 -44.6320 -31.4494 -31.4494 -31.1322 -31.1322 -31.1299 -31.1299 -31.0720 -31.0720 -13.1567 -13.1567 0.0558 0.0558 1.2549 1.2549 2.1761 2.1761 2.7610 2.7610 3.0983 3.0983 7.8984 7.8984 8.1747 8.1747 8.6327 8.6327 8.8729 8.8729 9.0741 9.0741 10.0849 10.0849 10.4447 10.4447 11.9409 11.9409 12.8451 12.8451 13.0697 13.0697 13.5681 13.5681 13.9484 13.9484 14.7332 14.7332 15.7622 15.7622 16.2299 16.2299 16.5459 16.5459 17.5730 17.5730 17.8469 17.8469 k = 0.5000 0.2219 0.2832 ( 4782 PWs) bands (ev): -77.8047 -77.8047 -77.7770 -77.7770 -44.7141 -44.7141 -44.6311 -44.6311 -31.4525 -31.4525 -31.1322 -31.1322 -31.1255 -31.1255 -31.0727 -31.0727 -13.1593 -13.1593 0.0515 0.0515 1.2425 1.2425 2.2009 2.2009 2.7632 2.7632 3.0732 3.0732 7.9256 7.9256 8.1389 8.1389 8.6036 8.6036 8.8349 8.8349 9.0359 9.0359 10.1524 10.1524 10.4684 10.4684 11.9369 11.9369 12.9107 12.9107 13.1389 13.1389 13.6259 13.6259 13.9750 13.9750 14.6902 14.6902 15.7447 15.7447 16.3019 16.3019 16.5137 16.5137 17.5610 17.5610 17.9879 17.9879 k = 0.5000 0.2219 0.2614 ( 4786 PWs) bands (ev): -77.8050 -77.8050 -77.7767 -77.7767 -44.7150 -44.7150 -44.6302 -44.6302 -31.4554 -31.4554 -31.1329 -31.1329 -31.1207 -31.1207 -31.0733 -31.0733 -13.1617 -13.1617 0.0469 0.0469 1.2316 1.2316 2.2260 2.2260 2.7653 2.7653 3.0475 3.0475 7.9497 7.9497 8.1087 8.1087 8.5767 8.5767 8.7993 8.7993 8.9974 8.9974 10.2161 10.2161 10.4930 10.4930 11.9307 11.9307 12.9743 12.9743 13.2047 13.2047 13.6779 13.6779 14.0048 14.0048 14.6496 14.6496 15.7265 15.7265 16.3227 16.3227 16.5365 16.5365 17.5417 17.5417 18.1338 18.1338 k = 0.5000 0.2219 0.2396 ( 4782 PWs) bands (ev): -77.8052 -77.8052 -77.7765 -77.7765 -44.7157 -44.7157 -44.6294 -44.6294 -31.4581 -31.4581 -31.1335 -31.1335 -31.1163 -31.1163 -31.0738 -31.0738 -13.1639 -13.1639 0.0421 0.0421 1.2222 1.2222 2.2513 2.2513 2.7673 2.7673 3.0215 3.0215 7.9662 7.9662 8.0887 8.0887 8.5522 8.5522 8.7661 8.7661 8.9587 8.9587 10.2758 10.2758 10.5181 10.5181 11.9229 11.9229 13.0356 13.0356 13.2662 13.2662 13.7218 13.7218 14.0396 14.0396 14.6126 14.6126 15.7075 15.7075 16.2971 16.2971 16.6095 16.6095 17.5194 17.5194 18.2833 18.2833 k = 0.5000 0.2219 0.2178 ( 4780 PWs) bands (ev): -77.8055 -77.8055 -77.7762 -77.7762 -44.7164 -44.7164 -44.6286 -44.6286 -31.4607 -31.4607 -31.1340 -31.1340 -31.1122 -31.1122 -31.0743 -31.0743 -13.1660 -13.1660 0.0373 0.0373 1.2142 1.2142 2.2766 2.2766 2.7692 2.7692 2.9954 2.9954 7.9679 7.9679 8.0862 8.0862 8.5301 8.5301 8.7357 8.7357 8.9198 8.9198 10.3313 10.3313 10.5432 10.5432 11.9137 11.9137 13.0941 13.0941 13.3228 13.3228 13.7553 13.7553 14.0807 14.0807 14.5799 14.5799 15.6878 15.6878 16.2578 16.2578 16.6992 16.6992 