Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:34:58 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: ./TiAu2.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 69 52 15 1386 903 141 Max 70 53 16 1387 920 143 Sum 2499 1891 551 49905 32805 5109 bravais-lattice index = 14 lattice parameter (alat) = 9.2783 a.u. unit-cell volume = 338.9307 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.278307 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.755984 celldm(5)= -0.755984 celldm(6)= 0.511968 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.511968 0.859005 0.000000 ) a(3) = ( -0.755984 -0.429502 0.493980 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.596001 1.012187 ) b(2) = ( 0.000000 1.164138 1.012187 ) b(3) = ( 0.000000 0.000000 2.024374 ) PseudoPot. # 1 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ti 12.00 47.86700 Ti( 1.00) Au 11.00 196.96660 Au( 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= 418 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 2) = ( 0.0000000 0.0000000 0.0155721), wk = 0.0023923 k( 3) = ( 0.0000000 0.0000000 0.0311442), wk = 0.0023923 k( 4) = ( 0.0000000 0.0000000 0.0467163), wk = 0.0023923 k( 5) = ( 0.0000000 0.0000000 0.0622884), wk = 0.0023923 k( 6) = ( 0.0000000 0.0000000 0.0778605), wk = 0.0023923 k( 7) = ( 0.0000000 0.0000000 0.0934327), wk = 0.0023923 k( 8) = ( 0.0000000 0.0000000 0.1090047), wk = 0.0023923 k( 9) = ( 0.0000000 0.0000000 0.1245769), wk = 0.0023923 k( 10) = ( 0.0000000 0.0000000 0.1401490), wk = 0.0023923 k( 11) = ( 0.0000000 0.0000000 0.1557211), wk = 0.0023923 k( 12) = ( 0.0000000 0.0000000 0.1712932), wk = 0.0023923 k( 13) = ( 0.0000000 0.0000000 0.1868653), wk = 0.0023923 k( 14) = ( 0.0000000 0.0000000 0.2024374), wk = 0.0023923 k( 15) = ( 0.0000000 0.0000000 0.2180095), wk = 0.0023923 k( 16) = ( 0.0000000 0.0000000 0.2335816), wk = 0.0023923 k( 17) = ( 0.0000000 0.0000000 0.2491537), wk = 0.0023923 k( 18) = ( 0.0000000 0.0000000 0.2647258), wk = 0.0023923 k( 19) = ( 0.0000000 0.0000000 0.2802979), wk = 0.0023923 k( 20) = ( 0.0000000 0.0000000 0.2958701), wk = 0.0023923 k( 21) = ( 0.0000000 0.0000000 0.3114422), wk = 0.0023923 k( 22) = ( 0.0000000 0.0000000 0.3270143), wk = 0.0023923 k( 23) = ( 0.0000000 0.0000000 0.3425864), wk = 0.0023923 k( 24) = ( 0.0000000 0.0000000 0.3581585), wk = 0.0023923 k( 25) = ( 0.0000000 0.0000000 0.3737306), wk = 0.0023923 k( 26) = ( 0.0000000 0.0000000 0.3893027), wk = 0.0023923 k( 27) = ( 0.0000000 0.0000000 0.4048748), wk = 0.0023923 k( 28) = ( 0.0000000 0.0000000 0.4204469), wk = 0.0023923 k( 29) = ( 0.0000000 0.0000000 0.4360190), wk = 0.0023923 k( 30) = ( 0.0000000 0.0000000 0.4515911), wk = 0.0023923 k( 31) = ( 0.0000000 0.0000000 0.4671632), wk = 0.0023923 k( 32) = ( 0.0000000 0.0000000 0.4827354), wk = 0.0023923 k( 33) = ( 0.0000000 0.0000000 0.4983075), wk = 0.0023923 k( 34) = ( 0.0000000 0.0000000 0.5138796), wk = 0.0023923 k( 35) = ( 0.0000000 0.0000000 0.5294517), wk = 0.0023923 k( 36) = ( 0.0000000 0.0000000 0.5450238), wk = 0.0023923 k( 37) = ( 0.0000000 0.0000000 0.5605959), wk = 0.0023923 k( 38) = ( 0.0000000 0.0000000 0.5761680), wk = 0.0023923 k( 39) = ( 0.0000000 0.0000000 0.5917401), wk = 0.0023923 k( 40) = ( 0.0000000 0.0000000 0.6073122), wk = 0.0023923 k( 41) = ( 0.0000000 0.0000000 0.6228843), wk = 0.0023923 k( 42) = ( 0.0000000 0.0000000 0.6384564), wk = 0.0023923 k( 43) = ( 0.0000000 0.0000000 0.6540285), wk = 0.0023923 k( 44) = ( 0.0000000 0.0000000 0.6696006), wk = 0.0023923 k( 45) = ( 0.0000000 0.0000000 0.6851728), wk = 0.0023923 k( 46) = ( 0.0000000 0.0000000 0.7007449), wk = 0.0023923 k( 47) = ( 0.0000000 0.0000000 0.7163170), wk = 0.0023923 k( 48) = ( 0.0000000 0.0000000 0.7318891), wk = 0.0023923 k( 49) = ( 0.0000000 0.0000000 0.7474612), wk = 0.0023923 k( 50) = ( 0.0000000 0.0000000 0.7630333), wk = 0.0023923 k( 51) = ( 0.0000000 0.0000000 0.7786054), wk = 0.0023923 k( 52) = ( 0.0000000 0.0000000 0.7941775), wk = 0.0023923 k( 53) = ( 0.0000000 0.0000000 0.8097496), wk = 0.0023923 k( 54) = ( 0.0000000 0.0000000 0.8253217), wk = 0.0023923 k( 55) = ( 0.0000000 0.0000000 0.8408938), wk = 0.0023923 k( 56) = ( 0.0000000 0.0000000 0.8564659), wk = 0.0023923 k( 57) = ( 0.0000000 0.0000000 0.8720380), wk = 0.0023923 k( 58) = ( 0.0000000 0.0000000 0.8876102), wk = 0.0023923 k( 59) = ( 0.0000000 0.0000000 0.9031823), wk = 0.0023923 k( 60) = ( 0.0000000 0.0000000 0.9187544), wk = 0.0023923 k( 61) = ( 0.0000000 0.0000000 0.9343265), wk = 0.0023923 k( 62) = ( 0.0000000 0.0000000 0.9498986), wk = 0.0023923 k( 63) = ( 0.0000000 0.0000000 0.9654707), wk = 0.0023923 k( 64) = ( 0.0000000 0.0000000 0.9810428), wk = 0.0023923 k( 65) = ( 0.0000000 0.0000000 0.9966149), wk = 0.0023923 k( 66) = ( 0.0000000 0.0000000 1.0121870), wk = 0.0023923 k( 67) = ( 0.0000000 0.0000000 1.0121870), wk = 0.0023923 k( 68) = ( -0.0073359 0.0129122 1.0121870), wk = 0.0023923 k( 69) = ( -0.0146718 0.0258244 1.0121870), wk = 0.0023923 k( 70) = ( -0.0220077 0.0387366 1.0121870), wk = 0.0023923 k( 71) = ( -0.0293436 0.0516488 1.0121870), wk = 0.0023923 k( 72) = ( -0.0366795 0.0645610 1.0121870), wk = 0.0023923 k( 73) = ( -0.0440154 0.0774732 1.0121870), wk = 0.0023923 k( 74) = ( -0.0513513 0.0903854 1.0121870), wk = 0.0023923 k( 75) = ( -0.0586872 0.1032976 1.0121870), wk = 0.0023923 k( 76) = ( -0.0660231 0.1162098 1.0121870), wk = 0.0023923 k( 77) = ( -0.0733590 0.1291220 1.0121870), wk = 0.0023923 k( 78) = ( -0.0806949 0.1420342 1.0121870), wk = 0.0023923 k( 79) = ( -0.0806949 0.1420342 1.0121870), wk = 0.0023923 k( 80) = ( -0.0860706 0.1514962 1.0013046), wk = 0.0023923 k( 81) = ( -0.0914463 0.1609582 0.9904221), wk = 0.0023923 k( 82) = ( -0.0968220 0.1704202 0.9795397), wk = 0.0023923 k( 83) = ( -0.1021977 0.1798822 0.9686572), wk = 0.0023923 k( 84) = ( -0.1075734 0.1893442 0.9577748), wk = 0.0023923 k( 85) = ( -0.1129491 0.1988062 0.9468924), wk = 0.0023923 k( 86) = ( -0.1183248 0.2082682 0.9360099), wk = 0.0023923 k( 87) = ( -0.1237005 0.2177302 0.9251275), wk = 0.0023923 k( 88) = ( -0.1290762 0.2271921 0.9142451), wk = 0.0023923 k( 89) = ( -0.1344519 0.2366541 0.9033626), wk = 0.0023923 k( 90) = ( -0.1398276 0.2461161 0.8924802), wk = 0.0023923 k( 91) = ( -0.1452034 0.2555781 0.8815977), wk = 0.0023923 k( 92) = ( -0.1505791 0.2650401 0.8707153), wk = 0.0023923 k( 93) = ( -0.1559548 0.2745021 0.8598329), wk = 0.0023923 k( 94) = ( -0.1613305 0.2839641 0.8489504), wk = 0.0023923 k( 95) = ( -0.1667062 0.2934261 0.8380680), wk = 0.0023923 