Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:24:36 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: ./Ba2HfS4.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 113 81 23 2540 1545 239 Max 114 82 24 2543 1566 240 Sum 4097 2939 853 91521 55979 8627 bravais-lattice index = 14 lattice parameter (alat) = 16.3030 a.u. unit-cell volume = 1249.2855 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.302975 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.842993 celldm(5)= -0.842993 celldm(6)= 0.685986 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.685986 0.727615 0.000000 ) a(3) = ( -0.842993 -0.363807 0.396241 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.942787 1.261858 ) b(2) = ( 0.000000 1.374354 1.261858 ) b(3) = ( 0.000000 0.000000 2.523716 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hf 12.00 178.49000 Hf( 1.00) Ba 10.00 137.32700 Ba( 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= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0274317), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0548634), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0822951), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.1097268), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.1371585), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.1645902), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.1920219), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.2194535), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.2468853), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.2743169), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.3017486), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.3291803), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.3566120), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.3840437), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.4114754), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.4389071), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.4663388), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.4937705), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.5212022), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.5486339), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.5760656), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.6034973), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.6309290), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.6583607), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.6857923), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.7132241), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.7406557), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.7680874), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.7955191), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.8229508), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.8503825), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.8778142), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.9052459), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.9326776), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.9601093), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.9875410), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 1.0149727), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 1.0424044), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 1.0698361), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 1.0972678), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 1.1246994), wk = 0.0035088 k( 43) = ( 0.0000000 0.0000000 1.1521311), wk = 0.0035088 k( 44) = ( 0.0000000 0.0000000 1.1795628), wk = 0.0035088 k( 45) = ( 0.0000000 0.0000000 1.2069945), wk = 0.0035088 k( 46) = ( 0.0000000 0.0000000 1.2344262), wk = 0.0035088 k( 47) = ( 0.0000000 0.0000000 1.2618579), wk = 0.0035088 k( 48) = ( 0.0000000 0.0000000 1.2618579), wk = 0.0035088 k( 49) = ( -0.0093125 0.0215783 1.2618579), wk = 0.0035088 k( 50) = ( -0.0186250 0.0431566 1.2618579), wk = 0.0035088 k( 51) = ( -0.0279374 0.0647350 1.2618579), wk = 0.0035088 k( 52) = ( -0.0372499 0.0863133 1.2618579), wk = 0.0035088 k( 53) = ( -0.0465624 0.1078916 1.2618579), wk = 0.0035088 k( 54) = ( -0.0465624 0.1078916 1.2618579), wk = 0.0035088 k( 55) = ( -0.0541197 0.1254029 1.2427855), wk = 0.0035088 k( 56) = ( -0.0616770 0.1429142 1.2237130), wk = 0.0035088 k( 57) = ( -0.0692343 0.1604255 1.2046405), wk = 0.0035088 k( 58) = ( -0.0767916 0.1779368 1.1855681), wk = 0.0035088 k( 59) = ( -0.0843489 0.1954482 1.1664956), wk = 0.0035088 k( 60) = ( -0.0919061 0.2129595 1.1474232), wk = 0.0035088 k( 61) = ( -0.0994634 0.2304708 1.1283507), wk = 0.0035088 k( 62) = ( -0.1070207 0.2479821 1.1092782), wk = 0.0035088 k( 63) = ( -0.1145780 0.2654934 1.0902058), wk = 0.0035088 k( 64) = ( -0.1221353 0.2830047 1.0711333), wk = 0.0035088 k( 65) = ( -0.1296926 0.3005160 1.0520608), wk = 0.0035088 k( 66) = ( -0.1372499 0.3180273 1.0329884), wk = 0.0035088 k( 67) = ( -0.1448072 0.3355387 1.0139159), wk = 0.0035088 k( 68) = ( -0.1523645 0.3530500 0.9948435), wk = 0.0035088 k( 69) = ( -0.1599218 0.3705613 0.9757710), wk = 0.0035088 k( 70) = ( -0.1674791 0.3880726 0.9566985), wk = 0.0035088 k( 71) = ( -0.1750364 0.4055839 0.9376261), wk = 0.0035088 k( 72) = ( -0.1825937 0.4230952 0.9185536), wk = 0.0035088 k( 73) = ( -0.1901510 0.4406066 0.8994811), wk = 0.0035088 k( 74) = ( -0.1977083 0.4581179 0.8804087), wk = 0.0035088 k( 75) = ( -0.2052655 0.4756292 0.8613362), wk = 0.0035088 k( 76) = ( -0.2128228 0.4931405 0.8422638), wk = 0.0035088 k( 77) = ( -0.2203801 0.5106518 0.8231913), wk = 0.0035088 k( 78) = ( -0.2279374 0.5281631 0.8041188), wk = 0.0035088 k( 79) = ( -0.2354947 0.5456744 0.7850464), wk = 0.0035088 k( 80) = ( -0.2430520 0.5631857 0.7659739), wk = 0.0035088 k( 81) = ( -0.2506093 0.5806971 0.7469014), wk = 0.0035088 k( 82) = ( -0.2581666 0.5982084 0.7278290), wk = 0.0035088 k( 83) = ( -0.2657239 0.6157197 0.7087565), wk = 0.0035088 k( 84) = ( -0.2732812 0.6332310 0.6896841), wk = 0.0035088 k( 85) = ( -0.2732812 0.6332310 0.6896841), wk = 0.0035088 k( 86) = ( -0.2656900 0.6156412 0.6705262), wk = 0.0035088 k( 87) = ( -0.2580989 0.5980515 0.6513683), wk = 0.0035088 k( 88) = ( -0.2505078 0.5804618 0.6322104), wk = 0.0035088 k( 89) = ( -0.2429166 0.5628720 0.6130525), wk = 0.0035088 k( 90) = ( -0.2353255 0.5452823 0.5938946), wk = 0.0035088 k( 91) = ( -0.2277343 0.5276925 0.5747367), wk = 0.0035088 k( 92) = ( -0.2201432 0.5101028 0.5555788), wk = 0.0035088 k( 93) = ( -0.2125520 0.4925130 0.5364209), wk = 0.0035088 k( 94) = ( -0.2049609 0.4749232 0.5172630), wk = 0.0035088 k( 95) = ( -0.1973698 0.4573335 0.4981052), wk = 0.0035088 k( 96) = ( -0.1897786 0.4397437 0.4789473), wk = 0.0035088 k( 97) = ( -0.1821875 0.4221540 0.4597894), wk = 0.0035088 k( 98) = ( -0.1745963 0.4045643 0.4406315), wk = 0.0035088 k( 99) = ( -0.1670052 0.3869745 0.4214736), wk = 0.0035088 k( 100) = ( -0.1594140 0.3693848 0.4023157), wk = 0.0035088 k( 101) = ( -0.1518229 0.3517950 0.3831578), wk = 0.0035088 k( 102) = ( -0.1442317 0.3342053 0.3639999), wk = 0.0035088 k( 103) = ( -0.1366406 0.3166155 0.3448420), wk = 0.0035088 k( 104) = ( -0.1290495 0.2990257 0.3256841), wk = 0.0035088 k( 105) = ( -0.1214583 0.2814360 0.3065263), wk = 0.0035088 k( 106) = ( -0.1138672 0.2638462 0.2873684), wk = 0.0035088 k( 107) = ( -0.1062760 0.2462565 0.2682105), wk = 0.0035088 k( 108) = ( -0.0986849 0.2286667 0.2490526), wk = 0.0035088 k( 109) = ( -0.0910937 0.2110770 0.2298947), wk = 0.0035088 k( 110) = ( -0.0835026 0.1934873 0.2107368), wk = 0.0035088 k( 111) = ( -0.0759114 0.1758975 0.1915789), wk = 0.0035088 k( 112) = ( -0.0683203 0.1583078 0.1724210), wk = 0.0035088 k( 113) = ( -0.0607292 0.1407180 0.1532631), wk = 0.0035088 k( 114) = ( -0.0531380 0.1231283 0.1341052), wk = 0.0035088 k( 115) = ( -0.0455469 0.1055385 0.1149473), wk = 0.0035088 k( 116) = ( -0.0379557 0.0879487 0.0957895), wk = 0.0035088 k( 117) = ( -0.0303646 0.0703590 0.0766316), wk = 0.0035088 k( 118) = ( -0.0227734 0.0527692 0.0574737), wk = 0.0035088 k( 119) = ( -0.0151823 0.0351795 0.0383158), wk = 0.0035088 k( 120) = ( -0.0075911 0.0175897 0.0191579), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 123) = ( 0.0250000 0.0107892 -0.0000000), wk = 0.0035088 k( 124) = ( 0.0500000 0.0215783 -0.0000000), wk = 0.0035088 k( 125) = ( 0.0750000 0.0323675 -0.0000000), wk = 0.0035088 k( 126) = ( 0.1000000 0.0431566 -0.0000000), wk = 0.0035088 k( 127) = ( 0.1250000 0.0539458 -0.0000000), wk = 0.0035088 k( 128) = ( 0.1500000 0.0647350 -0.0000000), wk = 0.0035088 k( 129) = ( 0.1750000 0.0755241 -0.0000000), wk = 0.0035088 k( 130) = ( 0.2000000 0.0863133 -0.0000000), wk = 0.0035088 k( 131) = ( 0.2250000 0.0971024 -0.0000000), wk = 0.0035088 k( 132) = ( 0.2500000 0.1078916 -0.0000000), wk = 0.0035088 k( 133) = ( 0.2750000 0.1186807 -0.0000000), wk = 0.0035088 k( 134) = ( 0.3000000 0.1294699 -0.0000000), wk = 0.0035088 k( 135) = ( 0.3250000 0.1402591 -0.0000000), wk = 0.0035088 k( 136) = ( 0.3500000 0.1510482 -0.0000000), wk = 0.0035088 k( 137) = ( 0.3750000 0.1618374 -0.0000000), wk = 0.0035088 k( 138) = ( 0.4000000 0.1726265 -0.0000000), wk = 0.0035088 k( 139) = ( 0.4250000 0.1834157 -0.0000000), wk = 0.0035088 k( 140) = ( 0.4500000 0.1942049 -0.0000000), wk = 0.0035088 k( 141) = ( 0.4750000 0.2049940 -0.0000000), wk = 0.0035088 k( 142) = ( 0.5000000 0.2157832 -0.0000000), wk = 0.0035088 k( 143) = ( 0.5000000 0.2157832 -0.0000000), wk = 0.0035088 k( 144) = ( 0.4924427 0.2332945 0.0190725), wk = 0.0035088 k( 145) = ( 0.4848854 0.2508058 0.0381449), wk = 0.0035088 k( 146) = ( 0.4773281 0.2683171 0.0572174), wk = 0.0035088 k( 147) = ( 0.4697708 0.2858284 0.0762898), wk = 0.0035088 k( 148) = ( 0.4622135 0.3033397 0.0953623), wk = 0.0035088 k( 149) = ( 0.4546562 0.3208511 0.1144348), wk = 0.0035088 k( 150) = ( 0.4470989 0.3383624 0.1335072), wk = 0.0035088 k( 151) = ( 0.4395417 0.3558737 0.1525797), wk = 0.0035088 k( 152) = ( 0.4319844 0.3733850 0.1716521), wk = 0.0035088 k( 153) = ( 0.4244271 0.3908963 0.1907246), wk = 0.0035088 k( 154) = ( 0.4168698 0.4084076 0.2097971), wk = 0.0035088 k( 155) = ( 0.4093125 0.4259189 0.2288695), wk = 0.0035088 k( 156) = ( 0.4017552 0.4434303 0.2479420), wk = 0.0035088 k( 157) = ( 0.3941979 0.4609416 0.2670145), wk = 0.0035088 k( 158) = ( 0.3866406 0.4784529 0.2860869), wk = 0.0035088 k( 159) = ( 0.3790833 0.4959642 0.3051594), wk = 0.0035088 k( 160) = ( 0.3715260 0.5134755 0.3242318), wk = 0.0035088 k( 161) = ( 0.3639687 0.5309868 0.3433043), wk = 0.0035088 k( 162) = ( 0.3564114 0.5484981 0.3623768), wk = 0.0035088 k( 163) = ( 0.3488541 0.5660094 0.3814492), wk = 0.0035088 k( 164) = ( 0.3412968 0.5835208 0.4005217), wk = 0.0035088 k( 165) = ( 0.3337395 0.6010321 0.4195942), wk = 0.0035088 k( 166) = ( 0.3261822 0.6185434 0.4386666), wk = 0.0035088 k( 167) = ( 0.3186250 0.6360547 0.4577391), wk = 0.0035088 k( 168) = ( 0.3110677 0.6535660 0.4768115), wk = 0.0035088 k( 169) = ( 0.3035104 0.6710773 0.4958840), wk = 0.0035088 k( 170) = ( 0.2959531 0.6885886 0.5149565), wk = 0.0035088 k( 171) = ( 0.2883958 0.7061000 0.5340289), wk = 0.0035088 k( 172) = ( 0.2808385 0.7236113 0.5531014), wk = 0.0035088 k( 173) = ( 0.2732812 0.7411226 0.5721739), wk = 0.0035088 k( 174) = ( 0.2732812 0.7411226 0.5721739), wk = 0.0035088 k( 175) = ( 0.2484374 0.7362184 0.5775152), wk = 0.0035088 k( 176) = ( 0.2235937 0.7313143 0.5828566), wk = 0.0035088 k( 177) = ( 0.1987500 0.7264101 0.5881980), wk = 0.0035088 k( 178) = ( 0.1739062 0.7215059 0.5935394), wk = 0.0035088 k( 179) = ( 0.1490625 0.7166018 0.5988807), wk = 0.0035088 k( 180) = ( 0.1242187 0.7116976 0.6042221), wk = 0.0035088 k( 181) = ( 0.0993750 0.7067934 0.6095635), wk = 0.0035088 k( 182) = ( 0.0745312 0.7018893 0.6149048), wk = 0.0035088 k( 183) = ( 0.0496875 0.6969851 0.6202462), wk = 0.0035088 k( 184) = ( 0.0248437 0.6920810 0.6255876), wk = 0.0035088 k( 185) = ( 0.0000000 0.6871768 0.6309290), wk = 0.0035088 k( 186) = ( 0.0000000 0.6871768 0.6309290), wk = 0.0035088 k( 187) = ( 0.0075758 0.6696227 0.6500480), wk = 0.0035088 k( 188) = ( 0.0151515 0.6520686 0.6691671), wk = 0.0035088 k( 189) = ( 0.0227273 0.6345145 0.6882861), wk = 0.0035088 k( 190) = ( 0.0303030 0.6169604 0.7074052), wk = 0.0035088 k( 191) = ( 0.0378788 0.5994063 0.7265243), wk = 0.0035088 k( 192) = ( 0.0454546 0.5818522 0.7456433), wk = 0.0035088 k( 193) = ( 0.0530303 0.5642981 0.7647624), wk = 0.0035088 k( 194) = ( 0.0606061 0.5467440 0.7838814), wk = 0.0035088 k( 195) = ( 0.0681818 0.5291899 0.8030005), wk = 0.0035088 k( 196) = ( 0.0757576 0.5116358 0.8221196), wk = 0.0035088 k( 197) = ( 0.0833333 0.4940817 0.8412386), wk = 0.0035088 k( 198) = ( 0.0909091 0.4765276 0.8603577), wk = 0.0035088 k( 199) = ( 0.0984848 0.4589735 0.8794767), wk = 0.0035088 k( 200) = ( 0.1060606 0.4414194 0.8985958), wk = 0.0035088 k( 201) = ( 0.1136364 0.4238653 0.9177148), wk = 0.0035088 k( 202) = ( 0.1212121 0.4063112 0.9368339), wk = 0.0035088 k( 203) = ( 0.1287879 0.3887571 0.9559530), wk = 0.0035088 k( 204) = ( 0.1363636 0.3712030 0.9750720), wk = 0.0035088 k( 205) = ( 0.1439394 0.3536490 0.9941911), wk = 0.0035088 k( 206) = ( 0.1515151 0.3360949 1.0133101), wk = 0.0035088 k( 207) = ( 0.1590909 0.3185408 1.0324292), wk = 0.0035088 k( 208) = ( 0.1666667 0.3009866 1.0515483), wk = 0.0035088 k( 209) = ( 0.1742424 0.2834326 1.0706673), wk = 0.0035088 k( 210) = ( 0.1818182 0.2658785 1.0897864), wk = 0.0035088 k( 211) = ( 0.1893939 0.2483244 1.1089054), wk = 0.0035088 k( 212) = ( 0.1969697 0.2307703 1.1280245), wk = 0.0035088 k( 213) = ( 0.2045454 0.2132162 1.1471436), wk = 0.0035088 k( 214) = ( 0.2121212 0.1956621 1.1662626), wk = 0.0035088 k( 215) = ( 0.2196970 0.1781080 1.1853817), wk = 0.0035088 k( 216) = ( 0.2272727 0.1605539 1.2045007), wk = 0.0035088 k( 217) = ( 0.2348485 0.1429998 1.2236198), wk = 0.0035088 k( 218) = ( 0.2424242 0.1254457 1.2427389), wk = 0.0035088 k( 219) = ( 0.2500000 0.1078916 1.2618579), wk = 0.0035088 k( 220) = ( 0.2500000 0.1078916 1.2618579), wk = 0.0035088 k( 221) = ( 0.2727273 0.1176999 1.2511752), wk = 0.0035088 k( 222) = ( 0.2954545 0.1275082 1.2404924), wk = 0.0035088 k( 223) = ( 0.3181818 0.1373166 1.2298097), wk = 0.0035088 k( 224) = ( 0.3409091 0.1471249 1.2191269), wk = 0.0035088 k( 225) = ( 0.3636364 0.1569332 1.2084442), wk = 0.0035088 k( 226) = ( 0.3863636 0.1667415 1.1977614), wk = 0.0035088 k( 227) = ( 0.4090909 0.1765499 1.1870787), wk = 0.0035088 k( 228) = ( 0.4318182 0.1863582 1.1763959), wk = 0.0035088 k( 229) = ( 0.4545455 0.1961665 1.1657132), wk = 0.0035088 k( 230) = ( 0.4772727 0.2059748 1.1550305), wk = 0.0035088 k( 231) = ( 0.5000000 0.2157832 1.1443477), wk = 0.0035088 k( 232) = ( 0.5000000 0.2157832 1.1443477), wk = 0.0035088 k( 233) = ( 0.5000000 0.2157832 1.1171013), wk = 0.0035088 k( 234) = ( 0.5000000 0.2157832 1.0898549), wk = 0.0035088 k( 235) = ( 0.5000000 0.2157832 1.0626086), wk = 0.0035088 k( 236) = ( 0.5000000 0.2157832 1.0353622), wk = 0.0035088 k( 237) = ( 0.5000000 0.2157832 1.0081158), wk = 0.0035088 k( 238) = ( 0.5000000 0.2157832 0.9808695), wk = 0.0035088 k( 239) = ( 0.5000000 0.2157832 0.9536231), wk = 0.0035088 k( 240) = ( 0.5000000 0.2157832 0.9263767), wk = 0.0035088 k( 241) = ( 0.5000000 0.2157832 0.8991303), wk = 0.0035088 k( 242) = ( 0.5000000 0.2157832 0.8718840), wk = 0.0035088 k( 243) = ( 0.5000000 0.2157832 0.8446376), wk = 0.0035088 k( 244) = ( 0.5000000 0.2157832 0.8173912), wk = 0.0035088 k( 245) = ( 0.5000000 0.2157832 0.7901448), wk = 0.0035088 k( 246) = ( 0.5000000 0.2157832 0.7628985), wk = 0.0035088 k( 247) = ( 0.5000000 0.2157832 0.7356521), wk = 0.0035088 k( 248) = ( 0.5000000 0.2157832 0.7084057), wk = 0.0035088 k( 249) = ( 0.5000000 0.2157832 0.6811594), wk = 0.0035088 k( 250) = ( 0.5000000 0.2157832 0.6539130), wk = 0.0035088 k( 251) = ( 0.5000000 0.2157832 0.6266666), wk = 0.0035088 k( 252) = ( 0.5000000 0.2157832 0.5994202), wk = 0.0035088 k( 253) = ( 0.5000000 0.2157832 0.5721739), wk = 0.0035088 k( 254) = ( 0.5000000 0.2157832 0.5449275), wk = 0.0035088 k( 255) = ( 0.5000000 0.2157832 0.5176811), wk = 0.0035088 k( 256) = ( 0.5000000 0.2157832 0.4904347), wk = 0.0035088 k( 257) = ( 0.5000000 0.2157832 0.4631884), wk = 0.0035088 k( 258) = ( 0.5000000 0.2157832 0.4359420), wk = 0.0035088 k( 259) = ( 0.5000000 0.2157832 0.4086956), wk = 0.0035088 k( 260) = ( 0.5000000 0.2157832 0.3814492), wk = 0.0035088 k( 261) = ( 0.5000000 0.2157832 0.3542029), wk = 0.0035088 k( 262) = ( 0.5000000 0.2157832 0.3269565), wk = 0.0035088 k( 263) = ( 0.5000000 0.2157832 0.2997101), wk = 0.0035088 k( 264) = ( 0.5000000 0.2157832 0.2724637), wk = 0.0035088 k( 265) = ( 0.5000000 0.2157832 0.2452174), wk = 0.0035088 k( 266) = ( 0.5000000 0.2157832 0.2179710), wk = 0.0035088 k( 267) = ( 0.5000000 0.2157832 0.1907246), wk = 0.0035088 k( 268) = ( 0.5000000 0.2157832 0.1634782), wk = 0.0035088 k( 269) = ( 0.5000000 0.2157832 0.1362319), wk = 0.0035088 k( 270) = ( 0.5000000 0.2157832 0.1089855), wk = 0.0035088 k( 271) = ( 0.5000000 0.2157832 0.0817391), wk = 0.0035088 k( 272) = ( 0.5000000 0.2157832 0.0544928), wk = 0.0035088 k( 273) = ( 0.5000000 0.2157832 0.0272464), wk = 0.0035088 k( 274) = ( 0.5000000 0.2157832 -0.0000000), wk = 0.0035088 k( 275) = ( 0.0000000 0.0000000 1.2618579), wk = 0.0035088 k( 276) = ( 0.0250000 0.0107892 1.2618579), wk = 0.0035088 k( 277) = ( 0.0500000 0.0215783 1.2618579), wk = 0.0035088 k( 278) = ( 0.0750000 0.0323675 1.2618579), wk = 0.0035088 k( 279) = ( 0.1000000 0.0431566 1.2618579), wk = 0.0035088 k( 280) = ( 0.1250000 0.0539458 1.2618579), wk = 0.0035088 k( 281) = ( 0.1500000 0.0647350 1.2618579), wk = 0.0035088 k( 282) = ( 0.1750000 0.0755241 1.2618579), wk = 0.0035088 k( 283) = ( 0.2000000 0.0863133 1.2618579), wk = 0.0035088 k( 284) = ( 0.2250000 0.0971024 1.2618579), wk = 0.0035088 k( 285) = ( 0.2500000 0.1078916 1.2618579), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.1413043), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0035088 k( 43) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0035088 k( 44) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0035088 k( 45) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0035088 k( 46) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0035088 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 48) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 49) = ( -0.0093125 0.0093125 0.5000000), wk = 0.0035088 k( 50) = ( -0.0186250 0.0186249 0.5000000), wk = 0.0035088 k( 51) = ( -0.0279374 0.0279374 0.5000000), wk = 0.0035088 k( 52) = ( -0.0372499 0.0372499 0.5000000), wk = 0.0035088 k( 53) = ( -0.0465624 0.0465624 0.5000000), wk = 0.0035088 k( 54) = ( -0.0465624 0.0465624 0.5000000), wk = 0.0035088 k( 55) = ( -0.0541197 0.0541197 0.4924427), wk = 0.0035088 k( 56) = ( -0.0616770 0.0616770 0.4848854), wk = 0.0035088 k( 57) = ( -0.0692343 0.0692343 0.4773281), wk = 0.0035088 k( 58) = ( -0.0767916 0.0767916 0.4697708), wk = 0.0035088 k( 59) = ( -0.0843489 0.0843489 0.4622135), wk = 0.0035088 k( 60) = ( -0.0919061 0.0919061 0.4546562), wk = 0.0035088 k( 61) = ( -0.0994634 0.0994634 0.4470989), wk = 0.0035088 k( 62) = ( -0.1070207 0.1070207 0.4395416), wk = 0.0035088 k( 63) = ( -0.1145780 0.1145780 0.4319844), wk = 0.0035088 k( 64) = ( -0.1221353 0.1221353 0.4244271), wk = 0.0035088 k( 65) = ( -0.1296926 0.1296926 0.4168698), wk = 0.0035088 k( 66) = ( -0.1372499 0.1372499 0.4093125), wk = 0.0035088 k( 67) = ( -0.1448072 0.1448072 0.4017552), wk = 0.0035088 k( 68) = ( -0.1523645 0.1523645 0.3941979), wk = 0.0035088 k( 69) = ( -0.1599218 0.1599218 0.3866406), wk = 0.0035088 k( 70) = ( -0.1674791 0.1674791 0.3790833), wk = 0.0035088 k( 71) = ( -0.1750364 0.1750364 0.3715260), wk = 0.0035088 k( 72) = ( -0.1825937 0.1825937 0.3639687), wk = 0.0035088 k( 73) = ( -0.1901510 0.1901510 0.3564114), wk = 0.0035088 k( 74) = ( -0.1977083 0.1977083 0.3488541), wk = 0.0035088 k( 75) = ( -0.2052655 0.2052656 0.3412968), wk = 0.0035088 k( 76) = ( -0.2128228 0.2128228 0.3337395), wk = 0.0035088 k( 77) = ( -0.2203801 0.2203801 0.3261822), wk = 0.0035088 k( 78) = ( -0.2279374 0.2279374 0.3186249), wk = 0.0035088 k( 79) = ( -0.2354947 0.2354947 0.3110677), wk = 0.0035088 k( 80) = ( -0.2430520 0.2430520 0.3035104), wk = 0.0035088 k( 81) = ( -0.2506093 0.2506093 0.2959531), wk = 0.0035088 k( 82) = ( -0.2581666 0.2581666 0.2883958), wk = 0.0035088 k( 83) = ( -0.2657239 0.2657239 0.2808385), wk = 0.0035088 k( 84) = ( -0.2732812 0.2732812 0.2732812), wk = 0.0035088 k( 85) = ( -0.2732812 0.2732812 0.2732812), wk = 0.0035088 k( 86) = ( -0.2656900 0.2656900 0.2656900), wk = 0.0035088 k( 87) = ( -0.2580989 0.2580989 0.2580989), wk = 0.0035088 k( 88) = ( -0.2505078 0.2505078 0.2505078), wk = 0.0035088 k( 89) = ( -0.2429166 0.2429166 0.2429166), wk = 0.0035088 k( 90) = ( -0.2353255 0.2353255 0.2353255), wk = 0.0035088 k( 91) = ( -0.2277343 0.2277343 0.2277343), wk = 0.0035088 k( 92) = ( -0.2201432 0.2201432 0.2201432), wk = 0.0035088 k( 93) = ( -0.2125520 0.2125520 0.2125520), wk = 0.0035088 k( 94) = ( -0.2049609 0.2049609 0.2049609), wk = 0.0035088 k( 95) = ( -0.1973698 0.1973697 0.1973697), wk = 0.0035088 k( 96) = ( -0.1897786 0.1897786 0.1897786), wk = 0.0035088 k( 97) = ( -0.1821875 0.1821875 0.1821875), wk = 0.0035088 k( 98) = ( -0.1745963 0.1745963 0.1745963), wk = 0.0035088 k( 99) = ( -0.1670052 0.1670052 0.1670052), wk = 0.0035088 k( 100) = ( -0.1594140 0.1594140 0.1594140), wk = 0.0035088 k( 101) = ( -0.1518229 0.1518229 0.1518229), wk = 0.0035088 k( 102) = ( -0.1442317 0.1442317 0.1442317), wk = 0.0035088 k( 103) = ( -0.1366406 0.1366406 0.1366406), wk = 0.0035088 k( 104) = ( -0.1290495 0.1290495 0.1290495), wk = 0.0035088 k( 105) = ( -0.1214583 0.1214583 0.1214583), wk = 0.0035088 k( 106) = ( -0.1138672 0.1138672 0.1138672), wk = 0.0035088 k( 107) = ( -0.1062760 0.1062760 0.1062760), wk = 0.0035088 k( 108) = ( -0.0986849 0.0986849 0.0986849), wk = 0.0035088 k( 109) = ( -0.0910937 0.0910937 0.0910937), wk = 0.0035088 k( 110) = ( -0.0835026 0.0835026 0.0835026), wk = 0.0035088 k( 111) = ( -0.0759114 0.0759114 0.0759114), wk = 0.0035088 k( 112) = ( -0.0683203 0.0683203 0.0683203), wk = 0.0035088 k( 113) = ( -0.0607292 0.0607291 0.0607291), wk = 0.0035088 k( 114) = ( -0.0531380 0.0531380 0.0531380), wk = 0.0035088 k( 115) = ( -0.0455469 0.0455469 0.0455469), wk = 0.0035088 k( 116) = ( -0.0379557 0.0379557 0.0379557), wk = 0.0035088 k( 117) = ( -0.0303646 0.0303646 0.0303646), wk = 0.0035088 k( 118) = ( -0.0227734 0.0227734 0.0227734), wk = 0.0035088 k( 119) = ( -0.0151823 0.0151823 0.0151823), wk = 0.0035088 k( 120) = ( -0.0075911 0.0075911 0.0075911), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 123) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0035088 k( 124) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0035088 k( 125) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0035088 k( 126) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0035088 k( 127) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0035088 k( 128) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0035088 k( 129) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0035088 k( 130) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0035088 k( 131) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0035088 k( 132) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035088 k( 133) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0035088 k( 134) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0035088 k( 135) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0035088 k( 136) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0035088 k( 137) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0035088 k( 138) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0035088 k( 139) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0035088 k( 140) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0035088 k( 141) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0035088 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 144) = ( 0.4924427 0.5075573 -0.4924427), wk = 0.0035088 k( 145) = ( 0.4848854 0.5151146 -0.4848854), wk = 0.0035088 k( 146) = ( 0.4773281 0.5226719 -0.4773281), wk = 0.0035088 k( 147) = ( 0.4697708 0.5302292 -0.4697708), wk = 0.0035088 k( 148) = ( 0.4622135 0.5377865 -0.4622135), wk = 0.0035088 k( 149) = ( 0.4546562 0.5453438 -0.4546562), wk = 0.0035088 k( 150) = ( 0.4470989 0.5529011 -0.4470989), wk = 0.0035088 k( 151) = ( 0.4395417 0.5604583 -0.4395416), wk = 0.0035088 k( 152) = ( 0.4319844 0.5680156 -0.4319844), wk = 0.0035088 k( 153) = ( 0.4244271 0.5755729 -0.4244271), wk = 0.0035088 k( 154) = ( 0.4168698 0.5831302 -0.4168698), wk = 0.0035088 k( 155) = ( 0.4093125 0.5906875 -0.4093125), wk = 0.0035088 k( 156) = ( 0.4017552 0.5982448 -0.4017552), wk = 0.0035088 k( 157) = ( 0.3941979 0.6058021 -0.3941979), wk = 0.0035088 k( 158) = ( 0.3866406 0.6133594 -0.3866406), wk = 0.0035088 k( 159) = ( 0.3790833 0.6209167 -0.3790833), wk = 0.0035088 k( 160) = ( 0.3715260 0.6284740 -0.3715260), wk = 0.0035088 k( 161) = ( 0.3639687 0.6360313 -0.3639687), wk = 0.0035088 k( 162) = ( 0.3564114 0.6435886 -0.3564114), wk = 0.0035088 k( 163) = ( 0.3488541 0.6511459 -0.3488541), wk = 0.0035088 k( 164) = ( 0.3412968 0.6587032 -0.3412968), wk = 0.0035088 k( 165) = ( 0.3337395 0.6662605 -0.3337395), wk = 0.0035088 k( 166) = ( 0.3261822 0.6738178 -0.3261822), wk = 0.0035088 k( 167) = ( 0.3186250 0.6813750 -0.3186250), wk = 0.0035088 k( 168) = ( 0.3110677 0.6889323 -0.3110677), wk = 0.0035088 k( 169) = ( 0.3035104 0.6964896 -0.3035104), wk = 0.0035088 k( 170) = ( 0.2959531 0.7040469 -0.2959531), wk = 0.0035088 k( 171) = ( 0.2883958 0.7116042 -0.2883958), wk = 0.0035088 k( 172) = ( 0.2808385 0.7191615 -0.2808385), wk = 0.0035088 k( 173) = ( 0.2732812 0.7267188 -0.2732812), wk = 0.0035088 k( 174) = ( 0.2732812 0.7267188 -0.2732812), wk = 0.0035088 k( 175) = ( 0.2484374 0.7061080 -0.2484374), wk = 0.0035088 k( 176) = ( 0.2235937 0.6854972 -0.2235937), wk = 0.0035088 k( 177) = ( 0.1987500 0.6648864 -0.1987500), wk = 0.0035088 k( 178) = ( 0.1739062 0.6442756 -0.1739062), wk = 0.0035088 k( 179) = ( 0.1490625 0.6236648 -0.1490625), wk = 0.0035088 k( 180) = ( 0.1242187 0.6030540 -0.1242187), wk = 0.0035088 k( 181) = ( 0.0993750 0.5824432 -0.0993750), wk = 0.0035088 k( 182) = ( 0.0745312 0.5618324 -0.0745312), wk = 0.0035088 k( 183) = ( 0.0496875 0.5412216 -0.0496875), wk = 0.0035088 k( 184) = ( 0.0248437 0.5206108 -0.0248437), wk = 0.0035088 k( 185) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 186) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 187) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0035088 k( 188) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0035088 k( 189) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0035088 k( 190) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0035088 k( 191) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0035088 k( 192) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0035088 k( 193) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0035088 k( 194) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0035088 k( 195) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0035088 k( 196) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0035088 k( 197) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0035088 k( 198) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0035088 k( 199) = ( 0.0984848 0.4015151 0.0984848), wk = 0.0035088 k( 200) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0035088 k( 201) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0035088 k( 202) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0035088 k( 203) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0035088 k( 204) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0035088 k( 205) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0035088 k( 206) = ( 0.1515151 0.3484849 0.1515151), wk = 0.0035088 k( 207) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0035088 k( 208) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0035088 k( 209) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0035088 k( 210) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0035088 k( 211) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0035088 k( 212) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0035088 k( 213) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0035088 k( 214) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0035088 k( 215) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0035088 k( 216) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0035088 k( 217) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0035088 k( 218) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0035088 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 221) = ( 0.2727273 0.2727273 0.2230398), wk = 0.0035088 k( 222) = ( 0.2954545 0.2954545 0.1960796), wk = 0.0035088 k( 223) = ( 0.3181818 0.3181818 0.1691193), wk = 0.0035088 k( 224) = ( 0.3409091 0.3409091 0.1421591), wk = 0.0035088 k( 225) = ( 0.3636364 0.3636364 0.1151989), wk = 0.0035088 k( 226) = ( 0.3863636 0.3863636 0.0882387), wk = 0.0035088 k( 227) = ( 0.4090909 0.4090909 0.0612785), wk = 0.0035088 k( 228) = ( 0.4318182 0.4318182 0.0343183), wk = 0.0035088 k( 229) = ( 0.4545455 0.4545455 0.0073580), wk = 0.0035088 k( 230) = ( 0.4772727 0.4772727 -0.0196022), wk = 0.0035088 k( 231) = ( 0.5000000 0.5000000 -0.0465624), wk = 0.0035088 k( 232) = ( 0.5000000 0.5000000 -0.0465624), wk = 0.0035088 k( 233) = ( 0.5000000 0.5000000 -0.0573585), wk = 0.0035088 k( 234) = ( 0.5000000 0.5000000 -0.0681547), wk = 0.0035088 k( 235) = ( 0.5000000 0.5000000 -0.0789508), wk = 0.0035088 k( 236) = ( 0.5000000 0.5000000 -0.0897469), wk = 0.0035088 k( 237) = ( 0.5000000 0.5000000 -0.1005431), wk = 0.0035088 k( 238) = ( 0.5000000 0.5000000 -0.1113392), wk = 0.0035088 k( 239) = ( 0.5000000 0.5000000 -0.1221353), wk = 0.0035088 k( 240) = ( 0.5000000 0.5000000 -0.1329315), wk = 0.0035088 k( 241) = ( 0.5000000 0.5000000 -0.1437276), wk = 0.0035088 k( 242) = ( 0.5000000 0.5000000 -0.1545237), wk = 0.0035088 k( 243) = ( 0.5000000 0.5000000 -0.1653199), wk = 0.0035088 k( 244) = ( 0.5000000 0.5000000 -0.1761160), wk = 0.0035088 k( 245) = ( 0.5000000 0.5000000 -0.1869121), wk = 0.0035088 k( 246) = ( 0.5000000 0.5000000 -0.1977083), wk = 0.0035088 k( 247) = ( 0.5000000 0.5000000 -0.2085044), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 -0.2193005), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 -0.2300967), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 -0.2408928), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 -0.2516889), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 -0.2624850), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 -0.2732812), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 -0.2840773), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 -0.2948735), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 -0.3056696), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 -0.3164657), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 -0.3272619), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 -0.3380580), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 -0.3488541), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 -0.3596503), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 -0.3704464), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 -0.3812425), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 -0.3920387), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 -0.4028348), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 -0.4136309), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 -0.4244271), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 -0.4352232), wk = 0.0035088 k( 269) = ( 0.5000000 0.5000000 -0.4460193), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 -0.4568155), wk = 0.0035088 k( 271) = ( 0.5000000 0.5000000 -0.4676116), wk = 0.0035088 k( 272) = ( 0.5000000 0.5000000 -0.4784077), wk = 0.0035088 k( 273) = ( 0.5000000 0.5000000 -0.4892039), wk = 0.0035088 k( 274) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 276) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0035088 k( 277) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035088 k( 278) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0035088 k( 279) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035088 k( 280) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035088 k( 281) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035088 k( 282) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0035088 k( 283) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035088 k( 284) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0035088 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 Dense grid: 91521 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 55979 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 412, 68) NL pseudopotentials 0.75 Mb ( 206, 240) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2541) G-vector shells 0.01 Mb ( 1157) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.71 Mb ( 412, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.50 Mb ( 240, 2, 68) The potential is recalculated from file : ./Ba2HfS4.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.5 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.4 secs Computing kpt #: 11 total cpu time spent up to now is 17.8 secs Computing kpt #: 12 total cpu time spent up to now is 19.1 secs Computing kpt #: 13 total cpu time spent up to now is 20.4 secs Computing kpt #: 14 total cpu time spent up to now is 21.7 secs Computing kpt #: 15 total cpu time spent up to now is 23.0 secs Computing kpt #: 16 total cpu time spent up to now is 24.3 secs Computing kpt #: 17 total cpu time spent up to now is 25.6 secs Computing kpt #: 18 total cpu time spent up to now is 27.0 secs Computing kpt #: 19 total cpu time spent up to now is 28.3 secs Computing kpt #: 20 total cpu time spent up to now is 29.6 secs Computing kpt #: 21 total cpu time spent up to now is 31.0 secs Computing kpt #: 22 total cpu time spent up to now is 32.3 secs Computing kpt #: 23 total cpu time spent up to now is 33.8 secs Computing kpt #: 24 total cpu time spent up to now is 35.4 secs Computing kpt #: 25 total cpu time spent up to now is 37.0 secs Computing kpt #: 26 total cpu time spent up to now is 38.5 secs Computing kpt #: 27 total cpu time spent up to now is 40.1 secs Computing kpt #: 28 total cpu time spent up to now is 41.7 secs Computing kpt #: 29 total cpu time spent up to now is 43.0 secs Computing kpt #: 30 total cpu time spent up to now is 44.4 secs Computing kpt #: 31 total cpu time spent up to now is 45.7 secs Computing kpt #: 32 total cpu time spent up to now is 47.0 secs Computing kpt #: 33 total cpu time spent up to now is 48.4 secs Computing kpt #: 34 total cpu time spent up to now is 49.7 secs Computing kpt #: 35 total cpu time spent up to now is 51.3 secs Computing kpt #: 36 total cpu time spent up to now is 52.8 secs Computing kpt #: 37 total cpu time spent up to now is 54.4 secs Computing kpt #: 38 total cpu time spent up to now is 55.9 secs Computing kpt #: 39 total cpu time spent up to now is 57.4 secs Computing kpt #: 40 total cpu time spent up to now is 59.0 secs Computing kpt #: 41 total cpu time spent up to now is 60.6 secs Computing kpt #: 42 total cpu time spent up to now is 62.2 secs Computing kpt #: 43 total cpu time spent up to now is 63.8 secs Computing kpt #: 44 total cpu time spent up to now is 65.4 secs Computing kpt #: 45 total cpu time spent up to now is 67.0 secs Computing kpt #: 46 total cpu time spent up to now is 68.6 secs Computing kpt #: 47 total cpu time spent up to now is 70.1 secs Computing kpt #: 48 total cpu time spent up to now is 71.7 secs Computing kpt #: 49 total cpu time spent up to now is 73.2 secs Computing kpt #: 50 total cpu time spent up to now is 74.8 secs Computing kpt #: 51 total cpu time spent up to now is 76.4 secs Computing kpt #: 52 total cpu time spent up to now is 77.9 secs Computing kpt #: 53 total cpu time spent up to now is 79.5 secs Computing kpt #: 54 total cpu time spent up to now is 81.1 secs Computing kpt #: 55 total cpu time spent up to now is 82.6 secs Computing kpt #: 56 total cpu time spent up to now is 84.2 secs Computing kpt #: 57 total cpu time spent up to now is 85.8 secs Computing kpt #: 58 total cpu time spent up to now is 87.4 secs Computing kpt #: 59 total cpu time spent up to now is 89.0 secs Computing kpt #: 60 total cpu time spent up to now is 90.6 secs Computing kpt #: 61 total cpu time spent up to now is 92.3 secs Computing kpt #: 62 total cpu time spent up to now is 93.9 secs Computing kpt #: 63 total cpu time spent up to now is 95.6 secs Computing kpt #: 64 total cpu time spent up to now is 97.2 secs Computing kpt #: 65 total cpu time spent up to now is 98.9 secs Computing kpt #: 66 total cpu time spent up to now is 101.8 secs Computing kpt #: 67 total cpu time spent up to now is 103.4 secs Computing kpt #: 68 total cpu time spent up to now is 105.0 secs Computing kpt #: 69 total cpu time spent up to now is 106.5 secs Computing kpt #: 70 total cpu time spent up to now is 108.1 secs Computing kpt #: 71 total cpu time spent up to now is 109.7 secs Computing kpt #: 72 total cpu time spent up to now is 111.2 secs Computing kpt #: 73 total cpu time spent up to now is 112.8 secs Computing kpt #: 74 total cpu time spent up to now is 114.3 secs Computing kpt #: 75 total cpu time spent up to now is 115.7 secs Computing kpt #: 76 total cpu time spent up to now is 117.0 secs Computing kpt #: 77 total cpu time spent up to now is 118.4 secs Computing kpt #: 78 total cpu time spent up to now is 119.8 secs Computing kpt #: 79 total cpu time spent up to now is 121.1 secs Computing kpt #: 80 total cpu time spent up to now is 122.7 secs Computing kpt #: 81 total cpu time spent up to now is 124.2 secs Computing kpt #: 82 total cpu time spent up to now is 125.8 secs Computing kpt #: 83 total cpu time spent up to now is 127.3 secs Computing kpt #: 84 total cpu time spent up to now is 128.8 secs Computing kpt #: 85 total cpu time spent up to now is 130.4 secs Computing kpt #: 86 total cpu time spent up to now is 131.9 secs Computing kpt #: 87 total cpu time spent up to now is 133.5 secs Computing kpt #: 88 total cpu time spent up to now is 135.0 secs Computing kpt #: 89 total cpu time spent up to now is 136.5 secs Computing kpt #: 90 total cpu time spent up to now is 138.1 secs Computing kpt #: 91 total cpu time spent up to now is 139.6 secs Computing kpt #: 92 total cpu time spent up to now is 141.2 secs Computing kpt #: 93 total cpu time spent up to now is 142.7 secs Computing kpt #: 94 total cpu time spent up to now is 144.2 secs Computing kpt #: 95 total cpu time spent up to now is 145.8 secs Computing kpt #: 96 total cpu time spent up to now is 147.3 secs Computing kpt #: 97 total cpu time spent up to now is 148.8 secs Computing kpt #: 98 total cpu time spent up to now is 150.4 secs Computing kpt #: 99 total cpu time spent up to now is 151.9 secs Computing kpt #: 100 total cpu time spent up to now is 153.3 secs Computing kpt #: 101 total cpu time spent up to now is 154.6 secs Computing kpt #: 102 total cpu time spent up to now is 156.0 secs Computing kpt #: 103 total cpu time spent up to now is 157.3 secs Computing kpt #: 104 total cpu time spent up to now is 158.6 secs Computing kpt #: 105 total cpu time spent up to now is 160.4 secs Computing kpt #: 106 total cpu time spent up to now is 161.9 secs Computing kpt #: 107 total cpu time spent up to now is 163.2 secs Computing kpt #: 108 total cpu time spent up to now is 164.6 secs Computing kpt #: 109 total cpu time spent up to now is 165.9 secs Computing kpt #: 110 total cpu time spent up to now is 167.2 secs Computing kpt #: 111 total cpu time spent up to now is 168.6 secs Computing kpt #: 112 total cpu time spent up to now is 169.9 secs Computing kpt #: 113 total cpu time spent up to now is 171.2 secs Computing kpt #: 114 total cpu time spent up to now is 172.5 secs Computing kpt #: 115 total cpu time spent up to now is 173.8 secs Computing kpt #: 116 total cpu time spent up to now is 175.1 secs Computing kpt #: 117 total cpu time spent up to now is 176.4 secs Computing kpt #: 118 total cpu time spent up to now is 177.7 secs Computing kpt #: 119 total cpu time spent up to now is 179.0 secs Computing kpt #: 120 total cpu time spent up to now is 180.3 secs Computing kpt #: 121 total cpu time spent up to now is 181.6 secs Computing kpt #: 122 total cpu time spent up to now is 182.9 secs Computing kpt #: 123 total cpu time spent up to now is 184.2 secs Computing kpt #: 124 total cpu time spent up to now is 185.4 secs Computing kpt #: 125 total cpu time spent up to now is 186.8 secs Computing kpt #: 126 total cpu time spent up to now is 188.1 secs Computing kpt #: 127 total cpu time spent up to now is 189.4 secs Computing kpt #: 128 total cpu time spent up to now is 190.8 secs Computing kpt #: 129 total cpu time spent up to now is 192.1 secs Computing kpt #: 130 total cpu time spent up to now is 193.7 secs Computing kpt #: 131 total cpu time spent up to now is 195.2 secs Computing kpt #: 132 total cpu time spent up to now is 196.8 secs Computing kpt #: 133 total cpu time spent up to now is 198.4 secs Computing kpt #: 134 total cpu time spent up to now is 200.0 secs Computing kpt #: 135 total cpu time spent up to now is 201.5 secs Computing kpt #: 136 total cpu time spent up to now is 203.5 secs Computing kpt #: 137 total cpu time spent up to now is 205.9 secs Computing kpt #: 138 total cpu time spent up to now is 207.7 secs Computing kpt #: 139 total cpu time spent up to now is 210.0 secs Computing kpt #: 140 total cpu time spent up to now is 212.5 secs Computing kpt #: 141 total cpu time spent up to now is 214.2 secs Computing kpt #: 142 total cpu time spent up to now is 215.9 secs Computing kpt #: 143 total cpu time spent up to now is 217.5 secs Computing kpt #: 144 total cpu time spent up to now is 219.1 secs Computing kpt #: 145 total cpu time spent up to now is 221.6 secs Computing kpt #: 146 total cpu time spent up to now is 223.2 secs Computing kpt #: 147 total cpu time spent up to now is 224.9 secs Computing kpt #: 148 total cpu time spent up to now is 226.5 secs Computing kpt #: 149 total cpu time spent up to now is 228.0 secs Computing kpt #: 150 total cpu time spent up to now is 230.0 secs Computing kpt #: 151 total cpu time spent up to now is 231.3 secs Computing kpt #: 152 total cpu time spent up to now is 232.9 secs Computing kpt #: 153 total cpu time spent up to now is 234.5 secs Computing kpt #: 154 total cpu time spent up to now is 235.8 secs Computing kpt #: 155 total cpu time spent up to now is 237.1 secs Computing kpt #: 156 total cpu time spent up to now is 238.5 secs Computing kpt #: 157 total cpu time spent up to now is 239.8 secs Computing kpt #: 158 total cpu time spent up to now is 241.1 secs Computing kpt #: 159 total cpu time spent up to now is 242.5 secs Computing kpt #: 160 total cpu time spent up to now is 243.9 secs Computing kpt #: 161 total cpu time spent up to now is 245.2 secs Computing kpt #: 162 total cpu time spent up to now is 246.6 secs Computing kpt #: 163 total cpu time spent up to now is 248.0 secs Computing kpt #: 164 total cpu time spent up to now is 249.3 secs Computing kpt #: 165 total cpu time spent up to now is 250.8 secs Computing kpt #: 166 total cpu time spent up to now is 252.3 secs Computing kpt #: 167 total cpu time spent up to now is 253.9 secs Computing kpt #: 168 total cpu time spent up to now is 255.4 secs Computing kpt #: 169 total cpu time spent up to now is 256.9 secs Computing kpt #: 170 total cpu time spent up to now is 258.4 secs Computing kpt #: 171 total cpu time spent up to now is 260.0 secs Computing kpt #: 172 total cpu time spent up to now is 261.5 secs Computing kpt #: 173 total cpu time spent up to now is 263.1 secs Computing kpt #: 174 total cpu time spent up to now is 264.6 secs Computing kpt #: 175 total cpu time spent up to now is 266.1 secs Computing kpt #: 176 total cpu time spent up to now is 267.7 secs Computing kpt #: 177 total cpu time spent up to now is 269.2 secs Computing kpt #: 178 total cpu time spent up to now is 270.8 secs Computing kpt #: 179 total cpu time spent up to now is 272.3 secs Computing kpt #: 180 total cpu time spent up to now is 273.8 secs Computing kpt #: 181 total cpu time spent up to now is 275.4 secs Computing kpt #: 182 total cpu time spent up to now is 276.9 secs Computing kpt #: 183 total cpu time spent up to now is 278.4 secs Computing kpt #: 184 total cpu time spent up to now is 279.9 secs Computing kpt #: 185 total cpu time spent up to now is 281.5 secs Computing kpt #: 186 total cpu time spent up to now is 283.0 secs Computing kpt #: 187 total cpu time spent up to now is 284.3 secs Computing kpt #: 188 total cpu time spent up to now is 285.7 secs Computing kpt #: 189 total cpu time spent up to now is 287.0 secs Computing kpt #: 190 total cpu time spent up to now is 288.4 secs Computing kpt #: 191 total cpu time spent up to now is 289.8 secs Computing kpt #: 192 total cpu time spent up to now is 291.1 secs Computing kpt #: 193 total cpu time spent up to now is 292.5 secs Computing kpt #: 194 total cpu time spent up to now is 293.8 secs Computing kpt #: 195 total cpu time spent up to now is 295.2 secs Computing kpt #: 196 total cpu time spent up to now is 296.7 secs Computing kpt #: 197 total cpu time spent up to now is 298.3 secs Computing kpt #: 198 total cpu time spent up to now is 299.9 secs Computing kpt #: 199 total cpu time spent up to now is 301.4 secs Computing kpt #: 200 total cpu time spent up to now is 303.0 secs Computing kpt #: 201 total cpu time spent up to now is 304.6 secs Computing kpt #: 202 total cpu time spent up to now is 306.1 secs Computing kpt #: 203 total cpu time spent up to now is 307.7 secs Computing kpt #: 204 total cpu time spent up to now is 309.3 secs Computing kpt #: 205 total cpu time spent up to now is 310.8 secs Computing kpt #: 206 total cpu time spent up to now is 312.4 secs Computing kpt #: 207 total cpu time spent up to now is 313.9 secs Computing kpt #: 208 total cpu time spent up to now is 315.5 secs Computing kpt #: 209 total cpu time spent up to now is 317.0 secs Computing kpt #: 210 total cpu time spent up to now is 318.3 secs Computing kpt #: 211 total cpu time spent up to now is 319.7 secs Computing kpt #: 212 total cpu time spent up to now is 321.2 secs Computing kpt #: 213 total cpu time spent up to now is 322.7 secs Computing kpt #: 214 total cpu time spent up to now is 324.3 secs Computing kpt #: 215 total cpu time spent up to now is 325.8 secs Computing kpt #: 216 total cpu time spent up to now is 327.1 secs Computing kpt #: 217 total cpu time spent up to now is 328.6 secs Computing kpt #: 218 total cpu time spent up to now is 330.0 secs Computing kpt #: 219 total cpu time spent up to now is 331.3 secs Computing kpt #: 220 total cpu time spent up to now is 332.6 secs Computing kpt #: 221 total cpu time spent up to now is 334.0 secs Computing kpt #: 222 total cpu time spent up to now is 335.5 secs Computing kpt #: 223 total cpu time spent up to now is 336.8 secs Computing kpt #: 224 total cpu time spent up to now is 338.1 secs Computing kpt #: 225 total cpu time spent up to now is 339.5 secs Computing kpt #: 226 total cpu time spent up to now is 340.9 secs Computing kpt #: 227 total cpu time spent up to now is 342.4 secs Computing kpt #: 228 total cpu time spent up to now is 343.9 secs Computing kpt #: 229 total cpu time spent up to now is 345.5 secs Computing kpt #: 230 total cpu time spent up to now is 347.0 secs Computing kpt #: 231 total cpu time spent up to now is 348.6 secs Computing kpt #: 232 total cpu time spent up to now is 350.2 secs Computing kpt #: 233 total cpu time spent up to now is 351.7 secs Computing kpt #: 234 total cpu time spent up to now is 353.3 secs Computing kpt #: 235 total cpu time spent up to now is 354.9 secs Computing kpt #: 236 total cpu time spent up to now is 356.5 secs Computing kpt #: 237 total cpu time spent up to now is 358.2 secs Computing kpt #: 238 total cpu time spent up to now is 359.8 secs Computing kpt #: 239 total cpu time spent up to now is 361.3 secs Computing kpt #: 240 total cpu time spent up to now is 362.9 secs Computing kpt #: 241 total cpu time spent up to now is 364.4 secs Computing kpt #: 242 total cpu time spent up to now is 366.0 secs Computing kpt #: 243 total cpu time spent up to now is 367.6 secs Computing kpt #: 244 total cpu time spent up to now is 369.2 secs Computing kpt #: 245 total cpu time spent up to now is 370.8 secs Computing kpt #: 246 total cpu time spent up to now is 372.1 secs Computing kpt #: 247 total cpu time spent up to now is 373.9 secs Computing kpt #: 248 total cpu time spent up to now is 375.3 secs Computing kpt #: 249 total cpu time spent up to now is 376.7 secs Computing kpt #: 250 total cpu time spent up to now is 378.2 secs Computing kpt #: 251 total cpu time spent up to now is 379.6 secs Computing kpt #: 252 total cpu time spent up to now is 381.0 secs Computing kpt #: 253 total cpu time spent up to now is 382.3 secs Computing kpt #: 254 total cpu time spent up to now is 383.6 secs Computing kpt #: 255 total cpu time spent up to now is 384.9 secs Computing kpt #: 256 total cpu time spent up to now is 386.2 secs Computing kpt #: 257 total cpu time spent up to now is 387.5 secs Computing kpt #: 258 total cpu time spent up to now is 388.8 secs Computing kpt #: 259 total cpu time spent up to now is 390.1 secs Computing kpt #: 260 total cpu time spent up to now is 391.5 secs Computing kpt #: 261 total cpu time spent up to now is 392.8 secs Computing kpt #: 262 total cpu time spent up to now is 394.1 secs Computing kpt #: 263 total cpu time spent up to now is 395.4 secs Computing kpt #: 264 total cpu time spent up to now is 396.7 secs Computing kpt #: 265 total cpu time spent up to now is 398.0 secs Computing kpt #: 266 total cpu time spent up to now is 399.5 secs Computing kpt #: 267 total cpu time spent up to now is 400.9 secs Computing kpt #: 268 total cpu time spent up to now is 402.2 secs Computing kpt #: 269 total cpu time spent up to now is 403.6 secs Computing kpt #: 270 total cpu time spent up to now is 404.9 secs Computing kpt #: 271 total cpu time spent up to now is 406.4 secs Computing kpt #: 272 total cpu time spent up to now is 408.4 secs Computing kpt #: 273 total cpu time spent up to now is 410.3 secs Computing kpt #: 274 total cpu time spent up to now is 412.0 secs Computing kpt #: 275 total cpu time spent up to now is 413.6 secs Computing kpt #: 276 total cpu time spent up to now is 415.1 secs Computing kpt #: 277 total cpu time spent up to now is 416.7 secs Computing kpt #: 278 total cpu time spent up to now is 418.2 secs Computing kpt #: 279 total cpu time spent up to now is 419.7 secs Computing kpt #: 280 total cpu time spent up to now is 421.0 secs Computing kpt #: 281 total cpu time spent up to now is 422.4 secs Computing kpt #: 282 total cpu time spent up to now is 423.9 secs Computing kpt #: 283 total cpu time spent up to now is 425.2 secs Computing kpt #: 284 total cpu time spent up to now is 426.7 secs Computing kpt #: 285 total cpu time spent up to now is 428.1 secs ethr = 1.79E-08, avg # of iterations = 22.5 total cpu time spent up to now is 428.