17.4967 17.4967 18.4347 18.4347 k = 0.5000 0.2219 0.1961 ( 4780 PWs) bands (ev): -77.8057 -77.8057 -77.7760 -77.7760 -44.7171 -44.7171 -44.6279 -44.6279 -31.4630 -31.4630 -31.1345 -31.1345 -31.1085 -31.1085 -31.0746 -31.0746 -13.1679 -13.1679 0.0324 0.0324 1.2074 1.2074 2.3018 2.3018 2.7709 2.7709 2.9693 2.9693 7.9549 7.9549 8.1009 8.1009 8.5109 8.5109 8.7078 8.7078 8.8807 8.8807 10.3822 10.3822 10.5681 10.5681 11.9037 11.9037 13.1495 13.1495 13.3737 13.3737 13.7780 13.7780 14.1280 14.1280 14.5520 14.5520 15.6675 15.6675 16.2174 16.2174 16.7925 16.7925 17.4753 17.4753 18.5829 18.5829 k = 0.5000 0.2219 0.1743 ( 4776 PWs) bands (ev): -77.8059 -77.8059 -77.7758 -77.7758 -44.7177 -44.7177 -44.6273 -44.6273 -31.4652 -31.4652 -31.1349 -31.1349 -31.1052 -31.1052 -31.0749 -31.0749 -13.1696 -13.1696 0.0277 0.0277 1.2017 1.2017 2.3266 2.3266 2.7723 2.7723 2.9436 2.9436 7.9353 7.9353 8.1248 8.1248 8.4946 8.4946 8.6828 8.6828 8.8415 8.8415 10.4282 10.4282 10.5923 10.5923 11.8934 11.8934 13.2015 13.2015 13.4186 13.4186 13.7911 13.7911 14.1796 14.1796 14.5292 14.5292 15.6469 15.6469 16.1795 16.1795 16.8849 16.8849 17.4561 17.4561 18.6674 18.6674 k = 0.5000 0.2219 0.1525 ( 4776 PWs) bands (ev): -77.8060 -77.8060 -77.7756 -77.7756 -44.7182 -44.7182 -44.6267 -44.6267 -31.4671 -31.4671 -31.1353 -31.1353 -31.1024 -31.1024 -31.0750 -31.0750 -13.1711 -13.1711 0.0232 0.0232 1.1970 1.1970 2.3509 2.3509 2.7736 2.7736 2.9185 2.9185 7.9146 7.9146 8.1519 8.1519 8.4818 8.4818 8.6605 8.6605 8.8024 8.8024 10.4692 10.4692 10.6153 10.6153 11.8829 11.8829 13.2496 13.2496 13.4571 13.4571 13.7964 13.7964 14.2328 14.2328 14.5114 14.5114 15.6262 15.6262 16.1453 16.1453 16.9738 16.9738 17.4400 17.4400 18.7292 18.7292 k = 0.5000 0.2219 0.1307 ( 4788 PWs) bands (ev): -77.8062 -77.8062 -77.7755 -77.7755 -44.7187 -44.7187 -44.6263 -44.6263 -31.4688 -31.4688 -31.1356 -31.1356 -31.1000 -31.1000 -31.0751 -31.0751 -13.1725 -13.1725 0.0191 0.0191 1.1932 1.1932 2.3742 2.3742 2.7746 2.7746 2.8946 2.8946 7.8951 7.8951 8.1794 8.1794 8.4729 8.4729 8.6409 8.6409 8.7634 8.7634 10.5049 10.5049 10.6369 10.6369 11.8729 11.8729 13.2936 13.2936 13.4890 13.4890 13.7963 13.7963 14.2850 14.2850 14.4981 14.4981 15.6059 15.6059 16.1155 16.1155 17.0568 17.0568 17.4277 17.4277 18.7839 18.7839 k = 0.5000 0.2219 0.1089 ( 4788 PWs) bands (ev): -77.8063 -77.8063 -77.7754 -77.7754 -44.7191 -44.7191 -44.6259 -44.6259 -31.4702 -31.4702 -31.1359 -31.1359 -31.0980 -31.0980 -31.0751 -31.0751 -13.1736 -13.1736 0.0155 0.0155 1.1901 1.1901 2.3961 2.3961 2.7752 2.7752 2.8723 2.8723 7.8777 7.8777 8.2055 8.2055 8.4687 8.4687 8.6242 8.6242 8.7250 8.7250 10.5351 10.5351 10.6565 10.6565 