k( 96) = ( -0.1720819 0.3028881 0.8271855), wk = 0.0023923 k( 97) = ( -0.1774576 0.3123501 0.8163031), wk = 0.0023923 k( 98) = ( -0.1828333 0.3218121 0.8054206), wk = 0.0023923 k( 99) = ( -0.1882090 0.3312741 0.7945382), wk = 0.0023923 k( 100) = ( -0.1935847 0.3407361 0.7836558), wk = 0.0023923 k( 101) = ( -0.1989604 0.3501980 0.7727733), wk = 0.0023923 k( 102) = ( -0.2043361 0.3596600 0.7618909), wk = 0.0023923 k( 103) = ( -0.2097118 0.3691220 0.7510084), wk = 0.0023923 k( 104) = ( -0.2150875 0.3785840 0.7401260), wk = 0.0023923 k( 105) = ( -0.2204632 0.3880460 0.7292435), wk = 0.0023923 k( 106) = ( -0.2258390 0.3975080 0.7183611), wk = 0.0023923 k( 107) = ( -0.2312147 0.4069700 0.7074787), wk = 0.0023923 k( 108) = ( -0.2365904 0.4164320 0.6965962), wk = 0.0023923 k( 109) = ( -0.2419661 0.4258940 0.6857138), wk = 0.0023923 k( 110) = ( -0.2473418 0.4353560 0.6748313), wk = 0.0023923 k( 111) = ( -0.2527175 0.4448180 0.6639489), wk = 0.0023923 k( 112) = ( -0.2580932 0.4542800 0.6530665), wk = 0.0023923 k( 113) = ( -0.2634689 0.4637420 0.6421840), wk = 0.0023923 k( 114) = ( -0.2688446 0.4732040 0.6313016), wk = 0.0023923 k( 115) = ( -0.2742203 0.4826660 0.6204191), wk = 0.0023923 k( 116) = ( -0.2795960 0.4921279 0.6095367), wk = 0.0023923 k( 117) = ( -0.2849717 0.5015899 0.5986542), wk = 0.0023923 k( 118) = ( -0.2903474 0.5110519 0.5877718), wk = 0.0023923 k( 119) = ( -0.2903474 0.5110519 0.5877718), wk = 0.0023923 k( 120) = ( -0.2849706 0.5015880 0.5768871), wk = 0.0023923 k( 121) = ( -0.2795938 0.4921241 0.5660025), wk = 0.0023923 k( 122) = ( -0.2742170 0.4826601 0.5551178), wk = 0.0023923 k( 123) = ( -0.2688402 0.4731962 0.5442332), wk = 0.0023923 k( 124) = ( -0.2634634 0.4637323 0.5333485), wk = 0.0023923 k( 125) = ( -0.2580866 0.4542684 0.5224638), wk = 0.0023923 k( 126) = ( -0.2527098 0.4448045 0.5115792), wk = 0.0023923 k( 127) = ( -0.2473330 0.4353405 0.5006945), wk = 0.0023923 k( 128) = ( -0.2419562 0.4258766 0.4898098), wk = 0.0023923 k( 129) = ( -0.2365794 0.4164127 0.4789252), wk = 0.0023923 k( 130) = ( -0.2312026 0.4069488 0.4680405), wk = 0.0023923 k( 131) = ( -0.2258258 0.3974848 0.4571558), wk = 0.0023923 k( 132) = ( -0.2204490 0.3880209 0.4462712), wk = 0.0023923 k( 133) = ( -0.2150722 0.3785570 0.4353865), wk = 0.0023923 k( 134) = ( -0.2096954 0.3690931 0.4245019), wk = 0.0023923 k( 135) = ( -0.2043186 0.3596291 0.4136172), wk = 0.0023923 k( 136) = ( -0.1989418 0.3501652 0.4027325), wk = 0.0023923 k( 137) = ( -0.1935650 0.3407013 0.3918479), wk = 0.0023923 k( 138) = ( -0.1881881 0.3312374 0.3809632), wk = 0.0023923 k( 139) = ( -0.1828114 0.3217734 0.3700786), wk = 0.0023923 k( 140) = ( -0.1774345 0.3123095 0.3591939), wk = 0.0023923 k( 141) = ( -0.1720577 0.3028456 0.3483092), wk = 0.0023923 k( 142) = ( -0.1666809 0.2933817 0.3374246), wk = 0.0023923 k( 143) = ( -0.1613041 0.2839177 0.3265399), wk = 0.0023923 k( 144) = ( -0.1559273 0.2744538 0.3156552), wk = 0.0023923 k( 145) = ( -0.1505505 0.2649899 0.3047706), wk = 0.0023923 k( 146) = ( -0.1451737 0.2555260 0.2938859), wk = 0.0023923 k( 147) = ( -0.1397969 0.2460620 0.2830012), wk = 0.0023923 k( 148) = ( -0.1344201 0.2365981 0.2721166), wk = 0.0023923 k( 149) = ( -0.1290433 0.2271342 0.2612319), wk = 0.0023923 k( 150) = ( -0.1236665 0.2176703 0.2503473), wk = 0.0023923 k( 151) = ( -0.1182897 0.2082063 0.2394626), wk = 0.0023923 k( 152) = ( -0.1129129 0.1987424 0.2285779), wk = 0.0023923 k( 153) = ( -0.1075361 0.1892785 0.2176933), wk = 0.0023923 k( 154) = ( -0.1021593 0.1798146 0.2068086), wk = 0.0023923 k( 155) = ( -0.0967825 0.1703506 0.1959239), wk = 0.0023923 k( 156) = ( -0.0914057 0.1608867 0.1850393), wk = 0.0023923 k( 157) = ( -0.0860289 0.1514228 0.1741546), wk = 0.0023923 k( 158) = ( -0.0806521 0.1419589 0.1632700), wk = 0.0023923 k( 159) = ( -0.0752753 0.1324949 0.1523853), wk = 0.0023923 k( 160) = ( -0.0698985 0.1230310 0.1415006), wk = 0.0023923 k( 161) = ( -0.0645216 0.1135671 0.1306160), wk = 0.0023923 k( 162) = ( -0.0591448 0.1041032 0.1197313), wk = 0.0023923 k( 163) = ( -0.0537680 0.0946392 0.1088466), wk = 0.0023923 k( 164) = ( -0.0483912 0.0851753 0.0979620), wk = 0.0023923 k( 165) = ( -0.0430144 0.0757114 0.0870773), wk = 0.0023923 k( 166) = ( -0.0376376 0.0662475 0.0761926), wk = 0.0023923 k( 167) = ( -0.0322608 0.0567836 0.0653080), wk = 0.0023923 k( 168) = ( -0.0268840 0.0473196 0.0544233), wk = 0.0023923 k( 169) = ( -0.0215072 0.0378557 0.0435387), wk = 0.0023923 k( 170) = ( -0.0161304 0.0283918 0.0326540), wk = 0.0023923 k( 171) = ( -0.0107536 0.0189279 0.0217693), wk = 0.0023923 k( 172) = ( -0.0053768 0.0094639 0.0108847), wk = 0.0023923 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 175) = ( 0.0135135 0.0076775 0.0000000), wk = 0.0023923 k( 176) = ( 0.0270270 0.0153551 0.0000000), wk = 0.0023923 k( 177) = ( 0.0405405 0.0230326 0.0000000), wk = 0.0023923 k( 178) = ( 0.0540540 0.0307101 -0.0000000), wk = 0.0023923 k( 179) = ( 0.0675676 0.0383876 -0.0000000), wk = 0.0023923 k( 180) = ( 0.0810811 0.0460652 0.0000000), wk = 0.0023923 k( 181) = ( 0.0945946 0.0537427 0.0000000), wk = 0.0023923 k( 182) = ( 0.1081081 0.0614202 -0.0000000), wk = 0.0023923 k( 183) = ( 0.1216216 0.0690977 0.0000000), wk = 0.0023923 k( 184) = ( 0.1351351 0.0767753 -0.0000000), wk = 0.0023923 k( 185) = ( 0.1486486 0.0844528 0.0000000), wk = 0.0023923 k( 186) = ( 0.1621622 0.0921303 0.0000000), wk = 0.0023923 k( 187) = ( 0.1756757 0.0998078 0.0000000), wk = 0.0023923 k( 188) = ( 0.1891892 0.1074854 0.0000000), wk = 0.0023923 k( 189) = ( 0.2027027 0.1151629 -0.0000000), wk = 0.0023923 k( 190) = ( 0.2162162 0.1228404 -0.0000000), wk = 0.0023923 k( 191) = ( 0.2297297 0.1305179 -0.0000000), wk = 0.0023923 k( 192) = ( 0.2432432 0.1381955 0.0000000), wk = 0.0023923 k( 193) = ( 0.2567568 0.1458730 -0.0000000), wk = 0.0023923 k( 194) = ( 0.2702703 0.1535505 0.0000000), wk = 0.0023923 k( 195) = ( 0.2837838 0.1612280 0.0000000), wk = 0.0023923 k( 196) = ( 0.2972973 0.1689056 0.0000000), wk = 0.0023923 k( 197) = ( 0.3108108 0.1765831 0.0000000), wk = 0.0023923 k( 198) = ( 0.3243243 0.1842606 0.0000000), wk = 0.0023923 k( 199) = ( 0.3378378 0.1919381 0.0000000), wk = 0.0023923 k( 200) = ( 0.3513514 0.1996157 0.0000000), wk = 0.0023923 k( 201) = ( 0.3648649 0.2072932 -0.0000000), wk = 0.0023923 k( 202) = ( 0.3783784 0.2149707 0.0000000), wk = 0.0023923 k( 203) = ( 0.3918919 0.2226482 -0.0000000), wk = 0.0023923 k( 204) = ( 0.4054054 0.2303258 0.0000000), wk = 0.0023923 k( 205) = ( 0.4189189 0.2380033 -0.0000000), wk = 0.0023923 k( 206) = ( 0.4324324 0.2456808 -0.0000000), wk = 0.0023923 k( 207) = ( 0.4459459 0.2533583 -0.0000000), wk = 0.0023923 k( 208) = ( 0.4594595 0.2610359 -0.0000000), wk = 0.0023923 k( 209) = ( 0.4729730 0.2687134 -0.0000000), wk = 0.0023923 k( 210) = ( 0.4864865 0.2763909 -0.0000000), wk = 0.0023923 k( 211) = ( 0.5000000 0.2840684 0.0000000), wk = 0.0023923 k( 212) = ( 0.5000000 0.2840684 0.0000000), wk = 0.0023923 k( 213) = ( 0.4946243 0.2935304 0.0108824), wk = 0.0023923 k( 214) = ( 0.4892486 0.3029924 0.0217649), wk = 0.0023923 k( 215) = ( 0.4838729 0.3124544 0.0326473), wk = 0.0023923 k( 216) = ( 0.4784972 0.3219164 0.0435298), wk = 0.0023923 k( 217) = ( 0.4731215 0.3313784 0.0544122), wk = 0.0023923 k( 218) = ( 0.4677458 0.3408404 0.0652946), wk = 0.0023923 k( 219) = ( 0.4623700 0.3503024 0.0761771), wk = 0.0023923 k( 220) = ( 0.4569943 0.3597644 0.0870595), wk = 0.0023923 k( 221) = ( 0.4516186 0.3692264 0.0979420), wk = 0.0023923 k( 222) = ( 0.4462429 0.3786884 0.1088244), wk = 0.0023923 k( 223) = ( 0.4408672 0.3881503 0.1197068), wk = 0.0023923 k( 224) = ( 0.4354915 0.3976123 0.1305893), wk = 0.0023923 k( 225) = ( 0.4301158 0.4070743 0.1414717), wk = 0.0023923 k( 226) = ( 0.4247401 0.4165363 0.1523542), wk = 0.0023923 k( 227) = ( 0.4193644 0.4259983 0.1632366), wk = 0.0023923 k( 228) = ( 0.4139887 0.4354603 0.1741191), wk = 0.0023923 k( 229) = ( 0.4086130 0.4449223 0.1850015), wk = 0.0023923 k( 230) = ( 0.4032373 0.4543843 0.1958839), wk = 0.0023923 k( 231) = ( 0.3978616 0.4638463 0.2067664), wk = 0.0023923 k( 232) = ( 0.3924859 0.4733083 0.2176488), wk = 0.0023923 k( 233) = ( 0.3871102 0.4827703 0.2285313), wk = 0.0023923 k( 234) = ( 0.3817345 0.4922323 0.2394137), wk = 0.0023923 k( 235) = ( 0.3763587 0.5016943 0.2502962), wk = 0.0023923 k( 236) = ( 0.3709830 0.5111562 0.2611786), wk = 0.0023923 k( 237) = ( 0.3656073 0.5206182 0.2720610), wk = 0.0023923 k( 238) = ( 0.3602316 0.5300802 0.2829435), wk = 0.0023923 k( 239) = ( 0.3548559 0.5395422 0.2938259), wk = 0.0023923 k( 240) = ( 0.3494802 0.5490042 0.3047084), wk = 0.0023923 k( 241) = ( 0.3441045 0.5584662 0.3155908), wk = 0.0023923 k( 242) = ( 0.3387288 0.5679282 0.3264732), wk = 0.0023923 k( 243) = ( 0.3333531 0.5773902 0.3373557), wk = 0.0023923 k( 244) = ( 0.3279774 0.5868522 0.3482381), wk = 0.0023923 k( 245) = ( 0.3226017 0.5963142 0.3591206), wk = 0.0023923 k( 246) = ( 0.3172260 0.6057762 0.3700030), wk = 0.0023923 k( 247) = ( 0.3118503 0.6152382 0.3808854), wk = 0.0023923 k( 248) = ( 0.3064746 0.6247002 0.3917679), wk = 0.0023923 k( 249) = ( 0.3010988 0.6341622 0.4026503), wk = 0.0023923 k( 250) = ( 0.2957231 0.6436242 0.4135328), wk = 0.0023923 k( 251) = ( 0.2903474 0.6530861 0.4244152), wk = 0.0023923 k( 252) = ( 0.2903474 0.6530861 0.4244152), wk = 0.0023923 k( 253) = ( 0.2758301 0.6495353 0.4284991), wk = 0.0023923 k( 254) = ( 0.2613127 0.6459844 0.4325830), wk = 0.0023923 k( 255) = ( 0.2467953 0.6424336 0.4366670), wk = 0.0023923 k( 256) = ( 0.2322780 0.6388827 0.4407509), wk = 0.0023923 k( 257) = ( 0.2177606 0.6353319 0.4448348), wk = 0.0023923 k( 258) = ( 0.2032432 0.6317810 0.4489187), wk = 0.0023923 k( 259) = ( 0.1887258 0.6282302 0.4530026), wk = 0.0023923 k( 260) = ( 0.1742085 0.6246793 0.4570865), wk = 0.0023923 k( 261) = ( 0.1596911 0.6211284 0.4611704), wk = 0.0023923 k( 262) = ( 0.1451737 0.6175776 0.4652544), wk = 0.0023923 k( 263) = ( 0.1306564 0.6140267 0.4693383), wk = 0.0023923 k( 264) = ( 0.1161390 0.6104759 0.4734222), wk = 0.0023923 k( 265) = ( 0.1016216 0.6069250 0.4775061), wk = 0.0023923 k( 266) = ( 0.0871042 0.6033742 0.4815900), wk = 0.0023923 k( 267) = ( 0.0725869 0.5998233 0.4856739), wk = 0.0023923 k( 268) = ( 0.0580695 0.5962724 0.4897578), wk = 0.0023923 k( 269) = ( 0.0435521 0.5927216 0.4938418), wk = 0.0023923 k( 270) = ( 0.0290347 0.5891708 0.4979257), wk = 0.0023923 k( 271) = ( 0.0145174 0.5856199 0.5020096), wk = 0.0023923 k( 272) = ( 0.0000000 0.5820690 0.5060935), wk = 0.0023923 k( 273) = ( 0.0000000 0.5820690 0.5060935), wk = 0.0023923 k( 274) = ( 0.0054348 0.5725031 0.5170955), wk = 0.0023923 k( 275) = ( 0.0108696 0.5629371 0.5280976), wk = 0.0023923 k( 276) = ( 0.0163043 0.5533711 0.5390996), wk = 0.0023923 k( 277) = ( 0.0217391 0.5438051 0.5501016), wk = 0.0023923 k( 278) = ( 0.0271739 0.5342392 0.5611037), wk = 0.0023923 k( 279) = ( 0.0326087 0.5246732 0.5721057), wk = 0.0023923 k( 280) = ( 0.0380435 0.5151072 0.5831077), wk = 0.0023923 k( 281) = ( 0.0434783 0.5055412 0.5941098), wk = 0.0023923 k( 282) = ( 0.0489130 0.4959753 0.6051118), wk = 0.0023923 k( 283) = ( 0.0543478 0.4864093 0.6161138), wk = 0.0023923 k( 284) = ( 0.0597826 0.4768433 0.6271159), wk = 0.0023923 k( 285) = ( 0.0652174 0.4672773 0.6381179), wk = 0.0023923 k( 286) = ( 0.0706522 0.4577114 0.6491199), wk = 0.0023923 k( 287) = ( 0.0760870 0.4481454 0.6601220), wk = 0.0023923 k( 288) = ( 0.0815217 0.4385794 0.6711240), wk = 0.0023923 k( 289) = ( 0.0869565 0.4290134 0.6821260), wk = 0.0023923 k( 290) = ( 0.0923913 0.4194475 0.6931281), wk = 0.0023923 k( 291) = ( 0.0978261 0.4098815 0.7041301), wk = 0.0023923 k( 292) = ( 0.1032609 0.4003155 0.7151321), wk = 0.0023923 k( 293) = ( 0.1086957 0.3907496 0.7261342), wk = 0.0023923 k( 294) = ( 0.1141304 0.3811836 0.7371362), wk = 0.0023923 k( 295) = ( 0.1195652 0.3716176 0.7481382), wk = 0.0023923 k( 296) = ( 0.1250000 0.3620516 0.7591403), wk = 0.0023923 k( 297) = ( 0.1304348 0.3524857 0.7701423), wk = 0.0023923 k( 298) = ( 0.1358696 0.3429197 0.7811443), wk = 0.0023923 k( 299) = ( 0.1413043 0.3333537 0.7921464), wk = 0.0023923 k( 300) = ( 0.1467391 0.3237877 0.8031484), wk = 0.0023923 k( 301) = ( 0.1521739 0.3142218 0.8141504), wk = 0.0023923 k( 302) = ( 0.1576087 0.3046558 0.8251525), wk = 0.0023923 k( 303) = ( 0.1630435 0.2950898 0.8361545), wk = 0.0023923 k( 304) = ( 0.1684783 0.2855238 0.8471565), wk = 0.0023923 k( 305) = ( 0.1739130 0.2759579 0.8581586), wk = 0.0023923 k( 306) = ( 0.1793478 0.2663919 0.8691606), wk = 0.0023923 k( 307) = ( 0.1847826 0.2568259 0.8801626), wk = 0.0023923 k( 308) = ( 0.1902174 0.2472599 0.8911647), wk = 0.0023923 k( 309) = ( 0.1956522 0.2376940 0.9021667), wk = 0.0023923 k( 310) = ( 0.2010870 0.2281280 0.9131687), wk = 0.0023923 k( 311) = ( 0.2065217 0.2185620 0.9241708), wk = 0.0023923 k( 312) = ( 0.2119565 0.2089960 0.9351728), wk = 0.0023923 k( 313) = ( 0.2173913 0.1994301 0.9461748), wk = 0.0023923 k( 314) = ( 0.2228261 0.1898641 0.9571769), wk = 0.0023923 k( 315) = ( 