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6961 PWs) bands (ev): -53.9728 -53.9728 -28.3299 -28.3299 -20.7284 -20.7284 -20.6053 -20.6053 -19.1933 -19.1933 -19.1718 -19.1718 -6.1457 -6.1457 -5.8021 -5.8021 -5.2909 -5.2909 -4.2953 -4.2953 -4.1037 -4.1037 -3.9194 -3.9194 -3.7866 -3.7866 -3.7635 -3.7635 -3.0859 -3.0859 -2.8999 -2.8999 4.1496 4.1496 4.5337 4.5337 4.6813 4.6813 4.7465 4.7465 5.6193 5.6193 5.9997 5.9997 6.1185 6.1185 6.3770 6.3770 6.5047 6.5047 7.0950 7.0950 7.3228 7.3228 7.3232 7.3232 8.2203 8.2203 9.1759 9.1759 9.2950 9.2950 10.5799 10.5799 10.6191 10.6191 11.0974 11.0974 k = 0.0000 0.0000 0.0274 ( 6979 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7285 -20.7285 -20.6053 -20.6053 -19.1933 -19.1933 -19.1718 -19.1718 -6.1453 -6.1453 -5.8025 -5.8025 -5.2905 -5.2905 -4.2957 -4.2957 -4.1051 -4.1051 -3.9201 -3.9201 -3.7861 -3.7861 -3.7615 -3.7615 -3.0847 -3.0847 -2.8998 -2.8998 4.1477 4.1477 4.5298 4.5298 4.6785 4.6785 4.7512 4.7512 5.6119 5.6119 6.0036 6.0036 6.1212 6.1212 6.3722 6.3722 6.4997 6.4997 7.0926 7.0926 7.3170 7.3170 7.3221 7.3221 8.2299 8.2299 9.1768 9.1768 9.2959 9.2959 10.5839 10.5839 10.6234 10.6234 11.1008 11.1008 k = 0.0000 0.0000 0.0549 ( 6975 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7286 -20.7286 -20.6053 -20.6053 -19.1932 -19.1932 -19.1717 -19.1717 -6.1441 -6.1441 -5.8036 -5.8036 -5.2894 -5.2894 -4.2971 -4.2971 -4.1091 -4.1091 -3.9221 -3.9221 -3.7848 -3.7848 -3.7558 -3.7558 -3.0811 -3.0811 -2.8996 -2.8996 4.1422 4.1422 4.5187 4.5187 4.6713 4.6713 4.7634 4.7634 5.5911 5.5911 6.0128 6.0128 6.1304 6.1304 6.3567 6.3567 6.4862 6.4862 7.0852 7.0852 7.3004 7.3004 7.3193 7.3193 8.2580 8.2580 9.1794 9.1794 9.2991 9.2991 10.5957 10.5957 10.6363 10.6363 11.1109 11.1109 k = 0.0000 0.0000 0.0823 ( 6983 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7287 -20.7287 -20.6054 -20.6054 -19.1931 -19.1931 -19.1717 -19.1717 -6.1421 -6.1421 -5.8055 -5.8055 -5.2875 -5.2875 -4.2994 -4.2994 -4.1152 -4.1152 -3.9254 -3.9254 -3.7827 -3.7827 -3.7466 -3.7466 -3.0754 -3.0754 -2.8991 -2.8991 4.1326 4.1326 4.5027 4.5027 4.6611 4.6611 4.7798 4.7798 5.5603 5.5603 6.0217 6.0217 6.1482 6.1482 6.3279 6.3279 6.4682 6.4682 7.0719 7.0719 7.2749 7.2749 7.3150 7.3150 8.3025 8.3025 9.1831 9.1831 9.3053 9.3053 10.6148 10.6148 10.6576 10.6576 11.1277 11.1277 k = 0.0000 0.0000 0.1097 ( 6975 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7290 -20.7290 -20.6055 -20.6055 -19.1929 -19.1929 -19.1717 -19.1717 -6.1394 -6.1394 -5.8081 -5.8081 -5.2848 -5.2848 -4.3027 -4.3027 -4.1229 -4.1229 -3.9299 -3.9299 -3.7798 -3.7798 -3.7345 -3.7345 -3.0675 -3.0675 -2.8985 -2.8985 4.1185 4.1185 4.4840 4.4840 4.6486 4.6486 4.7983 4.7983 5.5229 5.5229 6.0264 6.0264 6.1752 6.1752 6.2840 6.2840 6.4498 6.4498 7.0511 7.0511 7.2437 7.2437 7.3098 7.3098 8.3605 8.3605 9.1872 9.1872 9.3157 9.3157 10.6407 10.6407 10.6871 10.6871 11.1511 11.1511 k = 0.0000 0.0000 0.1372 ( 6969 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7292 -20.7292 -20.6055 -20.6055 -19.1927 -19.1927 -19.1716 -19.1716 -6.1360 -6.1360 -5.8113 -5.8113 -5.2813 -5.2813 -4.3071 -4.3071 -4.1316 -4.1316 -3.9355 -3.9355 -3.7762 -3.7762 -3.7201 -3.7201 -3.0579 -3.0579 -2.8976 -2.8976 4.0995 4.0995 4.4643 4.4643 4.6340 4.6340 4.8176 4.8176 5.4814 5.4814 6.0261 6.0261 6.2074 6.2074 6.2276 6.2276 6.4326 6.4326 7.0213 7.0213 7.2098 7.2098 7.3043 7.3043 8.4293 8.4293 9.1910 9.1910 9.3313 9.3313 10.6727 10.6727 10.7244 10.7244 11.1807 11.1807 k = 0.0000 0.0000 0.1646 ( 6961 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7296 -20.7296 -20.6056 -20.6056 -19.1924 -19.1924 -19.1716 -19.1716 -6.1319 -6.1319 -5.8151 -5.8151 -5.2769 -5.2769 -4.3125 -4.3125 -4.1407 -4.1407 -3.9419 -3.9419 -3.7719 -3.7719 -3.7038 -3.7038 -3.0468 -3.0468 -2.8966 -2.8966 4.0752 4.0752 4.4450 4.4450 4.6174 4.6174 4.8369 4.8369 5.4374 5.4374 6.0212 6.0212 6.1540 6.1540 6.2499 6.2499 6.4165 6.4165 6.9814 6.9814 7.1758 7.1758 7.2990 7.2990 8.5065 8.5065 9.1948 9.1948 9.3527 9.3527 10.7101 10.7101 10.7690 10.7690 11.2158 11.2158 k = 0.0000 0.0000 0.1920 ( 6953 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7300 -20.7300 -20.6057 -20.6057 -19.1921 -19.1921 -19.1715 -19.1715 -6.1272 -6.1272 -5.8195 -5.8195 -5.2717 -5.2717 -4.3190 -4.3190 -4.1497 -4.1497 -3.9490 -3.9490 -3.7670 -3.7670 -3.6861 -3.6861 -3.0344 -3.0344 -2.8953 -2.8953 4.0454 4.0454 4.4268 4.4268 4.5991 4.5991 4.8557 4.8557 5.3923 5.3923 6.0086 6.0086 6.0798 6.0798 6.2908 6.2908 6.4008 6.4008 6.9319 6.9319 7.1431 7.1431 7.2941 7.2941 8.5901 8.5901 9.1989 9.1989 9.3801 9.3801 10.7524 10.7524 10.8207 10.8207 11.2557 11.2557 k = 0.0000 0.0000 0.2195 ( 6965 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7305 -20.7305 -20.6059 -20.6059 -19.1917 -19.1917 -19.1714 -19.1714 -6.1219 -6.1219 -5.8244 -5.8244 -5.2656 -5.2656 -4.3266 -4.3266 -4.1583 -4.1583 -3.9566 -3.9566 -3.7616 -3.7616 -3.6675 -3.6675 -3.0213 -3.0213 -2.8938 -2.8938 4.0103 4.0103 4.4098 4.4098 4.5795 4.5795 4.8738 4.8738 5.3467 5.3467 5.9604 5.9604 6.0320 6.0320 6.3325 6.3325 6.3854 6.3854 6.8744 6.8744 7.1117 7.1117 7.2897 7.2897 8.6783 8.6783 9.2043 9.2043 9.4130 9.4130 10.7989 10.7989 10.8788 10.8788 11.2996 11.2996 k = 0.0000 0.0000 0.2469 ( 6975 PWs) bands (ev): -53.9728 -53.9728 -28.3304 -28.3304 -20.7311 -20.7311 -20.6061 -20.6061 -19.1913 -19.1913 -19.1713 -19.1713 -6.1162 -6.1162 -5.8297 -5.8297 -5.2585 -5.2585 -4.3352 -4.3352 -4.1661 -4.1661 -3.9644 -3.9644 -3.7557 -3.7557 -3.6484 -3.6484 -3.0079 -3.0079 -2.8920 -2.8920 3.9703 3.9703 4.3937 4.3937 4.5589 4.5589 4.8910 4.8910 5.3013 5.3013 5.8725 5.8725 6.0173 6.0173 6.3703 6.3703 6.3736 6.3736 6.8111 6.8111 7.0814 7.0814 7.2856 7.2856 8.7697 8.7697 9.2121 9.2121 9.4512 9.4512 10.8495 10.8495 10.9431 10.9431 11.3464 11.3464 k = 0.0000 0.0000 0.2743 ( 6989 PWs) bands (ev): -53.9728 -53.9728 -28.3305 -28.3305 -20.7317 -20.7317 -20.6063 -20.6063 -19.1909 -19.1909 -19.1712 -19.1712 -6.1100 -6.1100 -5.8353 -5.8353 -5.2505 -5.2505 -4.3447 -4.3447 -4.1731 -4.1731 -3.9723 -3.9723 -3.7493 -3.7493 -3.6290 -3.6290 -2.9945 -2.9945 -2.8898 -2.8898 3.9259 3.9259 4.3780 4.3780 4.5378 4.5378 4.9072 4.9072 5.2563 5.2563 5.7736 5.7736 6.0088 6.0088 6.3558 6.3558 6.4131 6.4131 6.7443 6.7443 7.0517 7.0517 7.2816 7.2816 8.8633 8.8633 9.2234 9.2234 9.4943 9.4943 10.9039 10.9039 11.0129 11.0129 11.3952 11.3952 k = 0.0000 0.0000 0.3017 ( 6997 PWs) bands (ev): -53.9728 -53.9728 -28.3306 -28.3306 -20.7324 -20.7324 -20.6065 -20.6065 -19.1904 -19.1904 -19.1711 -19.1711 -6.1035 -6.1035 -5.8413 -5.8413 -5.2414 -5.2414 -4.3547 -4.3547 -4.1793 -4.1793 -3.9800 -3.9800 -3.7425 -3.7425 -3.6095 -3.6095 -2.9818 -2.9818 -2.8870 -2.8870 3.8778 3.8778 4.3623 4.3623 4.5166 4.5166 4.9223 4.9223 5.2121 5.2121 5.6696 5.6696 6.0020 6.0020 6.3422 6.3422 6.4505 6.4505 6.6757 6.6757 7.0226 7.0226 7.2776 7.2776 8.9578 8.9578 9.2391 9.2391 9.5418 9.5418 10.9621 10.9621 11.0881 11.0881 11.4450 11.4450 k = 0.0000 0.0000 0.3292 ( 6996 PWs) bands (ev): -53.9728 -53.9728 -28.3307 -28.3307 -20.7331 -20.7331 -20.6066 -20.6066 -19.1899 -19.1899 -19.1710 -19.1710 -6.0967 -6.0967 -5.8474 -5.8474 -5.2313 -5.2313 -4.3652 -4.3652 -4.1846 -4.1846 -3.9875 -3.9875 -3.7354 -3.7354 -3.5902 -3.5902 -2.9703 -2.9703 -2.8834 -2.8834 3.8265 3.8265 4.3460 4.3460 4.4954 4.4954 4.9364 4.9364 5.1691 5.1691 5.5622 5.5622 5.9963 5.9963 6.3300 6.3300 6.4849 6.4849 6.6072 6.6072 6.9942 6.9942 7.2732 7.2732 9.0521 9.0521 9.2606 9.2606 9.5934 9.5934 11.0241 11.0241 11.1680 11.1680 11.4953 11.4953 k = 0.0000 0.0000 0.3566 ( 6996 PWs) bands (ev): -53.9728 -53.9728 -28.3308 -28.3308 -20.7339 -20.7339 -20.6069 -20.6069 -19.1894 -19.1894 -19.1709 -19.1709 -6.0897 -6.0897 -5.8537 -5.8537 -5.2201 -5.2201 -4.3759 -4.3759 -4.1892 -4.1892 -3.9946 -3.9946 -3.7281 -3.7281 -3.5713 -3.5713 -2.9607 -2.9607 -2.8788 -2.8788 3.7727 3.7727 4.3289 4.3289 4.4744 4.4744 4.9492 4.9492 5.1276 5.1276 5.4524 5.4524 5.9916 5.9916 6.3199 6.3199 6.5132 6.5132 6.5427 6.5427 6.9665 6.9665 7.2684 7.2684 9.1442 9.1442 9.2898 9.2898 9.6489 9.6489 11.0900 11.0900 11.2525 11.2525 11.5453 11.5453 k = 0.0000 0.0000 0.3840 ( 6988 PWs) bands (ev): -53.9728 -53.9728 -28.3309 -28.3309 -20.7346 -20.7346 -20.6071 -20.6071 -19.1888 -19.1888 -19.1708 -19.1708 -6.0827 -6.0827 -5.8600 -5.8600 -5.2078 -5.2078 -4.3865 -4.3865 -4.1931 -4.1931 -4.0012 -4.0012 -3.7204 -3.7204 -3.5528 -3.5528 -2.9533 -2.9533 -2.8731 -2.8731 3.7168 3.7168 4.3109 4.3109 4.4534 4.4534 4.9602 4.9602 5.0881 5.0881 5.3410 5.3410 5.9881 5.9881 6.3123 6.3123 6.4705 6.4705 6.5478 6.5478 6.9397 6.9397 7.2629 7.2629 9.2297 9.2297 9.3312 9.3312 9.7079 9.7079 11.1597 11.1597 11.3411 11.3411 11.5946 11.5946 k = 0.0000 0.0000 0.4115 ( 6986 PWs) bands (ev): -53.9728 -53.9728 -28.3310 -28.3310 -20.7355 -20.7355 -20.6073 -20.6073 -19.1883 -19.1883 -19.1706 -19.1706 -6.0755 -6.0755 -5.8663 -5.8663 -5.1943 -5.1943 -4.3969 -4.3969 -4.1964 -4.1964 -4.0072 -4.0072 -3.7127 -3.7127 -3.5348 -3.5348 -2.9485 -2.9485 -2.8663 -2.8663 3.6592 3.6592 4.2922 4.2922 4.4323 4.4323 4.9679 4.9679 5.0526 5.0526 5.2285 5.2285 5.9856 5.9856 6.3078 6.3078 6.4080 6.4080 6.5722 6.5722 6.9140 6.9140 7.2569 7.2569 9.3006 9.3006 9.3924 9.3924 9.7701 9.7701 11.2332 11.2332 11.4336 11.4336 11.6431 11.6431 k = 0.0000 0.0000 0.4389 ( 6992 PWs) bands (ev): -53.9728 -53.9728 -28.3312 -28.3312 -20.7364 -20.7364 -20.6075 -20.6075 -19.1877 -19.1877 -19.1705 -19.1705 -6.0684 -6.0684 -5.8725 -5.8725 -5.1797 -5.1797 -4.4069 -4.4069 -4.1992 -4.1992 -4.0125 -4.0125 -3.7047 -3.7047 -3.5174 -3.5174 -2.9462 -2.9462 -2.8590 -2.8590 3.6002 3.6002 4.2732 4.2732 4.4107 4.4107 4.9664 4.9664 5.0267 5.0267 5.1157 5.1157 5.9844 5.9844 6.3064 6.3064 6.3489 6.3489 6.5935 6.5935 6.8895 6.8895 7.2502 7.2502 9.3579 9.3579 9.4726 9.4726 9.8353 9.8353 11.3105 11.3105 11.5295 11.5295 11.6904 11.6904 k = 0.0000 0.0000 0.4663 ( 6996 PWs) bands (ev): -53.9728 -53.9728 -28.3313 -28.3313 -20.7373 -20.7373 -20.6078 -20.6078 -19.1870 -19.1870 -19.1703 -19.1703 -6.0614 -6.0614 -5.8786 -5.8786 -5.1641 -5.1641 -4.4163 -4.4163 -4.2015 -4.2015 -4.0170 -4.0170 -3.6968 -3.6968 -3.5006 -3.5006 -2.9461 -2.9461 -2.8515 -2.8515 3.5401 3.5401 4.2542 4.2542 4.3883 4.3883 4.9471 4.9471 5.0019 5.0019 5.0205 5.0205 5.9843 5.9843 6.2892 6.2892 6.3134 6.3134 6.6115 6.6115 6.8662 6.8662 7.2429 7.2429 9.4120 9.4120 9.5610 9.5610 9.9031 9.9031 11.3912 11.3912 11.6283 11.6283 11.7365 11.7365 k = 0.0000 0.0000 0.4938 ( 7012 PWs) bands (ev): -53.9728 -53.9728 -28.3315 -28.3315 -20.7382 -20.7382 -20.6081 -20.6081 -19.1864 -19.1864 -19.1702 -19.1702 -6.0546 -6.0546 -5.8845 -5.8845 -5.1473 -5.1473 -4.4249 -4.4249 -4.2035 -4.2035 -4.0208 -4.0208 -3.6888 -3.6888 -3.4845 -3.4845 -2.9481 -2.9481 -2.8443 -2.8443 3.4791 3.4791 4.2354 4.2354 4.3650 4.3650 4.8894 4.8894 4.9183 4.9183 5.0240 5.0240 5.9854 5.9854 6.2390 6.2390 6.3196 6.3196 6.6261 6.6261 6.8442 6.8442 7.2350 7.2350 9.4687 9.4687 9.6517 9.6517 9.9735 9.9735 11.4751 11.4751 11.7289 11.7289 11.7820 11.7820 k = 0.0000 0.0000 0.5212 ( 6992 PWs) bands (ev): -53.9728 -53.9728 -28.3316 -28.3316 -20.7391 -20.7391 -20.6083 -20.6083 -19.1858 -19.1858 -19.1700 -19.1700 -6.0480 -6.0480 -5.8902 -5.8902 -5.1295 -5.1295 -4.4327 -4.4327 -4.2050 -4.2050 -4.0238 -4.0238 -3.6809 -3.6809 -3.4691 -3.4691 -2.9518 -2.9518 -2.8380 -2.8380 3.4174 3.4174 4.2170 4.2170 4.3409 4.3409 4.7789 4.7789 4.8855 4.8855 5.0316 5.0316 5.9877 5.9877 6.1920 6.1920 6.3319 6.3319 6.6374 6.6374 6.8236 6.8236 7.2267 7.2267 9.5297 9.5297 9.7427 9.7427 10.0460 10.0460 11.5616 11.5616 11.8137 11.8137 11.8437 11.8437 k = 0.0000 0.0000 0.5486 ( 7006 PWs) bands (ev): -53.9728 -53.9728 -28.3318 -28.3318 -20.7401 -20.7401 -20.6086 -20.6086 -19.1851 -19.1851 -19.1698 -19.1698 -6.0416 -6.0416 -5.8956 -5.8956 -5.1108 -5.1108 -4.4396 -4.4396 -4.2062 -4.2062 -4.0260 -4.0260 -3.6731 -3.6731 -3.4544 -3.4544 -2.9573 -2.9573 -2.8329 -2.8329 3.3551 3.3551 4.1988 4.1988 4.3164 4.3164 4.6697 4.6697 4.8532 4.8532 5.0403 5.0403 5.9911 5.9911 6.1496 6.1496 6.3491 6.3491 6.6457 6.6457 6.8044 6.8044 7.2180 7.2180 9.5954 9.5954 9.8331 9.8331 10.1204 10.1204 11.6502 11.6502 11.8572 11.8572 11.9457 11.9457 k = 0.0000 0.0000 0.5761 ( 7008 PWs) bands (ev): -53.9728 -53.9728 -28.3320 -28.3320 -20.7411 -20.7411 -20.6089 -20.6089 -19.1845 -19.1845 -19.1697 -19.1697 -6.0355 -6.0355 -5.9007 -5.9007 -5.0912 -5.0912 -4.4454 -4.4454 -4.2070 -4.2070 -4.0274 -4.0274 -3.6654 -3.6654 -3.4403 -3.4403 -2.9644 -2.9644 -2.8292 -2.8292 3.2923 3.2923 4.1802 4.1802 4.2923 4.2923 4.5626 4.5626 4.8217 4.8217 5.0491 5.0491 5.9956 5.9956 6.1121 6.1121 6.3711 6.3711 6.6513 6.6513 6.7865 6.7865 7.2093 7.2093 9.6660 9.6660 9.9226 9.9226 10.1965 10.1965 11.7394 11.7394 11.8924 11.8924 12.0535 12.0535 k = 0.0000 0.0000 0.6035 ( 7014 PWs) bands (ev): -53.9728 -53.9728 -28.3321 -28.3321 -20.7421 -20.7421 -20.6092 -20.6092 -19.1838 -19.1838 -19.1695 -19.1695 -6.0297 -6.0297 -5.9054 -5.9054 -5.0709 -5.0709 -4.4500 -4.4500 -4.2075 -4.2075 -4.0279 -4.0279 -3.6579 -3.6579 -3.4268 -3.4268 -2.9731 -2.9731 -2.8270 -2.8270 3.2291 3.2291 4.1603 4.1603 4.2700 4.2700 4.4584 4.4584 4.7914 4.7914 5.0580 5.0580 6.0010 6.0010 6.0796 6.0796 6.3978 6.3978 6.6543 6.6543 6.7700 6.7700 7.2006 7.2006 9.7410 9.7410 10.0111 10.0111 10.2740 10.2740 11.8262 11.8262 11.9221 11.9221 12.1628 12.1628 k = 0.0000 0.0000 0.6309 ( 7006 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7430 -20.7430 -20.6094 -20.6094 -19.1832 -19.1832 -19.1693 -19.1693 -6.0242 -6.0242 -5.9097 -5.9097 -5.0500 -5.0500 -4.4535 -4.4535 -4.2076 -4.2076 -4.0276 -4.0276 -3.6506 -3.6506 -3.4140 -3.4140 -2.9833 -2.9833 -2.8264 -2.8264 3.1653 3.1653 4.1378 4.1378 4.2511 4.2511 4.3575 4.3575 4.7623 4.7623 5.0667 5.0667 6.0071 6.0071 6.0523 6.0523 6.4288 6.4288 6.6551 6.6551 6.7550 6.7550 7.1921 7.1921 9.8201 9.8201 10.0985 10.0985 10.3527 10.3527 11.8949 11.8949 11.9569 11.9569 12.2715 12.2715 k = 0.0000 0.0000 0.6584 ( 7016 PWs) bands (ev): -53.9727 -53.9727 -28.3324 -28.3324 -20.7440 -20.7440 -20.6097 -20.6097 -19.1825 -19.1825 -19.1692 -19.1692 -6.0191 -6.0191 -5.9136 -5.9136 -5.0286 -5.0286 -4.4557 -4.4557 -4.2073 -4.2073 -4.0266 -4.0266 -3.6435 -3.6435 -3.4018 -3.4018 -2.9950 -2.9950 -2.8276 -2.8276 3.1012 3.1012 4.1117 4.1117 4.2365 4.2365 4.2606 4.2606 4.7345 4.7345 5.0753 5.0753 6.0127 6.0127 6.0311 6.0311 6.4639 6.4639 6.6541 6.6541 6.7414 6.7414 7.1842 7.1842 9.9029 9.9029 10.1848 10.1848 10.4324 10.4324 11.9099 11.9099 12.0256 12.0256 12.3573 12.3573 k = 0.0000 0.0000 0.6858 ( 7020 PWs) bands (ev): -53.9727 -53.9727 -28.3326 -28.3326 -20.7450 -20.7450 -20.6100 -20.6100 -19.1819 -19.1819 -19.1690 -19.1690 -6.0143 -6.0143 -5.9171 -5.9171 -5.0069 -5.0069 -4.4566 -4.4566 -4.2067 -4.2067 -4.0248 -4.0248 -3.6368 -3.6368 -3.3901 -3.3901 -3.0082 -3.0082 -2.8304 -2.8304 3.0366 3.0366 4.0818 4.0818 4.1674 4.1674 4.2277 4.2277 4.7080 4.7080 5.0837 5.0837 6.0075 6.0075 6.0260 6.0260 6.5024 6.5024 6.6514 6.6514 6.7294 6.7294 7.1771 7.1771 9.9889 9.9889 10.2700 10.2700 10.5128 10.5128 11.8899 11.8899 12.1044 12.1044 12.3821 12.3821 k = 0.0000 0.0000 0.7132 ( 7016 PWs) bands (ev): -53.9727 -53.9727 -28.3327 -28.3327 -20.7460 -20.7460 -20.6102 -20.6102 -19.1813 -19.1813 -19.1688 -19.1688 -6.0099 -6.0099 -5.9201 -5.9201 -4.9850 -4.9850 -4.4562 -4.4562 -4.2057 -4.2057 -4.0222 -4.0222 -3.6303 -3.6303 -3.3791 -3.3791 -3.0227 -3.0227 -2.8349 -2.8349 2.9717 2.9717 4.0477 4.0477 4.0807 4.0807 4.2229 4.2229 4.6829 4.6829 5.0920 5.0920 5.9953 5.9953 6.0328 6.0328 6.5435 6.5435 6.6475 6.6475 6.7194 6.7194 7.1710 7.1710 10.0775 10.0775 10.3539 10.3539 10.5938 10.5938 11.8501 11.8501 12.1779 12.1779 12.4045 12.4045 k = 0.0000 0.0000 0.7407 ( 7024 PWs) bands (ev): -53.9727 -53.9727 -28.3329 -28.3329 -20.7469 -20.7469 -20.6105 -20.6105 -19.1807 -19.1807 -19.1687 -19.1687 -6.0059 -6.0059 -5.9227 -5.9227 -4.9633 -4.9633 -4.4543 -4.4543 -4.2043 -4.2043 -4.0190 -4.0190 -3.6241 -3.6241 -3.3686 -3.3686 -3.0386 -3.0386 -2.8410 -2.8410 2.9065 2.9065 3.9915 3.9915 4.0191 4.0191 4.2221 4.2221 4.6591 4.6591 5.1000 5.1000 5.9863 5.9863 6.0410 6.0410 6.5855 6.5855 6.6429 6.6429 6.7125 6.7125 7.1663 7.1663 10.1683 10.1683 10.4365 10.4365 10.6751 10.6751 11.7985 11.7985 12.2421 12.2421 12.4317 12.4317 k = 0.0000 0.0000 0.7681 ( 7012 PWs) bands (ev): -53.9727 -53.9727 -28.3330 -28.3330 -20.7478 -20.7478 -20.6107 -20.6107 -19.1801 -19.1801 -19.1685 -19.1685 -6.0022 -6.0022 -5.9249 -5.9249 -4.9418 -4.9418 -4.4511 -4.4511 -4.2025 -4.2025 -4.0151 -4.0151 -3.6183 -3.6183 -3.3586 -3.3586 -3.0558 -3.0558 -2.8485 -2.8485 2.8411 2.8411 3.9152 3.9152 3.9815 3.9815 4.2245 4.2245 4.6367 4.6367 5.1078 5.1078 5.9810 5.9810 6.0494 6.0494 6.6219 6.6219 6.6398 6.6398 6.7124 6.7124 7.1633 7.1633 10.2605 10.2605 10.5176 10.5176 10.7565 10.7565 11.7411 11.7411 12.2973 12.2973 12.4613 12.4613 k = 0.0000 0.0000 0.7955 ( 7006 PWs) bands (ev): -53.9727 -53.9727 -28.3331 -28.3331 -20.7487 -20.7487 -20.6110 -20.6110 -19.1795 -19.1795 -19.1683 -19.1683 -5.9989 -5.9989 -5.9266 -5.9266 -4.9208 -4.9208 -4.4465 -4.4465 -4.2004 -4.2004 -4.0106 -4.0106 -3.6127 -3.6127 -3.3492 -3.3492 -3.0740 -3.0740 -2.8574 -2.8574 2.7758 2.7758 3.8427 3.8427 3.9450 3.9450 4.2297 4.2297 4.6156 4.6156 5.1154 5.1154 5.9793 5.9793 6.0577 6.0577 6.6275 6.6275 6.6528 6.6528 6.7298 6.7298 7.1623 7.1623 10.3536 10.3536 10.5969 10.5969 10.8377 10.8377 11.6824 11.6824 12.3457 12.3457 12.4924 12.4924 k = 0.0000 0.0000 0.8230 ( 7012 PWs) bands (ev): -53.9727 -53.9727 -28.3332 -28.3332 -20.7496 -20.7496 -20.6112 -20.6112 -19.1789 -19.1789 -19.1682 -19.1682 -5.9959 -5.9959 -5.9280 -5.9280 -4.9004 -4.9004 -4.4406 -4.4406 -4.1979 -4.1979 -4.0056 -4.0056 -3.6075 -3.6075 -3.3404 -3.3404 -3.0933 -3.0933 -2.8673 -2.8673 2.7109 2.7109 3.7754 3.7754 3.9089 3.9089 4.2372 4.2372 4.5959 4.5959 5.1228 5.1228 5.9809 5.9809 6.0656 6.0656 6.6215 6.6215 6.6581 6.6581 6.7685 6.7685 7.1634 7.1634 10.4471 10.4471 10.6739 10.6739 10.9187 10.9187 11.6254 11.6254 12.3899 12.3899 12.5243 12.5243 k = 0.0000 0.0000 0.8504 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3334 -28.3334 -20.7504 -20.7504 -20.6115 -20.6115 -19.1784 -19.1784 -19.1680 -19.1680 -5.9933 -5.9933 -5.9290 -5.9290 -4.8808 -4.8808 -4.4333 -4.4333 -4.1952 -4.1952 -4.0002 -4.0002 -3.6025 -3.6025 -3.3322 -3.3322 -3.1133 -3.1133 -2.8782 -2.8782 2.6466 2.6466 3.7135 3.7135 3.8732 3.8732 4.2466 4.2466 4.5775 4.5775 5.1300 5.1300 5.9854 5.9854 6.0729 6.0729 6.6146 6.6146 6.6562 6.6562 6.8173 6.8173 7.1669 7.1669 10.5401 10.5401 10.7479 10.7479 10.9990 10.9990 11.5723 11.5723 12.4309 12.4309 12.5558 12.5558 k = 0.0000 0.0000 0.8778 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3335 -28.3335 -20.7512 -20.7512 -20.6117 -20.6117 -19.1779 -19.1779 -19.1679 -19.1679 -5.9909 -5.9909 -5.9296 -5.9296 -4.8622 -4.8622 -4.4249 -4.4249 -4.1921 -4.1921 -3.9943 -3.9943 -3.5979 -3.5979 -3.3245 -3.3245 -3.1340 -3.1340 -2.8899 -2.8899 2.5833 2.5833 3.6569 3.6569 3.8386 3.8386 4.2574 4.2574 4.5605 4.5605 5.1369 5.1369 5.9924 5.9924 6.0793 6.0793 6.6075 6.6075 6.6523 6.6523 6.8695 6.8695 7.1729 7.1729 10.6320 10.6320 10.8179 10.8179 11.0785 11.0785 11.5253 11.5253 12.4693 12.4693 12.5855 12.5855 k = 0.0000 0.0000 0.9052 ( 7018 PWs) bands (ev): -53.9727 -53.9727 -28.3336 -28.3336 -20.7520 -20.7520 -20.6120 -20.6120 -19.1774 -19.1774 -19.1677 -19.1677 -5.9889 -5.9889 -5.9299 -5.9299 -4.8447 -4.8447 -4.4154 -4.4154 -4.1888 -4.1888 -3.9882 -3.9882 -3.5935 -3.5935 -3.3175 -3.3175 -3.1552 -3.1552 -2.9019 -2.9019 2.5216 2.5216 3.6055 3.6055 3.8051 3.8051 4.2694 4.2694 4.5448 4.5448 5.1436 5.1436 6.0013 6.0013 6.0849 6.0849 6.6004 6.6004 6.6480 6.6480 6.9230 6.9230 7.1814 7.1814 10.7219 10.7219 10.8825 10.8825 11.1567 11.1567 11.4864 11.4864 12.5052 12.5052 12.6108 12.6108 k = 0.0000 0.0000 0.9327 ( 7024 PWs) bands (ev): -53.9727 -53.9727 -28.3338 -28.3338 -20.7527 -20.7527 -20.6122 -20.6122 -19.1770 -19.1770 -19.1676 -19.1676 -5.9871 -5.9871 -5.9300 -5.9300 -4.8284 -4.8284 -4.4050 -4.4050 -4.1854 -4.1854 -3.9818 -3.9818 -3.5894 -3.5894 -3.3112 -3.3112 -3.1766 -3.1766 -2.9143 -2.9143 2.4619 2.4619 3.5591 3.5591 3.7731 3.7731 4.2820 4.2820 4.5305 4.5305 5.1500 5.1500 6.0117 6.0117 6.0896 6.0896 6.5935 6.5935 6.6439 6.6439 6.9766 6.9766 7.1925 7.1925 10.8087 10.8087 10.9398 10.9398 11.2332 11.2332 11.4585 11.4585 12.5381 12.5381 12.6282 12.6282 k = 0.0000 0.0000 0.9601 ( 7024 PWs) bands (ev): -53.9727 -53.9727 -28.3339 -28.3339 -20.7533 -20.7533 -20.6124 -20.6124 -19.1766 -19.1766 -19.1675 -19.1675 -5.9855 -5.9855 -5.9298 -5.9298 -4.8133 -4.8133 -4.3938 -4.3938 -4.1818 -4.1818 -3.9754 -3.9754 -3.5855 -3.5855 -3.3056 -3.3056 -3.1979 -3.1979 -2.9266 -2.9266 2.4047 2.4047 3.5175 3.5175 3.7429 3.7429 4.2951 4.2951 4.5175 4.5175 5.1561 5.1561 6.0230 6.0230 6.0934 6.0934 6.5868 6.5868 6.6401 6.6401 7.0293 7.0293 7.2057 7.2057 10.8904 10.8904 10.9882 10.9882 11.3069 11.3069 11.4451 11.4451 12.5674 12.5674 12.6326 12.6326 k = 0.0000 0.0000 0.9875 ( 7026 PWs) bands (ev): -53.9727 -53.9727 -28.3340 -28.3340 -20.7540 -20.7540 -20.6126 -20.6126 -19.1762 -19.1762 -19.1674 -19.1674 -5.9841 -5.9841 -5.9295 -5.9295 -4.7996 -4.7996 -4.3822 -4.3822 -4.1782 -4.1782 -3.9689 -3.9689 -3.5819 -3.5819 -3.3008 -3.3008 -3.2188 -3.2188 -2.9387 -2.9387 2.3506 2.3506 3.4804 3.4804 3.7146 3.7146 4.3081 4.3081 4.5060 4.5060 5.1619 5.1619 6.0346 6.0346 6.0968 6.0968 6.5805 6.5805 6.6368 6.6368 7.0804 7.0804 7.2210 7.2210 10.9609 10.9609 11.0306 11.0306 11.3747 11.3747 11.4512 11.4512 12.5894 12.5894 12.6203 12.6203 k = 0.0000 0.0000 1.0150 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3340 -28.3340 -20.7545 -20.7545 -20.6127 -20.6127 -19.1759 -19.1759 -19.1673 -19.1673 -5.9829 -5.9829 -5.9291 -5.9291 -4.7872 -4.7872 -4.3704 -4.3704 -4.1745 -4.1745 -3.9627 -3.9627 -3.5784 -3.5784 -3.2969 -3.2969 -3.2389 -3.2389 -2.9502 -2.9502 2.2999 2.2999 3.4477 3.4477 3.6885 3.6885 4.3208 4.3208 4.4959 4.4959 5.1673 5.1673 6.0456 6.0456 6.0999 6.0999 6.5746 6.5746 6.6338 6.6338 7.1292 7.1292 7.2378 7.2378 11.0045 11.0045 11.0815 11.0815 11.4278 11.4278 11.4852 11.4852 12.5663 12.5663 12.6238 12.6238 k = 0.0000 0.0000 1.0424 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3341 -28.3341 -20.7551 -20.7551 -20.6129 -20.6129 -19.1755 -19.1755 -19.1672 -19.1672 -5.9819 -5.9819 -5.9285 -5.9285 -4.7761 -4.7761 -4.3586 -4.3586 -4.1710 -4.1710 -3.9567 -3.9567 -3.5752 -3.5752 -3.2945 -3.2945 -3.2574 -3.2574 -2.9611 -2.9611 2.2532 2.2532 3.4190 3.4190 3.6647 3.6647 4.3327 4.3327 4.4873 4.4873 5.1722 5.1722 6.0552 6.0552 6.1036 6.1036 6.5692 6.5692 6.6312 6.6312 7.1750 7.1750 7.2558 7.2558 11.0196 11.0196 11.1441 11.1441 11.4672 11.4672 11.5427 11.5427 12.5035 12.5035 12.6413 12.6413 k = 0.0000 0.0000 1.0698 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3342 -28.3342 -20.7555 -20.7555 -20.6130 -20.6130 -19.1753 -19.1753 -19.1671 -19.1671 -5.9810 -5.9810 -5.9280 -5.9280 -4.7664 -4.7664 -4.3472 -4.3472 -4.1676 -4.1676 -3.9511 -3.9511 -3.5721 -3.5721 -3.2954 -3.2954 -3.2721 -3.2721 -2.9710 -2.9710 2.2109 2.2109 3.3943 3.3943 3.6434 3.6434 4.3435 4.3435 4.4801 4.4801 5.1767 5.1767 6.0624 6.0624 6.1084 6.1084 6.5643 6.5643 6.6290 6.6290 7.2169 7.2169 7.2743 7.2743 11.0211 11.0211 11.2068 11.2068 11.5056 11.5056 11.6058 11.6058 12.4273 12.4273 12.6563 12.6563 k = 0.0000 0.0000 1.0973 ( 7010 PWs) bands (ev): -53.9726 -53.9726 -28.3342 -28.3342 -20.7559 -20.7559 -20.6131 -20.6131 -19.1750 -19.1750 -19.1670 -19.1670 -5.9803 -5.9803 -5.9275 -5.9275 -4.7580 -4.7580 -4.3365 -4.3365 -4.1645 -4.1645 -3.9460 -3.9460 -3.5693 -3.5693 -3.3038 -3.3038 -3.2785 -3.2785 -2.9798 -2.9798 2.1734 2.1734 3.3732 3.3732 3.6247 3.6247 4.3530 4.3530 4.4744 4.4744 5.1808 5.1808 6.0670 6.0670 6.1146 6.1146 6.5600 6.5600 6.6272 6.6272 7.2540 7.2540 7.2930 7.2930 11.0167 11.0167 11.2645 11.2645 11.5448 11.5448 11.6679 11.6679 12.3481 12.3481 12.6675 12.6675 k = 0.0000 0.0000 1.1247 ( 7018 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7563 -20.7563 -20.6132 -20.6132 -19.1748 -19.1748 -19.1669 -19.1669 -5.9797 -5.9797 -5.9270 -5.9270 -4.7509 -4.7509 -4.3268 -4.3268 -4.1617 -4.1617 -3.9415 -3.9415 -3.5666 -3.5666 -3.3165 -3.3165 -3.2793 -3.2793 -2.9875 -2.9875 2.1410 2.1410 3.3557 3.3557 3.6086 3.6086 4.3610 4.3610 4.4702 4.4702 5.1842 5.1842 6.0693 6.0693 6.1216 6.1216 6.5563 6.5563 6.6257 6.6257 7.2850 7.2850 7.3120 7.3120 11.0102 11.0102 11.3153 11.3153 11.5823 11.5823 11.7273 11.7273 12.2717 12.2717 12.6599 12.6599 k = 0.0000 0.0000 1.1521 ( 7016 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7565 -20.7565 -20.6133 -20.6133 -19.1746 -19.1746 -19.1669 -19.1669 -5.9792 -5.9792 -5.9265 -5.9265 -4.7452 -4.7452 -4.3183 -4.3183 -4.1593 -4.1593 -3.9378 -3.9378 -3.5642 -3.5642 -3.3290 -3.3290 -3.2787 -3.2787 -2.9939 -2.9939 2.1141 2.1141 3.3415 3.3415 3.5954 3.5954 4.3672 4.3672 4.4673 4.4673 5.1871 5.1871 6.0701 6.0701 6.1285 6.1285 6.5532 6.5532 6.6245 6.6245 7.3083 7.3083 7.3314 7.3314 11.0035 11.0035 11.3583 11.3583 11.6160 11.6160 11.7833 11.7833 12.2010 12.2010 12.6270 12.6270 k = 0.0000 0.0000 1.1796 ( 7002 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7567 -20.7567 -20.6133 -20.6133 -19.1745 -19.1745 -19.1668 -19.1668 -5.9788 -5.9788 -5.9261 -5.9261 -4.7407 -4.7407 -4.3114 -4.3114 -4.1574 -4.1574 -3.9348 -3.9348 -3.5621 -3.5621 -3.3395 -3.3395 -3.2781 -3.2781 -2.9989 -2.9989 2.0929 2.0929 3.3306 3.3306 3.5850 3.5850 4.3718 4.3718 4.4655 4.4655 5.1894 5.1894 6.0701 6.0701 6.1345 6.1345 6.5508 6.5508 6.6236 6.6236 7.3245 7.3245 7.3499 7.3499 10.9977 10.9977 11.3926 11.3926 11.6440 11.6440 11.8357 11.8357 12.1372 12.1372 12.6000 12.6000 k = 0.0000 0.0000 1.2070 ( 7006 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7569 -20.7569 -20.6134 -20.6134 -19.1744 -19.1744 -19.1668 -19.1668 -5.9785 -5.9785 -5.9259 -5.9259 -4.7375 -4.7375 -4.3063 -4.3063 -4.1560 -4.1560 -3.9326 -3.9326 -3.5605 -3.5605 -3.3474 -3.3474 -3.2775 -3.2775 -3.0024 -3.0024 2.0777 2.0777 3.3229 3.3229 3.5776 3.5776 4.3750 4.3750 4.4645 4.4645 5.1911 5.1911 6.0698 6.0698 6.1391 6.1391 6.5491 6.5491 6.6229 6.6229 7.3353 7.3353 7.3646 7.3646 10.9933 10.9933 11.4175 11.4175 11.6650 11.6650 11.8850 11.8850 12.0800 12.0800 12.5803 12.5803 k = 0.0000 0.0000 1.2344 ( 6998 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7570 -20.7570 -20.6134 -20.6134 -19.1744 -19.1744 -19.1668 -19.1668 -5.9784 -5.9784 -5.9257 -5.9257 -4.7356 -4.7356 -4.3031 -4.3031 -4.1551 -4.1551 -3.9313 -3.9313 -3.5595 -3.5595 -3.3523 -3.3523 -3.2772 -3.2772 -3.0046 -3.0046 2.0684 2.0684 3.3183 3.3183 3.5731 3.5731 4.3767 4.3767 4.4641 4.4641 5.1921 5.1921 6.0695 6.0695 6.1420 6.1420 6.5481 6.5481 6.6226 6.6226 7.3416 7.3416 7.3738 7.3738 10.9906 10.9906 11.4327 11.4327 11.6780 11.6780 11.9316 11.9316 12.0288 12.0288 12.5683 12.5683 k = 0.0000 0.0000 1.2619 ( 6998 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7570 -20.7570 -20.6134 -20.6134 -19.1743 -19.1743 -19.1668 -19.1668 -5.9783 -5.9783 -5.9256 -5.9256 -4.7350 -4.7350 -4.3021 -4.3021 -4.1548 -4.1548 -3.9309 -3.9309 -3.5592 -3.5592 -3.3539 -3.3539 -3.2771 -3.2771 -3.0053 -3.0053 2.0653 2.0653 3.3167 3.3167 3.5716 3.5716 4.3773 4.3773 4.4640 4.4640 5.1924 5.1924 6.0694 6.0694 6.1430 6.1430 6.5477 6.5477 6.6224 6.6224 7.3437 7.3437 7.3770 7.3770 10.9896 10.9896 11.4378 11.4378 11.6824 11.6824 11.9691 11.9691 11.9898 11.9898 12.5642 12.5642 k = 0.0000 0.0000 1.2619 ( 6998 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7570 -20.7570 -20.6134 -20.6134 -19.1743 -19.1743 -19.1668 -19.1668 -5.9783 -5.9783 -5.9256 -5.9256 -4.7350 -4.7350 -4.3021 -4.3021 -4.1548 -4.1548 -3.9309 -3.9309 -3.5592 -3.5592 -3.3539 -3.3539 -3.2771 -3.2771 -3.0053 -3.0053 2.0653 2.0653 3.3167 3.3167 3.5716 3.5716 4.3773 4.3773 4.4640 4.4640 5.1924 5.1924 6.0694 6.0694 6.1430 6.1430 6.5477 6.5477 6.6224 6.6224 7.3437 7.3437 7.3770 7.3770 10.9896 10.9896 11.4378 11.4378 11.6824 11.6824 11.9691 11.9691 11.9898 11.9898 12.5642 12.5642 k =-0.0093 0.0216 1.2619 ( 7000 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7570 -20.7570 -20.6134 -20.6134 -19.1743 -19.1743 -19.1668 -19.1668 -5.9785 -5.9785 -5.9256 -5.9256 -4.7357 -4.7357 -4.3032 -4.3032 -4.1537 -4.1537 -3.9310 -3.9310 -3.5597 -3.5597 -3.3558 -3.3558 -3.2748 -3.2748 -3.0049 -3.0049 2.0679 2.0679 3.3178 3.3178 3.5727 3.5727 4.3776 4.3776 4.4637 4.4637 5.1924 5.1924 6.0675 6.0675 6.1427 6.1427 6.5497 6.5497 6.6206 6.6206 7.3432 7.3432 7.3748 7.3748 10.9916 10.9916 11.4284 11.4284 11.6774 11.6774 11.9628 11.9628 12.0042 12.0042 12.5586 12.5586 k =-0.0186 0.0432 1.2619 ( 7008 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7569 -20.7569 -20.6134 -20.6134 -19.1744 -19.1744 -19.1668 -19.1668 -5.9789 -5.9789 -5.9255 -5.9255 -4.7378 -4.7378 -4.3064 -4.3064 -4.1503 -4.1503 -3.9314 -3.9314 -3.5613 -3.5613 -3.3608 -3.3608 -3.2685 -3.2685 -3.0036 -3.0036 2.0754 2.0754 3.3209 3.3209 3.5760 3.5760 4.3784 4.3784 4.4630 4.4630 5.1922 5.1922 6.0619 6.0619 6.1420 6.1420 6.5553 6.5553 6.6150 6.6150 7.3416 7.3416 7.3688 7.3688 10.9974 10.9974 11.4019 11.4019 11.6636 11.6636 11.9507 11.9507 12.0376 12.0376 12.5472 12.5472 k =-0.0279 0.0647 1.2619 ( 7012 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7568 -20.7568 -20.6134 -20.6134 -19.1744 -19.1744 -19.1669 -19.1669 -5.9797 -5.9797 -5.9254 -5.9254 -4.7413 -4.7413 -4.3113 -4.3113 -4.1451 -4.1451 -3.9320 -3.9320 -3.5641 -3.5641 -3.3678 -3.3678 -3.2592 -3.2592 -3.0014 -3.0014 2.0879 2.0879 3.3261 3.3261 3.5815 3.5815 4.3797 4.3797 4.4620 4.4620 5.1919 5.1919 6.0525 6.0525 6.1412 6.1412 6.5642 6.5642 6.6060 6.6060 7.3375 7.3375 7.3602 7.3602 11.0069 11.0069 11.3620 11.3620 11.6427 11.6427 11.9338 11.9338 12.0831 12.0831 12.5381 12.5381 k =-0.0372 0.0863 1.2619 ( 7018 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7567 -20.7567 -20.6133 -20.6133 -19.1744 -19.1744 -19.1670 -19.1670 -5.9807 -5.9807 -5.9252 -5.9252 -4.7462 -4.7462 -4.3176 -4.3176 -4.1387 -4.1387 -3.9325 -3.9325 -3.5679 -3.5679 -3.3759 -3.3759 -3.2481 -3.2481 -2.9983 -2.9983 2.1054 2.1054 3.3334 3.3334 3.5892 3.5892 4.3814 4.3814 4.4606 4.4606 5.1915 5.1915 6.0396 6.0396 6.1407 6.1407 6.5754 6.5754 6.5943 6.5943 7.3275 7.3275 7.3525 7.3525 11.0201 11.0201 11.3130 11.3130 11.6157 11.6157 11.9112 11.9112 12.1358 12.1358 12.5352 12.5352 k =-0.0466 0.1079 1.2619 ( 7026 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7565 -20.7565 -20.6133 -20.6133 -19.1744 -19.1744 -19.1671 -19.1671 -5.9821 -5.9821 -5.9249 -5.9249 -4.7523 -4.7523 -4.3247 -4.3247 -4.1316 -4.1316 -3.9330 -3.9330 -3.5727 -3.5727 -3.3846 -3.3846 -3.2357 -3.2357 -2.9943 -2.9943 2.1276 2.1276 3.3429 3.3429 3.5991 3.5991 4.3833 4.3833 4.4592 4.4592 5.1910 5.1910 6.0235 6.0235 6.1406 6.1406 6.5753 6.5753 6.5930 6.5930 7.3099 7.3099 7.3479 7.3479 11.0368 11.0368 11.2583 11.2583 11.5828 11.5828 11.8828 11.8828 12.1916 12.1916 12.5405 12.5405 k =-0.0466 0.1079 1.2619 ( 7026 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7565 -20.7565 -20.6133 -20.6133 -19.1744 -19.1744 -19.1671 -19.1671 -5.9821 -5.9821 -5.9249 -5.9249 -4.7523 -4.7523 -4.3247 -4.3247 -4.1316 -4.1316 -3.9330 -3.9330 -3.5727 -3.5727 -3.3846 -3.3846 -3.2357 -3.2357 -2.9943 -2.9943 2.1276 2.1276 3.3429 3.3429 3.5991 3.5991 4.3833 4.3833 4.4592 4.4592 5.1910 5.1910 6.0235 6.0235 6.1406 6.1406 6.5753 6.5753 6.5930 6.5930 7.3099 7.3099 7.3479 7.3479 11.0368 11.0368 11.2583 11.2583 11.5828 11.5828 11.8828 11.8828 12.1916 12.1916 12.5405 12.5405 k =-0.0541 0.1254 1.2428 ( 7022 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7563 -20.7563 -20.6132 -20.6132 -19.1745 -19.1745 -19.1673 -19.1673 -5.9834 -5.9834 -5.9247 -5.9247 -4.7584 -4.7584 -4.3314 -4.3314 -4.1260 -4.1260 -3.9332 -3.9332 -3.5775 -3.5775 -3.3914 -3.3914 -3.2247 -3.2247 -2.9901 -2.9901 2.1503 2.1503 3.3528 3.3528 3.6095 3.6095 4.3841 4.3841 4.4589 4.4589 5.1903 5.1903 6.0087 6.0087 6.1403 6.1403 6.5615 6.5615 6.6053 6.6053 7.2895 7.2895 7.3444 7.3444 11.0533 11.0533 11.2096 11.2096 11.5509 11.5509 11.8537 11.8537 12.2392 12.2392 12.5519 12.5519 k =-0.0617 0.1429 1.2237 ( 7025 PWs) bands (ev): -53.9727 -53.9727 -28.3343 -28.3343 -20.7560 -20.7560 -20.6131 -20.6131 -19.1745 -19.1745 -19.1674 -19.1674 -5.9849 -5.9849 -5.9246 -5.9246 -4.7658 -4.7658 -4.3392 -4.3392 -4.1209 -4.1209 -3.9333 -3.9333 -3.5832 -3.5832 -3.3978 -3.3978 -3.2126 -3.2126 -2.9846 -2.9846 2.1784 2.1784 3.3657 3.3657 3.6231 3.6231 4.3824 4.3824 4.4607 4.4607 5.1893 5.1893 5.9929 5.9929 6.1391 6.1391 6.5455 6.5455 6.6196 6.6196 7.2628 7.2628 7.3392 7.3392 11.0727 11.0727 11.1562 11.1562 11.5141 11.5141 11.8192 11.8192 12.2883 12.2883 12.5698 12.5698 k =-0.0692 0.1604 1.2046 ( 7025 PWs) bands (ev): -53.9727 -53.9727 -28.3342 -28.3342 -20.7557 -20.7557 -20.6130 -20.6130 -19.1746 -19.1746 -19.1676 -19.1676 -5.9866 -5.9866 -5.9246 -5.9246 -4.7743 -4.7743 -4.3481 -4.3481 -4.1166 -4.1166 -3.9331 -3.9331 -3.5897 -3.5897 -3.4039 -3.4039 -3.1992 -3.1992 -2.9777 -2.9777 2.2111 2.2111 3.3814 3.3814 3.6402 3.6402 4.3773 4.3773 4.4656 4.4656 5.1878 5.1878 5.9764 5.9764 6.1370 6.1370 6.5282 6.5282 6.6351 6.6351 7.2300 7.2300 7.3321 7.3321 11.0935 11.0935 11.1010 11.1010 11.4742 11.4742 11.7812 11.7812 12.3363 12.3363 12.5930 12.5930 k =-0.0768 0.1779 1.1856 ( 7027 PWs) bands (ev): -53.9727 -53.9727 -28.3342 -28.3342 -20.7553 -20.7553 -20.6129 -20.6129 -19.1747 -19.1747 -19.1678 -19.1678 -5.9885 -5.9885 -5.9247 -5.9247 -4.7839 -4.7839 -4.3580 -4.3580 -4.1132 -4.1132 -3.9322 -3.9322 -3.5971 -3.5971 -3.4096 -3.4096 -3.1848 -3.1848 -2.9696 -2.9696 2.2478 2.2478 3.3999 3.3999 3.6610 3.6610 4.3687 4.3687 4.4738 4.4738 5.1860 5.1860 5.9595 5.9595 6.1337 6.1337 6.5100 6.5100 6.6515 6.6515 7.1916 7.1916 7.3230 7.3230 11.0396 11.0396 11.1206 11.1206 11.4325 11.4325 11.7409 11.7409 12.3813 12.3813 12.6205 12.6205 k =-0.0843 0.1954 1.1665 ( 7027 PWs) bands (ev): -53.9727 -53.9727 -28.3341 -28.3341 -20.7549 -20.7549 -20.6128 -20.6128 -19.1749 -19.1749 -19.1680 -19.1680 -5.9905 -5.9905 -5.9249 -5.9249 -4.7944 -4.7944 -4.3687 -4.3687 -4.1108 -4.1108 -3.9307 -3.9307 -3.6053 -3.6053 -3.4151 -3.4151 -3.1694 -3.1694 -2.9602 -2.9602 2.2877 2.2877 3.4213 3.4213 3.6858 3.6858 4.3569 4.3569 4.4852 4.4852 5.1839 5.1839 5.9424 5.9424 6.1293 6.1293 6.4913 6.4913 6.6684 6.6684 7.1477 7.1477 7.3117 7.3117 10.9783 10.9783 11.1483 11.1483 11.3904 11.3904 11.6992 11.6992 12.4215 12.4215 12.6512 12.6512 k =-0.0919 0.2130 1.1474 ( 7029 PWs) bands (ev): -53.9727 -53.9727 -28.3340 -28.3340 -20.7544 -20.7544 -20.6127 -20.6127 -19.1750 -19.1750 -19.1682 -19.1682 -5.9927 -5.9927 -5.9254 -5.9254 -4.8056 -4.8056 -4.3801 -4.3801 -4.1094 -4.1094 -3.9283 -3.9283 -3.6143 -3.6143 -3.4200 -3.4200 -3.1532 -3.1532 -2.9496 -2.9496 2.3300 2.3300 3.4456 3.4456 3.7150 3.7150 4.3423 4.3423 4.4992 4.4992 5.1813 5.1813 5.9254 5.9254 6.1235 6.1235 6.4726 6.4726 6.6857 6.6857 7.0988 7.0988 7.2983 7.2983 10.9155 10.9155 11.1781 11.1781 11.3494 11.3494 11.6572 11.6572 12.4545 12.4545 12.6840 12.6840 k =-0.0995 0.2305 1.1284 ( 7037 PWs) bands (ev): -53.9727 -53.9727 -28.3340 -28.3340 -20.7539 -20.7539 -20.6125 -20.6125 -19.1752 -19.1752 -19.1685 -19.1685 -5.9951 -5.9951 -5.9260 -5.9260 -4.8175 -4.8175 -4.3922 -4.3922 -4.1089 -4.1089 -3.9251 -3.9251 -3.6243 -3.6243 -3.4245 -3.4245 -3.1363 -3.1363 -2.9379 -2.9379 2.3739 2.3739 3.4726 3.4726 3.7488 3.7488 4.3254 4.3254 4.5155 4.5155 5.1785 5.1785 5.9086 5.9086 6.1162 6.1162 6.4544 6.4544 6.7033 6.7033 7.0450 7.0450 7.2830 7.2830 10.8518 10.8518 11.2085 11.2085 11.3117 11.3117 11.6155 11.6155 12.4778 12.4778 12.7174 12.7174 k =-0.1070 0.2480 1.1093 ( 7038 PWs) bands (ev): -53.9727 -53.9727 -28.3339 -28.3339 -20.7534 -20.7534 -20.6123 -20.6123 -19.1753 -19.1753 -19.1687 -19.1687 -5.9976 -5.9976 -5.9268 -5.9268 -4.8299 -4.8299 -4.4049 -4.4049 -4.1091 -4.1091 -3.9211 -3.9211 -3.6351 -3.6351 -3.4283 -3.4283 -3.1190 -3.1190 -2.9251 -2.9251 2.4183 2.4183 3.5025 3.5025 3.7875 3.7875 4.3065 4.3065 4.5338 4.5338 5.1752 5.1752 5.8921 5.8921 6.1074 6.1074 6.4370 6.4370 6.7210 6.7210 6.9869 6.9869 7.2657 7.2657 10.7875 10.7875 11.2309 11.2309 11.2861 11.2861 11.5749 11.5749 12.4903 12.4903 12.7490 12.7490 k =-0.1146 0.2655 1.0902 ( 7033 PWs) bands (ev): -53.9727 -53.9727 -28.3338 -28.3338 -20.7528 -20.7528 -20.6122 -20.6122 -19.1755 -19.1755 -19.1690 -19.1690 -6.0003 -6.0003 -5.9278 -5.9278 -4.8426 -4.8426 -4.4180 -4.4180 -4.1097 -4.1097 -3.9165 -3.9165 -3.6466 -3.6466 -3.4314 -3.4314 -3.1015 -3.1015 -2.9114 -2.9114 2.4625 2.4625 3.5352 3.5352 3.8313 3.8313 4.2861 4.2861 4.5541 4.5541 5.1717 5.1717 5.8759 5.8759 6.0969 6.0969 6.4209 6.4209 6.7385 6.7385 6.9247 6.9247 7.2468 7.2468 10.7231 10.7231 11.2189 11.2189 11.2995 11.2995 11.5362 11.5362 12.4929 12.4929 12.7786 12.7786 k =-0.1221 0.2830 1.0711 ( 7027 PWs) bands (ev): -53.9727 -53.9727 -28.3337 -28.3337 -20.7522 -20.7522 -20.6119 -20.6119 -19.1757 -19.1757 -19.1693 -19.1693 -6.0031 -6.0031 -5.9290 -5.9290 -4.8556 -4.8556 -4.4314 -4.4314 -4.1107 -4.1107 -3.9115 -3.9115 -3.6587 -3.6587 -3.4340 -3.4340 -3.0838 -3.0838 -2.8970 -2.8970 2.5056 2.5056 3.5706 3.5706 3.8803 3.8803 4.2642 4.2642 4.5760 4.5760 5.1678 5.1678 5.8603 5.8603 6.0846 6.0846 6.4064 6.4064 6.7556 6.7556 6.8591 6.8591 7.2263 7.2263 10.6589 10.6589 11.1907 11.1907 11.3330 11.3330 11.5005 11.5005 12.4881 12.4881 12.8075 12.8075 k =-0.1297 0.3005 1.0521 ( 7021 PWs) bands (ev): -53.9727 -53.9727 -28.3336 -28.3336 -20.7516 -20.7516 -20.6117 -20.6117 -19.1759 -19.1759 -19.1696 -19.1696 -6.0060 -6.0060 -5.9304 -5.9304 -4.8687 -4.8687 -4.4451 -4.4451 -4.1117 -4.1117 -3.9062 -3.9062 -3.6712 -3.6712 -3.4360 -3.4360 -3.0661 -3.0661 -2.8820 -2.8820 2.5470 2.5470 3.6088 3.6088 3.9344 3.9344 4.2413 4.2413 4.5996 4.5996 5.1636 5.1636 5.8450 5.8450 6.0706 6.0706 6.3937 6.3937 6.7713 6.7713 6.7916 6.7916 7.2047 7.2047 10.5955 10.5955 11.1626 11.1626 11.3677 11.3677 11.4705 11.4705 12.4785 12.4785 12.8327 12.8327 k =-0.1372 0.3180 1.0330 ( 7017 PWs) bands (ev): -53.9727 -53.9727 -28.3335 -28.3335 -20.7509 -20.7509 -20.6115 -20.6115 -19.1761 -19.1761 -19.1699 -19.1699 -6.0091 -6.0091 -5.9320 -5.9320 -4.8818 -4.8818 -4.4588 -4.4588 -4.1126 -4.1126 -3.9009 -3.9009 -3.6838 -3.6838 -3.4374 -3.4374 -3.0485 -3.0485 -2.8665 -2.8665 2.5860 2.5860 3.6497 3.6497 3.9932 3.9932 4.2176 4.2176 4.6246 4.6246 5.1591 5.1591 5.8302 5.8302 6.0550 6.0550 6.3827 6.3827 6.7194 6.7194 6.7887 6.7887 7.1823 7.1823 10.5331 10.5331 11.1374 11.1374 11.3886 11.3886 11.4589 11.4589 12.4660 12.4660 12.8432 12.8432 k =-0.1448 0.3355 1.0139 ( 7007 PWs) bands (ev): -53.9727 -53.9727 -28.3333 -28.3333 -20.7503 -20.7503 -20.6113 -20.6113 -19.1763 -19.1763 -19.1702 -19.1702 -6.0123 -6.0123 -5.9338 -5.9338 -4.8948 -4.8948 -4.4725 -4.4725 -4.1134 -4.1134 -3.8956 -3.8956 -3.6964 -3.6964 -3.4385 -3.4385 -3.0312 -3.0312 -2.8508 -2.8508 2.6223 2.6223 3.6931 3.6931 4.0562 4.0562 4.1935 4.1935 4.6510 4.6510 5.1542 5.1542 5.8159 5.8159 6.0380 6.0380 6.3726 6.3726 6.6486 6.6486 6.8031 6.8031 7.1597 7.1597 10.4722 10.4722 11.1155 11.1155 11.3779 11.3779 11.4825 11.4825 12.4519 12.4519 12.8164 12.8164 k =-0.1524 0.3530 0.9948 ( 7012 PWs) bands (ev): -53.9727 -53.9727 -28.3332 -28.3332 -20.7497 -20.7497 -20.6111 -20.6111 -19.1766 -19.1766 -19.1705 -19.1705 -6.0156 -6.0156 -5.9357 -5.9357 -4.9076 -4.9076 -4.4861 -4.4861 -4.1139 -4.1139 -3.8905 -3.8905 -3.7085 -3.7085 -3.4393 -3.4393 -3.0143 -3.0143 -2.8350 -2.8350 2.6557 2.6557 3.7391 3.7391 4.1220 4.1220 4.1699 4.1699 4.6788 4.6788 5.1489 5.1489 5.8019 5.8019 6.0198 6.0198 6.3613 6.3613 6.5800 6.5800 6.8158 6.8158 7.1374 7.1374 10.4130 10.4130 11.0973 11.0973 11.3548 11.3548 11.5213 11.5213 12.4370 12.4370 12.7708 12.7708 k =-0.1599 0.3706 0.9758 ( 7006 PWs) bands (ev): -53.9727 -53.9727 -28.3331 -28.3331 -20.7490 -20.7490 -20.6108 -20.6108 -19.1768 -19.1768 -19.1708 -19.1708 -6.0190 -6.0190 -5.9376 -5.9376 -4.9201 -4.9201 -4.4993 -4.4993 -4.1140 -4.1140 -3.8859 -3.8859 -3.7201 -3.7201 -3.4399 -3.4399 -2.9979 -2.9979 -2.8192 -2.8192 2.6860 2.6860 3.7876 3.7876 4.1417 4.1417 4.1950 4.1950 4.7076 4.7076 5.1433 5.1433 5.7882 5.7882 6.0009 6.0009 6.3432 6.3432 6.5197 6.5197 6.8262 6.8262 7.1164 7.1164 10.3561 10.3561 11.0827 11.0827 11.3309 11.3309 11.5631 11.5631 12.4218 12.4218 12.7204 12.7204 k =-0.1675 0.3881 0.9567 ( 7003 PWs) bands (ev): -53.9727 -53.9727 -28.3330 -28.3330 -20.7484 -20.7484 -20.6106 -20.6106 -19.1770 -19.1770 -19.1711 -19.1711 -6.0225 -6.0225 -5.9397 -5.9397 -4.9321 -4.9321 -4.5122 -4.5122 -4.1138 -4.1138 -3.8819 -3.8819 -3.7309 -3.7309 -3.4404 -3.4404 -2.9820 -2.9820 -2.8036 -2.8036 2.7133 2.7133 3.8384 3.8384 4.1182 4.1182 4.2653 4.2653 4.7375 4.7375 5.1371 5.1371 5.7747 5.7747 5.9814 5.9814 6.3087 6.3087 6.4784 6.4784 6.8333 6.8333 7.0976 7.0976 10.3017 10.3017 11.0718 11.0718 11.3085 11.3085 11.6043 11.6043 12.4068 12.4068 12.6698 12.6698 k =-0.1750 0.4056 0.9376 ( 7005 PWs) bands (ev): -53.9727 -53.9727 -28.3329 -28.3329 -20.7478 -20.7478 -20.6104 -20.6104 -19.1772 -19.1772 -19.1713 -19.1713 -6.0261 -6.0261 -5.9418 -5.9418 -4.9437 -4.9437 -4.5246 -4.5246 -4.1133 -4.1133 -3.8785 -3.8785 -3.7407 -3.7407 -3.4407 -3.4407 -2.9668 -2.9668 -2.7884 -2.7884 2.7376 2.7376 3.8914 3.8914 4.0943 4.0943 4.3368 4.3368 4.7683 4.7683 5.1304 5.1304 5.7614 5.7614 5.9618 5.9618 6.2530 6.2530 6.4611 6.4611 6.8362 6.8362 7.0823 7.0823 10.2500 10.2500 11.0643 11.0643 11.2883 11.2883 11.6429 11.6429 12.3921 12.3921 12.6210 12.6210 k =-0.1826 0.4231 0.9186 ( 7007 PWs) bands (ev): -53.9727 -53.9727 -28.3328 -28.3328 -20.7472 -20.7472 -20.6102 -20.6102 -19.1774 -19.1774 -19.1716 -19.1716 -6.0297 -6.0297 -5.9438 -5.9438 -4.9547 -4.9547 -4.5365 -4.5365 -4.1124 -4.1124 -3.8759 -3.8759 -3.7493 -3.7493 -3.4411 -3.4411 -2.9524 -2.9524 -2.7737 -2.7737 2.7591 2.7591 3.9464 3.9464 4.0712 4.0712 4.4077 4.4077 4.7999 4.7999 5.1231 5.1231 5.7482 5.7482 5.9424 5.9424 6.1837 6.1837 6.4609 6.4609 6.8342 6.8342 7.0713 7.0713 10.2014 10.2014 11.0601 11.0601 11.2705 11.2705 11.6769 11.6769 12.3781 12.3781 12.5740 12.5740 k =-0.1902 0.4406 0.8995 ( 7009 PWs) bands (ev): -53.9727 -53.9727 -28.3327 -28.3327 -20.7467 -20.7467 -20.6100 -20.6100 -19.1776 -19.1776 -19.1719 -19.1719 -6.0332 -6.0332 -5.9459 -5.9459 -4.9650 -4.9650 -4.5476 -4.5476 -4.1113 -4.1113 -3.8742 -3.8742 -3.7566 -3.7566 -3.4414 -3.4414 -2.9387 -2.9387 -2.7597 -2.7597 2.7780 2.7780 4.0023 4.0023 4.0499 4.0499 4.4765 4.4765 4.8320 4.8320 5.1150 5.1150 5.7351 5.7351 5.9234 5.9234 6.1085 6.1085 6.4706 6.4706 6.8273 6.8273 7.0651 7.0651 10.1560 10.1560 11.0586 11.0586 11.2553 11.2553 11.7042 11.7042 12.3648 12.3648 12.5258 12.5258 k =-0.1977 0.4581 0.8804 ( 7003 PWs) bands (ev): -53.9727 -53.9727 -28.3326 -28.3326 -20.7462 -20.7462 -20.6098 -20.6098 -19.1778 -19.1778 -19.1721 -19.1721 -6.0367 -6.0367 -5.9478 -5.9478 -4.9747 -4.9747 -4.5580 -4.5580 -4.1099 -4.1099 -3.8732 -3.8732 -3.7627 -3.7627 -3.4417 -3.4417 -2.9260 -2.9260 -2.7465 -2.7465 2.7945 2.7945 4.0240 4.0240 4.0656 4.0656 4.5420 4.5420 4.8643 4.8643 5.1059 5.1059 5.7221 5.7221 5.9052 5.9052 6.0317 6.0317 6.4865 6.4865 6.8160 6.8160 7.0634 7.0634 10.1141 10.1141 11.0596 11.0596 11.2428 11.2428 11.7228 11.7228 12.3519 12.3519 12.4671 12.4671 k =-0.2053 0.4756 0.8613 ( 7007 PWs) bands (ev): -53.9727 -53.9727 -28.3326 -28.3326 -20.7457 -20.7457 -20.6096 -20.6096 -19.1780 -19.1780 -19.1723 -19.1723 -6.0401 -6.0401 -5.9497 -5.9497 -4.9836 -4.9836 -4.5676 -4.5676 -4.1085 -4.1085 -3.8730 -3.8730 -3.7675 -3.7675 -3.4421 -3.4421 -2.9142 -2.9142 -2.7342 -2.7342 2.8088 2.8088 4.0054 4.0054 4.1244 4.1244 4.6030 4.6030 4.8964 4.8964 5.0958 5.0958 5.7090 5.7090 5.8878 5.8878 5.9556 5.9556 6.5067 6.5067 6.8017 6.8017 7.0651 7.0651 10.0758 10.0758 11.0625 11.0625 11.2332 11.2332 11.7311 11.7311 12.3366 12.3366 12.3888 12.3888 k =-0.2128 0.4931 0.8423 ( 7007 PWs) bands (ev): -53.9727 -53.9727 -28.3325 -28.3325 -20.7453 -20.7453 -20.6094 -20.6094 -19.1781 -19.1781 -19.1726 -19.1726 -6.0434 -6.0434 -5.9514 -5.9514 -4.9916 -4.9916 -4.5763 -4.5763 -4.1069 -4.1069 -3.8735 -3.8735 -3.7712 -3.7712 -3.4424 -3.4424 -2.9035 -2.9035 -2.7229 -2.7229 2.8211 2.8211 3.9872 3.9872 4.1856 4.1856 4.6585 4.6585 4.9276 4.9276 5.0846 5.0846 5.6959 5.6959 5.8682 5.8682 5.8853 5.8853 6.5296 6.5296 6.7859 6.7859 7.0692 7.0692 10.0412 10.0412 11.0665 11.0665 11.2266 11.2266 11.7285 11.7285 12.2743 12.2743 12.3400 12.3400 k =-0.2204 0.5107 0.8232 ( 7013 PWs) bands (ev): -53.9727 -53.9727 -28.3325 -28.3325 -20.7449 -20.7449 -20.6093 -20.6093 -19.1783 -19.1783 -19.1727 -19.1727 -6.0464 -6.0464 -5.9530 -5.9530 -4.9988 -4.9988 -4.5841 -4.5841 -4.1054 -4.1054 -3.8743 -3.8743 -3.7739 -3.7739 -3.4428 -3.4428 -2.8939 -2.8939 -2.7127 -2.7127 2.8316 2.8316 3.9705 3.9705 4.2476 4.2476 4.7079 4.7079 4.9564 4.9564 5.0726 5.0726 5.6829 5.6829 5.8090 5.8090 5.8599 5.8599 6.5539 6.5539 6.7702 6.7702 7.0748 7.0748 10.0104 10.0104 11.0710 11.0710 11.2229 11.2229 11.7154 11.7154 12.1726 12.1726 12.3283 12.3283 k =-0.2279 0.5282 0.8041 ( 7009 PWs) bands (ev): -53.9727 -53.9727 -28.3324 -28.3324 -20.7445 -20.7445 -20.6092 -20.6092 -19.1784 -19.1784 -19.1729 -19.1729 -6.0492 -6.0492 -5.9543 -5.9543 -5.0051 -5.0051 -4.5909 -4.5909 -4.1040 -4.1040 -3.8753 -3.8753 -3.7759 -3.7759 -3.4432 -3.4432 -2.8854 -2.8854 -2.7037 -2.7037 2.8404 2.8404 3.9556 3.9556 4.3096 4.3096 4.7506 4.7506 4.9798 4.9798 5.0620 5.0620 5.6695 5.6695 5.7452 5.7452 5.8467 5.8467 6.5778 6.5778 6.7562 6.7562 7.0808 7.0808 9.9835 9.9835 11.0753 11.0753 11.2222 11.2222 11.6935 11.6935 12.0751 12.0751 12.3206 12.3206 k =-0.2355 0.5457 0.7850 ( 7009 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7442 -20.7442 -20.6090 -20.6090 -19.1785 -19.1785 -19.1730 -19.1730 -6.0516 -6.0516 -5.9555 -5.9555 -5.0105 -5.0105 -4.5967 -4.5967 -4.1027 -4.1027 -3.8765 -3.8765 -3.7774 -3.7774 -3.4435 -3.4435 -2.8782 -2.8782 -2.6960 -2.6960 2.8476 2.8476 3.9427 3.9427 4.3706 4.3706 4.7866 4.7866 4.9901 4.9901 5.0592 5.0592 5.6538 5.6538 5.6908 5.6908 5.8356 5.8356 6.5993 6.5993 6.7452 6.7452 7.0868 7.0868 9.9607 9.9607 11.0789 11.0789 11.2239 11.2239 11.6655 11.6655 11.9897 11.9897 12.3147 12.3147 k =-0.2431 0.5632 0.7660 ( 7011 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7440 -20.7440 -20.6089 -20.6089 -19.1786 -19.1786 -19.1732 -19.1732 -6.0537 -6.0537 -5.9565 -5.9565 -5.0150 -5.0150 -4.6015 -4.6015 -4.1016 -4.1016 -3.8775 -3.8775 -3.7783 -3.7783 -3.4438 -3.4438 -2.8722 -2.8722 -2.6896 -2.6896 2.8533 2.8533 3.9320 3.9320 4.4293 4.4293 4.8156 4.8156 4.9817 4.9817 5.0689 5.0689 5.6244 5.6244 5.6593 5.6593 5.8264 5.8264 6.6164 6.6164 6.7387 6.7387 7.0922 7.0922 9.9419 9.9419 11.0815 11.0815 11.2272 11.2272 11.6349 11.6349 11.9195 11.9195 12.3103 12.3103 k =-0.2506 0.5807 0.7469 ( 7010 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7438 -20.7438 -20.6089 -20.6089 -19.1787 -19.1787 -19.1733 -19.1733 -6.0553 -6.0553 -5.9573 -5.9573 -5.0185 -5.0185 -4.6053 -4.6053 -4.1007 -4.1007 -3.8784 -3.8784 -3.7790 -3.7790 -3.4441 -3.4441 -2.8675 -2.8675 -2.6845 -2.6845 2.8577 2.8577 3.9236 3.9236 4.4834 4.4834 4.8377 4.8377 4.9624 4.9624 5.0836 5.0836 5.5877 5.5877 5.6464 5.6464 5.8192 5.8192 6.6276 6.6276 6.7370 6.7370 7.0968 7.0968 9.9272 9.9272 11.0832 11.0832 11.2311 11.2311 11.6058 11.6058 11.8652 11.8652 12.3070 12.3070 k =-0.2582 0.5982 0.7278 ( 7008 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7436 -20.7436 -20.6088 -20.6088 -19.1788 -19.1788 -19.1733 -19.1733 -6.0565 -6.0565 -5.9579 -5.9579 -5.0209 -5.0209 -4.6080 -4.6080 -4.1000 -4.1000 -3.8791 -3.8791 -3.7794 -3.7794 -3.4442 -3.4442 -2.8641 -2.8641 -2.6809 -2.6809 2.8608 2.8608 3.9175 3.9175 4.5294 4.5294 4.8526 4.8526 4.9409 4.9409 5.0966 5.0966 5.5589 5.5589 5.6386 5.6386 5.8141 5.8141 6.6333 6.6333 6.7389 6.7389 7.1002 7.1002 9.9167 9.9167 11.0841 11.0841 11.2343 11.2343 11.5825 11.5825 11.8268 11.8268 12.3049 12.3049 k =-0.2657 0.6157 0.7088 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7435 -20.7435 -20.6087 -20.6087 -19.1788 -19.1788 -19.1734 -19.1734 -6.0573 -6.0573 -5.9582 -5.9582 -5.0224 -5.0224 -4.6096 -4.6096 -4.0996 -4.0996 -3.8795 -3.8795 -3.7797 -3.7797 -3.4444 -3.4444 -2.8621 -2.8621 -2.6787 -2.6787 2.8627 2.8627 3.9139 3.9139 4.5616 4.5616 4.8604 4.8604 4.9243 4.9243 5.1052 5.1052 5.5411 5.5411 5.6339 5.6339 5.8110 5.8110 6.6355 6.6355 6.7416 6.7416 7.1023 7.1023 9.9103 9.9103 11.0846 11.0846 11.2364 11.2364 11.5675 11.5675 11.8038 11.8038 12.3037 12.3037 k =-0.2733 0.6332 0.6897 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7435 -20.7435 -20.6087 -20.6087 -19.1788 -19.1788 -19.1734 -19.1734 -6.0575 -6.0575 -5.9583 -5.9583 -5.0229 -5.0229 -4.6101 -4.6101 -4.0995 -4.0995 -3.8796 -3.8796 -3.7798 -3.7798 -3.4444 -3.4444 -2.8614 -2.8614 -2.6780 -2.6780 2.8633 2.8633 3.9126 3.9126 4.5735 4.5735 4.8624 4.8624 4.9182 4.9182 5.1081 5.1081 5.5351 5.5351 5.6324 5.6324 5.8099 5.8099 6.6360 6.6360 6.7428 6.7428 7.1030 7.1030 9.9082 9.9082 11.0847 11.0847 11.2371 11.2371 11.5624 11.5624 11.7961 11.7961 12.3033 12.3033 k =-0.2733 0.6332 0.6897 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7435 -20.7435 -20.6087 -20.6087 -19.1788 -19.1788 -19.1734 -19.1734 -6.0575 -6.0575 -5.9583 -5.9583 -5.0229 -5.0229 -4.6101 -4.6101 -4.0995 -4.0995 -3.8796 -3.8796 -3.7798 -3.7798 -3.4444 -3.4444 -2.8614 -2.8614 -2.6780 -2.6780 2.8633 2.8633 3.9126 3.9126 4.5735 4.5735 4.8624 4.8624 4.9182 4.9182 5.1081 5.1081 5.5351 5.5351 5.6324 5.6324 5.8099 5.8099 6.6360 6.6360 6.7428 6.7428 7.1030 7.1030 9.9082 9.9082 11.0847 11.0847 11.2371 11.2371 11.5624 11.5624 11.7961 11.7961 12.3033 12.3033 k =-0.2657 0.6156 0.6705 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7437 -20.7437 -20.6087 -20.6087 -19.1790 -19.1790 -19.1730 -19.1730 -6.0531 -6.0531 -5.9624 -5.9624 -5.0208 -5.0208 -4.6146 -4.6146 -4.1014 -4.1014 -3.8812 -3.8812 -3.7778 -3.7778 -3.4419 -3.4419 -2.8527 -2.8527 -2.6740 -2.6740 2.8410 2.8410 3.8986 3.8986 4.5793 4.5793 4.8552 4.8552 4.9074 4.9074 5.1058 5.1058 5.5299 5.5299 5.6260 5.6260 5.8055 5.8055 6.6456 6.6456 6.7582 6.7582 7.0880 7.0880 9.8928 9.8928 11.1089 11.1089 11.2661 11.2661 11.5909 11.5909 11.8186 11.8186 12.2993 12.2993 k =-0.2581 0.5981 0.6514 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7438 -20.7438 -20.6088 -20.6088 -19.1792 -19.1792 -19.1727 -19.1727 -6.0485 -6.0485 -5.9663 -5.9663 -5.0205 -5.0205 -4.6174 -4.6174 -4.1033 -4.1033 -3.8828 -3.8828 -3.7759 -3.7759 -3.4409 -3.4409 -2.8448 -2.8448 -2.6715 -2.6715 2.8258 2.8258 3.8880 3.8880 4.5817 4.5817 4.8510 4.8510 4.9010 4.9010 5.1053 5.1053 5.5258 5.5258 5.6216 5.6216 5.8047 5.8047 6.6531 6.6531 6.7759 6.7759 7.0734 7.0734 9.8755 9.8755 11.1135 11.1135 11.2821 11.2821 11.6164 11.6164 11.8378 11.8378 12.2983 12.2983 k =-0.2505 0.5805 0.6322 ( 7006 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7438 -20.7438 -20.6088 -20.6088 -19.1795 -19.1795 -19.1724 -19.1724 -6.0436 -6.0436 -5.9700 -5.9700 -5.0221 -5.0221 -4.6186 -4.6186 -4.1051 -4.1051 -3.8844 -3.8844 -3.7740 -3.7740 -3.4414 -3.4414 -2.8380 -2.8380 -2.6705 -2.6705 2.8180 2.8180 3.8810 3.8810 4.5806 4.5806 4.8498 4.8498 4.8994 4.8994 5.1064 5.1064 5.5229 5.5229 5.6192 5.6192 5.8072 5.8072 6.6597 6.6597 6.7946 6.7946 7.0600 7.0600 9.8565 9.8565 11.0986 11.0986 11.2847 11.2847 11.6371 11.6371 11.8558 11.8558 12.3005 12.3005 k =-0.2429 0.5629 0.6131 ( 7014 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7438 -20.7438 -20.6088 -20.6088 -19.1798 -19.1798 -19.1721 -19.1721 -6.0387 -6.0387 -5.9733 -5.9733 -5.0255 -5.0255 -4.6181 -4.6181 -4.1068 -4.1068 -3.8863 -3.8863 -3.7721 -3.7721 -3.4434 -3.4434 -2.8322 -2.8322 -2.6711 -2.6711 2.8176 2.8176 3.8774 3.8774 4.5759 4.5759 4.8509 4.8509 4.9035 4.9035 5.1092 5.1092 5.5214 5.5214 5.6188 5.6188 5.8132 5.8132 6.6662 6.6662 6.8126 6.8126 7.0484 7.0484 9.8358 9.8358 11.0656 11.0656 11.2736 11.2736 11.6509 11.6509 11.8743 11.8743 12.3056 12.3056 k =-0.2353 0.5453 0.5939 ( 7030 PWs) bands (ev): -53.9728 -53.9728 -28.3323 -28.3323 -20.7438 -20.7438 -20.6088 -20.6088 -19.1801 -19.1801 -19.1719 -19.1719 -6.0338 -6.0338 -5.9762 -5.9762 -5.0306 -5.0306 -4.6160 -4.6160 -4.1082 -4.1082 -3.8887 -3.8887 -3.7703 -3.7703 -3.4465 -3.4465 -2.8275 -2.8275 -2.6731 -2.6731 2.8245 2.8245 3.8773 3.8773 4.5682 4.5682 4.8532 4.8532 4.9137 4.9137 5.1137 5.1137 5.5212 5.5212 5.6204 5.6204 5.8224 5.8224 6.6730 6.6730 6.8288 6.8288 7.0394 7.0394 9.8137 9.8137 11.0168 11.0168 11.2482 11.2482 11.6568 11.6568 11.8951 11.8951 12.3136 12.3136 k =-0.2277 0.5277 0.5747 ( 7032 PWs) bands (ev): -53.9728 -53.9728 -28.3323 -28.3323 -20.7436 -20.7436 -20.6088 -20.6088 -19.1805 -19.1805 -19.1717 -19.1717 -6.0293 -6.0293 -5.9783 -5.9783 -5.0374 -5.0374 -4.6123 -4.6123 -4.1093 -4.1093 -3.8919 -3.8919 -3.7686 -3.7686 -3.4507 -3.4507 -2.8239 -2.8239 -2.6767 -2.6767 2.8386 2.8386 3.8806 3.8806 4.5584 4.5584 4.8563 4.8563 4.9292 4.9292 5.1201 5.1201 5.5225 5.5225 5.6238 5.6238 5.8349 5.8349 6.6804 6.6804 6.8416 6.8416 7.0341 7.0341 9.7903 9.7903 10.9547 10.9547 11.2084 11.2084 11.6546 11.6546 11.9181 11.9181 12.3239 12.3239 k =-0.2201 0.5101 0.5556 ( 7042 PWs) bands (ev): -53.9728 -53.9728 -28.3323 -28.3323 -20.7434 -20.7434 -20.6088 -20.6088 -19.1809 -19.1809 -19.1715 -19.1715 -6.0255 -6.0255 -5.9793 -5.9793 -5.0455 -5.0455 -4.6073 -4.6073 -4.1100 -4.1100 -3.8959 -3.8959 -3.7670 -3.7670 -3.4556 -3.4556 -2.8216 -2.8216 -2.6817 -2.6817 2.8597 2.8597 3.8873 3.8873 4.5472 4.5472 4.8600 4.8600 4.9490 4.9490 5.1289 5.1289 5.5255 5.5255 5.6292 5.6292 5.8505 5.8505 6.6883 6.6883 6.8500 6.8500 7.0337 7.0337 9.7657 9.7657 10.8819 10.8819 11.1543 11.1543 11.6453 11.6453 11.9426 11.9426 12.3359 12.3359 k =-0.2126 0.4925 0.5364 ( 7046 PWs) bands (ev): -53.9728 -53.9728 -28.3323 -28.3323 -20.7431 -20.7431 -20.6087 -20.6087 -19.1813 -19.1813 -19.1713 -19.1713 -6.0230 -6.0230 -5.9786 -5.9786 -5.0549 -5.0549 -4.6009 -4.6009 -4.1103 -4.1103 -3.9012 -3.9012 -3.7654 -3.7654 -3.4610 -3.4610 -2.8205 -2.8205 -2.6881 -2.6881 2.8876 2.8876 3.8973 3.8973 4.5353 4.5353 4.8647 4.8647 4.9715 4.9715 5.1406 5.1406 5.5302 5.5302 5.6365 5.6365 5.8692 5.8692 6.6968 6.6968 6.8536 6.8536 7.0385 7.0385 9.7401 9.7401 10.8008 10.8008 11.0867 11.0867 11.6301 11.6301 11.9662 11.9662 12.3472 12.3472 k =-0.2050 0.4749 0.5173 ( 7044 PWs) bands (ev): -53.9728 -53.9728 -28.3322 -28.3322 -20.7427 -20.7427 -20.6087 -20.6087 -19.1818 -19.1818 -19.1712 -19.1712 -6.0223 -6.0223 -5.9760 -5.9760 -5.0654 -5.0654 -4.5934 -4.5934 -4.1100 -4.1100 -3.9076 -3.9076 -3.7640 -3.7640 -3.4668 -3.4668 -2.8206 -2.8206 -2.6958 -2.6958 2.9219 2.9219 3.9106 3.9106 4.5232 4.5232 4.8703 4.8703 4.9952 4.9952 5.1560 5.1560 5.5370 5.5370 5.6455 5.6455 5.8911 5.8911 6.7053 6.7053 6.8529 6.8529 7.0483 7.0483 9.7138 9.7138 10.7133 10.7133 11.0067 11.0067 11.6102 11.6102 11.9856 11.9856 12.3377 12.3377 k =-0.1974 0.4573 0.4981 ( 7038 PWs) bands (ev): -53.9728 -53.9728 -28.3321 -28.3321 -20.7423 -20.7423 -20.6086 -20.6086 -19.1823 -19.1823 -19.1710 -19.1710 -6.0232 -6.0232 -5.9715 -5.9715 -5.0766 -5.0766 -4.5848 -4.5848 -4.1091 -4.1091 -3.9154 -3.9154 -3.7627 -3.7627 -3.4727 -3.4727 -2.8220 -2.8220 -2.7049 -2.7049 2.9622 2.9622 3.9270 3.9270 4.5113 4.5113 4.8767 4.8767 5.0187 5.0187 5.1760 5.1760 5.5459 5.5459 5.6562 5.6562 5.9161 5.9161 6.7134 6.7134 6.8494 6.8494 7.0618 7.0618 9.6868 9.6868 10.6212 10.6212 10.9159 10.9159 11.5863 11.5863 11.9952 11.9952 12.2868 12.2868 k =-0.1898 0.4397 0.4789 ( 7022 PWs) bands (ev): -53.9728 -53.9728 -28.3320 -28.3320 -20.7417 -20.7417 -20.6085 -20.6085 -19.1828 -19.1828 -19.1709 -19.1709 -6.0255 -6.0255 -5.9653 -5.9653 -5.0885 -5.0885 -4.5753 -4.5753 -4.1076 -4.1076 -3.9246 -3.9246 -3.7616 -3.7616 -3.4787 -3.4787 -2.8245 -2.8245 -2.7152 -2.7152 3.0081 3.0081 3.9464 3.9464 4.4999 4.4999 4.8840 4.8840 5.0406 5.0406 5.2014 5.2014 5.5572 5.5572 5.6687 5.6687 5.9442 5.9442 6.7200 6.7200 6.8452 6.8452 7.0780 7.0780 9.6593 9.6593 10.5262 10.5262 10.8158 10.8158 11.5587 11.5587 11.9860 11.9860 12.2415 12.2415 k =-0.1822 0.4222 0.4598 ( 7020 PWs) bands (ev): -53.9728 -53.9728 -28.3319 -28.3319 -20.7412 -20.7412 -20.6084 -20.6084 -19.1833 -19.1833 -19.1708 -19.1708 -6.0288 -6.0288 -5.9581 -5.9581 -5.1008 -5.1008 -4.5649 -4.5649 -4.1055 -4.1055 -3.9350 -3.9350 -3.7606 -3.7606 -3.4847 -3.4847 -2.8283 -2.8283 -2.7266 -2.7266 3.0590 3.0590 3.9686 3.9686 4.4892 4.4892 4.8918 4.8918 5.0604 5.0604 5.2325 5.2325 5.5711 5.5711 5.6826 5.6826 5.9755 5.9755 6.7237 6.7237 6.8426 6.8426 7.0958 7.0958 9.6316 9.6316 10.4294 10.4294 10.7081 10.7081 11.5280 11.5280 11.9506 11.9506 12.2163 12.2163 k =-0.1746 0.4046 0.4406 ( 7024 PWs) bands (ev): -53.9728 -53.9728 -28.3319 -28.3319 -20.7406 -20.7406 -20.6083 -20.6083 -19.1839 -19.1839 -19.1708 -19.1708 -6.0329 -6.0329 -5.9500 -5.9500 -5.1134 -5.1134 -4.5537 -4.5537 -4.1028 -4.1028 -3.9466 -3.9466 -3.7597 -3.7597 -3.4907 -3.4907 -2.8331 -2.8331 -2.7391 -2.7391 3.1144 3.1144 3.9935 3.9935 4.4794 4.4794 4.8999 4.8999 5.0781 5.0781 5.2692 5.2692 5.5879 5.5879 5.6980 5.6980 6.0100 6.0100 6.7230 6.7230 6.8437 6.8437 7.1142 7.1142 9.6037 9.6037 10.3318 10.3318 10.5942 10.5942 11.4942 11.4942 11.8925 11.8925 12.2075 12.2075 k =-0.1670 0.3870 0.4215 ( 7016 PWs) bands (ev): -53.9728 -53.9728 -28.3317 -28.3317 -20.7399 -20.7399 -20.6081 -20.6081 -19.1844 -19.1844 -19.1708 -19.1708 -6.0375 -6.0375 -5.9414 -5.9414 -5.1262 -5.1262 -4.5418 -4.5418 -4.0994 -4.0994 -3.9592 -3.9592 -3.7590 -3.7590 -3.4968 -3.4968 -2.8389 -2.8389 -2.7524 -2.7524 3.1735 3.1735 4.0208 4.0208 4.4705 4.4705 4.9079 4.9079 5.0942 5.0942 5.3107 5.3107 5.6079 5.6079 5.7148 5.7148 6.0477 6.0477 6.7169 6.7169 6.8496 6.8496 7.1329 7.1329 9.5758 9.5758 10.2345 10.2345 10.4757 10.4757 11.4576 11.4576 11.8213 11.8213 12.2037 12.2037 k =-0.1594 0.3694 0.4023 ( 7008 PWs) bands (ev): -53.9728 -53.9728 -28.3316 -28.3316 -20.7393 -20.7393 -20.6080 -20.6080 -19.1850 -19.1850 -19.1707 -19.1707 -6.0426 -6.0426 -5.9324 -5.9324 -5.1389 -5.1389 -4.5292 -4.5292 -4.0954 -4.0954 -3.9724 -3.9724 -3.7585 -3.7585 -3.5032 -3.5032 -2.8457 -2.8457 -2.7665 -2.7665 3.2359 3.2359 4.0504 4.0504 4.4628 4.4628 4.9156 4.9156 5.1093 5.1093 5.3564 5.3564 5.6314 5.6314 5.7327 5.7327 6.0886 6.0886 6.7058 6.7058 6.8602 6.8602 7.1514 7.1514 9.5481 9.5481 10.1379 10.1379 10.3541 10.3541 11.4184 11.4184 11.7440 11.7440 12.1949 12.1949 k =-0.1518 0.3518 0.3832 ( 7004 PWs) bands (ev): -53.9728 -53.9728 -28.3315 -28.3315 -20.7386 -20.7386 -20.6078 -20.6078 -19.1856 -19.1856 -19.1707 -19.1707 -6.0480 -6.0480 -5.9232 -5.9232 -5.1516 -5.1516 -4.5161 -4.5161 -4.0909 -4.0909 -3.9860 -3.9860 -3.7582 -3.7582 -3.5100 -3.5100 -2.8534 -2.8534 -2.7810 -2.7810 3.3006 3.3006 4.0818 4.0818 4.4562 4.4562 4.9225 4.9225 5.1239 5.1239 5.4056 5.4056 5.6586 5.6586 5.7519 5.7519 6.1327 6.1327 6.6907 6.6907 6.8744 6.8744 7.1693 7.1693 9.5205 9.5205 10.0425 10.0425 10.2308 10.2308 11.3768 11.3768 11.6642 11.6642 12.1728 12.1728 k =-0.1442 0.3342 0.3640 ( 6992 PWs) bands (ev): -53.9728 -53.9728 -28.3314 -28.3314 -20.7378 -20.7378 -20.6076 -20.6076 -19.1862 -19.1862 -19.1707 -19.1707 -6.0538 -6.0538 -5.9139 -5.9139 -5.1640 -5.1640 -4.5024 -4.5024 -4.0863 -4.0863 -3.9994 -3.9994 -3.7580 -3.7580 -3.5174 -3.5174 -2.8620 -2.8620 -2.7958 -2.7958 3.3671 3.3671 4.1148 4.1148 4.4510 4.4510 4.9284 4.9284 5.1384 5.1384 5.4577 5.4577 5.6897 5.6897 5.7720 5.7720 6.1800 6.1800 6.6725 6.6725 6.8912 6.8912 7.1864 7.1864 9.4932 9.4932 9.9479 9.9479 10.1079 10.1079 11.3332 11.3332 11.5839 11.5839 12.1319 12.1319 k =-0.1366 0.3166 0.3448 ( 6984 PWs) bands (ev): -53.9728 -53.9728 -28.3312 -28.3312 -20.7371 -20.7371 -20.6074 -20.6074 -19.1867 -19.1867 -19.1708 -19.1708 -6.0598 -6.0598 -5.9045 -5.9045 -5.1761 -5.1761 -4.4881 -4.4881 -4.0818 -4.0818 -4.0118 -4.0118 -3.7580 -3.7580 -3.5256 -3.5256 -2.8715 -2.8715 -2.8105 -2.8105 3.4346 3.4346 4.1490 4.1490 4.4474 4.4474 4.9329 4.9329 5.1533 5.1533 5.5123 5.5123 5.7246 5.7246 5.7932 5.7932 6.2305 6.2305 6.6519 6.6519 6.9099 6.9099 7.2025 7.2025 9.4662 9.4662 9.8529 9.8529 9.9883 9.9883 11.2877 11.2877 11.5043 11.5043 12.0738 12.0738 k =-0.1290 0.2990 0.3257 ( 6986 PWs) bands (ev): -53.9728 -53.9728 -28.3311 -28.3311 -20.7364 -20.7364 -20.6073 -20.6073 -19.1873 -19.1873 -19.1708 -19.1708 -6.0661 -6.0661 -5.8952 -5.8952 -5.1878 -5.1878 -4.4734 -4.4734 -4.0788 -4.0788 -4.0221 -4.0221 -3.7582 -3.7582 -3.5347 -3.5347 -2.8822 -2.8822 -2.8246 -2.8246 3.5023 3.5023 4.1837 4.1837 4.4456 4.4456 4.9358 4.9358 5.1688 5.1688 5.5689 5.5689 5.7630 5.7630 5.8157 5.8157 6.2841 6.2841 6.6290 6.6290 6.9300 6.9300 7.2174 7.2174 9.4392 9.4392 9.7543 9.7543 9.8767 9.8767 11.2406 11.2406 11.4262 11.4262 12.0038 12.0038 k =-0.1215 0.2814 0.3065 ( 6986 PWs) bands (ev): -53.9728 -53.9728 -28.3310 -28.3310 -20.7356 -20.7356 -20.6071 -20.6071 -19.1879 -19.1879 -19.1709 -19.1709 -6.0725 -6.0725 -5.8860 -5.8860 -5.1990 -5.1990 -4.4582 -4.4582 -4.0788 -4.0788 -4.0281 -4.0281 -3.7585 -3.7585 -3.5450 -3.5450 -2.8942 -2.8942 -2.8376 -2.8376 3.5696 3.5696 4.2183 4.2183 4.4459 4.4459 4.9368 4.9368 5.1853 5.1853 5.6272 5.6272 5.8032 5.8032 5.8410 5.8410 6.3407 6.3407 6.6042 6.6042 6.9510 6.9510 7.2311 7.2311 9.4119 9.4119 9.6488 9.6488 9.7782 9.7782 11.1922 11.1922 11.3501 11.3501 11.9263 11.9263 k =-0.1139 0.2638 0.2874 ( 6986 PWs) bands (ev): -53.9728 -53.9728 -28.3309 -28.3309 -20.7349 -20.7349 -20.6070 -20.6070 -19.1885 -19.1885 -19.1709 -19.1709 -6.0791 -6.0791 -5.8771 -5.8771 -5.2097 -5.2097 -4.4427 -4.4427 -4.0833 -4.0833 -4.0283 -4.0283 -3.7591 -3.7591 -3.5565 -3.5565 -2.9076 -2.9076 -2.8492 -2.8492 3.6357 3.6357 4.2520 4.2520 4.4490 4.4490 4.9357 4.9357 5.2030 5.2030 5.6868 5.6868 5.8396 5.8396 5.8740 5.8740 6.4000 6.4000 6.5775 6.5775 6.9727 6.9727 7.2433 7.2433 9.3825 9.3825 9.5378 9.5378 9.6943 9.6943 11.1428 11.1428 11.2764 11.2764 11.8446 11.8446 k =-0.1063 0.2463 0.2682 ( 6990 PWs) bands (ev): -53.9728 -53.9728 -28.3309 -28.3309 -20.7342 -20.7342 -20.6068 -20.6068 -19.1890 -19.1890 -19.1710 -19.1710 -6.0857 -6.0857 -5.8684 -5.8684 -5.2199 -5.2199 -4.4269 -4.4269 -4.0912 -4.0912 -4.0238 -4.0238 -3.7599 -3.7599 -3.5692 -3.5692 -2.9223 -2.9223 -2.8591 -2.8591 3.7000 3.7000 4.2837 4.2837 4.4554 4.4554 4.9326 4.9326 5.2221 5.2221 5.7475 5.7475 5.8676 5.8676 5.9189 5.9189 6.4614 6.4614 6.5496 6.5496 6.9948 6.9948 7.2541 7.2541 9.3424 9.3424 9.4336 9.4336 9.6226 9.6226 11.0925 11.0925 11.2056 11.2056 11.7611 11.7611 k =-0.0987 0.2287 0.2491 ( 6990 PWs) bands (ev): -53.9728 -53.9728 -28.3308 -28.3308 -20.7335 -20.7335 -20.6067 -20.6067 -19.1895 -19.1895 -19.1711 -19.1711 -6.0923 -6.0923 -5.8600 -5.8600 -5.2294 -5.2294 -4.4110 -4.4110 -4.1003 -4.1003 -4.0163 -4.0163 -3.7610 -3.7610 -3.5833 -3.5833 -2.9381 -2.9381 -2.8674 -2.8674 3.7618 3.7618 4.3124 4.3124 4.4661 4.4661 4.9272 4.9272 5.2431 5.2431 5.8089 5.8089 5.8911 5.8911 5.9707 5.9707 6.5076 6.5076 6.5374 6.5374 7.0172 7.0172 7.2635 7.2635 9.2624 9.2624 9.3684 9.3684 9.5607 9.5607 11.0417 11.0417 11.1378 11.1378 11.6779 11.6779 k =-0.0911 0.2111 0.2299 ( 6984 PWs) bands (ev): -53.9728 -53.9728 -28.3306 -28.3306 -20.7328 -20.7328 -20.6065 -20.6065 -19.1900 -19.1900 -19.1712 -19.1712 -6.0988 -6.0988 -5.8520 -5.8520 -5.2384 -5.2384 -4.3952 -4.3952 -4.1093 -4.1093 -4.0073 -4.0073 -3.7622 -3.7622 -3.5985 -3.5985 -2.9546 -2.9546 -2.8744 -2.8744 3.8206 3.8206 4.3371 4.3371 4.4813 4.4813 4.9198 4.9198 5.2661 5.2661 5.8706 5.8706 5.9128 5.9128 6.0258 6.0258 6.4819 6.4819 6.5971 6.5971 7.0396 7.0396 7.2715 7.2715 9.1523 9.1523 9.3348 9.3348 9.5075 9.5075 10.9907 10.9907 11.0732 11.0732 11.5967 11.5967 k =-0.0835 0.1935 0.2107 ( 6984 PWs) bands (ev): -53.9728 -53.9728 -28.3305 -28.3305 -20.7322 -20.7322 -20.6063 -20.6063 -19.1905 -19.1905 -19.1712 -19.1712 -6.1052 -6.1052 -5.8445 -5.8445 -5.2466 -5.2466 -4.3796 -4.3796 -4.1173 -4.1173 -3.9973 -3.9973 -3.7637 -3.7637 -3.6149 -3.6149 -2.9712 -2.9712 -2.8801 -2.8801 3.8756 3.8756 4.3580 4.3580 4.5009 4.5009 4.9102 4.9102 5.2913 5.2913 5.9304 5.9304 5.9351 5.9351 6.0824 6.0824 6.4478 6.4478 6.6647 6.6647 7.0620 7.0620 7.2783 7.2783 9.0372 9.0372 9.3087 9.3087 9.4623 9.4623 10.9397 10.9397 11.0118 11.0118 11.5192 11.5192 k =-0.0759 0.1759 0.1916 ( 6976 PWs) bands (ev): -53.9728 -53.9728 -28.3304 -28.3304 -20.7315 -20.7315 -20.6062 -20.6062 -19.1910 -19.1910 -19.1713 -19.1713 -6.1114 -6.1114 -5.8375 -5.8375 -5.2542 -5.2542 -4.3645 -4.3645 -4.1239 -4.1239 -3.9869 -3.9869 -3.7655 -3.7655 -3.6322 -3.6322 -2.9878 -2.9878 -2.8848 -2.8848 3.9263 3.9263 4.3760 4.3760 4.5235 4.5235 4.8985 4.8985 5.3190 5.3190 5.9519 5.9519 5.9938 5.9938 6.1392 6.1392 6.4113 6.4113 6.7333 6.7333 7.0844 7.0844 7.2841 7.2841 8.9235 8.9235 9.2854 9.2854 9.4246 9.4246 10.8893 10.8893 10.9537 10.9537 11.4465 11.4465 k =-0.0683 0.1583 0.1724 ( 6968 PWs) bands (ev): -53.9728 -53.9728 -28.3303 -28.3303 -20.7309 -20.7309 -20.6060 -20.6060 -19.1914 -19.1914 -19.1714 -19.1714 -6.1172 -6.1172 -5.8310 -5.8310 -5.2612 -5.2612 -4.3503 -4.3503 -4.1286 -4.1286 -3.9763 -3.9763 -3.7675 -3.7675 -3.6501 -3.6501 -3.0039 -3.0039 -2.8886 -2.8886 3.9723 3.9723 4.3927 4.3927 4.5475 4.5475 4.8850 4.8850 5.3493 5.3493 5.9696 5.9696 6.0535 6.0535 6.1953 6.1953 6.3732 6.3732 6.8011 6.8011 7.1069 7.1069 7.2891 7.2891 8.8133 8.8133 9.2640 9.2640 9.3936 9.3936 10.8402 10.8402 10.8989 10.8989 11.3797 11.3797 k =-0.0607 0.1407 0.1533 ( 6964 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7304 -20.7304 -20.6059 -20.6059 -19.1918 -19.1918 -19.1715 -19.1715 -6.1227 -6.1227 -5.8251 -5.8251 -5.2674 -5.2674 -4.3374 -4.3374 -4.1312 -4.1312 -3.9658 -3.9658 -3.7698 -3.7698 -3.6684 -3.6684 -3.0192 -3.0192 -2.8916 -2.8916 4.0129 4.0129 4.4093 4.4093 4.5714 4.5714 4.8698 4.8698 5.3820 5.3820 5.9855 5.9855 6.1110 6.1110 6.2495 6.2495 6.3340 6.3340 6.8664 6.8664 7.1302 7.1302 7.2936 7.2936 8.7078 8.7078 9.2446 9.2446 9.3685 9.3685 10.7930 10.7930 10.8474 10.8474 11.3195 11.3195 k =-0.0531 0.1231 0.1341 ( 6964 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7300 -20.7300 -20.6057 -20.6057 -19.1921 -19.1921 -19.1715 -19.1715 -6.1278 -6.1278 -5.8198 -5.8198 -5.2729 -5.2729 -4.3261 -4.3261 -4.1315 -4.1315 -3.9558 -3.9558 -3.7722 -3.7722 -3.6865 -3.6865 -3.0335 -3.0335 -2.8940 -2.8940 4.0480 4.0480 4.4268 4.4268 4.5940 4.5940 4.8530 4.8530 5.4170 5.4170 5.9993 5.9993 6.1645 6.1645 6.2946 6.2946 6.3012 6.3012 6.9265 6.9265 7.1549 7.1549 7.2980 7.2980 8.6085 8.6085 9.2275 9.2275 9.3484 9.3484 10.7485 10.7485 10.7996 10.7996 11.2664 11.2664 k =-0.0455 0.1055 0.1149 ( 6968 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7295 -20.7295 -20.6056 -20.6056 -19.1924 -19.1924 -19.1716 -19.1716 -6.1323 -6.1323 -5.8152 -5.8152 -5.2776 -5.2776 -4.3166 -4.3166 -4.1294 -4.1294 -3.9465 -3.9465 -3.7749 -3.7749 -3.7040 -3.7040 -3.0465 -3.0465 -2.8959 -2.8959 4.0773 4.0773 4.4453 4.4453 4.6146 4.6146 4.8351 4.8351 5.4537 5.4537 6.0105 6.0105 6.2086 6.2086 6.2612 6.2612 6.3488 6.3488 6.9787 6.9787 7.1822 7.1822 7.3024 7.3024 8.5166 8.5166 9.2129 9.2129 9.3325 9.3325 10.7076 10.7076 10.7558 10.7558 11.2206 11.2206 k =-0.0380 0.0879 0.0958 ( 6968 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7292 -20.7292 -20.6055 -20.6055 -19.1927 -19.1927 -19.1716 -19.1716 -6.1363 -6.1363 -5.8113 -5.8113 -5.2817 -5.2817 -4.3091 -4.3091 -4.1254 -4.1254 -3.9382 -3.9382 -3.7777 -3.7777 -3.7204 -3.7204 -3.0580 -3.0580 -2.8973 -2.8973 4.1010 4.1010 4.4649 4.4649 4.6327 4.6327 4.8164 4.8164 5.4913 5.4913 6.0184 6.0184 6.2051 6.2051 6.2715 6.2715 6.3922 6.3922 7.0206 7.0206 7.2126 7.2126 7.3069 7.3069 8.4336 8.4336 9.2010 9.2010 9.3200 9.3200 10.6709 10.6709 10.7168 10.7168 11.1823 11.1823 k =-0.0304 0.0704 0.0766 ( 6985 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7290 -20.7290 -20.6055 -20.6055 -19.1929 -19.1929 -19.1717 -19.1717 -6.1396 -6.1396 -5.8080 -5.8080 -5.2850 -5.2850 -4.3036 -4.3036 -4.1199 -4.1199 -3.9312 -3.9312 -3.7804 -3.7804 -3.7349 -3.7349 -3.0677 -3.0677 -2.8983 -2.8983 4.1194 4.1194 4.4846 4.4846 4.6483 4.6483 4.7975 4.7975 5.5283 5.5283 6.0218 6.0218 6.1744 6.1744 6.3063 6.3063 6.4301 6.4301 7.0513 7.0513 7.2447 7.2447 7.3115 7.3115 8.3614 8.3614 9.1916 9.1916 9.3104 9.3104 10.6395 10.6395 10.6832 10.6832 11.1513 11.1513 k =-0.0228 0.0528 0.0575 ( 6971 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7287 -20.7287 -20.6054 -20.6054 -19.1931 -19.1931 -19.1717 -19.1717 -6.1422 -6.1422 -5.8054 -5.8054 -5.2876 -5.2876 -4.2996 -4.2996 -4.1140 -4.1140 -3.9259 -3.9259 -3.7829 -3.7829 -3.7469 -3.7469 -3.0755 -3.0755 -2.8991 -2.8991 4.1331 4.1331 4.5033 4.5033 4.6612 4.6612 4.7792 4.7792 5.5629 5.5629 6.0195 6.0195 6.1480 6.1480 6.3364 6.3364 6.4615 6.4615 7.0722 7.0722 7.2754 7.2754 7.3159 7.3159 8.3020 8.3020 9.1845 9.1845 9.3034 9.3034 10.6140 10.6140 10.6560 10.6560 11.1275 11.1275 k =-0.0152 0.0352 0.0383 ( 6975 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7285 -20.7285 -20.6053 -20.6053 -19.1932 -19.1932 -19.1717 -19.1717 -6.1441 -6.1441 -5.8036 -5.8036 -5.2894 -5.2894 -4.2971 -4.2971 -4.1087 -4.1087 -3.9222 -3.9222 -3.7849 -3.7849 -3.7559 -3.7559 -3.0812 -3.0812 -2.8996 -2.8996 4.1424 4.1424 4.5191 4.5191 4.6714 4.6714 4.7630 4.7630 5.5920 5.5920 6.0120 6.0120 6.1303 6.1303 6.3588 6.3588 6.4850 6.4850 7.0854 7.0854 7.3006 7.3006 7.3197 7.3197 8.2574 8.2574 9.1797 9.1797 9.2987 9.2987 10.5953 10.5953 10.6358 10.6358 11.1107 11.1107 k =-0.0076 0.0176 0.0192 ( 6973 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7284 -20.7284 -20.6053 -20.6053 -19.1933 -19.1933 -19.1718 -19.1718 -6.1453 -6.1453 -5.8025 -5.8025 -5.2906 -5.2906 -4.2957 -4.2957 -4.1051 -4.1051 -3.9201 -3.9201 -3.7861 -3.7861 -3.7615 -3.7615 -3.0847 -3.0847 -2.8998 -2.8998 4.1478 4.1478 4.5299 4.5299 4.6786 4.6786 4.7511 4.7511 5.6121 5.6121 6.0035 6.0035 6.1212 6.1212 6.3724 6.3724 6.4997 6.4997 7.0927 7.0927 7.3171 7.3171 7.3222 7.3222 8.2297 8.2297 9.1768 9.1768 9.2959 9.2959 10.5838 10.5838 10.6233 10.6233 11.1007 11.1007 k = 0.0000 0.0000 0.0000 ( 6961 PWs) bands (ev): -53.9728 -53.9728 -28.3299 -28.3299 -20.7284 -20.7284 -20.6053 -20.6053 -19.1933 -19.1933 -19.1718 -19.1718 -6.1457 -6.1457 -5.8021 -5.8021 -5.2909 -5.2909 -4.2953 -4.2953 -4.1037 -4.1037 -3.9194 -3.9194 -3.7866 -3.7866 -3.7635 -3.7635 -3.0859 -3.0859 -2.8999 -2.8999 4.1496 4.1496 4.5337 4.5337 4.6813 4.6813 4.7465 4.7465 5.6193 5.6193 5.9997 5.9997 6.1185 6.1185 6.3770 6.3770 6.5047 6.5047 7.0950 7.0950 7.3228 7.3228 7.3232 7.3232 8.2203 8.2203 9.1759 9.1759 9.2950 9.2950 10.5799 10.5799 10.6191 10.6191 11.0974 11.0974 k = 0.0000 0.0000 0.0000 ( 6961 PWs) bands (ev): -53.9728 -53.9728 -28.3299 -28.3299 -20.7284 -20.7284 -20.6053 -20.6053 -19.1933 -19.1933 -19.1718 -19.1718 -6.1457 -6.1457 -5.8021 -5.8021 -5.2909 -5.2909 -4.2953 -4.2953 -4.1037 -4.1037 -3.9194 -3.9194 -3.7866 -3.7866 -3.7635 -3.7635 -3.0859 -3.0859 -2.8999 -2.8999 4.1496 4.1496 4.5337 4.5337 4.6813 4.6813 4.7465 4.7465 5.6193 5.6193 5.9997 5.9997 6.1185 6.1185 6.3770 6.3770 6.5047 6.5047 7.0950 7.0950 7.3228 7.3228 7.3232 7.3232 8.2203 8.2203 9.1759 9.1759 9.2950 9.2950 10.5799 10.5799 10.6191 10.6191 11.0974 11.0974 k = 0.0250 0.0108-0.0000 ( 6973 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7284 -20.7284 -20.6053 -20.6053 -19.1932 -19.1932 -19.1718 -19.1718 -6.1456 -6.1456 -5.8026 -5.8026 -5.2906 -5.2906 -4.2953 -4.2953 -4.1044 -4.1044 -3.9168 -3.9168 -3.7871 -3.7871 -3.7629 -3.7629 -3.0878 -3.0878 -2.9002 -2.9002 4.1497 4.1497 4.5339 4.5339 4.6817 4.6817 4.7494 4.7494 5.6194 5.6194 5.9998 5.9998 6.1187 6.1187 6.3762 6.3762 6.5037 6.5037 7.0927 7.0927 7.3189 7.3189 7.3220 7.3220 8.2204 8.2204 9.1800 9.1800 9.2991 9.2991 10.5829 10.5829 10.6095 10.6095 11.1036 11.1036 k = 0.0500 0.0216-0.0000 ( 6981 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7284 -20.7284 -20.6053 -20.6053 -19.1932 -19.1932 -19.1719 -19.1719 -6.1455 -6.1455 -5.8040 -5.8040 -5.2898 -5.2898 -4.2953 -4.2953 -4.1061 -4.1061 -3.9092 -3.9092 -3.7886 -3.7886 -3.7613 -3.7613 -3.0933 -3.0933 -2.9012 -2.9012 4.1501 4.1501 4.5342 4.5342 4.6829 4.6829 4.7575 4.7575 5.6199 5.6199 6.0003 6.0003 6.1190 6.1190 6.3740 6.3740 6.5007 6.5007 7.0859 7.0859 7.3065 7.3065 7.3196 7.3196 8.2206 8.2206 9.1923 9.1923 9.3115 9.3115 10.5828 10.5828 10.5915 10.5915 11.1221 11.1221 k = 0.0750 0.0324-0.0000 ( 6977 PWs) bands (ev): -53.9728 -53.9728 -28.3300 -28.3300 -20.7284 -20.7284 -20.6053 -20.6053 -19.1930 -19.1930 -19.1721 -19.1721 -6.1454 -6.1454 -5.8063 -5.8063 -5.2884 -5.2884 -4.2953 -4.2953 -4.1085 -4.1085 -3.8970 -3.8970 -3.7908 -3.7908 -3.7591 -3.7591 -3.1023 -3.1023 -2.9031 -2.9031 4.1509 4.1509 4.5348 4.5348 4.6857 4.6857 4.7703 4.7703 5.6207 5.6207 6.0011 6.0011 6.1196 6.1196 6.3703 6.3703 6.4957 6.4957 7.0742 7.0742 7.2869 7.2869 7.3158 7.3158 8.2210 8.2210 9.2124 9.2124 9.3318 9.3318 10.5438 10.5438 10.6053 10.6053 11.1523 11.1523 k = 0.1000 0.0432-0.0000 ( 7009 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7285 -20.7285 -20.6054 -20.6054 -19.1928 -19.1928 -19.1723 -19.1723 -6.1452 -6.1452 -5.8093 -5.8093 -5.2865 -5.2865 -4.2953 -4.2953 -4.1112 -4.1112 -3.8810 -3.8810 -3.7934 -3.7934 -3.7565 -3.7565 -3.1143 -3.1143 -2.9061 -2.9061 4.1518 4.1518 4.5356 4.5356 4.6907 4.6907 4.7868 4.7868 5.6217 5.6217 6.0022 6.0022 6.1206 6.1206 6.3650 6.3650 6.4888 6.4888 7.0571 7.0571 7.2620 7.2620 7.3110 7.3110 8.2215 8.2215 9.2398 9.2398 9.3596 9.3596 10.4973 10.4973 10.6238 10.6238 11.1934 11.1934 k = 0.1250 0.0539-0.0000 ( 7013 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7285 -20.7285 -20.6054 -20.6054 -19.1925 -19.1925 -19.1726 -19.1726 -6.1450 -6.1450 -5.8131 -5.8131 -5.2841 -5.2841 -4.2953 -4.2953 -4.1136 -4.1136 -3.8616 -3.8616 -3.7961 -3.7961 -3.7537 -3.7537 -3.1288 -3.1288 -2.9104 -2.9104 4.1530 4.1530 4.5367 4.5367 4.6981 4.6981 4.8063 4.8063 5.6231 5.6231 6.0038 6.0038 6.1218 6.1218 6.3581 6.3581 6.4800 6.4800 7.0338 7.0338 7.2341 7.2341 7.3053 7.3053 8.2221 8.2221 9.2738 9.2738 9.3941 9.3941 10.4470 10.4470 10.6462 10.6462 11.2440 11.2440 k = 0.1500 0.0647-0.0000 ( 7009 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7285 -20.7285 -20.6054 -20.6054 -19.1921 -19.1921 -19.1729 -19.1729 -6.1447 -6.1447 -5.8174 -5.8174 -5.2815 -5.2815 -4.2953 -4.2953 -4.1155 -4.1155 -3.8395 -3.8395 -3.7989 -3.7989 -3.7508 -3.7508 -3.1453 -3.1453 -2.9164 -2.9164 4.1544 4.1544 4.5379 4.5379 4.7082 4.7082 4.8283 4.8283 5.6246 5.6246 6.0058 6.0058 6.1234 6.1234 6.3496 6.3496 6.4694 6.4694 7.0033 7.0033 7.2059 7.2059 7.2992 7.2992 8.2229 8.2229 9.3136 9.3136 9.4345 9.4345 10.3952 10.3952 10.6720 10.6720 11.3021 11.3021 k = 0.1750 0.0755-0.0000 ( 7017 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6055 -20.6055 -19.1917 -19.1917 -19.1733 -19.1733 -6.1444 -6.1444 -5.8221 -5.8221 -5.2786 -5.2786 -4.2953 -4.2953 -4.1166 -4.1166 -3.8151 -3.8151 -3.8017 -3.8017 -3.7479 -3.7479 -3.1634 -3.1634 -2.9242 -2.9242 4.1559 4.1559 4.5392 4.5392 4.7210 4.7210 4.8522 4.8522 5.6264 5.6264 6.0084 6.0084 6.1255 6.1255 6.3395 6.3395 6.4571 6.4571 6.9651 6.9651 7.1797 7.1797 7.2930 7.2930 8.2236 8.2236 9.3583 9.3583 9.4800 9.4800 10.3437 10.3437 10.7005 10.7005 11.3652 11.3652 k = 0.2000 0.0863-0.0000 ( 7029 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6055 -20.6055 -19.1912 -19.1912 -19.1738 -19.1738 -6.1442 -6.1442 -5.8271 -5.8271 -5.2755 -5.2755 -4.2953 -4.2953 -4.1168 -4.1168 -3.8045 -3.8045 -3.7889 -3.7889 -3.7451 -3.7451 -3.1824 -3.1824 -2.9339 -2.9339 4.1576 4.1576 4.5407 4.5407 4.7363 4.7363 4.8776 4.8776 5.6283 5.6283 6.0116 6.0116 6.1281 6.1281 6.3279 6.3279 6.4432 6.4432 6.9198 6.9198 7.1568 7.1568 7.2870 7.2870 8.2245 8.2245 9.4068 9.4068 9.5295 9.5295 10.2936 10.2936 10.7313 10.7313 11.4300 11.4300 k = 0.2250 0.0971-0.0000 ( 7037 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1907 -19.1907 -19.1743 -19.1743 -6.1439 -6.1439 -5.8322 -5.8322 -5.2724 -5.2724 -4.2953 -4.2953 -4.1161 -4.1161 -3.8071 -3.8071 -3.7613 -3.7613 -3.7424 -3.7424 -3.2020 -3.2020 -2.9456 -2.9456 4.1593 4.1593 4.5423 4.5423 4.7538 4.7538 4.9039 4.9039 5.6303 5.6303 6.0154 6.0154 6.1313 6.1313 6.3148 6.3148 6.4280 6.4280 6.8687 6.8687 7.1376 7.1376 7.2815 7.2815 8.2253 8.2253 9.4580 9.4580 9.5820 9.5820 10.2457 10.2457 10.7638 10.7638 11.4846 11.4846 k = 0.2500 0.1079-0.0000 ( 7017 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6055 -20.6055 -19.1902 -19.1902 -19.1749 -19.1749 -6.1437 -6.1437 -5.8373 -5.8373 -5.2693 -5.2693 -4.2953 -4.2953 -4.1146 -4.1146 -3.8095 -3.8095 -3.7398 -3.7398 -3.7329 -3.7329 -3.2215 -3.2215 -2.9591 -2.9591 4.1610 4.1610 4.5439 4.5439 4.7733 4.7733 4.9306 4.9306 5.6324 5.6324 6.0199 6.0199 6.1350 6.1350 6.3003 6.3003 6.4117 6.4117 6.8138 6.8138 7.1216 7.1216 7.2765 7.2765 8.2262 8.2262 9.5109 9.5109 9.6362 9.6362 10.2007 10.2007 10.7975 10.7975 11.5124 11.5124 k = 0.2750 0.1187-0.0000 ( 7009 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6055 -20.6055 -19.1896 -19.1896 -19.1755 -19.1755 -6.1435 -6.1435 -5.8424 -5.8424 -5.2663 -5.2663 -4.2953 -4.2953 -4.1122 -4.1122 -3.8118 -3.8118 -3.7374 -3.7374 -3.7040 -3.7040 -3.2405 -3.2405 -2.9744 -2.9744 4.1627 4.1627 4.5456 4.5456 4.7942 4.7942 4.9573 4.9573 5.6344 5.6344 6.0253 6.0253 6.1395 6.1395 6.2847 6.2847 6.3945 6.3945 6.7570 6.7570 7.1086 7.1086 7.2722 7.2722 8.2270 8.2270 9.5642 9.5642 9.6910 9.6910 10.1591 10.1591 10.8317 10.8317 11.5350 11.5350 k = 0.3000 0.1295-0.0000 ( 7001 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6055 -20.6055 -19.1889 -19.1889 -19.1761 -19.1761 -6.1433 -6.1433 -5.8471 -5.8471 -5.2634 -5.2634 -4.2953 -4.2953 -4.1092 -4.1092 -3.8140 -3.8140 -3.7352 -3.7352 -3.6753 -3.6753 -3.2584 -3.2584 -2.9912 -2.9912 4.1644 4.1644 4.5472 4.5472 4.8159 4.8159 4.9833 4.9833 5.6365 5.6365 6.0316 6.0316 6.1448 6.1448 6.2682 6.2682 6.3768 6.3768 6.7003 6.7003 7.0979 7.0979 7.2686 7.2686 8.2279 8.2279 9.6167 9.6167 9.7449 9.7449 10.1213 10.1213 10.8657 10.8657 11.5532 11.5532 k = 0.3250 0.1403-0.0000 ( 7001 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6055 -20.6055 -19.1882 -19.1882 -19.1768 -19.1768 -6.1431 -6.1431 -5.8515 -5.8515 -5.2607 -5.2607 -4.2953 -4.2953 -4.1058 -4.1058 -3.8159 -3.8159 -3.7332 -3.7332 -3.6473 -3.6473 -3.2746 -3.2746 -3.0092 -3.0092 4.1660 4.1660 4.5487 4.5487 4.8378 4.8378 5.0082 5.0082 5.6384 5.6384 6.0387 6.0387 6.1508 6.1508 6.2509 6.2509 6.3587 6.3587 6.6454 6.6454 7.0893 7.0893 7.2657 7.2657 8.2286 8.2286 9.6672 9.6672 9.7966 9.7966 10.0877 10.0877 10.8985 10.8985 11.5676 11.5676 k = 0.3500 0.1510-0.0000 ( 7017 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6056 -20.6056 -19.1875 -19.1875 -19.1775 -19.1775 -6.1430 -6.1430 -5.8555 -5.8555 -5.2583 -5.2583 -4.2954 -4.2954 -4.1021 -4.1021 -3.8175 -3.8175 -3.7315 -3.7315 -3.6207 -3.6207 -3.2887 -3.2887 -3.0281 -3.0281 4.1674 4.1674 4.5502 4.5502 4.8592 4.8592 5.0315 5.0315 5.6402 5.6402 6.0468 6.0468 6.1576 6.1576 6.2332 6.2332 6.3408 6.3408 6.5937 6.5937 7.0824 7.0824 7.2635 7.2635 8.2293 8.2293 9.7145 9.7145 9.8443 9.8443 10.0590 10.0590 10.9291 10.9291 11.5790 11.5790 k = 0.3750 0.1618-0.0000 ( 7021 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6056 -20.6056 -19.1868 -19.1868 -19.1782 -19.1782 -6.1430 -6.1430 -5.8590 -5.8590 -5.2562 -5.2562 -4.2954 -4.2954 -4.0984 -4.0984 -3.8190 -3.8190 -3.7300 -3.7300 -3.5965 -3.5965 -3.2999 -3.2999 -3.0471 -3.0471 4.1687 4.1687 4.5515 4.5515 4.8793 4.8793 5.0525 5.0525 5.6418 5.6418 6.0558 6.0558 6.1651 6.1651 6.2154 6.2154 6.3232 6.3232 6.5469 6.5469 7.0770 7.0770 7.2617 7.2617 8.2300 8.2300 9.7571 9.7571 9.8861 9.8861 10.0359 10.0359 10.9564 10.9564 11.5880 11.5880 k = 0.4000 0.1726-0.0000 ( 7005 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7284 -20.7284 -20.6055 -20.6055 -19.1860 -19.1860 -19.1790 -19.1790 -6.1429 -6.1429 -5.8619 -5.8619 -5.2544 -5.2544 -4.2954 -4.2954 -4.0949 -4.0949 -3.8202 -3.8202 -3.7287 -3.7287 -3.5755 -3.5755 -3.3080 -3.3080 -3.0655 -3.0655 4.1698 4.1698 4.5526 4.5526 4.8972 4.8972 5.0708 5.0708 5.6431 5.6431 6.0658 6.0658 6.1733 6.1733 6.1977 6.1977 6.3064 6.3064 6.5062 6.5062 7.0728 7.0728 7.2605 7.2605 8.2305 8.2305 9.7941 9.7941 9.9192 9.9192 10.0202 10.0202 10.9794 10.9794 11.5949 11.5949 k = 0.4250 0.1834-0.0000 ( 7029 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1853 -19.1853 -19.1797 -19.1797 -6.1429 -6.1429 -5.8643 -5.8643 -5.2530 -5.2530 -4.2954 -4.2954 -4.0919 -4.0919 -3.8211 -3.8211 -3.7277 -3.7277 -3.5586 -3.5586 -3.3128 -3.3128 -3.0821 -3.0821 4.1706 4.1706 4.5535 4.5535 4.9122 4.9122 5.0857 5.0857 5.6442 5.6442 6.0765 6.0765 6.1807 6.1807 6.1818 6.1818 6.2910 6.2910 6.4730 6.4730 7.0698 7.0698 7.2596 7.2596 8.2309 8.2309 9.8241 9.8241 9.9395 9.9395 10.0148 10.0148 10.9974 10.9974 11.6000 11.6000 k = 0.4500 0.1942-0.0000 ( 7037 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1845 -19.1845 -19.1805 -19.1805 -6.1429 -6.1429 -5.8659 -5.8659 -5.2520 -5.2520 -4.2954 -4.2954 -4.0896 -4.0896 -3.8218 -3.8218 -3.7270 -3.7270 -3.5463 -3.5463 -3.3150 -3.3150 -3.0958 -3.0958 4.1713 4.1713 4.5541 4.5541 4.9234 4.9234 5.0968 5.0968 5.6450 5.6450 6.0874 6.0874 6.1651 6.1651 6.1900 6.1900 6.2777 6.2777 6.4484 6.4484 7.0677 7.0677 7.2591 7.2591 8.2312 8.2312 9.8463 9.8463 9.9463 9.9463 10.0194 10.0194 11.0102 11.0102 11.6036 11.6036 k = 0.4750 0.2050-0.0000 ( 7029 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1839 -19.1839 -19.1811 -19.1811 -6.1429 -6.1429 -5.8669 -5.8669 -5.2514 -5.2514 -4.2954 -4.2954 -4.0882 -4.0882 -3.8222 -3.8222 -3.7266 -3.7266 -3.5389 -3.5389 -3.3155 -3.3155 -3.1048 -3.1048 4.1717 4.1717 4.5545 4.5545 4.9305 4.9305 5.1037 5.1037 5.6455 5.6455 6.0970 6.0970 6.1525 6.1525 6.1965 6.1965 6.2681 6.2681 6.4333 6.4333 7.0665 7.0665 7.2588 7.2588 8.2314 8.2314 9.8600 9.8600 9.9465 9.9465 10.0264 10.0264 11.0177 11.0177 11.6057 11.6057 k = 0.5000 0.2158-0.0000 ( 7030 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1837 -19.1837 -19.1813 -19.1813 -6.1429 -6.1429 -5.8673 -5.8673 -5.2512 -5.2512 -4.2954 -4.2954 -4.0877 -4.0877 -3.8223 -3.8223 -3.7264 -3.7264 -3.5365 -3.5365 -3.3155 -3.3155 -3.1080 -3.1080 4.1718 4.1718 4.5547 4.5547 4.9328 4.9328 5.1060 5.1060 5.6457 5.6457 6.1015 6.1015 6.1470 6.1470 6.1992 6.1992 6.2644 6.2644 6.4282 6.4282 7.0661 7.0661 7.2587 7.2587 8.2314 8.2314 9.8646 9.8646 9.9459 9.9459 10.0294 10.0294 11.0201 11.0201 11.6064 11.6064 k = 0.5000 0.2158-0.0000 ( 7030 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1837 -19.1837 -19.1813 -19.1813 -6.1429 -6.1429 -5.8673 -5.8673 -5.2512 -5.2512 -4.2954 -4.2954 -4.0877 -4.0877 -3.8223 -3.8223 -3.7264 -3.7264 -3.5365 -3.5365 -3.3155 -3.3155 -3.1080 -3.1080 4.1718 4.1718 4.5547 4.5547 4.9328 4.9328 5.1060 5.1060 5.6457 5.6457 6.1015 6.1015 6.1470 6.1470 6.1992 6.1992 6.2644 6.2644 6.4282 6.4282 7.0661 7.0661 7.2587 7.2587 8.2314 8.2314 9.8646 9.8646 9.9459 9.9459 10.0294 10.0294 11.0201 11.0201 11.6064 11.6064 k = 0.4924 0.2333 0.0191 ( 7026 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1837 -19.1837 -19.1813 -19.1813 -6.1427 -6.1427 -5.8674 -5.8674 -5.2508 -5.2508 -4.2962 -4.2962 -4.0876 -4.0876 -3.8224 -3.8224 -3.7270 -3.7270 -3.5368 -3.5368 -3.3141 -3.3141 -3.1065 -3.1065 4.1708 4.1708 4.5533 4.5533 4.9312 4.9312 5.1058 5.1058 5.6381 5.6381 6.1007 6.1007 6.1439 6.1439 6.1974 6.1974 6.2609 6.2609 6.4385 6.4385 7.0617 7.0617 7.2529 7.2529 8.2407 8.2407 9.8644 9.8644 9.9488 9.9488 10.0302 10.0302 11.0216 11.0216 11.6123 11.6123 k = 0.4849 0.2508 0.0381 ( 7016 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7285 -20.7285 -20.6056 -20.6056 -19.1836 -19.1836 -19.1813 -19.1813 -6.1419 -6.1419 -5.8678 -5.8678 -5.2498 -5.2498 -4.2986 -4.2986 -4.0875 -4.0875 -3.8228 -3.8228 -3.7286 -3.7286 -3.5378 -3.5378 -3.3100 -3.3100 -3.1021 -3.1021 4.1677 4.1677 4.5491 4.5491 4.9264 4.9264 5.1053 5.1053 5.6165 5.6165 6.0982 6.0982 6.1354 6.1354 6.1925 6.1925 6.2504 6.2504 6.4671 6.4671 7.0486 7.0486 7.2360 7.2360 8.2681 8.2681 9.8639 9.8639 9.9569 9.9569 10.0329 10.0329 11.0261 11.0261 11.6291 11.6291 k = 0.4773 0.2683 0.0572 ( 7008 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7287 -20.7287 -20.6056 -20.6056 -19.1835 -19.1835 -19.1812 -19.1812 -6.1407 -6.1407 -5.8685 -5.8685 -5.2480 -5.2480 -4.3025 -4.3025 -4.0873 -4.0873 -3.8234 -3.8234 -3.7313 -3.7313 -3.5394 -3.5394 -3.3033 -3.3033 -3.0950 -3.0950 4.1623 4.1623 4.5423 4.5423 4.9181 4.9181 5.1043 5.1043 5.5836 5.5836 6.0929 6.0929 6.1235 6.1235 6.1856 6.1856 6.2334 6.2334 6.5096 6.5096 7.0271 7.0271 7.2101 7.2101 8.3120 8.3120 9.8634 9.8634 9.9685 9.9685 10.0394 10.0394 11.0334 11.0334 11.6468 11.6468 k = 0.4698 0.2858 