11.8636 11.8636 13.3332 13.3332 13.5142 13.5142 13.7929 13.7929 14.3337 14.3337 14.4888 14.4888 15.5865 15.5865 16.0903 16.0903 17.1311 17.1311 17.4200 17.4200 18.8311 18.8311 k = 0.5000 0.2219 0.0871 ( 4786 PWs) bands (ev): -77.8065 -77.8065 -77.7753 -77.7753 -44.7194 -44.7194 -44.6255 -44.6255 -31.4714 -31.4714 -31.1360 -31.1360 -31.0965 -31.0965 -31.0750 -31.0750 -13.1745 -13.1745 0.0124 0.0124 1.1878 1.1878 2.4159 2.4159 2.7753 2.7753 2.8524 2.8524 7.8632 7.8632 8.2286 8.2286 8.4702 8.4702 8.6102 8.6102 8.6876 8.6876 10.5597 10.5597 10.6736 10.6736 11.8553 11.8553 13.3680 13.3680 13.5327 13.5327 13.7879 13.7879 14.3766 14.3766 14.4830 14.4830 15.5689 15.5689 16.0697 16.0697 17.1932 17.1932 17.4182 17.4182 18.8707 18.8707 k = 0.5000 0.2219 0.0654 ( 4790 PWs) bands (ev): -77.8065 -77.8065 -77.7752 -77.7752 -44.7196 -44.7196 -44.6253 -44.6253 -31.4724 -31.4724 -31.1362 -31.1362 -31.0953 -31.0953 -31.0749 -31.0749 -13.1753 -13.1753 0.0099 0.0099 1.1860 1.1860 2.4330 2.4330 2.7750 2.7750 2.8359 2.8359 7.8516 7.8516 8.2474 8.2474 8.4779 8.4779 8.5984 8.5984 8.6520 8.6520 10.5787 10.5787 10.6876 10.6876 11.8486 11.8486 13.3972 13.3972 13.5448 13.5448 13.7829 13.7829 14.4114 14.4114 14.4801 14.4801 15.5538 15.5538 16.0537 16.0537 17.2395 17.2395 17.4232 17.4232 18.9023 18.9023 k = 0.5000 0.2219 0.0436 ( 4790 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7198 -44.7198 -44.6251 -44.6251 -31.4730 -31.4730 -31.1363 -31.1363 -31.0945 -31.0945 -31.0748 -31.0748 -13.1758 -13.1758 0.0081 0.0081 1.1848 1.1848 2.4462 2.4462 2.7741 2.7741 2.8236 2.8236 7.8432 7.8432 8.2609 8.2609 8.4921 8.4921 8.5870 8.5870 8.6208 8.6208 10.5922 10.5922 10.6981 10.6981 11.8435 11.8435 13.4199 13.4199 13.5514 13.5514 13.7788 13.7788 14.4362 14.4362 14.4801 14.4801 15.5422 15.5422 16.0424 16.0424 17.2685 17.2685 17.4336 17.4336 18.9256 18.9256 k = 0.5000 0.2219 0.0218 ( 4788 PWs) bands (ev): -77.8066 -77.8066 -77.7751 -77.7751 -44.7199 -44.7199 -44.6250 -44.6250 -31.4734 -31.4734 -31.1364 -31.1364 -31.0940 -31.0940 -31.0747 -31.0747 -13.1761 -13.1761 0.0070 0.0070 1.1841 1.1841 2.4547 2.4547 2.7731 2.7731 2.8162 2.8162 7.8381 7.8381 8.2690 8.2690 8.5113 8.5113 8.5698 8.5698 8.6019 8.6019 10.6002 10.6002 10.7046 10.7046 11.8404 11.8404 13.4347 13.4347 13.5541 13.5541 13.7762 13.7762 14.4495 14.4495 14.4824 14.4824 15.5350 15.5350 16.0356 16.0356 17.2831 17.2831 17.4440 17.4440 18.9399 18.9399 k = 0.5000 0.2219 0.0000 ( 4788 PWs) bands (ev): -77.8067 -77.8067 -77.7750 -77.7750 -44.7199 -44.7199 -44.6250 -44.6250 -31.4735 -31.4735 -31.1364 -31.1364 -31.0939 -31.0939 -31.0747 -31.0747 -13.1762 -13.1762 0.0067 0.0067 1.1838 1.1838 2.4576 