0.2282609 0.1802981 0.9681789), wk = 0.0023923 k( 316) = ( 0.2336957 0.1707321 0.9791809), wk = 0.0023923 k( 317) = ( 0.2391304 0.1611662 0.9901829), wk = 0.0023923 k( 318) = ( 0.2445652 0.1516002 1.0011850), wk = 0.0023923 k( 319) = ( 0.2500000 0.1420342 1.0121870), wk = 0.0023923 k( 320) = ( 0.2500000 0.1420342 1.0121870), wk = 0.0023923 k( 321) = ( 0.2613636 0.1484903 1.0047617), wk = 0.0023923 k( 322) = ( 0.2727273 0.1549464 0.9973364), wk = 0.0023923 k( 323) = ( 0.2840909 0.1614025 0.9899111), wk = 0.0023923 k( 324) = ( 0.2954545 0.1678586 0.9824858), wk = 0.0023923 k( 325) = ( 0.3068182 0.1743147 0.9750605), wk = 0.0023923 k( 326) = ( 0.3181818 0.1807708 0.9676352), wk = 0.0023923 k( 327) = ( 0.3295455 0.1872269 0.9602099), wk = 0.0023923 k( 328) = ( 0.3409091 0.1936830 0.9527846), wk = 0.0023923 k( 329) = ( 0.3522727 0.2001391 0.9453593), wk = 0.0023923 k( 330) = ( 0.3636364 0.2065952 0.9379340), wk = 0.0023923 k( 331) = ( 0.3750000 0.2130513 0.9305087), wk = 0.0023923 k( 332) = ( 0.3863636 0.2195074 0.9230834), wk = 0.0023923 k( 333) = ( 0.3977273 0.2259635 0.9156581), wk = 0.0023923 k( 334) = ( 0.4090909 0.2324196 0.9082328), wk = 0.0023923 k( 335) = ( 0.4204545 0.2388757 0.9008075), wk = 0.0023923 k( 336) = ( 0.4318182 0.2453318 0.8933822), wk = 0.0023923 k( 337) = ( 0.4431818 0.2517879 0.8859569), wk = 0.0023923 k( 338) = ( 0.4545455 0.2582440 0.8785316), wk = 0.0023923 k( 339) = ( 0.4659091 0.2647001 0.8711063), wk = 0.0023923 k( 340) = ( 0.4772727 0.2711562 0.8636810), wk = 0.0023923 k( 341) = ( 0.4886364 0.2776123 0.8562557), wk = 0.0023923 k( 342) = ( 0.5000000 0.2840684 0.8488304), wk = 0.0023923 k( 343) = ( 0.5000000 0.2840684 0.8488304), wk = 0.0023923 k( 344) = ( 0.5000000 0.2840684 0.8333971), wk = 0.0023923 k( 345) = ( 0.5000000 0.2840684 0.8179639), wk = 0.0023923 k( 346) = ( 0.5000000 0.2840684 0.8025306), wk = 0.0023923 k( 347) = ( 0.5000000 0.2840684 0.7870973), wk = 0.0023923 k( 348) = ( 0.5000000 0.2840684 0.7716640), wk = 0.0023923 k( 349) = ( 0.5000000 0.2840684 0.7562307), wk = 0.0023923 k( 350) = ( 0.5000000 0.2840684 0.7407975), wk = 0.0023923 k( 351) = ( 0.5000000 0.2840684 0.7253642), wk = 0.0023923 k( 352) = ( 0.5000000 0.2840684 0.7099309), wk = 0.0023923 k( 353) = ( 0.5000000 0.2840684 0.6944976), wk = 0.0023923 k( 354) = ( 0.5000000 0.2840684 0.6790643), wk = 0.0023923 k( 355) = ( 0.5000000 0.2840684 0.6636310), wk = 0.0023923 k( 356) = ( 0.5000000 0.2840684 0.6481978), wk = 0.0023923 k( 357) = ( 0.5000000 0.2840684 0.6327645), wk = 0.0023923 k( 358) = ( 0.5000000 0.2840684 0.6173312), wk = 0.0023923 k( 359) = ( 0.5000000 0.2840684 0.6018979), wk = 0.0023923 k( 360) = ( 0.5000000 0.2840684 0.5864646), wk = 0.0023923 k( 361) = ( 0.5000000 0.2840684 0.5710314), wk = 0.0023923 k( 362) = ( 0.5000000 0.2840684 0.5555981), wk = 0.0023923 k( 363) = ( 0.5000000 0.2840684 0.5401648), wk = 0.0023923 k( 364) = ( 0.5000000 0.2840684 0.5247315), wk = 0.0023923 k( 365) = ( 0.5000000 0.2840684 0.5092983), wk = 0.0023923 k( 366) = ( 0.5000000 0.2840684 0.4938650), wk = 0.0023923 k( 367) = ( 0.5000000 0.2840684 0.4784317), wk = 0.0023923 k( 368) = ( 0.5000000 0.2840684 0.4629984), wk = 0.0023923 k( 369) = ( 0.5000000 0.2840684 0.4475651), wk = 0.0023923 k( 370) = ( 0.5000000 0.2840684 0.4321319), wk = 0.0023923 k( 371) = ( 0.5000000 0.2840684 0.4166986), wk = 0.0023923 k( 372) = ( 0.5000000 0.2840684 0.4012653), wk = 0.0023923 k( 373) = ( 0.5000000 0.2840684 0.3858320), wk = 0.0023923 k( 374) = ( 0.5000000 0.2840684 0.3703987), wk = 0.0023923 k( 375) = ( 0.5000000 0.2840684 0.3549654), wk = 0.0023923 k( 376) = ( 0.5000000 0.2840684 0.3395322), wk = 0.0023923 k( 377) = ( 0.5000000 0.2840684 0.3240989), wk = 0.0023923 k( 378) = ( 0.5000000 0.2840684 0.3086656), wk = 0.0023923 k( 379) = ( 0.5000000 0.2840684 0.2932323), wk = 0.0023923 k( 380) = ( 0.5000000 0.2840684 0.2777990), wk = 0.0023923 k( 381) = ( 0.5000000 0.2840684 0.2623658), wk = 0.0023923 k( 382) = ( 0.5000000 0.2840684 0.2469325), wk = 0.0023923 k( 383) = ( 0.5000000 0.2840684 0.2314992), wk = 0.0023923 k( 384) = ( 0.5000000 0.2840684 0.2160659), wk = 0.0023923 k( 385) = ( 0.5000000 0.2840684 0.2006326), wk = 0.0023923 k( 386) = ( 0.5000000 0.2840684 0.1851994), wk = 0.0023923 k( 387) = ( 0.5000000 0.2840684 0.1697661), wk = 0.0023923 k( 388) = ( 0.5000000 0.2840684 0.1543328), wk = 0.0023923 k( 389) = ( 0.5000000 0.2840684 0.1388995), wk = 0.0023923 k( 390) = ( 0.5000000 0.2840684 0.1234662), wk = 0.0023923 k( 391) = ( 0.5000000 0.2840684 0.1080330), wk = 0.0023923 k( 392) = ( 0.5000000 0.2840684 0.0925997), wk = 0.0023923 k( 393) = ( 0.5000000 0.2840684 0.0771664), wk = 0.0023923 k( 394) = ( 0.5000000 0.2840684 0.0617331), wk = 0.0023923 k( 395) = ( 0.5000000 0.2840684 0.0462998), wk = 0.0023923 k( 396) = ( 0.5000000 0.2840684 0.0308666), wk = 0.0023923 k( 397) = ( 0.5000000 0.2840684 0.0154333), wk = 0.0023923 k( 398) = ( 0.5000000 0.2840684 0.0000000), wk = 0.0023923 k( 399) = ( 0.0000000 0.0000000 1.0121870), wk = 0.0023923 k( 400) = ( 0.0131579 0.0074755 1.0121870), wk = 0.0023923 k( 401) = ( 0.0263158 0.0149510 1.0121870), wk = 0.0023923 k( 402) = ( 0.0394737 0.0224265 1.0121870), wk = 0.0023923 k( 403) = ( 0.0526316 0.0299019 1.0121870), wk = 0.0023923 k( 404) = ( 0.0657895 0.0373774 1.0121870), wk = 0.0023923 k( 405) = ( 0.0789474 0.0448529 1.0121870), wk = 0.0023923 k( 406) = ( 0.0921053 0.0523284 1.0121870), wk = 0.0023923 k( 407) = ( 0.1052632 0.0598039 1.0121870), wk = 0.0023923 k( 408) = ( 0.1184210 0.0672794 1.0121870), wk = 0.0023923 k( 409) = ( 0.1315790 0.0747549 1.0121870), wk = 0.0023923 k( 410) = ( 0.1447368 0.0822303 1.0121870), wk = 0.0023923 k( 411) = ( 0.1578947 0.0897058 1.0121870), wk = 0.0023923 k( 412) = ( 0.1710526 0.0971813 1.0121870), wk = 0.0023923 k( 413) = ( 0.1842105 0.1046568 1.0121870), wk = 0.0023923 k( 414) = ( 0.1973684 0.1121323 1.0121870), wk = 0.0023923 k( 415) = ( 0.2105263 0.1196078 1.0121870), wk = 0.0023923 k( 416) = ( 0.2236842 0.1270832 1.0121870), wk = 0.0023923 k( 417) = ( 0.2368421 0.1345587 1.0121870), wk = 0.0023923 k( 418) = ( 0.2500000 0.1420342 1.0121870), wk = 0.0023923 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 2) = ( 0.0000000 0.0000000 0.0076923), wk = 0.0023923 k( 3) = ( 0.0000000 0.0000000 0.0153846), wk = 0.0023923 k( 4) = ( 0.0000000 0.0000000 0.0230769), wk = 0.0023923 k( 5) = ( 0.0000000 0.0000000 0.0307692), wk = 0.0023923 k( 6) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0023923 k( 7) = ( 