0.0763 ( 7020 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7289 -20.7289 -20.6057 -20.6057 -19.1834 -19.1834 -19.1811 -19.1811 -6.1391 -6.1391 -5.8694 -5.8694 -5.2455 -5.2455 -4.3079 -4.3079 -4.0870 -4.0870 -3.8240 -3.8240 -3.7348 -3.7348 -3.5416 -3.5416 -3.2941 -3.2941 -3.0853 -3.0853 4.1543 4.1543 4.5333 4.5333 4.9063 4.9063 5.1029 5.1029 5.5427 5.5427 6.0807 6.0807 6.1121 6.1121 6.1784 6.1784 6.2106 6.2106 6.5613 6.5613 6.9971 6.9971 7.1778 7.1778 8.3704 8.3704 9.8629 9.8629 9.9805 9.9805 10.0528 10.0528 11.0432 11.0432 11.6634 11.6635 k = 0.4622 0.3033 0.0954 ( 7018 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7292 -20.7292 -20.6058 -20.6058 -19.1832 -19.1832 -19.1810 -19.1810 -6.1370 -6.1370 -5.8706 -5.8706 -5.2422 -5.2422 -4.3148 -4.3148 -4.0866 -4.0866 -3.8247 -3.8247 -3.7392 -3.7392 -3.5442 -3.5442 -3.2825 -3.2825 -3.0733 -3.0733 4.1433 4.1433 4.5222 4.5222 4.8905 4.8905 5.1011 5.1011 5.4973 5.4973 6.0585 6.0585 6.1031 6.1031 6.1726 6.1726 6.1831 6.1831 6.6183 6.6183 6.9589 6.9589 7.1424 7.1424 8.4412 8.4412 9.8630 9.8630 9.9901 9.9901 10.0761 10.0761 11.0555 11.0555 11.6830 11.6830 k = 0.4547 0.3209 0.1144 ( 7020 PWs) bands (ev): -53.9728 -53.9728 -28.3303 -28.3303 -20.7296 -20.7296 -20.6059 -20.6059 -19.1830 -19.1830 -19.1809 -19.1809 -6.1346 -6.1346 -5.8720 -5.8720 -5.2382 -5.2382 -4.3229 -4.3229 -4.0862 -4.0862 -3.8253 -3.8253 -3.7442 -3.7442 -3.5470 -3.5470 -3.2689 -3.2689 -3.0592 -3.0592 4.1286 4.1286 4.5098 4.5098 4.8705 4.8705 5.0986 5.0986 5.4503 5.4503 6.0280 6.0280 6.0933 6.0933 6.1504 6.1504 6.1715 6.1715 6.6774 6.6774 6.9128 6.9128 7.1068 7.1068 8.5226 8.5226 9.8640 9.8640 9.9970 9.9970 10.1095 10.1095 11.0699 11.0699 11.7048 11.7048 k = 0.4471 0.3384 0.1335 ( 7032 PWs) bands (ev): -53.9728 -53.9728 -28.3304 -28.3304 -20.7300 -20.7300 -20.6060 -20.6060 -19.1828 -19.1828 -19.1808 -19.1808 -6.1319 -6.1319 -5.8737 -5.8737 -5.2335 -5.2335 -4.3323 -4.3323 -4.0858 -4.0858 -3.8257 -3.8257 -3.7496 -3.7496 -3.5501 -3.5501 -3.2534 -3.2534 -3.0435 -3.0435 4.1096 4.1096 4.4965 4.4965 4.8459 4.8459 5.0955 5.0955 5.4040 5.4040 5.9912 5.9912 6.0801 6.0801 6.1160 6.1160 6.1740 6.1740 6.7342 6.7342 6.8619 6.8619 7.0730 7.0730 8.6127 8.6127 9.8665 9.8665 10.0029 10.0029 10.1515 10.1515 11.0860 11.0860 11.7282 11.7282 k = 0.4395 0.3559 0.1526 ( 7032 PWs) bands (ev): -53.9728 -53.9728 -28.3305 -28.3305 -20.7305 -20.7305 -20.6062 -20.6062 -19.1825 -19.1825 -19.1807 -19.1807 -6.1289 -6.1289 -5.8756 -5.8756 -5.2281 -5.2281 -4.3427 -4.3427 -4.0854 -4.0854 -3.8260 -3.8260 -3.7553 -3.7553 -3.5531 -3.5531 -3.2363 -3.2363 -3.0263 -3.0263 4.0856 4.0856 4.4831 4.4831 4.8166 4.8166 5.0918 5.0918 5.3601 5.3601 5.9492 5.9492 6.0618 6.0618 6.0810 6.0810 6.1807 6.1807 6.7636 6.7636 6.8312 6.8312 7.0418 7.0418 8.7102 8.7102 9.8709 9.8709 10.0094 10.0094 10.2005 10.2005 11.1037 11.1037 11.7527 11.7527 k = 0.4320 0.3734 0.1717 ( 7034 PWs) bands (ev): -53.9728 -53.9728 -28.3306 -28.3306 -20.7310 -20.7310 -20.6063 -20.6063 -19.1822 -19.1822 -19.1805 -19.1805 -6.1257 -6.1257 -5.8777 -5.8777 -5.2218 -5.2218 -4.3540 -4.3540 -4.0850 -4.0850 -3.8260 -3.8260 -3.7612 -3.7612 -3.5558 -3.5558 -3.2180 -3.2180 -3.0080 -3.0080 4.0560 4.0560 4.4703 4.4703 4.7825 4.7825 5.0873 5.0873 5.3200 5.3200 5.9030 5.9030 6.0328 6.0328 6.0527 6.0527 6.1908 6.1908 6.7174 6.7174 6.8692 6.8692 7.0134 7.0134 8.8139 8.8139 9.8776 9.8776 10.0177 10.0177 10.2557 10.2557 11.1226 11.1226 11.7778 11.7778 k = 0.4244 0.3909 0.1907 ( 7042 PWs) bands (ev): -53.9728 -53.9728 -28.3307 -28.3307 -20.7316 -20.7316 -20.6065 -20.6065 -19.1819 -19.1819 -19.1803 -19.1803 -6.1224 -6.1224 -5.8801 -5.8801 -5.2149 -5.2149 -4.3661 -4.3661 -4.0847 -4.0847 -3.8260 -3.8260 -3.7669 -3.7669 -3.5583 -3.5583 -3.1986 -3.1986 -2.9889 -2.9889 4.0202 4.0202 4.4585 4.4585 4.7439 4.7439 5.0820 5.0820 5.2842 5.2842 5.8536 5.8536 5.9952 5.9952 6.0302 6.0302 6.2034 6.2034 6.6525 6.6525 6.9184 6.9184 6.9889 6.9889 8.9228 8.9228 9.8867 9.8867 10.0287 10.0287 10.3164 10.3164 11.1425 11.1425 11.8035 11.8035 k = 0.4169 0.4084 0.2098 ( 7036 PWs) bands (ev): -53.9728 -53.9728 -28.3307 -28.3307 -20.7322 -20.7322 -20.6066 -20.6066 -19.1816 -19.1816 -19.1801 -19.1801 -6.1190 -6.1190 -5.8828 -5.8828 -5.2072 -5.2072 -4.3789 -4.3789 -4.0845 -4.0845 -3.8258 -3.8258 -3.7724 -3.7724 -3.5601 -3.5601 -3.1785 -3.1785 -2.9690 -2.9690 3.9781 3.9781 4.4479 4.4479 4.7017 4.7017 5.0759 5.0759 5.2528 5.2528 5.8017 5.8017 5.9558 5.9558 6.0077 6.0077 6.2183 6.2183 6.5846 6.5846 6.9461 6.9461 6.9859 6.9859 9.0360 9.0360 9.8977 9.8977 10.0438 10.0438 10.3821 10.3821 11.1632 11.1632 11.8298 11.8298 k = 0.4093 0.4259 0.2289 ( 7032 PWs) bands (ev): -53.9728 -53.9728 -28.3308 -28.3308 -20.7328 -20.7328 -20.6067 -20.6067 -19.1812 -19.1812 -19.1800 -19.1800 -6.1155 -6.1155 -5.8856 -5.8856 -5.1988 -5.1988 -4.3922 -4.3922 -4.0843 -4.0843 -3.8258 -3.8258 -3.7774 -3.7774 -3.5611 -3.5611 -3.1578 -3.1578 -2.9488 -2.9488 3.9298 3.9298 4.4386 4.4386 4.6569 4.6569 5.0690 5.0690 5.2256 5.2256 5.7482 5.7482 5.9166 5.9166 5.9844 5.9844 6.2349 6.2349 6.5167 6.5167 6.9304 6.9304 7.0236 7.0236 9.1528 9.1528 9.9100 9.9100 10.0644 10.0644 10.4522 10.4522 11.1844 11.1844 11.8570 11.8570 k = 0.4018 0.4434 0.2479 ( 7030 PWs) bands (ev): -53.9728 -53.9728 -28.3309 -28.3309 -20.7335 -20.7335 -20.6069 -20.6069 -19.1808 -19.1808 -19.1798 -19.1798 -6.1121 -6.1121 -5.8886 -5.8886 -5.1898 -5.1898 -4.4060 -4.4060 -4.0843 -4.0843 -3.8261 -3.8261 -3.7820 -3.7820 -3.5612 -3.5612 -3.1369 -3.1369 -2.9284 -2.9284 3.8756 3.8756 4.4299 4.4299 4.6111 4.6111 5.0612 5.0612 5.2021 5.2021 5.6937 5.6937 5.8782 5.8782 5.9604 5.9604 6.2531 6.2531 6.4499 6.4499 6.9091 6.9091 7.0632 7.0632 9.2724 9.2724 9.9227 9.9227 10.0918 10.0918 10.5264 10.5264 11.2060 11.2060 11.8851 11.8851 k = 0.3942 0.4609 0.2670 ( 7024 PWs) bands (ev): -53.9728 -53.9728 -28.3310 -28.3310 -20.7342 -20.7342 -20.6070 -20.6070 -19.1804 -19.1804 -19.1796 -19.1796 -6.1087 -6.1087 -5.8919 -5.8919 -5.1801 -5.1801 -4.4200 -4.4200 -4.0844 -4.0844 -3.8268 -3.8268 -3.7858 -3.7858 -3.5602 -3.5602 -3.1159 -3.1159 -2.9079 -2.9079 3.8162 3.8162 4.4204 4.4204 4.5666 4.5666 5.0526 5.0526 5.1817 5.1817 5.6389 5.6389 5.8413 5.8413 5.9359 5.9359 6.2726 6.2726 6.3852 6.3852 6.8880 6.8880 7.0984 7.0984 9.3941 9.3941 9.9349 9.9349 10.1272 10.1272 10.6040 10.6040 11.2279 11.2279 11.9145 11.9145 k = 0.3866 0.4785 0.2861 ( 7006 PWs) bands (ev): -53.9728 -53.9728 -28.3310 -28.3310 -20.7348 -20.7348 -20.6071 -20.6071 -19.1800 -19.1800 -19.1794 -19.1794 -6.1054 -6.1054 -5.8953 -5.8953 -5.1698 -5.1698 -4.4342 -4.4342 -4.0846 -4.0846 -3.8281 -3.8281 -3.7889 -3.7889 -3.5579 -3.5579 -3.0950 -3.0950 -2.8875 -2.8875 3.7524 3.7524 4.4070 4.4070 4.5271 4.5271 5.0433 5.0433 5.1638 5.1638 5.5842 5.5842 5.8061 5.8061 5.9111 5.9111 6.2920 6.2920 6.3245 6.3245 6.8676 6.8676 7.1283 7.1283 9.5171 9.5171 9.9465 9.9465 10.1711 10.1711 10.6847 10.6847 11.2501 11.2501 11.9452 11.9452 k = 0.3791 0.4960 0.3052 ( 6998 PWs) bands (ev): -53.9728 -53.9728 -28.3311 -28.3311 -20.7355 -20.7355 -20.6073 -20.6073 -19.1796 -19.1796 -19.1791 -19.1791 -6.1022 -6.1022 -5.8989 -5.8989 -5.1590 -5.1590 -4.4485 -4.4485 -4.0849 -4.0849 -3.8302 -3.8302 -3.7912 -3.7912 -3.5543 -3.5543 -3.0744 -3.0744 -2.8674 -2.8674 3.6850 3.6850 4.3848 4.3848 4.4981 4.4981 5.0331 5.0331 5.1478 5.1478 5.5302 5.5302 5.7730 5.7730 5.8862 5.8862 6.2616 6.2616 6.3175 6.3175 6.8482 6.8482 7.1528 7.1528 9.6400 9.6400 9.9580 9.9580 10.2233 10.2233 10.7678 10.7678 11.2727 11.2727 11.9767 11.9767 k = 0.3715 0.5135 0.3242 ( 6998 PWs) bands (ev): -53.9728 -53.9728 -28.3312 -28.3312 -20.7363 -20.7363 -20.6074 -20.6074 -19.1793 -19.1793 -19.1789 -19.1789 -6.0990 -6.0990 -5.9027 -5.9027 -5.1478 -5.1478 -4.4628 -4.4628 -4.0853 -4.0853 -3.8330 -3.8330 -3.7927 -3.7927 -3.5493 -3.5493 -3.0541 -3.0541 -2.8477 -2.8477 3.6150 3.6150 4.3517 4.3517 4.4823 4.4823 5.0223 5.0223 5.1334 5.1334 5.4774 5.4774 5.7421 5.7421 5.8615 5.8615 6.2062 6.2062 6.3398 6.3398 6.8298 6.8298 7.1718 7.1718 9.7601 9.7601 9.9715 9.9715 10.2834 10.2834 10.8526 10.8526 11.2959 11.2959 12.0066 12.0066 k = 0.3640 0.5310 0.3433 ( 6994 PWs) bands (ev): -53.9728 -53.9728 -28.3313 -28.3313 -20.7370 -20.7370 -20.6075 -20.6075 -19.1790 -19.1790 -19.1785 -19.1785 -6.0960 -6.0960 -5.9066 -5.9066 -5.1362 -5.1362 -4.4770 -4.4770 -4.0857 -4.0857 -3.8364 -3.8364 -3.7935 -3.7935 -3.5430 -3.5430 -3.0345 -3.0345 -2.8286 -2.8286 3.5433 3.5433 4.3113 4.3113 4.4764 4.4764 5.0108 5.0108 5.1199 5.1199 5.4261 5.4261 5.7137 5.7137 5.8372 5.8372 6.1536 6.1536 6.3634 6.3634 6.8125 6.8125 7.1857 7.1857 9.8672 9.8672 9.9967 9.9967 10.3507 10.3507 10.9381 10.9381 11.3201 11.3201 12.0312 12.0312 k = 0.3564 0.5485 0.3624 ( 6998 PWs) bands (ev): -53.9728 -53.9728 -28.3314 -28.3314 -20.7378 -20.7378 -20.6077 -20.6077 -19.1788 -19.1788 -19.1781 -19.1781 -6.0931 -6.0931 -5.9106 -5.9106 -5.1244 -5.1244 -4.4911 -4.4911 -4.0863 -4.0863 -3.8404 -3.8404 -3.7938 -3.7938 -3.5355 -3.5355 -3.0154 -3.0154 -2.8102 -2.8102 3.4710 3.4710 4.2680 4.2680 4.4763 4.4763 4.9988 4.9988 5.1071 5.1071 5.3769 5.3769 5.6877 5.6877 5.8134 5.8134 6.1045 6.1045 6.3879 6.3879 6.7962 6.7962 7.1948 7.1948 9.9296 9.9296 10.0647 10.0647 10.4241 10.4241 11.0232 11.0232 11.3459 11.3459 12.0541 12.0541 k = 0.3489 0.5660 0.3814 ( 7006 PWs) bands (ev): -53.9728 -53.9728 -28.3315 -28.3315 -20.7385 -20.7385 -20.6079 -20.6079 -19.1787 -19.1787 -19.1776 -19.1776 -6.0902 -6.0902 -5.9148 -5.9148 -5.1125 -5.1125 -4.5050 -4.5050 -4.0869 -4.0869 -3.8447 -3.8447 -3.7936 -3.7936 -3.5270 -3.5270 -2.9971 -2.9971 -2.7926 -2.7926 3.3989 3.3989 4.2243 4.2243 4.4797 4.4797 4.9863 4.9863 5.0944 5.0944 5.3302 5.3302 5.6642 5.6642 5.7904 5.7904 6.0589 6.0589 6.4130 6.4130 6.7812 6.7812 7.1994 7.1994 9.9500 9.9500 10.1722 10.1722 10.5027 10.5027 11.1060 11.1060 11.3741 11.3741 12.0781 12.0781 k = 0.3413 0.5835 0.4005 ( 7000 PWs) bands (ev): -53.9728 -53.9728 -28.3316 -28.3316 -20.7392 -20.7392 -20.6080 -20.6080 -19.1786 -19.1786 -19.1772 -19.1772 -6.0874 -6.0874 -5.9191 -5.9191 -5.1006 -5.1006 -4.5186 -4.5186 -4.0876 -4.0876 -3.8493 -3.8493 -3.7931 -3.7931 -3.5176 -3.5176 -2.9796 -2.9796 -2.7758 -2.7758 3.3279 3.3279 4.1817 4.1817 4.4854 4.4854 4.9734 4.9734 5.0814 5.0814 5.2867 5.2867 5.6430 5.6430 5.7682 5.7682 6.0171 6.0171 6.4385 6.4385 6.7675 6.7675 7.2001 7.2001 9.9577 9.9577 10.2887 10.2887 10.5852 10.5852 11.1842 11.1842 11.4064 11.4064 12.1041 12.1041 k = 0.3337 0.6010 0.4196 ( 7004 PWs) bands (ev): -53.9728 -53.9728 -28.3317 -28.3317 -20.7398 -20.7398 -20.6081 -20.6081 -19.1785 -19.1785 -19.1767 -19.1767 -6.0846 -6.0846 -5.9234 -5.9234 -5.0889 -5.0889 -4.5318 -4.5318 -4.0883 -4.0883 -3.8538 -3.8538 -3.7923 -3.7923 -3.5078 -3.5078 -2.9630 -2.9630 -2.7601 -2.7601 3.2590 3.2590 4.1408 4.1408 4.4928 4.4928 4.9603 4.9603 5.0675 5.0675 5.2470 5.2470 5.6240 5.6240 5.7472 5.7472 5.9789 5.9789 6.4642 6.4642 6.7552 6.7552 7.1974 7.1974 9.9609 9.9609 10.4053 10.4053 10.6704 10.6704 11.2545 11.2545 11.4448 11.4448 12.1329 12.1329 k = 0.3262 0.6185 0.4387 ( 7006 PWs) bands (ev): -53.9728 -53.9728 -28.3318 -28.3318 -20.7405 -20.7405 -20.6082 -20.6082 -19.1784 -19.1784 -19.1763 -19.1763 -6.0817 -6.0817 -5.9278 -5.9278 -5.0776 -5.0776 -4.5445 -4.5445 -4.0892 -4.0892 -3.8583 -3.8583 -3.7913 -3.7913 -3.4977 -3.4977 -2.9472 -2.9472 -2.7454 -2.7454 3.1928 3.1928 4.1021 4.1021 4.5016 4.5016 4.9470 4.9470 5.0521 5.0521 5.2121 5.2121 5.6072 5.6072 5.7274 5.7274 5.9446 5.9446 6.4900 6.4900 6.7444 6.7444 7.1916 7.1916 9.9614 9.9614 10.5190 10.5190 10.7568 10.7568 11.3140 11.3140 11.4907 11.4907 12.1656 12.1656 k = 0.3186 0.6361 0.4577 ( 7006 PWs) bands (ev): -53.9728 -53.9728 -28.3319 -28.3319 -20.7411 -20.7411 -20.6083 -20.6083 -19.1784 -19.1784 -19.1758 -19.1758 -6.0788 -6.0788 -5.9322 -5.9322 -5.0668 -5.0668 -4.5566 -4.5566 -4.0902 -4.0902 -3.8625 -3.8625 -3.7901 -3.7901 -3.4876 -3.4876 -2.9323 -2.9323 -2.7318 -2.7318 3.1303 3.1303 4.0659 4.0659 4.5114 4.5114 4.9337 4.9337 5.0345 5.0345 5.1827 5.1827 5.5923 5.5923 5.7089 5.7089 5.9140 5.9140 6.5155 6.5155 6.7355 6.7355 7.1833 7.1833 9.9597 9.9597 10.6279 10.6279 10.8428 10.8428 11.3625 11.3625 11.5430 11.5430 12.2028 12.2028 k = 0.3111 0.6536 0.4768 ( 6998 PWs) bands (ev): -53.9728 -53.9728 -28.3319 -28.3319 -20.7416 -20.7416 -20.6084 -20.6084 -19.1784 -19.1784 -19.1754 -19.1754 -6.0757 -6.0757 -5.9367 -5.9367 -5.0566 -5.0566 -4.5680 -4.5680 -4.0914 -4.0914 -3.8664 -3.8664 -3.7886 -3.7886 -3.4780 -3.4780 -2.9183 -2.9183 -2.7195 -2.7195 3.0719 3.0719 4.0326 4.0326 4.5220 4.5220 4.9205 4.9205 5.0146 5.0146 5.1593 5.1593 5.5792 5.5792 5.6919 5.6919 5.8872 5.8872 6.5406 6.5406 6.7285 6.7285 7.1729 7.1729 9.9560 9.9560 10.7306 10.7306 10.9263 10.9263 11.4027 11.4027 11.5974 11.5974 12.2448 12.2448 k = 0.3035 0.6711 0.4959 ( 7002 PWs) bands (ev): -53.9728 -53.9728 -28.3320 -28.3320 -20.7421 -20.7421 -20.6085 -20.6085 -19.1784 -19.1784 -19.1749 -19.1749 -6.0725 -6.0725 -5.9411 -5.9411 -5.0474 -5.0474 -4.5787 -4.5787 -4.0927 -4.0927 -3.8699 -3.8699 -3.7870 -3.7870 -3.4690 -3.4690 -2.9052 -2.9052 -2.7084 -2.7084 3.0185 3.0185 4.0022 4.0022 4.5332 4.5332 4.9075 4.9075 4.9932 4.9932 5.1414 5.1414 5.5677 5.5677 5.6765 5.6765 5.8642 5.8642 6.5646 6.5646 6.7240 6.7240 7.1608 7.1608 9.9504 9.9504 10.8253 10.8253 11.0056 11.0056 11.4379 11.4379 11.6493 11.6493 12.2889 12.2889 k = 0.2960 0.6886 0.5150 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3321 -28.3321 -20.7425 -20.7425 -20.6086 -20.6086 -19.1784 -19.1784 -19.1745 -19.1745 -6.0691 -6.0691 -5.9455 -5.9455 -5.0392 -5.0392 -4.5883 -4.5883 -4.0942 -4.0942 -3.8730 -3.8730 -3.7853 -3.7853 -3.4609 -3.4609 -2.8929 -2.8929 -2.6987 -2.6987 2.9704 2.9704 3.9749 3.9749 4.5444 4.5444 4.8950 4.8950 4.9715 4.9715 5.1282 5.1282 5.5576 5.5576 5.6628 5.6628 5.8450 5.8450 6.5870 6.5870 6.7225 6.7225 7.1474 7.1474 9.9428 9.9428 10.9102 10.9102 11.0782 11.0782 11.4705 11.4705 11.6959 11.6959 12.3184 12.3184 k = 0.2884 0.7061 0.5340 ( 7006 PWs) bands (ev): -53.9727 -53.9727 -28.3321 -28.3321 -20.7429 -20.7429 -20.6086 -20.6086 -19.1785 -19.1785 -19.1741 -19.1741 -6.0655 -6.0655 -5.9499 -5.9499 -5.0323 -5.0323 -4.5969 -4.5969 -4.0958 -4.0958 -3.8756 -3.8756 -3.7835 -3.7835 -3.4540 -3.4540 -2.8816 -2.8816 -2.6904 -2.6904 2.9283 2.9283 3.9508 3.9508 4.5553 4.5553 4.8830 4.8830 4.9509 4.9509 5.1188 5.1188 5.5489 5.5489 5.6508 5.6508 5.8296 5.8296 6.6069 6.6069 6.7247 6.7247 7.1331 7.1331 9.9332 9.9332 10.9832 10.9832 11.1422 11.1422 11.5019 11.5019 11.7357 11.7357 12.3178 12.3178 k = 0.2808 0.7236 0.5531 ( 7006 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7432 -20.7432 -20.6087 -20.6087 -19.1786 -19.1786 -19.1737 -19.1737 -6.0617 -6.0617 -5.9541 -5.9541 -5.0268 -5.0268 -4.6042 -4.6042 -4.0976 -4.0976 -3.8778 -3.8778 -3.7817 -3.7817 -3.4485 -3.4485 -2.8711 -2.8711 -2.6834 -2.6834 2.8925 2.8925 3.9300 3.9300 4.5653 4.5653 4.8720 4.8720 4.9329 4.9329 5.1123 5.1123 5.5414 5.5414 5.6406 5.6406 5.8179 5.8179 6.6233 6.6233 6.7314 6.7314 7.1182 7.1182 9.9217 9.9217 11.0422 11.0422 11.1956 11.1956 11.5326 11.5326 11.7689 11.7689 12.3100 12.3100 k = 0.2733 0.7411 0.5722 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7435 -20.7435 -20.6087 -20.6087 -19.1788 -19.1788 -19.1734 -19.1734 -6.0575 -6.0575 -5.9583 -5.9583 -5.0229 -5.0229 -4.6101 -4.6101 -4.0995 -4.0995 -3.8796 -3.8796 -3.7798 -3.7798 -3.4444 -3.4444 -2.8614 -2.8614 -2.6780 -2.6780 2.8633 2.8633 3.9126 3.9126 4.5735 4.5735 4.8624 4.8624 4.9182 4.9182 5.1081 5.1081 5.5351 5.5351 5.6324 5.6324 5.8099 5.8099 6.6360 6.6360 6.7428 6.7428 7.1030 7.1030 9.9082 9.9082 11.0847 11.0847 11.2371 11.2371 11.5624 11.5624 11.7961 11.7961 12.3033 12.3033 k = 0.2733 0.7411 0.5722 ( 7002 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7435 -20.7435 -20.6087 -20.6087 -19.1788 -19.1788 -19.1734 -19.1734 -6.0575 -6.0575 -5.9583 -5.9583 -5.0229 -5.0229 -4.6101 -4.6101 -4.0995 -4.0995 -3.8796 -3.8796 -3.7798 -3.7798 -3.4444 -3.4444 -2.8614 -2.8614 -2.6780 -2.6780 2.8633 2.8633 3.9126 3.9126 4.5735 4.5735 4.8624 4.8624 4.9182 4.9182 5.1081 5.1081 5.5351 5.5351 5.6324 5.6324 5.8099 5.8099 6.6360 6.6360 6.7428 6.7428 7.1030 7.1030 9.9082 9.9082 11.0847 11.0847 11.2371 11.2371 11.5624 11.5624 11.7961 11.7961 12.3033 12.3033 k = 0.2484 0.7362 0.5775 ( 7005 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7435 -20.7435 -20.6088 -20.6088 -19.1789 -19.1789 -19.1733 -19.1733 -6.0562 -6.0562 -5.9596 -5.9596 -5.0222 -5.0222 -4.6115 -4.6115 -4.0994 -4.0994 -3.8842 -3.8842 -3.7751 -3.7751 -3.4441 -3.4441 -2.8592 -2.8592 -2.6763 -2.6763 2.8563 2.8563 3.9082 3.9082 4.5753 4.5753 4.8598 4.8598 4.9166 4.9166 5.1069 5.1069 5.5315 5.5315 5.6305 5.6305 5.8086 5.8086 6.6397 6.6397 6.7476 6.7476 7.0983 7.0983 9.9039 9.9039 11.0922 11.0922 11.2455 11.2455 11.5748 11.5748 11.8046 11.8046 12.2987 12.2987 k = 0.2236 0.7313 0.5829 ( 7014 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7436 -20.7436 -20.6088 -20.6088 -19.1789 -19.1789 -19.1732 -19.1732 -6.0545 -6.0545 -5.9611 -5.9611 -5.0218 -5.0218 -4.6126 -4.6126 -4.0983 -4.0983 -3.8953 -3.8953 -3.7640 -3.7640 -3.4450 -3.4450 -2.8578 -2.8578 -2.6741 -2.6741 2.8496 2.8496 3.9038 3.9038 4.5768 4.5768 4.8567 4.8567 4.9188 4.9188 5.1051 5.1051 5.5240 5.5240 5.6289 5.6289 5.8080 5.8080 6.6440 6.6440 6.7547 6.7547 7.0928 7.0928 9.8992 9.8992 11.0959 11.0959 11.2518 11.2518 11.5942 11.5942 11.8169 11.8169 12.2885 12.2885 k = 0.1987 0.7264 0.5882 ( 7017 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7437 -20.7437 -20.6088 -20.6088 -19.1790 -19.1790 -19.1730 -19.1730 -6.0525 -6.0525 -5.9629 -5.9629 -5.0216 -5.0216 -4.6135 -4.6135 -4.0961 -4.0961 -3.9098 -3.9098 -3.7495 -3.7495 -3.4470 -3.4470 -2.8570 -2.8570 -2.6713 -2.6713 2.8434 2.8434 3.8996 3.8996 4.5779 4.5779 4.8533 4.8533 4.9245 4.9245 5.1026 5.1026 5.5131 5.5131 5.6276 5.6276 5.8082 5.8082 6.6484 6.6484 6.7639 6.7639 7.0866 7.0866 9.8944 9.8944 11.0963 11.0963 11.2572 11.2572 11.6174 11.6174 11.8341 11.8341 12.2737 12.2737 k = 0.1739 0.7215 0.5935 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7437 -20.7437 -20.6088 -20.6088 -19.1791 -19.1791 -19.1729 -19.1729 -6.0504 -6.0504 -5.9648 -5.9648 -5.0215 -5.0215 -4.6143 -4.6143 -4.0927 -4.0927 -3.9260 -3.9260 -3.7335 -3.7335 -3.4500 -3.4500 -2.8570 -2.8570 -2.6682 -2.6682 2.8377 2.8377 3.8956 3.8956 4.5788 4.5788 4.8499 4.8499 4.9331 4.9331 5.0992 5.0992 5.4996 5.4996 5.6266 5.6266 5.8090 5.8090 6.6525 6.6525 6.7749 6.7749 7.0799 7.0799 9.8897 9.8897 11.0940 11.0940 11.2625 11.2625 11.6412 11.6412 11.8574 11.8574 12.2560 12.2560 k = 0.1491 0.7166 0.5989 ( 7018 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7437 -20.7437 -20.6088 -20.6088 -19.1792 -19.1792 -19.1728 -19.1728 -6.0481 -6.0481 -5.9668 -5.9668 -5.0216 -5.0216 -4.6148 -4.6148 -4.0881 -4.0881 -3.9426 -3.9426 -3.7174 -3.7174 -3.4538 -3.4538 -2.8574 -2.8574 -2.6649 -2.6649 2.8326 2.8326 3.8919 3.8919 4.5794 4.5794 4.8469 4.8469 4.9441 4.9441 5.0950 5.0950 5.4844 5.4844 5.6259 5.6259 5.8102 5.8102 6.6559 6.6559 6.7872 6.7872 7.0729 7.0729 9.8854 9.8854 11.0901 11.0901 11.2678 11.2678 11.6630 11.6630 11.8877 11.8877 12.2371 12.2371 k = 0.1242 0.7117 0.6042 ( 7015 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7438 -20.7438 -20.6088 -20.6088 -19.1793 -19.1793 -19.1727 -19.1727 -6.0459 -6.0459 -5.9688 -5.9688 -5.0218 -5.0218 -4.6152 -4.6152 -4.0825 -4.0825 -3.9591 -3.9591 -3.7020 -3.7020 -3.4582 -3.4582 -2.8581 -2.8581 -2.6617 -2.6617 2.8282 2.8282 3.8886 3.8886 4.5799 4.5799 4.8443 4.8443 4.9569 4.9569 5.0896 5.0896 5.4687 5.4687 5.6253 5.6253 5.8118 5.8118 6.6586 6.6586 6.8000 6.8000 7.0660 7.0660 9.8816 9.8816 11.0854 11.0854 11.2729 11.2729 11.6810 11.6810 11.9246 11.9246 12.2184 12.2184 k = 0.0994 0.7068 0.6096 ( 7011 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7438 -20.7438 -20.6088 -20.6088 -19.1794 -19.1794 -19.1726 -19.1726 -6.0438 -6.0438 -5.9707 -5.9707 -5.0220 -5.0220 -4.6155 -4.6155 -4.0757 -4.0757 -3.9751 -3.9751 -3.6880 -3.6880 -3.4629 -3.4629 -2.8590 -2.8590 -2.6587 -2.6587 2.8245 2.8245 3.8859 3.8859 4.5802 4.5802 4.8423 4.8423 4.9709 4.9709 5.0830 5.0830 5.4537 5.4537 5.6250 5.6250 5.8134 5.8134 6.6606 6.6606 6.8123 6.8123 7.0594 7.0594 9.8784 9.8784 11.0807 11.0807 11.2777 11.2777 11.6949 11.6949 11.9662 11.9662 12.2014 12.2014 k = 0.0745 0.7019 0.6149 ( 7014 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7438 -20.7438 -20.6088 -20.6088 -19.1794 -19.1794 -19.1725 -19.1725 -6.0419 -6.0419 -5.9724 -5.9724 -5.0222 -5.0222 -4.6157 -4.6157 -4.0680 -4.0680 -3.9902 -3.9902 -3.6761 -3.6761 -3.4673 -3.4673 -2.8599 -2.8599 -2.6563 -2.6563 2.8216 2.8216 3.8836 3.8836 4.5804 4.5804 4.8406 4.8406 4.9855 4.9855 5.0752 5.0752 5.4404 5.4404 5.6248 5.6248 5.8149 5.8149 6.6621 6.6621 6.8231 6.8231 7.0536 7.0536 9.8759 9.8759 11.0765 11.0765 11.2817 11.2817 11.7051 11.7051 12.0090 12.0090 12.1872 12.1872 k = 0.0497 0.6970 0.6202 ( 7015 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7439 -20.7439 -20.6088 -20.6088 -19.1795 -19.1795 -19.1724 -19.1724 -6.0404 -6.0404 -5.9737 -5.9737 -5.0223 -5.0223 -4.6158 -4.6158 -4.0596 -4.0596 -4.0040 -4.0040 -3.6669 -3.6669 -3.4711 -3.4711 -2.8606 -2.8606 -2.6544 -2.6544 2.8195 2.8195 3.8820 3.8820 4.5805 4.5805 4.8395 4.8395 4.9997 4.9997 5.0664 5.0664 5.4300 5.4300 5.6247 5.6247 5.8162 5.8162 6.6630 6.6630 6.8317 6.8317 7.0490 7.0490 9.8740 9.8740 11.0733 11.0733 11.2848 11.2848 11.7119 11.7119 12.0483 12.0483 12.1769 12.1769 k = 0.0248 0.6921 0.6256 ( 7011 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7439 -20.7439 -20.6088 -20.6088 -19.1795 -19.1795 -19.1724 -19.1724 -6.0395 -6.0395 -5.9746 -5.9746 -5.0224 -5.0224 -4.6158 -4.6158 -4.0513 -4.0513 -4.0155 -4.0155 -3.6610 -3.6610 -3.4736 -3.4736 -2.8611 -2.8611 -2.6532 -2.6532 2.8182 2.8182 3.8810 3.8810 4.5806 4.5806 4.8388 4.8388 5.0117 5.0117 5.0580 5.0580 5.4234 5.4234 5.6246 5.6246 5.8170 5.8170 6.6635 6.6635 6.8372 6.8372 7.0460 7.0460 9.8729 9.8729 11.0712 11.0712 11.2867 11.2867 11.7159 11.7159 12.0770 12.0770 12.1711 12.1711 k = 0.0000 0.6872 0.6309 ( 6998 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7438 -20.7438 -20.6087 -20.6087 -19.1795 -19.1795 -19.1724 -19.1724 -6.0392 -6.0392 -5.9749 -5.9749 -5.0225 -5.0225 -4.6158 -4.6158 -4.0470 -4.0470 -4.0209 -4.0209 -3.6590 -3.6590 -3.4745 -3.4745 -2.8612 -2.8612 -2.6528 -2.6528 2.8177 2.8177 3.8807 3.8807 4.5806 4.5806 4.8386 4.8386 5.0171 5.0171 5.0538 5.0538 5.4211 5.4211 5.6246 5.6246 5.8172 5.8172 6.6637 6.6637 6.8391 6.8391 7.0449 7.0449 9.8725 9.8725 11.0705 11.0705 11.2873 11.2873 11.7172 11.7172 12.0878 12.0878 12.1694 12.1694 k = 0.0000 0.6872 0.6309 ( 6998 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7438 -20.7438 -20.6087 -20.6087 -19.1795 -19.1795 -19.1724 -19.1724 -6.0392 -6.0392 -5.9749 -5.9749 -5.0225 -5.0225 -4.6158 -4.6158 -4.0470 -4.0470 -4.0209 -4.0209 -3.6590 -3.6590 -3.4745 -3.4745 -2.8612 -2.8612 -2.6528 -2.6528 2.8177 2.8177 3.8807 3.8807 4.5806 4.5806 4.8386 4.8386 5.0171 5.0171 5.0538 5.0538 5.4211 5.4211 5.6246 5.6246 5.8172 5.8172 6.6637 6.6637 6.8391 6.8391 7.0449 7.0449 9.8725 9.8725 11.0705 11.0705 11.2873 11.2873 11.7172 11.7172 12.0878 12.0878 12.1694 12.1694 k = 0.0076 0.6696 0.6500 ( 7004 PWs) bands (ev): -53.9727 -53.9727 -28.3322 -28.3322 -20.7439 -20.7439 -20.6088 -20.6088 -19.1795 -19.1795 -19.1724 -19.1724 -6.0390 -6.0390 -5.9747 -5.9747 -5.0219 -5.0219 -4.6153 -4.6153 -4.0490 -4.0490 -4.0188 -4.0188 -3.6593 -3.6593 -3.4741 -3.4741 -2.8620 -2.8620 -2.6536 -2.6536 2.8171 2.8171 3.8820 3.8820 4.5684 4.5684 4.8395 4.8395 5.0151 5.0151 5.0562 5.0562 5.4261 5.4261 5.6269 5.6269 5.8198 5.8198 6.6605 6.6605 6.8387 6.8387 7.0452 7.0452 9.8746 9.8746 11.0711 11.0711 11.2875 11.2875 11.7260 11.7260 12.0896 12.0896 12.1678 12.1678 k = 0.0152 0.6521 0.6692 ( 7010 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7440 -20.7440 -20.6088 -20.6088 -19.1795 -19.1795 -19.1724 -19.1724 -6.0383 -6.0383 -5.9742 -5.9742 -5.0203 -5.0203 -4.6137 -4.6137 -4.0538 -4.0538 -4.0137 -4.0137 -3.6603 -3.6603 -3.4728 -3.4728 -2.8643 -2.8643 -2.6560 -2.6560 2.8153 2.8153 3.8857 3.8857 4.5352 4.5352 4.8389 4.8389 5.0101 5.0101 5.0619 5.0619 5.4410 5.4410 5.6342 5.6342 5.8274 5.8274 6.6508 6.6508 6.8379 6.8379 7.0458 7.0458 9.8807 9.8807 11.0729 11.0729 11.2880 11.2880 11.7525 11.7525 12.0948 12.0948 12.1632 12.1632 k = 0.0227 0.6345 0.6883 ( 7010 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7441 -20.7441 -20.6089 -20.6089 -19.1794 -19.1794 -19.1723 -19.1723 -6.0373 -6.0373 -5.9734 -5.9734 -5.0176 -5.0176 -4.6111 -4.6111 -4.0597 -4.0597 -4.0072 -4.0072 -3.6619 -3.6619 -3.4707 -3.4707 -2.8680 -2.8680 -2.6599 -2.6599 2.8121 2.8121 3.8920 3.8920 4.4880 4.4880 4.8317 4.8317 5.0026 5.0026 5.0686 5.0686 5.4660 5.4660 5.6467 5.6467 5.8398 5.8398 6.6347 6.6347 6.8375 6.8375 7.0465 7.0465 9.8909 9.8909 11.0756 11.0756 11.2882 11.2882 11.7968 11.7968 12.1032 12.1032 12.1567 12.1567 k = 0.0303 0.6170 0.7074 ( 7004 PWs) bands (ev): -53.9727 -53.9727 -28.3323 -28.3323 -20.7443 -20.7443 -20.6089 -20.6089 -19.1793 -19.1793 -19.1722 -19.1722 -6.0359 -6.0359 -5.9723 -5.9723 -5.0139 -5.0139 -4.6074 -4.6074 -4.0662 -4.0662 -4.0000 -4.0000 -3.6641 -3.6641 -3.4679 -3.4679 -2.8733 -2.8733 -2.6655 -2.6655 2.8077 2.8077 3.9006 3.9006 4.4324 4.4324 4.8152 4.8152 4.9919 4.9919 5.0748 5.0748 5.4991 5.4991 5.6659 5.6659 5.8564 5.8564 6.6128 6.6128 6.8383 6.8383 7.0470 7.0470 9.9052 9.9052 11.0788 11.0788 11.2879 11.2879 11.8581 11.8581 12.1141 12.1141 12.1493 12.1493 k = 0.0379 0.5994 0.7265 ( 7008 PWs) bands (ev): -53.9727 -53.9727 -28.3324 -28.3324 -20.7446 -20.7446 -20.6091 -20.6091 -19.1792 -19.1792 -19.1721 -19.1721 -6.0342 -6.0342 -5.9709 -5.9709 -5.0091 -5.0091 -4.6026 -4.6026 -4.0728 -4.0728 -3.9924 -3.9924 -3.6667 -3.6667 -3.4644 -3.4644 -2.8799 -2.8799 -2.6725 -2.6725 2.8019 2.8019 3.9116 3.9116 4.3721 4.3721 4.7892 4.7892 4.9770 4.9770 5.0801 5.0801 5.5362 5.5362 5.6943 5.6943 5.8766 5.8766 6.5862 6.5862 6.8407 6.8407 7.0472 7.0472 9.9235 9.9235 11.0824 11.0824 11.2868 11.2868 11.9347 11.9347 12.1267 12.1267 12.1424 12.1424 k = 0.0455 0.5819 0.7456 ( 7010 PWs) bands (ev): -53.9727 -53.9727 -28.3324 -28.3324 -20.7449 -20.7449 -20.6092 -20.6092 -19.1791 -19.1791 -19.1720 -19.1720 -6.0322 -6.0322 -5.9692 -5.9692 -5.0033 -5.0033 -4.5968 -4.5968 -4.0794 -4.0794 -3.9845 -3.9845 -3.6698 -3.6698 -3.4603 -3.4603 -2.8880 -2.8880 -2.6810 -2.6810 2.7946 2.7946 3.9248 3.9248 4.3095 4.3095 4.7544 4.7544 4.9576 4.9576 5.0846 5.0846 5.5717 5.5717 5.7351 5.7351 5.9000 5.9000 6.5563 6.5563 6.8448 6.8448 7.0468 7.0468 9.9460 9.9460 11.0863 11.0863 11.2850 11.2850 12.0216 12.0216 12.1310 12.1310 12.1482 12.1482 k = 0.0530 0.5643 0.7648 ( 7018 PWs) bands (ev): -53.9727 -53.9727 -28.3325 -28.3325 -20.7452 -20.7452 -20.6094 -20.6094 -19.1789 -19.1789 -19.1718 -19.1718 -6.0299 -6.0299 -5.9673 -5.9673 -4.9965 -4.9965 -4.5901 -4.5901 -4.0859 -4.0859 -3.9765 -3.9765 -3.6731 -3.6731 -3.4557 -3.4557 -2.8974 -2.8974 -2.6909 -2.6909 2.7858 2.7858 3.9400 3.9400 4.2460 4.2460 4.7118 4.7118 4.9344 4.9344 5.0885 5.0885 5.6021 5.6021 5.7891 5.7891 5.9260 5.9260 6.5245 6.5245 6.8506 6.8506 7.0460 7.0460 9.9726 9.9726 11.0904 11.0904 11.2830 11.2830 12.0983 12.0983 