2.4576 2.7726 2.7726 2.8137 2.8137 7.8365 7.8365 8.2716 8.2716 8.5262 8.5262 8.5542 8.5542 8.5970 8.5970 10.6029 10.6029 10.7068 10.7068 11.8393 11.8393 13.4399 13.4399 13.5546 13.5546 13.7753 13.7753 14.4532 14.4532 14.4839 14.4839 15.5325 15.5325 16.0333 16.0333 17.2874 17.2874 17.4484 17.4484 18.9447 18.9447 k = 0.0000 0.0000 1.2324 ( 4840 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0973 2.0973 3.1274 3.1274 3.3052 3.3052 6.8413 6.8413 7.0602 7.0602 9.7285 9.7285 9.9965 9.9965 10.2244 10.2244 10.4999 10.4999 10.6686 10.6686 10.8730 10.8730 11.1986 11.1986 12.3424 12.3424 12.4934 12.4934 12.9867 12.9867 13.0583 13.0583 13.4620 13.4620 15.7672 15.7672 15.9291 15.9291 18.7520 18.7520 18.9680 18.9680 k = 0.0192 0.0085 1.2324 ( 4840 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0346 -31.0346 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0972 2.0972 3.1274 3.1274 3.3052 3.3052 6.8420 6.8420 7.0593 7.0593 9.7292 9.7292 9.9951 9.9951 10.2259 10.2259 10.4998 10.4998 10.6678 10.6678 10.8723 10.8723 11.1993 11.1993 12.3417 12.3417 12.4966 12.4966 12.9864 12.9864 13.0586 13.0586 13.4591 13.4591 15.7678 15.7678 15.9288 15.9288 18.7556 18.7556 18.9697 18.9697 k = 0.0385 0.0171 1.2324 ( 4836 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0972 2.0972 3.1275 3.1275 3.3051 3.3051 6.8443 6.8443 7.0568 7.0568 9.7312 9.7312 9.9910 9.9910 10.2303 10.2303 10.4994 10.4994 10.6655 10.6655 10.8703 10.8703 11.2013 11.2013 12.3395 12.3395 12.5058 12.5058 12.9855 12.9855 13.0595 13.0595 13.4506 13.4506 15.7699 15.7699 15.9280 15.9280 18.7666 18.7666 18.9745 18.9745 k = 0.0577 0.0256 1.2324 ( 4834 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0972 2.0972 3.1276 3.1276 3.3050 3.3050 6.8480 6.8480 7.0526 7.0526 9.7345 9.7345 9.9845 9.9845 10.2372 10.2372 10.4986 10.4986 10.6622 10.6622 10.8669 10.8669 11.2045 11.2045 12.3364 12.3364 12.5205 12.5205 12.9839 12.9839 13.0611 13.0611 13.4368 13.4368 15.7733 15.7733 15.9266 15.9266 18.7847 18.7847 18.9826 18.9826 k = 0.0769 0.0341 1.2324 ( 4838 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0972 2.0972 3.1278 3.1278 3.3048 3.3048 6.8532 6.8532 7.0468 7.0468 9.7390 9.7390 9.9760 9.9760 10.2463 10.2463 10.4970 10.4970 10.6582 10.6582 10.8622 10.8622 11.2087 11.2087 12.3326 12.3326 12.5399 12.5399 12.9816 12.9816 13.0632 13.0632 13.4180 13.4180 15.7779 15.7779 15.9247 15.9247 18.8097 18.8097 18.9937 18.9937 k = 0.0962 0.0427 1.2324 ( 4836 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6744 -44.6744 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0971 2.0971 3.1280 3.1280 3.3046 3.3046 6.8597 6.8597 7.0395 7.0395 9.7446 9.7446 9.9661 9.9661 