0.0000000 0.0000000 0.0461539), wk = 0.0023923 k( 8) = ( 0.0000000 0.0000000 0.0538462), wk = 0.0023923 k( 9) = ( 0.0000000 0.0000000 0.0615385), wk = 0.0023923 k( 10) = ( 0.0000000 0.0000000 0.0692308), wk = 0.0023923 k( 11) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0023923 k( 12) = ( 0.0000000 0.0000000 0.0846154), wk = 0.0023923 k( 13) = ( 0.0000000 0.0000000 0.0923077), wk = 0.0023923 k( 14) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023923 k( 15) = ( 0.0000000 0.0000000 0.1076923), wk = 0.0023923 k( 16) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0023923 k( 17) = ( 0.0000000 0.0000000 0.1230769), wk = 0.0023923 k( 18) = ( 0.0000000 0.0000000 0.1307692), wk = 0.0023923 k( 19) = ( 0.0000000 0.0000000 0.1384615), wk = 0.0023923 k( 20) = ( 0.0000000 0.0000000 0.1461539), wk = 0.0023923 k( 21) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0023923 k( 22) = ( 0.0000000 0.0000000 0.1615385), wk = 0.0023923 k( 23) = ( 0.0000000 0.0000000 0.1692308), wk = 0.0023923 k( 24) = ( 0.0000000 0.0000000 0.1769231), wk = 0.0023923 k( 25) = ( 0.0000000 0.0000000 0.1846154), wk = 0.0023923 k( 26) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0023923 k( 27) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023923 k( 28) = ( 0.0000000 0.0000000 0.2076923), wk = 0.0023923 k( 29) = ( 0.0000000 0.0000000 0.2153846), wk = 0.0023923 k( 30) = ( 0.0000000 0.0000000 0.2230769), wk = 0.0023923 k( 31) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0023923 k( 32) = ( 0.0000000 0.0000000 0.2384615), wk = 0.0023923 k( 33) = ( 0.0000000 0.0000000 0.2461539), wk = 0.0023923 k( 34) = ( 0.0000000 0.0000000 0.2538461), wk = 0.0023923 k( 35) = ( 0.0000000 0.0000000 0.2615385), wk = 0.0023923 k( 36) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0023923 k( 37) = ( 0.0000000 0.0000000 0.2769231), wk = 0.0023923 k( 38) = ( 0.0000000 0.0000000 0.2846154), wk = 0.0023923 k( 39) = ( 0.0000000 0.0000000 0.2923077), wk = 0.0023923 k( 40) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023923 k( 41) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0023923 k( 42) = ( 0.0000000 0.0000000 0.3153846), wk = 0.0023923 k( 43) = ( 0.0000000 0.0000000 0.3230769), wk = 0.0023923 k( 44) = ( 0.0000000 0.0000000 0.3307692), wk = 0.0023923 k( 45) = ( 0.0000000 0.0000000 0.3384615), wk = 0.0023923 k( 46) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0023923 k( 47) = ( 0.0000000 0.0000000 0.3538462), wk = 0.0023923 k( 48) = ( 0.0000000 0.0000000 0.3615385), wk = 0.0023923 k( 49) = ( 0.0000000 0.0000000 0.3692308), wk = 0.0023923 k( 50) = ( 0.0000000 0.0000000 0.3769231), wk = 0.0023923 k( 51) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0023923 k( 52) = ( 0.0000000 0.0000000 0.3923077), wk = 0.0023923 k( 53) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023923 k( 54) = ( 0.0000000 0.0000000 0.4076923), wk = 0.0023923 k( 55) = ( 0.0000000 0.0000000 0.4153846), wk = 0.0023923 k( 56) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0023923 k( 57) = ( 0.0000000 0.0000000 0.4307692), wk = 0.0023923 k( 58) = ( 0.0000000 0.0000000 0.4384615), wk = 0.0023923 k( 59) = ( 0.0000000 0.0000000 0.4461539), wk = 0.0023923 k( 60) = ( 0.0000000 0.0000000 0.4538462), wk = 0.0023923 k( 61) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0023923 k( 62) = ( 0.0000000 0.0000000 0.4692308), wk = 0.0023923 k( 63) = ( 0.0000000 0.0000000 0.4769231), wk = 0.0023923 k( 64) = ( 0.0000000 0.0000000 0.4846154), wk = 0.0023923 k( 65) = ( 0.0000000 0.0000000 0.4923077), wk = 0.0023923 k( 66) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023923 k( 67) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023923 k( 68) = ( -0.0073359 0.0073359 0.5000000), wk = 0.0023923 k( 69) = ( -0.0146718 0.0146718 0.5000000), wk = 0.0023923 k( 70) = ( -0.0220077 0.0220077 0.5000000), wk = 0.0023923 k( 71) = ( -0.0293436 0.0293436 0.5000000), wk = 0.0023923 k( 72) = ( -0.0366795 0.0366795 0.5000000), wk = 0.0023923 k( 73) = ( -0.0440154 0.0440154 0.5000000), wk = 0.0023923 k( 74) = ( -0.0513513 0.0513513 0.5000000), wk = 0.0023923 k( 75) = ( -0.0586872 0.0586872 0.5000000), wk = 0.0023923 k( 76) = ( -0.0660231 0.0660231 0.5000000), wk = 0.0023923 k( 77) = ( -0.0733590 0.0733590 0.5000000), wk = 0.0023923 k( 78) = ( -0.0806949 0.0806949 0.5000000), wk = 0.0023923 k( 79) = ( -0.0806949 0.0806949 0.5000000), wk = 0.0023923 k( 80) = ( -0.0860706 0.0860706 0.4946243), wk = 0.0023923 k( 81) = ( -0.0914463 0.0914463 0.4892486), wk = 0.0023923 k( 82) = ( -0.0968220 0.0968220 0.4838729), wk = 0.0023923 k( 83) = ( -0.1021977 0.1021977 0.4784972), wk = 0.0023923 k( 84) = ( -0.1075734 0.1075734 0.4731215), wk = 0.0023923 k( 85) = ( -0.1129491 0.1129491 0.4677458), wk = 0.0023923 k( 86) = ( -0.1183248 0.1183248 0.4623700), wk = 0.0023923 k( 87) = ( -0.1237005 0.1237005 0.4569943), wk = 0.0023923 k( 88) = ( -0.1290762 0.1290762 0.4516186), wk = 0.0023923 k( 89) = ( -0.1344519 0.1344519 0.4462429), wk = 0.0023923 k( 90) = ( -0.1398276 0.1398276 0.4408672), wk = 0.0023923 k( 91) = ( -0.1452034 0.1452033 0.4354915), wk = 0.0023923 k( 92) = ( -0.1505791 0.1505791 0.4301158), wk = 0.0023923 k( 93) = ( -0.1559548 0.1559548 0.4247401), wk = 0.0023923 k( 94) = ( -0.1613305 0.1613305 0.4193644), wk = 0.0023923 k( 95) = ( -0.1667062 0.1667062 0.4139887), wk = 0.0023923 k( 96) = ( -0.1720819 0.1720819 0.4086130), wk = 0.0023923 k( 97) = ( -0.1774576 0.1774576 0.4032373), wk = 0.0023923 k( 98) = ( -0.1828333 0.1828333 0.3978616), wk = 0.0023923 k( 99) = ( -0.1882090 0.1882090 0.3924859), wk = 0.0023923 k( 100) = ( -0.1935847 0.1935847 0.3871102), wk = 0.0023923 k( 101) = ( -0.1989604 0.1989604 0.3817345), wk = 0.0023923 k( 102) = ( -0.2043361 0.2043361 0.3763587), wk = 0.0023923 k( 103) = ( -0.2097118 0.2097118 0.3709830), wk = 0.0023923 k( 104) = ( -0.2150875 0.2150875 0.3656073), wk = 0.0023923 k( 105) = ( -0.2204632 0.2204632 0.3602316), wk = 0.0023923 k( 106) = ( -0.2258390 0.2258390 0.3548559), wk = 0.0023923 k( 107) = ( -0.2312147 0.2312147 0.3494802), wk = 0.0023923 k( 108) = ( -0.2365904 0.2365904 0.3441045), wk = 0.0023923 k( 109) = ( -0.2419661 0.2419661 0.3387288), wk = 0.0023923 k( 110) = ( -0.2473418 0.2473418 0.3333531), wk = 0.0023923 k( 111) = ( -0.2527175 0.2527175 0.3279774), wk = 0.0023923 k( 112) = ( -0.2580932 0.2580932 0.3226017), wk = 0.0023923 k( 113) = ( -0.2634689 0.2634689 0.3172260), wk = 0.0023923 k( 114) = ( -0.2688446 0.2688446 0.3118503), wk = 0.0023923 k( 115) = ( -0.2742203 