12.1277 12.1277 12.1826 12.1826 k = 0.0606 0.5467 0.7839 ( 7024 PWs) bands (ev): -53.9727 -53.9727 -28.3326 -28.3326 -20.7456 -20.7456 -20.6096 -20.6096 -19.1788 -19.1788 -19.1716 -19.1716 -6.0275 -6.0275 -5.9651 -5.9651 -4.9888 -4.9888 -4.5824 -4.5824 -4.0923 -4.0923 -3.9683 -3.9683 -3.6765 -3.6765 -3.4506 -3.4506 -2.9080 -2.9080 -2.7022 -2.7022 2.7752 2.7752 3.9572 3.9572 4.1827 4.1827 4.6619 4.6619 4.9081 4.9081 5.0921 5.0921 5.6278 5.6278 5.8533 5.8533 5.9549 5.9549 6.4924 6.4924 6.8578 6.8578 7.0448 7.0448 10.0033 10.0033 11.0948 11.0948 11.2811 11.2811 12.1118 12.1118 12.1435 12.1435 12.2661 12.2661 k = 0.0682 0.5292 0.8030 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3327 -28.3327 -20.7461 -20.7461 -20.6097 -20.6097 -19.1786 -19.1786 -19.1714 -19.1714 -6.0249 -6.0249 -5.9626 -5.9626 -4.9801 -4.9801 -4.5737 -4.5737 -4.0984 -4.0984 -3.9601 -3.9601 -3.6800 -3.6800 -3.4451 -3.4451 -2.9198 -2.9198 -2.7148 -2.7148 2.7629 2.7629 3.9761 3.9761 4.1202 4.1202 4.6056 4.6056 4.8798 4.8798 5.0954 5.0954 5.6504 5.6504 5.9213 5.9213 5.9889 5.9889 6.4610 6.4610 6.8662 6.8662 7.0432 7.0432 10.0381 10.0381 11.0997 11.0997 11.2798 11.2798 12.1057 12.1057 12.1566 12.1566 12.3689 12.3689 k = 0.0758 0.5116 0.8221 ( 7028 PWs) bands (ev): -53.9727 -53.9727 -28.3328 -28.3328 -20.7466 -20.7466 -20.6099 -20.6099 -19.1784 -19.1784 -19.1712 -19.1712 -6.0222 -6.0222 -5.9600 -5.9600 -4.9706 -4.9706 -4.5641 -4.5641 -4.1042 -4.1042 -3.9519 -3.9519 -3.6833 -3.6833 -3.4393 -3.4393 -2.9327 -2.9327 -2.7286 -2.7286 2.7485 2.7485 3.9961 3.9961 4.0594 4.0594 4.5438 4.5438 4.8502 4.8502 5.0985 5.0985 5.6716 5.6716 5.9796 5.9796 6.0382 6.0382 6.4313 6.4313 6.8756 6.8756 7.0415 7.0415 10.0769 10.0769 11.1050 11.1050 11.2792 11.2792 12.0987 12.0987 12.1640 12.1640 12.4639 12.4639 k = 0.0833 0.4941 0.8412 ( 7030 PWs) bands (ev): -53.9727 -53.9727 -28.3329 -28.3329 -20.7471 -20.7471 -20.6101 -20.6101 -19.1782 -19.1782 -19.1710 -19.1710 -6.0194 -6.0194 -5.9572 -5.9572 -4.9602 -4.9602 -4.5537 -4.5537 -4.1096 -4.1096 -3.9440 -3.9440 -3.6864 -3.6864 -3.4332 -3.4332 -2.9466 -2.9466 -2.7435 -2.7435 2.7320 2.7320 3.9956 3.9956 4.0220 4.0220 4.4775 4.4775 4.8201 4.8201 5.1015 5.1015 5.6923 5.6923 6.0192 6.0192 6.1095 6.1095 6.4038 6.4038 6.8858 6.8858 7.0397 7.0397 10.1198 10.1198 11.1108 11.1108 11.2799 11.2799 12.0915 12.0915 12.1675 12.1675 12.5384 12.5384 k = 0.0909 0.4765 0.8604 ( 7030 PWs) bands (ev): -53.9727 -53.9727 -28.3330 -28.3330 -20.7476 -20.7476 -20.6104 -20.6104 -19.1780 -19.1780 -19.1708 -19.1708 -6.0167 -6.0167 -5.9543 -5.9543 -4.9491 -4.9491 -4.5425 -4.5425 -4.1146 -4.1146 -3.9365 -3.9365 -3.6890 -3.6890 -3.4268 -3.4268 -2.9613 -2.9613 -2.7595 -2.7595 2.7131 2.7131 3.9399 3.9399 4.0430 4.0430 4.4080 4.4080 4.7898 4.7898 5.1044 5.1044 5.7131 5.7131 6.0508 6.0508 6.1904 6.1904 6.3790 6.3790 6.8965 6.8965 7.0380 7.0380 10.1667 10.1667 11.1173 11.1173 11.2820 11.2820 12.0843 12.0843 12.1680 12.1680 12.5908 12.5908 k = 0.0985 0.4590 0.8795 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3331 -28.3331 -20.7482 -20.7482 -20.6106 -20.6106 -19.1778 -19.1778 -19.1705 -19.1705 -6.0139 -6.0139 -5.9514 -5.9514 -4.9373 -4.9373 -4.5306 -4.5306 -4.1192 -4.1192 -3.9295 -3.9295 -3.6910 -3.6910 -3.4202 -3.4202 -2.9769 -2.9769 -2.7763 -2.7763 2.6916 2.6916 3.8843 3.8843 4.0667 4.0667 4.3364 4.3364 4.7598 4.7598 5.1072 5.1072 5.7340 5.7340 6.0795 6.0795 6.2741 6.2741 6.3570 6.3570 6.9078 6.9078 7.0366 7.0366 10.2173 10.2173 11.1244 11.1244 11.2857 11.2857 12.0772 12.0772 12.1659 12.1659 12.6272 12.6272 k = 0.1061 0.4414 0.8986 ( 7034 PWs) bands (ev): -53.9727 -53.9727 -28.3332 -28.3332 -20.7488 -20.7488 -20.6108 -20.6108 -19.1775 -19.1775 -19.1703 -19.1703 -6.0111 -6.0111 -5.9484 -5.9484 -4.9250 -4.9250 -4.5180 -4.5180 -4.1232 -4.1232 -3.9232 -3.9232 -3.6922 -3.6922 -3.4134 -3.4134 -2.9930 -2.9930 -2.7940 -2.7940 2.6675 2.6675 3.8308 3.8308 4.0911 4.0911 4.2643 4.2643 4.7303 4.7303 5.1099 5.1099 5.7554 5.7554 6.1065 6.1065 6.3373 6.3373 6.3590 6.3590 6.9195 6.9195 7.0356 7.0356 10.2716 10.2716 11.1320 11.1320 11.2911 11.2911 12.0702 12.0702 12.1621 12.1621 12.6524 12.6524 k = 0.1136 0.4239 0.9177 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3333 -28.3333 -20.7494 -20.7494 -20.6110 -20.6110 -19.1773 -19.1773 -19.1700 -19.1700 -6.0084 -6.0084 -5.9456 -5.9456 -4.9121 -4.9121 -4.5048 -4.5048 -4.1266 -4.1266 -3.9177 -3.9177 -3.6926 -3.6926 -3.4062 -3.4062 -3.0096 -3.0096 -2.8124 -2.8124 2.6404 2.6404 3.7796 3.7796 4.1150 4.1150 4.1937 4.1937 4.7015 4.7015 5.1126 5.1126 5.7772 5.7772 6.1319 6.1319 6.3208 6.3208 6.4427 6.4427 6.9317 6.9317 7.0351 7.0351 10.3293 10.3293 11.1402 11.1402 11.2984 11.2984 12.0634 12.0634 12.1573 12.1573 12.6697 12.6697 k = 0.1212 0.4063 0.9368 ( 7036 PWs) bands (ev): -53.9727 -53.9727 -28.3334 -28.3334 -20.7500 -20.7500 -20.6113 -20.6113 -19.1770 -19.1770 -19.1697 -19.1697 -6.0058 -6.0058 -5.9428 -5.9428 -4.8989 -4.8989 -4.4912 -4.4912 -4.1295 -4.1295 -3.9133 -3.9133 -3.6920 -3.6920 -3.3989 -3.3989 -3.0266 -3.0266 -2.8314 -2.8314 2.6105 2.6105 3.7309 3.7309 4.1134 4.1134 4.1504 4.1504 4.6736 4.6736 5.1151 5.1151 5.7994 5.7994 6.1557 6.1557 6.3065 6.3065 6.5254 6.5254 6.9442 6.9442 7.0351 7.0351 10.3902 10.3902 11.1489 11.1489 11.3077 11.3077 12.0567 12.0567 12.1522 12.1522 12.6813 12.6813 k = 0.1288 0.3888 0.9560 ( 7042 PWs) bands (ev): -53.9727 -53.9727 -28.3335 -28.3335 -20.7507 -20.7507 -20.6115 -20.6115 -19.1768 -19.1768 -19.1695 -19.1695 -6.0032 -6.0032 -5.9401 -5.9401 -4.8854 -4.8854 -4.4772 -4.4772 -4.1317 -4.1317 -3.9100 -3.9100 -3.6904 -3.6904 -3.3912 -3.3912 -3.0437 -3.0437 -2.8508 -2.8508 2.5775 2.5775 3.6847 3.6847 4.0509 4.0509 4.1708 4.1708 4.6469 4.6469 5.1176 5.1176 5.8220 5.8220 6.1776 6.1776 6.2944 6.2944 6.6059 6.6059 6.9573 6.9573 7.0357 7.0357 10.4538 10.4538 11.1578 11.1578 11.3191 11.3191 12.0504 12.0504 12.1477 12.1477 12.6889 12.6889 k = 0.1364 0.3712 0.9751 ( 7038 PWs) bands (ev): -53.9727 -53.9727 -28.3336 -28.3336 -20.7513 -20.7513 -20.6117 -20.6117 -19.1766 -19.1766 -19.1692 -19.1692 -6.0007 -6.0007 -5.9376 -5.9376 -4.8717 -4.8717 -4.4630 -4.4630 -4.1333 -4.1333 -3.9079 -3.9079 -3.6879 -3.6879 -3.3833 -3.3833 -3.0609 -3.0609 -2.8705 -2.8705 2.5418 2.5418 3.6412 3.6412 3.9875 3.9875 4.1953 4.1953 4.6214 4.6214 5.1199 5.1199 5.8449 5.8449 6.1975 6.1975 6.2843 6.2843 6.6836 6.6836 6.9711 6.9711 7.0370 7.0370 10.5198 10.5198 11.1668 11.1668 11.3328 11.3328 12.0445 12.0445 12.1441 12.1441 12.6937 12.6937 k = 0.1439 0.3536 0.9942 ( 7040 PWs) bands (ev): -53.9727 -53.9727 -28.3337 -28.3337 -20.7519 -20.7519 -20.6119 -20.6119 -19.1763 -19.1763 -19.1689 -19.1689 -5.9983 -5.9983 -5.9354 -5.9354 -4.8579 -4.8579 -4.4487 -4.4487 -4.1344 -4.1344 -3.9068 -3.9068 -3.6845 -3.6845 -3.3751 -3.3751 -3.0779 -3.0779 -2.8904 -2.8904 2.5035 2.5035 3.6003 3.6003 3.9279 3.9279 4.2198 4.2198 4.5972 4.5972 5.1222 5.1222 5.8681 5.8681 6.2152 6.2152 6.2760 6.2760 6.7573 6.7573 6.9861 6.9861 7.0389 7.0389 10.5875 10.5875 11.1758 11.1758 11.3489 11.3489 12.0391 12.0391 12.1418 12.1418 12.6952 12.6952 k = 0.1515 0.3361 1.0133 ( 7042 PWs) bands (ev): -53.9727 -53.9727 -28.3338 -28.3338 -20.7525 -20.7525 -20.6121 -20.6121 -19.1761 -19.1761 -19.1687 -19.1687 -5.9960 -5.9960 -5.9333 -5.9333 -4.8443 -4.8443 -4.4344 -4.4344 -4.1348 -4.1348 -3.9068 -3.9068 -3.6805 -3.6805 -3.3665 -3.3665 -3.0945 -3.0945 -2.9103 -2.9103 2.4630 2.4630 3.5622 3.5622 3.8729 3.8729 4.2437 4.2437 4.5745 4.5745 5.1244 5.1244 5.8914 5.8914 6.2302 6.2302 6.2694 6.2694 6.8256 6.8256 7.0032 7.0032 7.0416 7.0416 10.6565 10.6565 11.1844 11.1844 11.3676 11.3676 12.0343 12.0343 12.1409 12.1409 12.6891 12.6891 k = 0.1591 0.3185 1.0324 ( 7046 PWs) bands (ev): -53.9727 -53.9727 -28.3339 -28.3339 -20.7531 -20.7531 -20.6123 -20.6123 -19.1758 -19.1758 -19.1684 -19.1684 -5.9938 -5.9938 -5.9316 -5.9316 -4.8308 -4.8308 -4.4203 -4.4203 -4.1346 -4.1346 -3.9077 -3.9077 -3.6760 -3.6760 -3.3578 -3.3578 -3.1106 -3.1106 -2.9300 -2.9300 2.4209 2.4209 3.5268 3.5268 3.8230 3.8230 4.2665 4.2665 4.5534 4.5534 5.1265 5.1265 5.9148 5.9148 6.2418 6.2418 6.2649 6.2649 6.8861 6.8861 7.0235 7.0235 7.0456 7.0456 10.7258 10.7258 11.1927 11.1927 11.3891 11.3891 12.0303 12.0303 12.1413 12.1413 12.6598 12.6598 k = 0.1667 0.3010 1.0515 ( 7046 PWs) bands (ev): -53.9727 -53.9727 -28.3340 -28.3340 -20.7537 -20.7537 -20.6125 -20.6125 -19.1756 -19.1756 -19.1682 -19.1682 -5.9917 -5.9917 -5.9300 -5.9300 -4.8177 -4.8177 -4.4067 -4.4067 -4.1339 -4.1339 -3.9094 -3.9094 -3.6713 -3.6713 -3.3488 -3.3488 -3.1261 -3.1261 -2.9494 -2.9494 2.3778 2.3778 3.4942 3.4942 3.7782 3.7782 4.2881 4.2881 4.5340 4.5340 5.1285 5.1285 5.9381 5.9381 6.2481 6.2481 6.2643 6.2643 6.9353 6.9353 7.0426 7.0426 7.0586 7.0586 10.7947 10.7947 11.2004 11.2004 11.4136 11.4136 12.0268 12.0268 12.1429 12.1429 12.6094 12.6094 k = 0.1742 0.2834 1.0707 ( 7042 PWs) bands (ev): -53.9727 -53.9727 -28.3341 -28.3341 -20.7542 -20.7542 -20.6127 -20.6127 -19.1754 -19.1754 -19.1680 -19.1680 -5.9897 -5.9897 -5.9287 -5.9287 -4.8051 -4.8051 -4.3935 -4.3935 -4.1327 -4.1327 -3.9116 -3.9116 -3.6666 -3.6666 -3.3397 -3.3397 -3.1406 -3.1406 -2.9683 -2.9683 2.3346 2.3346 3.4644 3.4644 3.7386 3.7386 4.3081 4.3081 4.5164 4.5164 5.1304 5.1304 5.9613 5.9613 6.2484 6.2484 6.2682 6.2682 6.9708 6.9708 7.0491 7.0491 7.0934 7.0934 10.8621 10.8621 11.2075 11.2075 11.4413 11.4413 12.0238 12.0238 12.1451 12.1451 12.5547 12.5547 k = 0.1818 0.2659 1.0898 ( 7034 PWs) bands (ev): -53.9727 -53.9727 -28.3341 -28.3341 -20.7547 -20.7547 -20.6128 -20.6128 -19.1752 -19.1752 -19.1677 -19.1677 -5.9878 -5.9878 -5.9277 -5.9277 -4.7931 -4.7931 -4.3811 -4.3811 -4.1310 -4.1310 -3.9143 -3.9143 -3.6620 -3.6620 -3.3306 -3.3306 -3.1541 -3.1541 -2.9864 -2.9864 2.2920 2.2920 3.4374 3.4374 3.7039 3.7039 4.3263 4.3263 4.5008 4.5008 5.1321 5.1321 5.9842 5.9842 6.2463 6.2463 6.2725 6.2725 6.9953 6.9953 7.0535 7.0535 7.1365 7.1365 10.9268 10.9268 11.2140 11.2140 11.4724 11.4724 12.0211 12.0211 12.1476 12.1476 12.5013 12.5013 k = 0.1894 0.2483 1.1089 ( 7034 PWs) bands (ev): -53.9727 -53.9727 -28.3342 -28.3342 -20.7552 -20.7552 -20.6129 -20.6129 -19.1751 -19.1751 -19.1675 -19.1675 -5.9861 -5.9861 -5.9268 -5.9268 -4.7819 -4.7819 -4.3696 -4.3696 -4.1289 -4.1289 -3.9172 -3.9172 -3.6578 -3.6578 -3.3217 -3.3217 -3.1663 -3.1663 -3.0036 -3.0036 2.2511 2.2511 3.4133 3.4133 3.6740 3.6740 4.3424 4.3424 4.4873 4.4873 5.1337 5.1337 6.0066 6.0066 6.2439 6.2439 6.2752 6.2752 7.0132 7.0132 7.0578 7.0578 7.1810 7.1810 10.9876 10.9876 11.2199 11.2199 11.5069 11.5069 12.0184 12.0184 12.1497 12.1497 12.4510 12.4510 k = 0.1970 0.2308 1.1280 ( 7042 PWs) bands (ev): -53.9727 -53.9727 -28.3343 -28.3343 -20.7556 -20.7556 -20.6131 -20.6131 -19.1749 -19.1749 -19.1674 -19.1674 -5.9845 -5.9845 -5.9262 -5.9262 -4.7717 -4.7717 -4.3592 -4.3592 -4.1265 -4.1265 -3.9203 -3.9203 -3.6540 -3.6540 -3.3131 -3.3131 -3.1772 -3.1772 -3.0197 -3.0197 2.2125 2.2125 3.3919 3.3919 3.6485 3.6485 4.3560 4.3560 4.4762 4.4762 5.1351 5.1351 6.0284 6.0284 6.2415 6.2415 6.2761 6.2761 7.0272 7.0272 7.0619 7.0619 7.2232 7.2232 11.0433 11.0433 11.2252 11.2252 11.5447 11.5447 12.0155 12.0155 12.1508 12.1508 12.4049 12.4049 k = 0.2045 0.2132 1.1471 ( 7036 PWs) bands (ev): -53.9727 -53.9727 -28.3343 -28.3343 -20.7560 -20.7560 -20.6132 -20.6132 -19.1747 -19.1747 -19.1672 -19.1672 -5.9831 -5.9831 -5.9257 -5.9257 -4.7624 -4.7624 -4.3499 -4.3499 -4.1239 -4.1239 -3.9234 -3.9234 -3.6508 -3.6508 -3.3051 -3.3051 -3.1866 -3.1866 -3.0345 -3.0345 2.1773 2.1773 3.3735 3.3735 3.6271 3.6271 4.3669 4.3669 4.4677 4.4677 5.1364 5.1364 6.0494 6.0494 6.2392 6.2392 6.2752 6.2752 7.0387 7.0387 7.0659 7.0659 7.2615 7.2615 11.0928 11.0928 11.2300 11.2300 11.5850 11.5850 12.0124 12.0124 12.1499 12.1499 12.3637 12.3637 k = 0.2121 0.1957 1.1663 ( 7034 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7563 -20.7563 -20.6133 -20.6133 -19.1746 -19.1746 -19.1671 -19.1671 -5.9819 -5.9819 -5.9253 -5.9253 -4.7544 -4.7544 -4.3420 -4.3420 -4.1212 -4.1212 -3.9263 -3.9263 -3.6480 -3.6480 -3.2980 -3.2980 -3.1945 -3.1945 -3.0476 -3.0476 2.1460 2.1460 3.3578 3.3578 3.6096 3.6096 4.3749 4.3749 4.4619 4.4619 5.1375 5.1375 6.0692 6.0692 6.2368 6.2368 6.2729 6.2729 7.0482 7.0482 7.0697 7.0697 7.2948 7.2948 11.1351 11.1351 11.2344 11.2344 11.6267 11.6267 12.0097 12.0097 12.1461 12.1461 12.3282 12.3282 k = 0.2197 0.1781 1.1854 ( 7022 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7565 -20.7565 -20.6133 -20.6133 -19.1745 -19.1745 -19.1670 -19.1670 -5.9808 -5.9808 -5.9251 -5.9251 -4.7476 -4.7476 -4.3355 -4.3355 -4.1186 -4.1186 -3.9290 -3.9290 -3.6458 -3.6458 -3.2918 -3.2918 -3.2008 -3.2008 -3.0588 -3.0588 2.1195 2.1195 3.3450 3.3450 3.5956 3.5956 4.3799 4.3799 4.4587 4.4587 5.1384 5.1384 6.0874 6.0874 6.2341 6.2341 6.2698 6.2698 7.0557 7.0557 7.0731 7.0731 7.3227 7.3227 11.1694 11.1694 11.2388 11.2388 11.6677 11.6677 12.0086 12.0086 12.1380 12.1380 12.2991 12.2991 k = 0.2273 0.1606 1.2045 ( 7024 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7567 -20.7567 -20.6134 -20.6134 -19.1744 -19.1744 -19.1669 -19.1669 -5.9800 -5.9800 -5.9250 -5.9250 -4.7422 -4.7422 -4.3303 -4.3303 -4.1163 -4.1163 -3.9312 -3.9312 -3.6441 -3.6441 -3.2869 -3.2869 -3.2055 -3.2055 -3.0679 -3.0679 2.0983 2.0983 3.3351 3.3351 3.5850 3.5850 4.3826 4.3826 4.4575 4.4575 5.1391 5.1391 6.1035 6.1035 6.2309 6.2309 6.2665 6.2665 7.0614 7.0614 7.0761 7.0761 7.3446 7.3446 11.1951 11.1951 11.2435 11.2435 11.7048 11.7048 12.0109 12.0109 12.1243 12.1243 12.2773 12.2773 k = 0.2348 0.1430 1.2236 ( 7028 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7569 -20.7569 -20.6135 -20.6135 -19.1744 -19.1744 -19.1668 -19.1668 -5.9794 -5.9794 -5.9249 -5.9249 -4.7383 -4.7383 -4.3267 -4.3267 -4.1144 -4.1144 -3.9330 -3.9330 -3.6429 -3.6429 -3.2833 -3.2833 -3.2086 -3.2086 -3.0746 -3.0746 2.0828 2.0828 3.3280 3.3280 3.5775 3.5775 4.3838 4.3838 4.4574 4.4574 5.1396 5.1396 6.1165 6.1165 6.2276 6.2276 6.2637 6.2637 7.0654 7.0654 7.0785 7.0785 7.3604 7.3604 11.2116 11.2116 11.2488 11.2488 11.7347 11.7347 12.0186 12.0186 12.1050 12.1050 12.2630 12.2630 k = 0.2424 0.1254 1.2427 ( 7026 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9791 -5.9791 -5.9248 -5.9248 -4.7359 -4.7359 -4.3245 -4.3245 -4.1133 -4.1133 -3.9340 -3.9340 -3.6422 -3.6422 -3.2811 -3.2811 -3.2105 -3.2105 -3.0788 -3.0788 2.0734 2.0734 3.3237 3.3237 3.5731 3.5731 4.3841 4.3841 4.4577 4.4577 5.1399 5.1399 6.1253 6.1253 6.2248 6.2248 6.2618 6.2618 7.0676 7.0676 7.0801 7.0801 7.3700 7.3700 11.2199 11.2199 11.2536 11.2536 11.7540 11.7540 12.0327 12.0327 12.0822 12.0822 12.2553 12.2553 k = 0.2500 0.1079 1.2619 ( 7024 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9789 -5.9789 -5.9248 -5.9248 -4.7351 -4.7351 -4.3238 -4.3238 -4.1129 -4.1129 -3.9344 -3.9344 -3.6420 -3.6420 -3.2804 -3.2804 -3.2111 -3.2111 -3.0802 -3.0802 2.0702 2.0702 3.3223 3.3223 3.5716 3.5716 4.3842 4.3842 4.4579 4.4579 5.1400 5.1400 6.1284 6.1284 6.2236 6.2236 6.2612 6.2612 7.0684 7.0684 7.0807 7.0807 7.3731 7.3731 11.2224 11.2224 11.2556 11.2556 11.7607 11.7607 12.0460 12.0460 12.0656 12.0656 12.2529 12.2529 k = 0.2500 0.1079 1.2619 ( 7024 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9789 -5.9789 -5.9248 -5.9248 -4.7351 -4.7351 -4.3238 -4.3238 -4.1129 -4.1129 -3.9344 -3.9344 -3.6420 -3.6420 -3.2804 -3.2804 -3.2111 -3.2111 -3.0802 -3.0802 2.0702 2.0702 3.3223 3.3223 3.5716 3.5716 4.3842 4.3842 4.4579 4.4579 5.1400 5.1400 6.1284 6.1284 6.2236 6.2236 6.2612 6.2612 7.0684 7.0684 7.0807 7.0807 7.3731 7.3731 11.2224 11.2224 11.2556 11.2556 11.7607 11.7607 12.0460 12.0460 12.0656 12.0656 12.2529 12.2529 k = 0.2727 0.1177 1.2512 ( 7030 PWs) bands (ev): -53.9726 -53.9726 -28.3345 -28.3345 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9789 -5.9789 -5.9248 -5.9248 -4.7353 -4.7353 -4.3235 -4.3235 -4.1137 -4.1137 -3.9343 -3.9343 -3.6407 -3.6407 -3.2807 -3.2807 -3.2144 -3.2144 -3.0773 -3.0773 2.0706 2.0706 3.3224 3.3224 3.5719 3.5719 4.3840 4.3840 4.4580 4.4580 5.1410 5.1410 6.1267 6.1267 6.2165 6.2165 6.2709 6.2709 7.0309 7.0309 7.1164 7.1164 7.3727 7.3727 11.2016 11.2016 11.2748 11.2748 11.7576 11.7576 12.0422 12.0422 12.0641 12.0641 12.2601 12.2601 k = 0.2955 0.1275 1.2405 ( 7026 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9790 -5.9790 -5.9249 -5.9249 -4.7356 -4.7356 -4.3228 -4.3228 -4.1162 -4.1162 -3.9338 -3.9338 -3.6369 -3.6369 -3.2817 -3.2817 -3.2232 -3.2232 -3.0697 -3.0697 2.0718 2.0718 3.3227 3.3227 3.5725 3.5725 4.3836 4.3836 4.4583 4.4583 5.1440 5.1440 6.1217 6.1217 6.2036 6.2036 6.2911 6.2911 6.9863 6.9863 7.1555 7.1555 7.3712 7.3712 11.1703 11.1703 11.3009 11.3009 11.7489 11.7489 12.0363 12.0363 12.0562 12.0562 12.2804 12.2804 k = 0.3182 0.1373 1.2298 ( 7030 PWs) bands (ev): -53.9726 -53.9726 -28.3345 -28.3345 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9790 -5.9790 -5.9249 -5.9249 -4.7363 -4.7363 -4.3217 -4.3217 -4.1198 -4.1198 -3.9332 -3.9332 -3.6309 -3.6309 -3.2847 -3.2847 -3.2344 -3.2344 -3.0593 -3.0593 2.0739 2.0739 3.3233 3.3233 3.5737 3.5737 4.3831 4.3831 4.4586 4.4586 5.1486 5.1486 6.1137 6.1137 6.1909 6.1909 6.3157 6.3157 6.9406 6.9406 7.1921 7.1921 7.3689 7.3689 11.1392 11.1392 11.3228 11.3228 11.7355 11.7355 12.0289 12.0289 12.0460 12.0460 12.3096 12.3096 k = 0.3409 0.1471 1.2191 ( 7024 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6134 -20.6134 -19.1744 -19.1744 -19.1668 -19.1668 -5.9792 -5.9792 -5.9250 -5.9250 -4.7373 -4.7373 -4.3204 -4.3204 -4.1240 -4.1240 -3.9326 -3.9326 -3.6230 -3.6230 -3.2913 -3.2913 -3.2443 -3.2443 -3.0478 -3.0478 2.0769 2.0769 3.3241 3.3241 3.5753 3.5753 4.3826 4.3826 4.4591 4.4591 5.1546 5.1546 6.1036 6.1036 6.1795 6.1795 6.3431 6.3431 6.8942 6.8942 7.2256 7.2256 7.3656 7.3656 11.1103 11.1103 11.3380 11.3380 11.7187 11.7187 12.0145 12.0145 12.0441 12.0441 12.3439 12.3439 k = 0.3636 0.1569 1.2084 ( 7017 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7569 -20.7569 -20.6134 -20.6134 -19.1744 -19.1744 -19.1668 -19.1668 -5.9793 -5.9793 -5.9251 -5.9251 -4.7385 -4.7385 -4.3192 -4.3192 -4.1282 -4.1282 -3.9321 -3.9321 -3.6137 -3.6137 -3.3032 -3.3032 -3.2501 -3.2501 -3.0363 -3.0363 2.0809 2.0809 3.3253 3.3253 3.5773 3.5773 4.3820 4.3820 4.4595 4.4595 5.1616 5.1616 6.0919 6.0919 6.1695 6.1695 6.3727 6.3727 6.8476 6.8476 7.2556 7.2556 7.3615 7.3615 11.0848 11.0848 11.3456 11.3456 11.6996 11.6996 11.9951 11.9951 12.0515 12.0515 12.3803 12.3803 k = 0.3864 0.1667 1.1978 ( 7023 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7569 -20.7569 -20.6134 -20.6134 -19.1744 -19.1744 -19.1669 -19.1669 -5.9796 -5.9796 -5.9251 -5.9251 -4.7401 -4.7401 -4.3182 -4.3182 -4.1320 -4.1320 -3.9319 -3.9319 -3.6036 -3.6036 -3.3189 -3.3189 -3.2519 -3.2519 -3.0255 -3.0255 2.0859 2.0859 3.3269 3.3269 3.5798 3.5798 4.3817 4.3817 4.4599 4.4599 5.1689 5.1689 6.0793 6.0793 6.1609 6.1609 6.4042 6.4042 6.8012 6.8012 7.2813 7.2813 7.3567 7.3567 11.0635 11.0635 11.3453 11.3453 11.6792 11.6792 11.9746 11.9746 12.0660 12.0660 12.4166 12.4166 k = 0.4091 0.1765 1.1871 ( 7020 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7568 -20.7568 -20.6134 -20.6134 -19.1744 -19.1744 -19.1669 -19.1669 -5.9799 -5.9799 -5.9252 -5.9252 -4.7420 -4.7420 -4.3179 -4.3179 -4.1347 -4.1347 -3.9318 -3.9318 -3.5934 -3.5934 -3.3360 -3.3360 -3.2512 -3.2512 -3.0160 -3.0160 2.0920 2.0920 3.3289 3.3289 3.5828 3.5828 4.3815 4.3815 4.4601 4.4601 5.1760 5.1760 6.0666 6.0666 6.1537 6.1537 6.4376 6.4376 6.7554 6.7554 7.3022 7.3022 7.3514 7.3514 11.0471 11.0471 11.3377 11.3377 11.6585 11.6585 11.9540 11.9540 12.0863 12.0863 12.4513 12.4513 k = 0.4318 0.1864 1.1764 ( 7023 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7567 -20.7567 -20.6134 -20.6134 -19.1744 -19.1744 -19.1670 -19.1670 -5.9804 -5.9804 -5.9252 -5.9252 -4.7442 -4.7442 -4.3182 -4.3182 -4.1361 -4.1361 -3.9320 -3.9320 -3.5840 -3.5840 -3.3527 -3.3527 -3.2489 -3.2489 -3.0081 -3.0081 2.0991 2.0991 3.3315 3.3315 3.5862 3.5862 4.3815 4.3815 4.4602 4.4602 5.1822 5.1822 6.0542 6.0542 6.1480 6.1480 6.4724 6.4724 6.7104 6.7104 7.3168 7.3168 7.3468 7.3468 11.0361 11.0361 11.3240 11.3240 11.6380 11.6380 11.9341 11.9341 12.1108 12.1108 12.4830 12.4830 k = 0.4545 0.1962 1.1657 ( 7027 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7567 -20.7567 -20.6134 -20.6134 -19.1744 -19.1744 -19.1670 -19.1670 -5.9809 -5.9809 -5.9251 -5.9251 -4.7466 -4.7466 -4.3195 -4.3195 -4.1360 -4.1360 -3.9323 -3.9323 -3.5767 -3.5767 -3.3672 -3.3672 -3.2455 -3.2455 -3.0017 -3.0017 2.1075 2.1075 3.3347 3.3347 3.5901 3.5901 4.3819 4.3819 4.4601 4.4601 5.1871 5.1871 6.0426 6.0426 6.1439 6.1439 6.5087 6.5087 6.6667 6.6667 7.3222 7.3222 7.3456 7.3456 11.0307 11.0307 11.3054 11.3054 11.6183 11.6183 11.9154 11.9154 12.1377 12.1377 12.5101 12.5101 k = 0.4773 0.2060 1.1550 ( 7019 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7566 -20.7566 -20.6133 -20.6133 -19.1744 -19.1744 -19.1671 -19.1671 -5.9814 -5.9814 -5.9250 -5.9250 -4.7493 -4.7493 -4.3217 -4.3217 -4.1344 -4.1344 -3.9327 -3.9327 -3.5726 -3.5726 -3.3782 -3.3782 -3.2411 -3.2411 -2.9972 -2.9972 2.1170 2.1170 3.3384 3.3384 3.5944 3.5944 4.3825 4.3825 4.4598 4.4598 5.1901 5.1901 6.0323 6.0323 6.1414 6.1414 6.5458 6.5458 6.6247 6.6247 7.3182 7.3182 7.3476 7.3476 11.0311 11.0311 11.2831 11.2831 11.5998 11.5998 11.8982 11.8982 12.1651 12.1651 12.5303 12.5303 k = 0.5000 0.2158 1.1443 ( 7026 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7565 -20.7565 -20.6133 -20.6133 -19.1744 -19.1744 -19.1671 -19.1671 -5.9821 -5.9821 -5.9249 -5.9249 -4.7523 -4.7523 -4.3247 -4.3247 -4.1316 -4.1316 -3.9330 -3.9330 -3.5727 -3.5727 -3.3846 -3.3846 -3.2357 -3.2357 -2.9943 -2.9943 2.1276 2.1276 3.3429 3.3429 3.5991 3.5991 4.3833 4.3833 4.4592 4.4592 5.1910 5.1910 6.0235 6.0235 6.1406 6.1406 6.5753 6.5753 6.5930 6.5930 7.3099 7.3099 7.3479 7.3479 11.0368 11.0368 11.2583 11.2583 11.5828 11.5828 11.8828 11.8828 12.1916 12.1916 12.5405 12.5405 k = 0.5000 0.2158 1.1443 ( 7026 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7565 -20.7565 -20.6133 -20.6133 -19.1744 -19.1744 -19.1671 -19.1671 -5.9821 -5.9821 -5.9249 -5.9249 -4.7523 -4.7523 -4.3247 -4.3247 -4.1316 -4.1316 -3.9330 -3.9330 -3.5727 -3.5727 -3.3846 -3.3846 -3.2357 -3.2357 -2.9943 -2.9943 2.1276 2.1276 3.3429 3.3429 3.5991 3.5991 4.3833 4.3833 4.4592 4.4592 5.1910 5.1910 6.0235 6.0235 6.1406 6.1406 6.5753 6.5753 6.5930 6.5930 7.3099 7.3099 7.3479 7.3479 11.0368 11.0368 11.2583 11.2583 11.5828 11.5828 11.8828 11.8828 12.1916 12.1916 12.5405 12.5405 k = 0.5000 0.2158 1.1171 ( 7022 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7562 -20.7562 -20.6132 -20.6132 -19.1745 -19.1745 -19.1673 -19.1673 -5.9840 -5.9840 -5.9246 -5.9246 -4.7609 -4.7609 -4.3336 -4.3336 -4.1233 -4.1233 -3.9330 -3.9330 -3.5796 -3.5796 -3.3949 -3.3949 -3.2204 -3.2204 -2.9886 -2.9886 2.1592 2.1592 3.3565 3.3565 3.6132 3.6132 4.3856 4.3856 4.4579 4.4579 5.1902 5.1902 6.0017 6.0017 6.1411 6.1411 6.5546 6.5546 6.6110 6.6110 7.2822 7.2822 7.3444 7.3444 11.0603 11.0603 11.1909 11.1909 11.5376 11.5376 11.8428 11.8428 12.2558 12.2558 12.5574 12.5574 k = 0.5000 0.2158 1.0899 ( 7014 PWs) bands (ev): -53.9726 -53.9726 -28.3342 -28.3342 -20.7558 -20.7558 -20.6131 -20.6131 -19.1745 -19.1745 -19.1675 -19.1675 -5.9862 -5.9862 -5.9242 -5.9242 -4.7710 -4.7710 -4.3427 -4.3427 -4.1157 -4.1157 -3.9322 -3.9322 -3.5879 -3.5879 -3.4052 -3.4052 -3.2044 -3.2044 -2.9818 -2.9818 2.1968 2.1968 3.3732 3.3732 3.6300 3.6300 4.3875 4.3875 4.4574 4.4574 5.1894 5.1894 5.9773 5.9773 6.1423 6.1423 6.5297 6.5297 6.6318 6.6318 7.2488 7.2488 7.3413 7.3413 11.0876 11.0876 11.1215 11.1215 11.4852 11.4852 11.7954 11.7954 12.3148 12.3148 12.5854 12.5854 k = 0.5000 0.2158 1.0626 ( 7026 PWs) bands (ev): -53.9727 -53.9727 -28.3342 -28.3342 -20.7554 -20.7554 -20.6130 -20.6130 -19.1746 -19.1746 -19.1678 -19.1678 -5.9887 -5.9887 -5.9237 -5.9237 -4.7825 -4.7825 -4.3518 -4.3518 -4.1093 -4.1093 -3.9303 -3.9303 -3.5973 -3.5973 -3.4155 -3.4155 -3.1880 -3.1880 -2.9740 -2.9740 2.2402 2.2402 3.3929 3.3929 3.6495 3.6495 4.3885 4.3885 4.4584 4.4584 5.1884 5.1884 5.9512 5.9512 6.1440 6.1440 6.5020 6.5020 6.6540 6.6540 7.2108 7.2108 7.3379 7.3379 11.0511 11.0511 11.1190 11.1190 11.4266 11.4266 11.7412 11.7412 12.3639 12.3639 12.6231 12.6231 k = 0.5000 0.2158 1.0354 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3341 -28.3341 -20.7550 -20.7550 -20.6129 -20.6129 -19.1747 -19.1747 -19.1681 -19.1681 -5.9916 -5.9916 -5.9232 -5.9232 -4.7951 -4.7951 -4.3607 -4.3607 -4.1045 -4.1045 -3.9268 -3.9268 -3.6077 -3.6077 -3.4257 -3.4257 -3.1715 -3.1715 -2.9652 -2.9652 2.2889 2.2889 3.4158 3.4158 3.6716 3.6716 4.3880 4.3880 4.4616 4.4616 5.1874 5.1874 5.9239 5.9239 6.1463 6.1463 6.4723 6.4723 6.6770 6.6770 7.1691 7.1691 7.3341 7.3341 10.9814 10.9814 11.1533 11.1533 11.3628 11.3628 11.6809 11.6809 12.3973 12.3973 12.6688 12.6688 k = 0.5000 0.2158 1.0081 ( 7030 PWs) bands (ev): -53.9727 -53.9727 -28.3341 -28.3341 -20.7544 -20.7544 -20.6127 -20.6127 -19.1748 -19.1748 -19.1684 -19.1684 -5.9947 -5.9947 -5.9226 -5.9226 -4.8089 -4.8089 -4.3692 -4.3692 -4.1017 -4.1017 -3.9218 -3.9218 -3.6188 -3.6188 -3.4361 -3.4361 -3.1551 -3.1551 -2.9555 -2.9555 2.3426 2.3426 3.4420 3.4420 3.6961 3.6961 4.3861 4.3861 4.4673 4.4673 5.1862 5.1862 5.8963 5.8963 6.1489 6.1489 6.4413 6.4413 6.7005 6.7005 7.1244 7.1244 7.3298 7.3298 10.9126 10.9126 11.1902 11.1902 11.2949 11.2949 11.6150 11.6150 12.4106 12.4106 12.7171 12.7171 k = 0.5000 0.2158 0.9809 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3340 -28.3340 -20.7539 -20.7539 -20.6125 -20.6125 -19.1749 -19.1749 -19.1688 -19.1688 -5.9981 -5.9981 -5.9220 -5.9220 -4.8235 -4.8235 -4.3773 -4.3773 -4.1008 -4.1008 -3.9153 -3.9153 -3.6304 -3.6304 -3.4465 -3.4465 -3.1391 -3.1391 -2.9451 -2.9451 2.4008 2.4008 3.4716 3.4716 3.7229 3.7229 4.3828 4.3828 4.4755 4.4755 5.1850 5.1850 5.8687 5.8687 6.1519 6.1519 6.4097 6.4097 6.7242 6.7242 7.0774 7.0774 7.3249 7.3249 10.8452 10.8452 11.2165 11.2165 11.2368 11.2368 11.5445 11.5445 12.4035 12.4035 12.7388 12.7388 k = 0.5000 0.2158 0.9536 ( 7028 PWs) bands (ev): -53.9727 -53.9727 -28.3339 -28.3339 -20.7532 -20.7532 -20.6123 -20.6123 -19.1750 -19.1750 -19.1692 -19.1692 -6.0017 -6.0017 -5.9213 -5.9213 -4.8390 -4.8390 -4.3849 -4.3849 -4.1015 -4.1015 -3.9076 -3.9076 -3.6421 -3.6421 -3.4571 -3.4571 -3.1236 -3.1236 -2.9341 -2.9341 2.4632 2.4632 3.5047 3.5047 3.7519 3.7519 4.3787 4.3787 4.4860 4.4860 5.1837 5.1837 5.8415 5.8415 6.1551 6.1551 6.3781 6.3781 6.7477 6.7477 7.0289 7.0289 7.3192 7.3192 10.7795 10.7795 11.1471 11.1471 11.2735 11.2735 11.4700 11.4700 12.3802 12.3802 12.7594 12.7594 k = 0.5000 0.2158 0.9264 ( 7036 PWs) bands (ev): -53.9727 -53.9727 -28.3338 -28.3338 -20.7526 -20.7526 -20.6122 -20.6122 -19.1751 -19.1751 -19.1696 -19.1696 -6.0055 -6.0055 -5.9206 -5.9206 -4.8550 -4.8550 -4.3919 -4.3919 -4.1038 -4.1038 -3.8990 -3.8990 -3.6536 -3.6536 -3.4679 -3.4679 -3.1089 -3.1089 -2.9229 -2.9229 2.5291 2.5291 3.5417 3.5417 3.7828 3.7828 4.3742 4.3742 4.4986 4.4986 5.1824 5.1824 5.8151 5.8151 6.1583 6.1583 6.3474 6.3474 6.7708 6.7708 6.9797 6.9797 7.3126 7.3126 10.7155 10.7155 11.0706 11.0706 11.3161 11.3161 11.3933 11.3933 12.3463 12.3463 12.7818 12.7818 k = 0.5000 0.2158 0.8991 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3337 -28.3337 -20.7518 -20.7518 -20.6120 -20.6120 -19.1753 -19.1753 -19.1700 -19.1700 -6.0096 -6.0096 -5.9198 -5.9198 -4.8716 -4.8716 -4.3984 -4.3984 -4.1071 -4.1071 -3.8898 -3.8898 -3.6646 -3.6646 -3.4790 -3.4790 -3.0951 -3.0951 -2.9116 -2.9116 2.5980 2.5980 3.5827 3.5827 3.8155 3.8155 4.3698 4.3698 4.5130 4.5130 5.1812 5.1812 5.7899 5.7899 6.1615 6.1615 6.3180 6.3180 6.7934 6.7934 6.9306 6.9306 7.3052 7.3052 10.6535 10.6535 10.9921 10.9921 11.3081 11.3081 11.3664 11.3664 12.3061 12.3061 12.8020 12.8020 k = 0.5000 0.2158 0.8719 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3335 -28.3335 -20.7510 -20.7510 -20.6117 -20.6117 -19.1754 -19.1754 -19.1705 -19.1705 -6.0138 -6.0138 -5.9189 -5.9189 -4.8886 -4.8886 -4.4043 -4.4043 -4.1112 -4.1112 -3.8806 -3.8806 -3.6747 -3.6747 -3.4905 -3.4905 -3.0823 -3.0823 -2.9004 -2.9004 2.6694 2.6694 3.6278 3.6278 3.8497 3.8497 4.3660 4.3660 4.5291 4.5291 5.1799 5.1799 5.7660 5.7660 6.1645 6.1645 6.2906 6.2906 6.8151 6.8151 6.8825 6.8825 7.2966 7.2966 10.5935 10.5935 10.9121 10.9121 11.2279 11.2279 11.4115 11.4115 12.2622 12.2622 12.8070 12.8070 k = 0.5000 0.2158 0.8446 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3334 -28.3334 -20.7503 -20.7503 -20.6115 -20.6115 -19.1756 -19.1756 -19.1710 -19.1710 -6.0181 -6.0181 -5.9180 -5.9180 -4.9060 -4.9060 -4.4095 -4.4095 -4.1158 -4.1158 -3.8718 -3.8718 -3.6836 -3.6836 -3.5024 -3.5024 -3.0707 -3.0707 -2.8896 -2.8896 2.7427 2.7427 3.6773 3.6773 3.8852 3.8852 4.3632 4.3632 4.5468 4.5468 5.1788 5.1788 5.7437 5.7437 6.1669 6.1669 6.2657 6.2657 6.8308 6.8308 6.8411 6.8411 7.2868 7.2868 10.5355 10.5355 10.8309 10.8309 11.1450 11.1450 11.4594 11.4594 12.2164 12.2164 12.7105 12.7105 k = 0.5000 0.2158 0.8174 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3333 -28.3333 -20.7494 -20.7494 -20.6113 -20.6113 -19.1757 -19.1757 -19.1715 -19.1715 -6.0226 -6.0226 -5.9170 -5.9170 -4.9235 -4.9235 -4.4141 -4.4141 -4.1206 -4.1206 -3.8636 -3.8636 -3.6908 -3.6908 -3.5146 -3.5146 -3.0605 -3.0605 -2.8795 -2.8795 2.8172 2.8172 3.7315 3.7315 3.9217 3.9217 4.3617 4.3617 4.5661 4.5661 5.1778 5.1778 5.7231 5.7231 6.1685 6.1685 6.2439 6.2439 6.7909 6.7909 6.8567 6.8567 7.2757 7.2757 10.4793 10.4793 10.7489 10.7489 11.0617 11.0617 11.5083 11.5083 12.1699 12.1699 12.5801 12.5801 k = 0.5000 0.2158 0.7901 ( 7032 PWs) bands (ev): -53.9727 -53.9727 -28.3332 -28.3332 -20.7486 -20.7486 -20.6111 -20.6111 -19.1759 -19.1759 -19.1720 -19.1720 -6.0272 -6.0272 -5.9159 -5.9159 -4.9412 -4.9412 -4.4181 -4.4181 -4.1254 -4.1254 -3.8566 -3.8566 -3.6960 -3.6960 -3.5271 -3.5271 -3.0518 -3.0518 -2.8703 -2.8703 2.8923 2.8923 3.7904 3.7904 3.9590 3.9590 4.3619 4.3619 4.5869 4.5869 5.1771 5.1771 5.7043 5.7043 6.1689 6.1689 6.2257 6.2257 6.7505 6.7505 6.8751 6.8751 7.2631 7.2631 10.4249 10.4249 10.6663 10.6663 10.9787 10.9787 11.5579 11.5579 12.1236 12.1236 12.4476 12.4476 k = 0.5000 0.2158 0.7629 ( 7028 PWs) bands (ev): -53.9727 -53.9727 -28.3330 -28.3330 -20.7476 -20.7476 -20.6108 -20.6108 -19.1761 -19.1761 -19.1726 -19.1726 -6.0319 -6.0319 -5.9147 -5.9147 -4.9590 -4.9590 -4.4213 -4.4213 -4.1300 -4.1300 -3.8508 -3.8508 -3.6990 -3.6990 -3.5400 -3.5400 -3.0446 -3.0446 -2.8621 -2.8621 2.9676 2.9676 3.8543 3.8543 3.9966 3.9966 4.3641 4.3641 4.6093 4.6093 5.1766 5.1766 5.6874 5.6874 6.1676 6.1676 6.2114 6.2114 6.7143 6.7143 6.8922 6.8922 7.2489 7.2489 10.3720 10.3720 10.5835 10.5835 10.8967 10.8967 11.6077 11.6077 12.0780 12.0780 12.3156 12.3156 k = 0.5000 0.2158 0.7357 ( 7022 PWs) bands (ev): -53.9727 -53.9727 -28.3329 -28.3329 -20.7467 -20.7467 -20.6105 -20.6105 -19.1763 -19.1763 -19.1731 -19.1731 -6.0366 -6.0366 -5.9134 -5.9134 -4.9768 -4.9768 -4.4238 -4.4238 -4.1343 -4.1343 -3.8464 -3.8464 -3.6997 -3.6997 -3.5533 -3.5533 -3.0391 -3.0391 -2.8553 -2.8553 3.0425 3.0425 3.9230 3.9230 4.0342 4.0342 4.3686 4.3686 4.6331 4.6331 5.1765 5.1765 5.6726 5.6726 6.1643 6.1643 6.2014 6.2014 6.6833 6.6833 6.9076 6.9076 7.2328 7.2328 10.3200 10.3200 10.5010 10.5010 10.8162 10.8162 11.6570 11.6570 12.0337 12.0337 12.1857 12.1857 k = 0.5000 0.2158 0.7084 ( 7028 PWs) bands (ev): -53.9727 -53.9727 -28.3327 -28.3327 -20.7458 -20.7458 -20.6103 -20.6103 -19.1765 -19.1765 -19.1737 -19.1737 -6.0415 -6.0415 -5.9120 -5.9120 -4.9945 -4.9945 -4.4256 -4.4256 -4.1380 -4.1380 -3.8435 -3.8435 -3.6981 -3.6981 -3.5667 -3.5667 -3.0354 -3.0354 -2.8500 -2.8500 3.1164 3.1164 3.9967 3.9967 4.0715 4.0715 4.3756 4.3756 4.6584 4.6584 5.1770 5.1770 5.6599 5.6599 6.1591 6.1591 6.1956 6.1956 6.6583 6.6583 6.9213 6.9213 7.2147 7.2147 10.2677 10.2677 10.4201 10.4201 10.7379 10.7379 11.7038 11.7038 11.9902 11.9902 12.0608 12.0608 k = 0.5000 0.2158 0.6812 ( 7036 PWs) bands (ev): -53.9727 -53.9727 -28.3326 -28.3326 -20.7449 -20.7449 -20.6100 -20.6100 -19.1767 -19.1767 -19.1742 -19.1742 -6.0464 -6.0464 -5.9105 -5.9105 -5.0120 -5.0120 -4.4266 -4.4266 -4.1412 -4.1412 -3.8416 -3.8416 -3.6945 -3.6945 -3.5803 -3.5803 -3.0336 -3.0336 -2.8463 -2.8463 3.1892 3.1892 4.0750 4.0750 4.1081 4.1081 4.3853 4.3853 4.6853 4.6853 5.1782 5.1782 5.6493 5.6493 6.1522 6.1522 6.1938 6.1938 6.6398 6.6398 6.9329 6.9329 7.1946 7.1946 10.2131 10.2131 10.3427 10.3427 10.6622 10.6622 11.7401 11.7401 11.9354 11.9354 11.9621 11.9621 k = 0.5000 0.2158 0.6539 ( 7036 PWs) bands (ev): -53.9727 -53.9727 -28.3325 -28.3325 -20.7439 -20.7439 -20.6097 -20.6097 -19.1770 -19.1770 -19.1748 -19.1748 -6.0514 -6.0514 -5.9088 -5.9088 -5.0293 -5.0293 -4.4269 -4.4269 -4.1437 -4.1437 -3.8405 -3.8405 -3.6894 -3.6894 -3.5940 -3.5940 -3.0336 -3.0336 -2.8443 -2.8443 3.2605 3.2605 4.1436 4.1436 4.1576 4.1576 4.3981 4.3981 4.7136 4.7136 5.1802 5.1802 5.6410 5.6410 6.1438 6.1438 6.1963 6.1963 6.6282 6.6282 6.9424 6.9424 7.1721 7.1721 10.1524 10.1524 10.2725 10.2725 10.5897 10.5897 11.7252 11.7252 11.8799 11.8799 11.9199 11.9199 k = 0.5000 0.2158 0.6267 ( 7032 PWs) bands (ev): -53.9728 -53.9728 -28.3323 -28.3323 -20.7429 -20.7429 -20.6095 -20.6095 -19.1772 -19.1772 -19.1754 -19.1754 -6.0564 -6.0564 -5.9071 -5.9071 -5.0464 -5.0464 -4.4263 -4.4263 -4.1454 -4.1454 -3.8398 -3.8398 -3.6833 -3.6833 -3.6076 -3.6076 -3.0355 -3.0355 -2.8442 -2.8442 3.3301 3.3301 4.1778 4.1778 4.2438 4.2438 4.4139 4.4139 4.7434 4.7434 5.1834 5.1834 5.6348 5.6348 6.1340 6.1340 6.2034 6.2034 6.6232 6.6232 6.9496 6.9496 7.1472 7.1472 10.0821 10.0821 10.2129 10.2129 10.5207 10.5207 11.6322 11.6322 11.8736 11.8736 11.9112 11.9112 k = 0.5000 0.2158 0.5994 ( 7032 PWs) bands (ev): -53.9728 -53.9728 -28.3322 -28.3322 -20.7420 -20.7420 -20.6092 -20.6092 -19.1775 -19.1775 -19.1760 -19.1760 -6.0615 -6.0615 -5.9053 -5.9053 -5.0630 -5.0630 -4.4249 -4.4249 -4.1463 -4.1463 -3.8392 -3.8392 -3.6769 -3.6769 -3.6205 -3.6205 -3.0393 -3.0393 -2.8460 -2.8460 3.3979 3.3979 4.2102 4.2102 4.3327 4.3327 4.4330 4.4330 4.7747 4.7747 5.1880 5.1880 5.6310 5.6310 6.1234 6.1234 6.2153 6.2153 6.6246 6.6246 6.9542 6.9542 7.1198 7.1198 10.0028 10.0028 10.1634 10.1634 10.4557 10.4557 11.5179 11.5179 11.8442 11.8442 11.9483 11.9483 k = 0.5000 0.2158 0.5722 ( 7040 PWs) bands (ev): -53.9728 -53.9728 -28.3321 -28.3321 -20.7410 -20.7410 -20.6090 -20.6090 -19.1777 -19.1777 -19.1765 -19.1765 -6.0666 -6.0666 -5.9034 -5.9034 -5.0793 -5.0793 -4.4227 -4.4227 -4.1464 -4.1464 -3.8384 -3.8384 -3.6716 -3.6716 -3.6318 -3.6318 -3.0450 -3.0450 -2.8497 -2.8497 3.4638 3.4638 4.2408 4.2408 4.4212 4.4212 4.4574 4.4574 4.8075 4.8075 5.1945 5.1945 5.6294 5.6294 6.1129 6.1129 6.2321 6.2321 6.6318 6.6318 6.9562 6.9562 7.0899 7.0899 9.9171 9.9171 10.1212 10.1212 10.3950 10.3950 11.4011 11.4011 11.8123 11.8123 11.8845 11.8845 k = 0.5000 0.2158 0.5449 ( 7028 PWs) bands (ev): -53.9728 -53.9728 -28.3319 -28.3319 -20.7400 -20.7400 -20.6087 -20.6087 -19.1780 -19.1780 -19.1771 -19.1771 -6.0717 -6.0717 -5.9014 -5.9014 -5.0950 -5.0950 -4.4197 -4.4197 -4.1456 -4.1456 -3.8373 -3.8373 -3.6707 -3.6707 -3.6383 -3.6383 -3.0526 -3.0526 -2.8553 -2.8553 3.5278 3.5278 4.2693 4.2693 4.4735 4.4735 4.5216 4.5216 4.8419 4.8419 5.2036 5.2036 5.6303 5.6303 6.1033 6.1033 6.2536 6.2536 6.6441 6.6441 6.9552 6.9552 7.0574 7.0574 9.8274 9.8274 10.0841 10.0841 10.3389 10.3389 11.2855 11.2855 11.7700 11.7700 11.8151 11.8151 k = 0.5000 0.2158 0.5177 ( 7024 PWs) bands (ev): -53.9728 -53.9728 -28.3317 -28.3317 -20.7391 -20.7391 -20.6084 -20.6084 -19.1782 -19.1782 -19.1776 -19.1776 -6.0768 -6.0768 -5.8993 -5.8993 -5.1102 -5.1102 -4.4159 -4.4159 -4.1440 -4.1440 -3.8357 -3.8357 -3.6771 -3.6771 -3.6370 -3.6370 -3.0619 -3.0619 -2.8627 -2.8627 3.5898 3.5898 4.2957 4.2957 4.5016 4.5016 4.6115 4.6115 4.8777 4.8777 5.2161 5.2161 5.6336 5.6336 6.0952 6.0952 6.2799 6.2799 6.6611 6.6611 6.9508 6.9508 7.0227 7.0227 9.7349 9.7349 10.0507 10.0507 10.2875 10.2875 11.1724 11.1724 11.7010 11.7010 11.7791 11.7791 k = 0.5000 0.2158 0.4904 ( 7028 PWs) bands (ev): -53.9728 -53.9728 -28.3316 -28.3316 -20.7381 -20.7381 -20.6082 -20.6082 -19.1785 -19.1785 -19.1781 -19.1781 -6.0819 -6.0819 -5.8971 -5.8971 -5.1247 -5.1247 -4.4114 -4.4114 -4.1416 -4.1416 -3.8335 -3.8335 -3.6880 -3.6880 -3.6310 -3.6310 -3.0729 -3.0729 -2.8720 -2.8720 3.6498 3.6498 4.3201 4.3201 4.5303 4.5303 4.7001 4.7001 4.9150 4.9150 5.2335 5.2335 5.6395 5.6395 6.0893 6.0893 6.3106 6.3106 6.6821 6.6821 6.9418 6.9418 6.9871 6.9871 9.6405 9.6405 10.0204 10.0204 10.2409 10.2409 11.0624 11.0624 11.6261 11.6261 11.7563 11.7563 k = 0.5000 0.2158 0.4632 ( 7024 PWs) bands (ev): -53.9728 -53.9728 -28.3314 -28.3314 -20.7372 -20.7372 -20.6079 -20.6079 -19.1789 -19.1789 -19.1785 -19.1785 -6.0870 -6.0870 -5.8949 -5.8949 -5.1386 -5.1386 -4.4061 -4.4061 -4.1384 -4.1384 -3.8309 -3.8309 -3.7001 -3.7001 -3.6234 -3.6234 -3.0855 -3.0855 -2.8829 -2.8829 3.7075 3.7075 4.3425 4.3425 4.5602 4.5602 4.7834 4.7834 4.9537 4.9537 5.2577 5.2577 5.6481 5.6481 6.0860 6.0860 6.3458 6.3458 6.7065 6.7065 6.9229 6.9229 6.9556 6.9556 9.5445 9.5445 9.9931 9.9931 10.1992 10.1992 10.9560 10.9560 11.5542 11.5542 11.7383 11.7383 k = 0.5000 0.2158 0.4359 ( 7024 PWs) bands (ev): -53.9728 -53.9728 -28.3313 -28.3313 -20.7363 -20.7363 -20.6077 -20.6077 -19.1793 -19.1793 -19.1788 -19.1788 -6.0921 -6.0921 -5.8927 -5.8927 -5.1517 -5.1517 -4.4002 -4.4002 -4.1345 -4.1345 -3.8277 -3.8277 -3.7123 -3.7123 -3.6153 -3.6153 -3.0994 -3.0994 -2.8954 -2.8954 3.7629 3.7629 4.3630 4.3630 4.5912 4.5912 4.8581 4.8581 4.9939 4.9939 5.2914 5.2914 5.6596 5.6596 6.0854 6.0854 6.3850 6.3850 6.7340 6.7340 6.8879 6.8879 6.9346 6.9346 9.4475 9.4475 9.9685 9.9685 10.1622 10.1622 10.8536 10.8536 11.4868 11.4868 11.7235 11.7235 k = 0.5000 0.2158 0.4087 ( 7010 PWs) bands (ev): -53.9728 -53.9728 -28.3311 -28.3311 -20.7354 -20.7354 -20.6074 -20.6074 -19.1798 -19.1798 -19.1791 -19.1791 -6.0971 -6.0971 -5.8904 -5.8904 -5.1641 -5.1641 -4.3936 -4.3936 -4.1301 -4.1301 -3.8243 -3.8243 -3.7241 -3.7241 -3.6071 -3.6071 -3.1147 -3.1147 -2.9093 -2.9093 3.8157 3.8157 4.3816 4.3816 4.6230 4.6230 4.9208 4.9208 5.0355 5.0355 5.3367 5.3367 5.6740 5.6740 6.0875 6.0875 6.4280 6.4280 6.7638 6.7638 6.8441 6.8441 6.9173 6.9173 9.3496 9.3496 9.9467 9.9467 10.1299 10.1299 10.7553 10.7553 11.4243 11.4243 11.7115 11.7115 k = 0.5000 0.2158 0.3814 ( 7014 PWs) bands (ev): -53.9728 -53.9728 -28.3310 -28.3310 -20.7346 -20.7346 -20.6072 -20.6072 -19.1802 -19.1802 -19.1794 -19.1794 -6.1020 -6.1020 -5.8881 -5.8881 -5.1756 -5.1756 -4.3865 -4.3865 -4.1252 -4.1252 -3.8207 -3.8207 -3.7349 -3.7349 -3.5990 -3.5990 -3.1310 -3.1310 -2.9245 -2.9245 3.8657 3.8657 4.3987 4.3987 4.6552 4.6552 4.9700 4.9700 5.0784 5.0784 5.3945 5.3945 5.6917 5.6917 6.0923 6.0923 6.4745 6.4745 6.7946 6.7946 6.7967 6.7967 6.8996 6.8996 9.2514 9.2514 9.9276 9.9276 10.1021 10.1021 10.6616 10.6616 11.3668 11.3668 11.7019 11.7019 k = 0.5000 0.2158 0.3542 ( 7020 PWs) bands (ev): -53.9728 -53.9728 -28.3309 -28.3309 -20.7338 -20.7338 -20.6070 -20.6070 -19.1807 -19.1807 -19.1796 -19.1796 -6.1068 -6.1068 -5.8858 -5.8858 -5.1863 -5.1863 -4.3789 -4.3789 -4.1200 -4.1200 -3.8173 -3.8173 -3.7442 -3.7442 -3.5912 -3.5912 -3.1481 -3.1481 -2.9406 -2.9406 3.9125 3.9125 4.4145 4.4145 4.6874 4.6874 5.0067 5.0067 5.1226 5.1226 5.4629 5.4629 5.7129 5.7129 6.0995 6.0995 6.5237 6.5237 6.7461 6.7461 6.8239 6.8239 6.8836 6.8836 9.1532 9.1532 9.9112 9.9112 10.0784 10.0784 10.5727 10.5727 11.3144 11.3144 11.6943 11.6943 k = 0.5000 0.2158 0.3270 ( 7020 PWs) bands (ev): -53.9728 -53.9728 -28.3308 -28.3308 -20.7330 -20.7330 -20.6068 -20.6068 -19.1811 -19.1811 -19.1798 -19.1798 -6.1114 -6.1114 -5.8835 -5.8835 -5.1962 -5.1962 -4.3708 -4.3708 -4.1146 -4.1146 -3.8147 -3.8147 -3.7515 -3.7515 -3.5838 -3.5838 -3.1659 -3.1659 -2.9575 -2.9575 3.9558 3.9558 4.4293 4.4293 4.7191 4.7191 5.0334 5.0334 5.1679 5.1679 5.5382 5.5382 5.7379 5.7379 6.1088 6.1088 6.5749 6.5749 6.6941 6.6941 6.8329 6.8329 6.8867 6.8867 9.0554 9.0554 9.8975 9.8975 10.0586 10.0586 10.4890 10.4890 11.2670 11.2670 11.6884 11.6884 k = 0.5000 0.2158 0.2997 ( 7030 PWs) bands (ev): -53.9728 -53.9728 -28.3307 -28.3307 -20.7324 -20.7324 -20.6067 -20.6067 -19.1815 -19.1815 -19.1801 -19.1801 -6.1159 -6.1159 -5.8813 -5.8813 -5.2053 -5.2053 -4.3625 -4.3625 -4.1093 -4.1093 -3.8134 -3.8134 -3.7561 -3.7561 -3.5767 -3.5767 -3.1839 -3.1839 -2.9749 -2.9749 3.9953 3.9953 4.4433 4.4433 4.7498 4.7498 5.0528 5.0528 5.2143 5.2143 5.6164 5.6164 5.7673 5.7673 6.1197 6.1197 6.6219 6.6219 6.6456 6.6456 6.8147 6.8147 6.9163 6.9163 8.9586 8.9586 9.8864 9.8864 10.0424 10.0424 10.4106 10.4106 11.2244 11.2244 11.6839 11.6839 k = 0.5000 0.2158 0.2725 ( 7032 PWs) bands (ev): -53.9728 -53.9728 -28.3307 -28.3307 -20.7317 -20.7317 -20.6065 -20.6065 -19.1819 -19.1819 -19.1803 -19.1803 -6.1201 -6.1201 -5.8792 -5.8792 -5.2134 -5.2134 -4.3540 -4.3540 -4.1043 -4.1043 -3.8138 -3.8138 -3.7576 -3.7576 -3.5701 -3.5701 -3.2021 -3.2021 -2.9926 -2.9926 4.0306 4.0306 4.4570 4.4570 4.7792 4.7792 5.0671 5.0671 5.2616 5.2616 5.6935 5.6935 5.8020 5.8020 6.1320 6.1320 6.5828 6.5828 6.6801 6.6801 6.7910 6.7910 6.9527 6.9527 8.8632 8.8632 9.8777 9.8777 10.0293 10.0293 10.3380 10.3380 11.1865 11.1865 11.6804 11.6804 k = 0.5000 0.2158 0.2452 ( 7044 PWs) bands (ev): -53.9728 -53.9728 -28.3306 -28.3306 -20.7311 -20.7311 -20.6064 -20.6064 -19.1822 -19.1822 -19.1805 -19.1805 -6.1241 -6.1241 -5.8771 -5.8771 -5.2208 -5.2208 -4.3454 -4.3454 -4.0997 -4.0997 -3.8155 -3.8155 -3.7564 -3.7564 -3.5640 -3.5640 -3.2200 -3.2200 -3.0101 -3.0101 4.0616 4.0616 4.4706 4.4706 4.8067 4.8067 5.0778 5.0778 5.3096 5.3096 5.7648 5.7648 5.8438 5.8438 6.1452 6.1452 6.5275 6.5275 6.7119 6.7119 6.7817 6.7817 6.9908 6.9908 8.7699 8.7699 9.8712 9.8712 10.0189 10.0189 10.2715 10.2715 11.1530 11.1530 11.6774 11.6774 k = 0.5000 0.2158 0.2180 ( 7038 PWs) bands (ev): -53.9728 -53.9728 -28.3305 -28.3305 -20.7306 -20.7306 -20.6062 -20.6062 -19.1825 -19.1825 -19.1806 -19.1806 -6.1278 -6.1278 -5.8752 -5.8752 -5.2273 -5.2273 -4.3370 -4.3370 -4.0958 -4.0958 -3.8179 -3.8179 -3.7531 -3.7531 -3.5584 -3.5584 -3.2373 -3.2373 -3.0273 -3.0273 4.0883 4.0883 4.4841 4.4841 4.8321 4.8321 5.0859 5.0859 5.3581 5.3581 5.8262 5.8262 5.8948 5.8948 6.1590 6.1590 6.4716 6.4716 6.6976 6.6976 6.8153 6.8153 7.0296 7.0296 8.6796 8.6796 9.8668 9.8668 10.0107 10.0107 10.2116 10.2116 11.1237 11.1237 11.6745 11.6745 k = 0.5000 0.2158 0.1907 ( 7026 PWs) bands (ev): -53.9728 -53.9728 -28.3304 -28.3304 -20.7301 -20.7301 -20.6060 -20.6060 -19.1828 -19.1828 -19.1808 -19.1808 -6.1312 -6.1312 -5.8735 -5.8735 -5.2330 -5.2330 -4.3287 -4.3287 -4.0926 -4.0926 -3.8201 -3.8201 -3.7488 -3.7488 -3.5534 -3.5534 -3.2537 -3.2537 -3.0438 -3.0438 4.1105 4.1105 4.4974 4.4974 4.8550 4.8550 5.0921 5.0921 5.4065 5.4065 5.8783 5.8783 5.9519 5.9519 6.1733 6.1733 6.4163 6.4163 6.6638 6.6638 6.8639 6.8639 7.0683 7.0683 8.5929 8.5929 9.8641 9.8641 10.0041 10.0041 10.1588 10.1588 11.0985 11.0985 11.6712 11.6712 k = 0.5000 0.2158 0.1635 ( 7026 PWs) bands (ev): -53.9728 -53.9728 -28.3303 -28.3303 -20.7296 -20.7296 -20.6059 -20.6059 -19.1830 -19.1830 -19.1809 -19.1809 -6.1342 -6.1342 -5.8719 -5.8719 -5.2379 -5.2379 -4.3210 -4.3210 -4.0903 -4.0903 -3.8219 -3.8219 -3.7440 -3.7440 -3.5489 -3.5489 -3.2688 -3.2688 -3.0591 -3.0591 4.1287 4.1287 4.5103 4.5103 4.8753 4.8753 5.0967 5.0967 5.4545 5.4545 5.9259 5.9259 6.0079 6.0079 6.1881 6.1881 6.3623 6.3623 6.6249 6.6249 6.9123 6.9123 7.1065 7.1065 8.5112 8.5112 9.8627 9.8627 9.9980 9.9980 10.1139 10.1139 11.0771 11.0771 11.6669 11.6669 k = 0.5000 0.2158 0.1362 ( 7018 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7292 -20.7292 -20.6058 -20.6058 -19.1832 -19.1832 -19.1810 -19.1810 -6.1368 -6.1368 -5.8705 -5.8705 -5.2420 -5.2420 -4.3139 -4.3139 -4.0888 -4.0888 -3.8229 -3.8229 -3.7392 -3.7392 -3.5452 -3.5452 -3.2823 -3.2823 -3.0730 -3.0730 4.1431 4.1431 4.5224 4.5224 4.8926 4.8926 5.1001 5.1001 5.5010 5.5010 5.9716 5.9716 6.0571 6.0571 6.2035 6.2035 6.3111 6.3111 6.5838 6.5838 6.9568 6.9568 7.1436 7.1436 8.4358 8.4358 9.8624 9.8624 9.9910 9.9910 10.0784 10.0784 11.0593 11.0593 11.6609 11.6609 k = 0.5000 0.2158 0.1090 ( 7018 PWs) bands (ev): -53.9728 -53.9728 -28.3302 -28.3302 -20.7289 -20.7289 -20.6058 -20.6058 -19.1834 -19.1834 -19.1811 -19.1811 -6.1389 -6.1389 -5.8694 -5.8694 -5.2453 -5.2453 -4.3076 -4.3076 -4.0879 -4.0879 -3.8232 -3.8232 -3.7349 -3.7349 -3.5420 -3.5420 -3.2938 -3.2938 -3.0850 -3.0850 4.1541 4.1541 4.5332 4.5332 4.9070 4.9070 5.1025 5.1025 5.5449 5.5449 6.0155 6.0155 6.0962 6.0962 6.2197 6.2197 6.2648 6.2648 6.5420 6.5420 6.9951 6.9951 7.1788 7.1788 8.3686 8.3686 9.8627 9.8627 9.9813 9.9813 10.0538 10.0538 11.0450 11.0450 11.6530 11.6530 k = 0.5000 0.2158 0.0817 ( 7006 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7287 -20.7287 -20.6057 -20.6057 -19.1835 -19.1835 -19.1812 -19.1812 -6.1407 -6.1407 -5.8685 -5.8685 -5.2479 -5.2479 -4.3025 -4.3025 -4.0876 -4.0876 -3.8231 -3.8231 -3.7314 -3.7314 -3.5396 -3.5396 -3.3031 -3.3031 -3.0948 -3.0948 4.1621 4.1621 4.5422 4.5422 4.9182 4.9182 5.1042 5.1042 5.5843 5.5843 6.0553 6.0553 6.1233 6.1233 6.2267 6.2267 6.2363 6.2363 6.5014 6.5014 7.0259 7.0259 7.2103 7.2103 8.3120 8.3120 9.8633 9.8633 9.9690 9.9690 10.0397 10.0397 11.0341 11.0341 11.6434 11.6434 k = 0.5000 0.2158 0.0545 ( 7018 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7286 -20.7286 -20.6056 -20.6056 -19.1836 -19.1836 -19.1813 -19.1813 -6.1419 -6.1419 -5.8678 -5.8678 -5.2497 -5.2497 -4.2986 -4.2986 -4.0875 -4.0875 -3.8228 -3.8228 -3.7287 -3.7287 -3.5379 -3.5379 -3.3099 -3.3099 -3.1020 -3.1020 4.1676 4.1676 4.5490 4.5490 4.9263 4.9263 5.1052 5.1052 5.6165 5.6165 6.0857 6.0857 6.1378 6.1378 6.2037 6.2037 6.2508 6.2508 6.4652 6.4652 7.0482 7.0482 7.2359 7.2359 8.2685 8.2685 9.8639 9.8639 9.9571 9.9571 10.0330 10.0330 11.0263 11.0263 11.6301 11.6301 k = 0.5000 0.2158 0.0272 ( 7018 PWs) bands (ev): -53.9728 -53.9728 -28.3301 -28.3301 -20.7285 -20.7285 -20.6056 -20.6056 -19.1837 -19.1837 -19.1813 -19.1813 -6.1427 -6.1427 -5.8674 -5.8674 -5.2508 -5.2508 -4.2962 -4.2962 -4.0876 -4.0876 -3.8224 -3.8224 -3.7270 -3.7270 -3.5368 -3.5368 -3.3141 -3.3141 -3.1065 -3.1065 4.1708 4.1708 4.5532 4.5532 4.9312 4.9312 5.1058 5.1058 5.6380 5.6380 6.0996 6.0996 6.1442 6.1442 6.1982 6.1982 6.2608 6.2608 6.4385 6.4385 7.0616 7.0616 7.2528 7.2528 8.2409 8.2409 9.8644 9.8644 9.9489 9.9489 10.0302 10.0302 11.0217 11.0217 11.6125 11.6125 k = 0.5000 0.2158-0.0000 ( 7030 PWs) bands (ev): -53.9729 -53.9729 -28.3302 -28.3302 -20.7285 -20.7285 -20.6056 -20.6056 -19.1837 -19.1837 -19.1813 -19.1813 -6.1429 -6.1429 -5.8673 -5.8673 -5.2512 -5.2512 -4.2954 -4.2954 -4.0877 -4.0877 -3.8223 -3.8223 -3.7264 -3.7264 -3.5365 -3.5365 -3.3155 -3.3155 -3.1080 -3.1080 4.1718 4.1718 4.5547 4.5547 4.9328 4.9328 5.1060 5.1060 5.6457 5.6457 6.1015 6.1015 6.1470 6.1470 6.1992 6.1992 6.2644 6.2644 6.4282 6.4282 7.0661 7.0661 7.2587 7.2587 8.2314 8.2314 9.8646 9.8646 9.9459 9.9459 10.0294 10.0294 11.0201 11.0201 11.6064 11.6064 k = 0.0000 0.0000 1.2619 ( 6998 PWs) bands (ev): -53.9726 -53.9726 -28.3343 -28.3343 -20.7570 -20.7570 -20.6134 -20.6134 -19.1743 -19.1743 -19.1668 -19.1668 -5.9783 -5.9783 -5.9256 -5.9256 -4.7350 -4.7350 -4.3021 -4.3021 -4.1548 -4.1548 -3.9309 -3.9309 -3.5592 -3.5592 -3.3539 -3.3539 -3.2771 -3.2771 -3.0053 -3.0053 2.0653 2.0653 3.3167 3.3167 3.5716 3.5716 4.3773 4.3773 4.4640 4.4640 5.1924 5.1924 6.0694 6.0694 6.1430 6.1430 6.5477 6.5477 6.6224 6.6224 7.3437 7.3437 7.3770 7.3770 10.9896 10.9896 11.4378 11.4378 11.6824 11.6824 11.9691 11.9691 11.9898 11.9898 12.5642 12.5642 k = 0.0250 0.0108 1.2619 ( 7000 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6134 -20.6134 -19.1743 -19.1743 -19.1668 -19.1668 -5.9783 -5.9783 -5.9256 -5.9256 -4.7350 -4.7350 -4.3027 -4.3027 -4.1538 -4.1538 -3.9310 -3.9310 -3.5620 -3.5620 -3.3504 -3.3504 -3.2770 -3.2770 -3.0066 -3.0066 2.0655 2.0655 3.3169 3.3169 3.5716 3.5716 4.3775 4.3775 4.4638 4.4638 5.1911 5.1911 6.0707 6.0707 6.1440 6.1440 6.5278 6.5278 6.6442 6.6442 7.3409 7.3409 7.3766 7.3766 10.9929 10.9929 11.4361 11.4361 11.6837 11.6837 11.9703 11.9703 11.9910 11.9910 12.5515 12.5515 k = 0.0500 0.0216 1.2619 ( 7012 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9784 -5.9784 -5.9256 -5.9256 -4.7350 -4.7350 -4.3045 -4.3045 -4.1506 -4.1506 -3.9312 -3.9312 -3.5697 -3.5697 -3.3404 -3.3404 -3.2768 -3.2768 -3.0103 -3.0103 2.0658 2.0658 3.3173 3.3173 3.5716 3.5716 4.3779 4.3779 4.4634 4.4634 5.1872 5.1872 6.0748 6.0748 6.1467 6.1467 6.4920 6.4920 6.6851 6.6851 7.3322 7.3322 7.3757 7.3757 11.0025 11.0025 11.4308 11.4308 11.6878 11.6878 11.9739 11.9739 11.9944 11.9944 12.5200 12.5200 k = 0.0750 0.0324 1.2619 ( 7016 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9785 -5.9785 -5.9255 -5.9255 -4.7350 -4.7350 -4.3073 -4.3073 -4.1458 -4.1458 -3.9315 -3.9315 -3.5807 -3.5807 -3.3257 -3.3257 -3.2764 -3.2764 -3.0163 -3.0163 2.0663 2.0663 3.3179 3.3179 3.5716 3.5716 4.3786 4.3786 4.4628 4.4628 5.1812 5.1812 6.0811 6.0811 6.1513 6.1513 6.4546 6.4546 6.7311 6.7311 7.3174 7.3174 7.3748 7.3748 11.0181 11.0181 11.4216 11.4216 11.6946 11.6946 11.9800 11.9800 11.9999 11.9999 12.4797 12.4797 k = 0.1000 0.0432 1.2619 ( 7024 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9785 -5.9785 -5.9254 -5.9254 -4.7350 -4.7350 -4.3105 -4.3105 -4.1399 -4.1399 -3.9319 -3.9319 -3.5934 -3.5934 -3.3086 -3.3086 -3.2751 -3.2751 -3.0245 -3.0245 2.0670 2.0670 3.3186 3.3186 3.5716 3.5716 4.3795 4.3795 4.4620 4.4620 5.1738 5.1738 6.0891 6.0891 6.1576 6.1576 6.4182 6.4182 6.7792 6.7792 7.2965 7.2965 7.3742 7.3742 11.0393 11.0393 11.4081 11.4081 11.7041 11.7041 11.9886 11.9886 12.0074 12.0074 12.4363 12.4363 k = 0.1250 0.0539 1.2619 ( 7018 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9786 -5.9786 -5.9252 -5.9252 -4.7351 -4.7351 -4.3139 -4.3139 -4.1334 -4.1334 -3.9324 -3.9324 -3.6061 -3.6061 -3.2925 -3.2925 -3.2712 -3.2712 -3.0345 -3.0345 2.0678 2.0678 3.3195 3.3195 3.5716 3.5716 4.3806 4.3806 4.4611 4.4611 5.1656 5.1656 6.0982 6.0982 6.1656 6.1656 6.3837 6.3837 6.8285 6.8285 7.2701 7.2701 7.3738 7.3738 11.0654 11.0654 11.3900 11.3900 11.7157 11.7157 11.9995 11.9995 12.0164 12.0164 12.3930 12.3930 k = 0.1500 0.0647 1.2619 ( 7024 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9787 -5.9787 -5.9251 -5.9251 -4.7351 -4.7351 -4.3171 -4.3171 -4.1270 -4.1270 -3.9329 -3.9329 -3.6180 -3.6180 -3.2841 -3.2841 -3.2593 -3.2593 -3.0458 -3.0458 2.0685 2.0685 3.3204 3.3204 3.5716 3.5716 4.3817 4.3817 4.4601 4.4601 5.1576 5.1576 6.1074 6.1074 6.1754 6.1754 6.3514 6.3514 6.8784 6.8784 7.2386 7.2386 7.3735 7.3735 11.0955 11.0955 11.3673 11.3673 11.7284 11.7284 12.0123 12.0123 12.0267 12.0267 12.3517 12.3517 k = 0.1750 0.0755 1.2619 ( 7028 PWs) bands (ev): -53.9726 -53.9726 -28.3345 -28.3345 -20.7571 -20.7571 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9788 -5.9788 -5.9250 -5.9250 -4.7351 -4.7351 -4.3199 -4.3199 -4.1213 -4.1213 -3.9335 -3.9335 -3.6280 -3.6280 -3.2817 -3.2817 -3.2425 -3.2425 -3.0576 -3.0576 2.0692 2.0692 3.3211 3.3211 3.5716 3.5716 4.3827 4.3827 4.4592 4.4592 5.1504 5.1504 6.1159 6.1159 6.1872 6.1872 6.3216 6.3216 6.9285 6.9285 7.2027 7.2027 7.3733 7.3733 11.1286 11.1286 11.3405 11.3405 11.7408 11.7408 12.0256 12.0256 12.0381 12.0381 12.3142 12.3142 k = 0.2000 0.0863 1.2619 ( 7032 PWs) bands (ev): -53.9726 -53.9726 -28.3345 -28.3345 -20.7571 -20.7571 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9789 -5.9789 -5.9249 -5.9249 -4.7351 -4.7351 -4.3220 -4.3220 -4.1168 -4.1168 -3.9340 -3.9340 -3.6356 -3.6356 -3.2808 -3.2808 -3.2267 -3.2267 -3.0687 -3.0687 2.0697 2.0697 3.3218 3.3218 3.5716 3.5716 4.3835 4.3835 4.4585 4.4585 5.1448 5.1448 6.1226 6.1226 6.2008 6.2008 6.2948 6.2948 6.9781 6.9781 7.1631 7.1631 7.3732 7.3732 11.1636 11.1636 11.3103 11.3103 11.7512 11.7512 12.0366 12.0366 12.0505 12.0505 12.2828 12.2828 k = 0.2250 0.0971 1.2619 ( 7038 PWs) bands (ev): -53.9726 -53.9726 -28.3345 -28.3345 -20.7571 -20.7571 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9789 -5.9789 -5.9248 -5.9248 -4.7351 -4.7351 -4.3233 -4.3233 -4.1139 -4.1139 -3.9343 -3.9343 -3.6404 -3.6404 -3.2805 -3.2805 -3.2153 -3.2153 -3.0770 -3.0770 2.0701 2.0701 3.3222 3.3222 3.5716 3.5716 4.3840 4.3840 4.4580 4.4580 5.1412 5.1412 6.1269 6.1269 6.2151 6.2151 6.2724 6.2724 7.0267 7.0267 7.1204 7.1204 7.3732 7.3732 11.1986 11.1986 11.2783 11.2783 11.7582 11.7582 12.0436 12.0436 12.0612 12.0612 12.2609 12.2609 k = 0.2500 0.1079 1.2619 ( 7024 PWs) bands (ev): -53.9726 -53.9726 -28.3344 -28.3344 -20.7570 -20.7570 -20.6135 -20.6135 -19.1743 -19.1743 -19.1668 -19.1668 -5.9789 -5.9789 -5.9248 -5.9248 -4.7351 -4.7351 -4.3238 -4.3238 -4.1129 -4.1129 -3.9344 -3.9344 -3.6420 -3.6420 -3.2804 -3.2804 -3.2111 -3.2111 -3.0802 -3.0802 2.0702 2.0702 3.3223 3.3223 3.5716 3.5716 4.3842 4.3842 4.4579 4.4579 5.1400 5.1400 6.1284 6.1284 6.2236 6.2236 6.2612 6.2612 7.0684 7.0684 7.0807 7.0807 7.3731 7.3731 11.2224 11.2224 11.2556 11.2556 11.7607 11.7607 12.0460 12.0460 12.0656 12.0656 12.2529 12.2529 Writing output data file Ba2HfS4.save init_run : 0.52s CPU 0.79s WALL ( 1 calls) electrons : 421.34s CPU 424.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 421.34s CPU 424.84s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.14s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.13s WALL ( 285 calls) cegterg : 389.20s CPU 392.00s WALL ( 463 calls) Called by sum_band: Called by *egterg: h_psi : 273.32s CPU 275.29s WALL ( 7171 calls) s_psi : 17.21s CPU 17.13s WALL ( 7171 calls) g_psi : 0.50s CPU 0.49s WALL ( 6423 calls) cdiaghg : 87.98s CPU 88.94s WALL ( 6708 calls) cegterg:over : 13.25s CPU 13.46s WALL ( 6423 calls) cegterg:upda : 12.76s CPU 12.79s WALL ( 6423 calls) cegterg:last : 6.02s CPU 5.95s WALL ( 1142 calls) cdiaghg:chol : 5.50s CPU 5.20s WALL ( 6708 calls) cdiaghg:inve : 3.62s CPU 3.84s WALL ( 6708 calls) cdiaghg:para : 6.48s CPU 6.63s WALL ( 13416 calls) Called by h_psi: h_psi:vloc : 244.31s CPU 246.00s WALL ( 7171 calls) h_psi:vnl : 28.58s CPU 28.82s WALL ( 7171 calls) add_vuspsi : 15.85s CPU 16.05s WALL ( 7171 calls) General routines calbec : 12.70s CPU 12.75s WALL ( 7171 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 225.68s CPU 227.11s WALL ( 954228 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.39s WALL ( 570 calls) Parallel routines fft_scatter : 64.41s CPU 64.95s WALL ( 954251 calls) PWSCF : 7m27.00s CPU 7m44.53s WALL This run was terminated on: 14:32:20 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=