10.2572 10.2572 10.4941 10.4941 10.6545 10.6545 10.8562 10.8562 11.2137 11.2137 12.3287 12.3287 12.5635 12.5635 12.9786 12.9786 13.0661 13.0661 13.3949 13.3949 15.7834 15.7834 15.9223 15.9223 18.8414 18.8414 19.0079 19.0079 k = 0.1154 0.0512 1.2324 ( 4824 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0971 2.0971 3.1282 3.1282 3.3044 3.3044 6.8675 6.8675 7.0309 7.0309 9.7513 9.7513 9.9551 9.9551 10.2695 10.2695 10.4896 10.4896 10.6517 10.6517 10.8493 10.8493 11.2192 11.2192 12.3247 12.3247 12.5903 12.5903 12.9747 12.9747 13.0698 13.0698 13.3682 13.3682 15.7895 15.7895 15.9195 15.9195 18.8793 18.8793 19.0248 19.0248 k = 0.1346 0.0598 1.2324 ( 4822 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0971 2.0971 3.1284 3.1284 3.3042 3.3042 6.8766 6.8766 7.0210 7.0210 9.7588 9.7588 9.9435 9.9435 10.2827 10.2827 10.4832 10.4832 10.6501 10.6501 10.8416 10.8416 11.2248 11.2248 12.3210 12.3210 12.6194 12.6194 12.9697 12.9697 13.0745 13.0745 13.3388 13.3388 15.7961 15.7961 15.9163 15.9163 18.9229 18.9229 19.0443 19.0443 k = 0.1538 0.0683 1.2324 ( 4822 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0501 -0.0501 1.6780 1.6780 2.0970 2.0970 3.1287 3.1287 3.3040 3.3040 6.8866 6.8866 7.0102 7.0102 9.7669 9.7669 9.9317 9.9317 10.2965 10.2965 10.4749 10.4749 10.6500 10.6500 10.8335 10.8335 11.2303 11.2303 12.3177 12.3177 12.6499 12.6499 12.9636 12.9636 13.0803 13.0803 13.3079 13.3079 15.8028 15.8028 15.9128 15.9128 18.9715 18.9715 19.0660 19.0660 k = 0.1731 0.0768 1.2324 ( 4826 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6745 -44.6745 -44.6743 -44.6743 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0970 2.0970 3.1289 3.1289 3.3037 3.3037 6.8976 6.8976 6.9984 6.9984 9.7752 9.7752 9.9202 9.9202 10.3105 10.3105 10.4651 10.4651 10.6512 10.6512 10.8256 10.8256 11.2352 11.2352 12.3148 12.3148 12.6804 12.6804 12.9564 12.9564 13.0873 13.0873 13.2767 13.2767 15.8093 15.8093 15.9093 15.9093 19.0243 19.0243 19.0894 19.0894 k = 0.1923 0.0854 1.2324 ( 4822 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0969 2.0969 3.1290 3.1290 3.3036 3.3036 6.9094 6.9094 6.9861 6.9861 9.7832 9.7832 9.9096 9.9096 10.3240 10.3240 10.4546 10.4546 10.6533 10.6533 10.8184 10.8184 11.2394 11.2394 12.3124 12.3124 12.7091 12.7091 12.9483 12.9483 13.0957 13.0957 13.2469 13.2469 15.8151 15.8151 15.9059 15.9059 19.0798 19.0798 19.1139 19.1139 k = 0.2115 0.0939 1.2324 ( 4826 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6744 -44.6744 -44.6743 -44.6743 -31.3649 -31.3649 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0969 2.0969 3.1292 3.1292 3.3034 3.3034 6.9216 6.9216 6.9734 6.9734 9.7903 9.7903 9.9007 9.9007 