0.2742203 0.3064746), wk = 0.0023923 k( 116) = ( -0.2795960 0.2795960 0.3010988), wk = 0.0023923 k( 117) = ( -0.2849717 0.2849717 0.2957231), wk = 0.0023923 k( 118) = ( -0.2903474 0.2903474 0.2903474), wk = 0.0023923 k( 119) = ( -0.2903474 0.2903474 0.2903474), wk = 0.0023923 k( 120) = ( -0.2849706 0.2849706 0.2849706), wk = 0.0023923 k( 121) = ( -0.2795938 0.2795938 0.2795938), wk = 0.0023923 k( 122) = ( -0.2742170 0.2742170 0.2742170), wk = 0.0023923 k( 123) = ( -0.2688402 0.2688402 0.2688402), wk = 0.0023923 k( 124) = ( -0.2634634 0.2634634 0.2634634), wk = 0.0023923 k( 125) = ( -0.2580866 0.2580866 0.2580866), wk = 0.0023923 k( 126) = ( -0.2527098 0.2527098 0.2527098), wk = 0.0023923 k( 127) = ( -0.2473330 0.2473330 0.2473330), wk = 0.0023923 k( 128) = ( -0.2419562 0.2419562 0.2419562), wk = 0.0023923 k( 129) = ( -0.2365794 0.2365794 0.2365794), wk = 0.0023923 k( 130) = ( -0.2312026 0.2312026 0.2312026), wk = 0.0023923 k( 131) = ( -0.2258258 0.2258258 0.2258258), wk = 0.0023923 k( 132) = ( -0.2204490 0.2204490 0.2204490), wk = 0.0023923 k( 133) = ( -0.2150722 0.2150722 0.2150722), wk = 0.0023923 k( 134) = ( -0.2096954 0.2096954 0.2096954), wk = 0.0023923 k( 135) = ( -0.2043186 0.2043186 0.2043186), wk = 0.0023923 k( 136) = ( -0.1989418 0.1989418 0.1989418), wk = 0.0023923 k( 137) = ( -0.1935650 0.1935650 0.1935650), wk = 0.0023923 k( 138) = ( -0.1881881 0.1881881 0.1881881), wk = 0.0023923 k( 139) = ( -0.1828114 0.1828114 0.1828113), wk = 0.0023923 k( 140) = ( -0.1774345 0.1774345 0.1774345), wk = 0.0023923 k( 141) = ( -0.1720577 0.1720577 0.1720577), wk = 0.0023923 k( 142) = ( -0.1666809 0.1666809 0.1666809), wk = 0.0023923 k( 143) = ( -0.1613041 0.1613041 0.1613041), wk = 0.0023923 k( 144) = ( -0.1559273 0.1559273 0.1559273), wk = 0.0023923 k( 145) = ( -0.1505505 0.1505505 0.1505505), wk = 0.0023923 k( 146) = ( -0.1451737 0.1451737 0.1451737), wk = 0.0023923 k( 147) = ( -0.1397969 0.1397969 0.1397969), wk = 0.0023923 k( 148) = ( -0.1344201 0.1344201 0.1344201), wk = 0.0023923 k( 149) = ( -0.1290433 0.1290433 0.1290433), wk = 0.0023923 k( 150) = ( -0.1236665 0.1236665 0.1236665), wk = 0.0023923 k( 151) = ( -0.1182897 0.1182897 0.1182897), wk = 0.0023923 k( 152) = ( -0.1129129 0.1129129 0.1129129), wk = 0.0023923 k( 153) = ( -0.1075361 0.1075361 0.1075361), wk = 0.0023923 k( 154) = ( -0.1021593 0.1021593 0.1021593), wk = 0.0023923 k( 155) = ( -0.0967825 0.0967825 0.0967825), wk = 0.0023923 k( 156) = ( -0.0914057 0.0914057 0.0914057), wk = 0.0023923 k( 157) = ( -0.0860289 0.0860289 0.0860289), wk = 0.0023923 k( 158) = ( -0.0806521 0.0806521 0.0806521), wk = 0.0023923 k( 159) = ( -0.0752753 0.0752753 0.0752753), wk = 0.0023923 k( 160) = ( -0.0698985 0.0698985 0.0698985), wk = 0.0023923 k( 161) = ( -0.0645216 0.0645216 0.0645216), wk = 0.0023923 k( 162) = ( -0.0591448 0.0591448 0.0591448), wk = 0.0023923 k( 163) = ( -0.0537680 0.0537680 0.0537680), wk = 0.0023923 k( 164) = ( -0.0483912 0.0483912 0.0483912), wk = 0.0023923 k( 165) = ( -0.0430144 0.0430144 0.0430144), wk = 0.0023923 k( 166) = ( -0.0376376 0.0376376 0.0376376), wk = 0.0023923 k( 167) = ( -0.0322608 0.0322608 0.0322608), wk = 0.0023923 k( 168) = ( -0.0268840 0.0268840 0.0268840), wk = 0.0023923 k( 169) = ( -0.0215072 0.0215072 0.0215072), wk = 0.0023923 k( 170) = ( -0.0161304 0.0161304 0.0161304), wk = 0.0023923 k( 171) = ( -0.0107536 0.0107536 0.0107536), wk = 0.0023923 k( 172) = ( -0.0053768 0.0053768 0.0053768), wk = 0.0023923 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 175) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0023923 k( 176) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0023923 k( 177) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0023923 k( 178) = ( 0.0540540 0.0540540 -0.0540540), wk = 0.0023923 k( 179) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0023923 k( 180) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0023923 k( 181) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0023923 k( 182) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0023923 k( 183) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0023923 k( 184) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0023923 k( 185) = ( 0.1486486 0.1486486 -0.1486486), wk = 0.0023923 k( 186) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0023923 k( 187) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0023923 k( 188) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0023923 k( 189) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0023923 k( 190) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0023923 k( 191) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0023923 k( 192) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0023923 k( 193) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0023923 k( 194) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0023923 k( 195) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0023923 k( 196) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0023923 k( 197) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0023923 k( 198) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0023923 k( 199) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0023923 k( 200) = ( 0.3513514 0.3513513 -0.3513513), wk = 0.0023923 k( 201) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0023923 k( 202) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0023923 k( 203) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0023923 k( 204) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0023923 k( 205) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0023923 k( 206) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0023923 k( 207) = ( 0.4459459 0.4459459 -0.4459459), wk = 0.0023923 k( 208) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0023923 k( 209) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0023923 k( 210) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0023923 k( 211) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023923 k( 212) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023923 k( 213) = ( 0.4946243 0.5053757 -0.4946243), wk = 0.0023923 k( 214) = ( 0.4892486 0.5107514 -0.4892486), wk = 0.0023923 k( 215) = ( 0.4838729 0.5161271 -0.4838729), wk = 0.0023923 k( 216) = ( 0.4784972 0.5215028 -0.4784972), wk = 0.0023923 k( 217) = ( 0.4731215 0.5268785 -0.4731215), wk = 0.0023923 k( 218) = ( 0.4677458 0.5322542 -0.4677458), wk = 0.0023923 k( 219) = ( 0.4623700 0.5376299 -0.4623700), wk = 0.0023923 k( 220) = ( 0.4569943 0.5430057 -0.4569943), wk = 0.0023923 k( 221) = ( 0.4516186 0.5483814 -0.4516186), wk = 0.0023923 k( 222) = ( 0.4462429 0.5537571 -0.4462429), wk = 0.0023923 k( 223) = ( 0.4408672 0.5591328 -0.4408672), wk = 0.0023923 k( 224) = ( 0.4354915 0.5645085 -0.4354915), wk = 0.0023923 k( 225) = ( 0.4301158 0.5698842 -0.4301158), wk = 0.0023923 k( 226) = ( 0.4247401 0.5752599 -0.4247401), wk = 0.0023923 k( 227) = ( 0.4193644 0.5806356 -0.4193644), wk = 0.0023923 k( 228) = ( 0.4139887 0.5860113 -0.4139887), wk = 0.0023923 k( 229) = ( 0.4086130 0.5913870 -0.4086130), wk = 0.0023923 k( 230) = ( 0.4032373 0.5967627 -0.4032373), wk = 0.0023923 k( 231) = ( 0.3978616 0.6021384 -0.3978616), wk = 0.0023923 k( 232) = ( 0.3924859 0.6075141 -0.3924859), wk = 0.0023923 k( 233) = ( 0.3871102 0.6128898 -0.3871102), wk = 0.0023923 k( 234) = ( 0.3817345 0.6182655 -0.3817345), wk = 0.0023923 k( 235) = ( 0.3763587 0.6236413 -0.3763587), wk = 0.0023923 k( 236) = ( 0.3709830 0.6290170 -0.3709830), wk = 0.0023923 k( 237) = ( 0.3656073 0.6343927 -0.3656073), wk = 0.0023923 k( 238) = ( 0.3602316 0.6397684 -0.3602316), wk = 0.0023923 k( 239) = ( 0.3548559 0.6451441 -0.3548559), wk = 0.0023923 k( 240) = ( 0.3494802 0.6505198 -0.3494802), wk = 0.0023923 k( 241) = ( 0.3441045 0.6558955 -0.3441045), wk = 0.0023923 k( 242) = ( 0.3387288 0.6612712 -0.3387288), wk = 0.0023923 k( 243) = ( 0.3333531 0.6666469 -0.3333531), wk = 0.0023923 k( 244) = ( 0.3279774 0.6720226 -0.3279774), wk = 0.0023923 k( 245) = ( 0.3226017 0.6773983 -0.3226017), wk = 0.0023923 k( 246) = ( 0.3172260 0.6827740 -0.3172260), wk = 0.0023923 k( 247) = ( 0.3118503 0.6881497 -0.3118503), wk = 0.0023923 k( 248) = ( 0.3064746 0.6935254 -0.3064746), wk = 0.0023923 k( 249) = ( 0.3010988 0.6989011 -0.3010988), wk = 0.0023923 k( 250) = ( 0.2957231 0.7042769 -0.2957231), wk = 0.0023923 k( 251) = ( 0.2903474 0.7096526 -0.2903474), wk = 0.0023923 k( 252) = ( 0.2903474 0.7096526 -0.2903474), wk = 0.0023923 k( 253) = ( 0.2758301 0.6991699 -0.2758301), wk = 0.0023923 k( 254) = ( 0.2613127 0.6886873 -0.2613127), wk = 0.0023923 k( 255) = ( 0.2467953 0.6782047 -0.2467953), wk = 0.0023923 k( 256) = ( 0.2322780 0.6677220 -0.2322779), wk = 0.0023923 k( 257) = ( 0.2177606 0.6572394 -0.2177606), wk = 0.0023923 k( 258) = ( 0.2032432 0.6467568 -0.2032432), wk = 0.0023923 k( 259) = ( 0.1887258 0.6362742 -0.1887258), wk = 0.0023923 k( 260) = ( 0.1742085 0.6257915 -0.1742085), wk = 0.0023923 k( 261) = ( 0.1596911 0.6153089 -0.1596911), wk = 0.0023923 k( 262) = ( 0.1451737 0.6048263 -0.1451737), wk = 0.0023923 k( 263) = ( 0.1306564 0.5943437 -0.1306564), wk = 0.0023923 k( 264) = ( 0.1161390 0.5838610 -0.1161390), wk = 0.0023923 k( 265) = ( 0.1016216 0.5733784 -0.1016216), wk = 0.0023923 k( 266) = ( 0.0871042 0.5628958 -0.0871042), wk = 0.0023923 k( 267) = ( 0.0725869 0.5524131 -0.0725869), wk = 0.0023923 k( 268) = ( 0.0580695 0.5419305 -0.0580695), wk = 0.0023923 k( 269) = ( 0.0435521 0.5314479 -0.0435521), wk = 0.0023923 k( 270) = ( 0.0290347 0.5209653 -0.0290347), wk = 0.0023923 k( 271) = ( 0.0145174 0.5104826 -0.0145174), wk = 0.0023923 k( 272) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023923 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023923 k( 274) = ( 0.0054348 0.4945652 0.0054348), wk = 0.0023923 k( 275) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0023923 k( 276) = ( 0.0163043 0.4836956 0.0163044), wk = 0.0023923 k( 277) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0023923 k( 278) = ( 0.0271739 0.4728261 0.0271739), wk = 0.0023923 k( 279) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0023923 k( 280) = ( 0.0380435 0.4619565 0.0380435), wk = 0.0023923 k( 281) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0023923 k( 282) = ( 0.0489130 0.4510870 0.0489130), wk = 0.0023923 k( 283) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0023923 k( 284) = ( 0.0597826 0.4402174 0.0597826), wk = 0.0023923 k( 285) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0023923 k( 286) = ( 0.0706522 0.4293478 0.0706522), wk = 0.0023923 k( 287) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0023923 k( 288) = ( 0.0815217 0.4184783 0.0815217), wk = 0.0023923 k( 289) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0023923 k( 290) = ( 0.0923913 0.4076087 0.0923913), wk = 0.0023923 k( 291) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0023923 k( 292) = ( 0.1032609 0.3967391 0.1032609), wk = 0.0023923 k( 293) = ( 0.1086957 0.3913044 0.1086957), wk = 0.0023923 k( 294) = ( 0.1141304 0.3858696 0.1141304), wk = 0.0023923 k( 295) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0023923 k( 296) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0023923 k( 297) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0023923 k( 298) = ( 0.1358696 0.3641304 0.1358696), wk = 0.0023923 k( 299) = ( 0.1413043 0.3586956 0.1413043), wk = 0.0023923 k( 300) = ( 0.1467391 0.3532609 0.1467391), wk = 0.0023923 k( 301) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0023923 k( 302) = ( 0.1576087 0.3423913 0.1576087), wk = 0.0023923 k( 303) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0023923 k( 304) = ( 0.1684783 0.3315217 0.1684783), wk = 0.0023923 k( 305) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0023923 k( 306) = ( 0.1793478 0.3206522 0.1793478), wk = 0.0023923 k( 307) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0023923 k( 308) = ( 0.1902174 0.3097826 0.1902174), wk = 0.0023923 k( 309) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0023923 k( 310) = ( 0.2010870 0.2989130 0.2010870), wk = 0.0023923 k( 311) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0023923 k( 312) = ( 0.2119565 0.2880435 0.2119565), wk = 0.0023923 k( 313) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0023923 k( 314) = ( 0.2228261 0.2771739 0.2228261), wk = 0.0023923 k( 315) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0023923 k( 316) = ( 0.2336957 0.2663044 0.2336957), wk = 0.0023923 k( 317) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0023923 k( 318) = ( 0.2445652 0.2554348 0.2445652), wk = 0.0023923 k( 319) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023923 k( 320) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023923 k( 321) = ( 0.2613636 0.2613636 0.2349684), wk = 0.0023923 k( 322) = ( 0.2727273 0.2727273 0.2199368), wk = 0.0023923 k( 323) = ( 0.2840909 0.2840909 0.2049052), wk = 0.0023923 k( 324) = ( 0.2954545 0.2954545 0.1898737), wk = 0.0023923 k( 325) = ( 0.3068182 