10.3360 10.3360 10.4445 10.4445 10.6555 10.6555 10.8126 10.8126 11.2425 11.2425 12.3107 12.3107 12.7337 12.7337 12.9401 12.9401 13.1051 13.1051 13.2205 13.2205 15.8199 15.8199 15.9030 15.9030 19.1348 19.1348 19.1378 19.1378 k = 0.2308 0.1024 1.2324 ( 4816 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6743 -44.6743 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0969 2.0969 3.1293 3.1293 3.3034 3.3034 6.9339 6.9339 6.9608 6.9608 9.7953 9.7953 9.8945 9.8945 10.3448 10.3448 10.4367 10.4367 10.6571 10.6571 10.8088 10.8088 11.2445 11.2445 12.3096 12.3096 12.7508 12.7508 12.9337 12.9337 13.1139 13.1139 13.2006 13.2006 15.8231 15.8231 15.9009 15.9009 19.1579 19.1579 19.1802 19.1802 k = 0.2500 0.1110 1.2324 ( 4816 PWs) bands (ev): -77.7908 -77.7908 -77.7908 -77.7908 -44.6743 -44.6743 -44.6743 -44.6743 -31.3648 -31.3648 -31.3643 -31.3643 -31.0350 -31.0350 -31.0345 -31.0345 -13.0427 -13.0427 -0.0500 -0.0500 1.6780 1.6780 2.0969 2.0969 3.1293 3.1293 3.3033 3.3033 6.9412 6.9412 6.9535 6.9535 9.7972 9.7972 9.8922 9.8922 10.3482 10.3482 10.4337 10.4337 10.6578 10.6578 10.8074 10.8074 11.2452 11.2452 12.3093 12.3093 12.7571 12.7571 12.9311 12.9311 13.1178 13.1178 13.1928 13.1928 15.8244 15.8244 15.9001 15.9001 19.1667 19.1667 19.1978 19.1978 Writing output data file BaxPIrx2.save init_run : 0.49s CPU 0.69s WALL ( 1 calls) electrons : 300.15s CPU 303.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 300.14s CPU 303.45s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 347 calls) cegterg : 273.51s CPU 276.13s WALL ( 357 calls) Called by sum_band: Called by *egterg: h_psi : 204.46s CPU 206.38s WALL ( 6528 calls) s_psi : 8.60s CPU 8.60s WALL ( 6528 calls) g_psi : 0.30s CPU 0.30s WALL ( 5824 calls) cdiaghg : 60.93s CPU 61.75s WALL ( 6171 calls) cegterg:over : 8.80s CPU 8.84s WALL ( 5824 calls) cegterg:upda : 6.89s CPU 7.09s WALL ( 5824 calls) cegterg:last : 3.80s CPU 3.86s WALL ( 1051 calls) cdiaghg:chol : 3.52s CPU 3.55s WALL ( 6171 calls) cdiaghg:inve : 2.56s CPU 2.50s WALL ( 6171 calls) cdiaghg:para : 4.04s CPU 4.13s WALL ( 12342 calls) Called by h_psi: h_psi:vloc : 187.77s CPU 189.37s WALL ( 6528 calls) h_psi:vnl : 16.40s CPU 16.70s WALL ( 6528 calls) add_vuspsi : 8.90s CPU 8.96s WALL ( 6528 calls) General routines calbec : 7.48s CPU 7.72s WALL ( 6528 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 174.60s CPU 176.26s WALL ( 883468 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.29s WALL ( 694 calls) Parallel routines fft_scatter : 52.12s CPU 52.46s WALL ( 883491 calls) PWSCF : 5m23.29s CPU 5m47.02s WALL This run was terminated on: 14:18:50 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=