0.3068182 0.1748421), wk = 0.0023923 k( 326) = ( 0.3181818 0.3181818 0.1598105), wk = 0.0023923 k( 327) = ( 0.3295455 0.3295454 0.1447789), wk = 0.0023923 k( 328) = ( 0.3409091 0.3409091 0.1297473), wk = 0.0023923 k( 329) = ( 0.3522727 0.3522727 0.1147157), wk = 0.0023923 k( 330) = ( 0.3636364 0.3636364 0.0996842), wk = 0.0023923 k( 331) = ( 0.3750000 0.3750000 0.0846526), wk = 0.0023923 k( 332) = ( 0.3863636 0.3863636 0.0696210), wk = 0.0023923 k( 333) = ( 0.3977273 0.3977273 0.0545894), wk = 0.0023923 k( 334) = ( 0.4090909 0.4090909 0.0395578), wk = 0.0023923 k( 335) = ( 0.4204545 0.4204545 0.0245262), wk = 0.0023923 k( 336) = ( 0.4318182 0.4318182 0.0094946), wk = 0.0023923 k( 337) = ( 0.4431818 0.4431818 -0.0055369), wk = 0.0023923 k( 338) = ( 0.4545455 0.4545454 -0.0205685), wk = 0.0023923 k( 339) = ( 0.4659091 0.4659091 -0.0356001), wk = 0.0023923 k( 340) = ( 0.4772727 0.4772727 -0.0506317), wk = 0.0023923 k( 341) = ( 0.4886364 0.4886364 -0.0656633), wk = 0.0023923 k( 342) = ( 0.5000000 0.5000000 -0.0806949), wk = 0.0023923 k( 343) = ( 0.5000000 0.5000000 -0.0806949), wk = 0.0023923 k( 344) = ( 0.5000000 0.5000000 -0.0883186), wk = 0.0023923 k( 345) = ( 0.5000000 0.5000000 -0.0959423), wk = 0.0023923 k( 346) = ( 0.5000000 0.5000000 -0.1035661), wk = 0.0023923 k( 347) = ( 0.5000000 0.5000000 -0.1111898), wk = 0.0023923 k( 348) = ( 0.5000000 0.5000000 -0.1188135), wk = 0.0023923 k( 349) = ( 0.5000000 0.5000000 -0.1264372), wk = 0.0023923 k( 350) = ( 0.5000000 0.5000000 -0.1340610), wk = 0.0023923 k( 351) = ( 0.5000000 0.5000000 -0.1416847), wk = 0.0023923 k( 352) = ( 0.5000000 0.5000000 -0.1493084), wk = 0.0023923 k( 353) = ( 0.5000000 0.5000000 -0.1569322), wk = 0.0023923 k( 354) = ( 0.5000000 0.5000000 -0.1645559), wk = 0.0023923 k( 355) = ( 0.5000000 0.5000000 -0.1721796), wk = 0.0023923 k( 356) = ( 0.5000000 0.5000000 -0.1798034), wk = 0.0023923 k( 357) = ( 0.5000000 0.5000000 -0.1874271), wk = 0.0023923 k( 358) = ( 0.5000000 0.5000000 -0.1950508), wk = 0.0023923 k( 359) = ( 0.5000000 0.5000000 -0.2026745), wk = 0.0023923 k( 360) = ( 0.5000000 0.5000000 -0.2102983), wk = 0.0023923 k( 361) = ( 0.5000000 0.5000000 -0.2179220), wk = 0.0023923 k( 362) = ( 0.5000000 0.5000000 -0.2255457), wk = 0.0023923 k( 363) = ( 0.5000000 0.5000000 -0.2331695), wk = 0.0023923 k( 364) = ( 0.5000000 0.5000000 -0.2407932), wk = 0.0023923 k( 365) = ( 0.5000000 0.5000000 -0.2484169), wk = 0.0023923 k( 366) = ( 0.5000000 0.5000000 -0.2560406), wk = 0.0023923 k( 367) = ( 0.5000000 0.5000000 -0.2636644), wk = 0.0023923 k( 368) = ( 0.5000000 0.5000000 -0.2712881), wk = 0.0023923 k( 369) = ( 0.5000000 0.5000000 -0.2789118), wk = 0.0023923 k( 370) = ( 0.5000000 0.5000000 -0.2865356), wk = 0.0023923 k( 371) = ( 0.5000000 0.5000000 -0.2941593), wk = 0.0023923 k( 372) = ( 0.5000000 0.5000000 -0.3017830), wk = 0.0023923 k( 373) = ( 0.5000000 0.5000000 -0.3094068), wk = 0.0023923 k( 374) = ( 0.5000000 0.5000000 -0.3170305), wk = 0.0023923 k( 375) = ( 0.5000000 0.5000000 -0.3246542), wk = 0.0023923 k( 376) = ( 0.5000000 0.5000000 -0.3322779), wk = 0.0023923 k( 377) = ( 0.5000000 0.5000000 -0.3399017), wk = 0.0023923 k( 378) = ( 0.5000000 0.5000000 -0.3475254), wk = 0.0023923 k( 379) = ( 0.5000000 0.5000000 -0.3551491), wk = 0.0023923 k( 380) = ( 0.5000000 0.5000000 -0.3627729), wk = 0.0023923 k( 381) = ( 0.5000000 0.5000000 -0.3703966), wk = 0.0023923 k( 382) = ( 0.5000000 0.5000000 -0.3780203), wk = 0.0023923 k( 383) = ( 0.5000000 0.5000000 -0.3856441), wk = 0.0023923 k( 384) = ( 0.5000000 0.5000000 -0.3932678), wk = 0.0023923 k( 385) = ( 0.5000000 0.5000000 -0.4008915), wk = 0.0023923 k( 386) = ( 0.5000000 0.5000000 -0.4085152), wk = 0.0023923 k( 387) = ( 0.5000000 0.5000000 -0.4161390), wk = 0.0023923 k( 388) = ( 0.5000000 0.5000000 -0.4237627), wk = 0.0023923 k( 389) = ( 0.5000000 0.5000000 -0.4313864), wk = 0.0023923 k( 390) = ( 0.5000000 0.5000000 -0.4390102), wk = 0.0023923 k( 391) = ( 0.5000000 0.5000000 -0.4466339), wk = 0.0023923 k( 392) = ( 0.5000000 0.5000000 -0.4542576), wk = 0.0023923 k( 393) = ( 0.5000000 0.5000000 -0.4618813), wk = 0.0023923 k( 394) = ( 0.5000000 0.5000000 -0.4695051), wk = 0.0023923 k( 395) = ( 0.5000000 0.5000000 -0.4771288), wk = 0.0023923 k( 396) = ( 0.5000000 0.5000000 -0.4847525), wk = 0.0023923 k( 397) = ( 0.5000000 0.5000000 -0.4923763), wk = 0.0023923 k( 398) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023923 k( 399) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023923 k( 400) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0023923 k( 401) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0023923 k( 402) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0023923 k( 403) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0023923 k( 404) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0023923 k( 405) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0023923 k( 406) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0023923 k( 407) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0023923 k( 408) = ( 0.1184210 0.1184210 0.3815790), wk = 0.0023923 k( 409) = ( 0.1315790 0.1315789 0.3684211), wk = 0.0023923 k( 410) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0023923 k( 411) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0023923 k( 412) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0023923 k( 413) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0023923 k( 414) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0023923 k( 415) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0023923 k( 416) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0023923 k( 417) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0023923 k( 418) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023923 Dense grid: 49905 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 32805 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 238, 42) NL pseudopotentials 0.19 Mb ( 119, 102) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1387) G-vector shells 0.00 Mb ( 650) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 238, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./TiAu2.save/charge-density.dat negative rho (up, down): 1.972E-01 0.000E+00 Starting wfc are 36 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.1 secs Computing kpt #: 11 total cpu time spent up to now is 9.7 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.8 secs Computing kpt #: 15 total cpu time spent up to now is 12.6 secs Computing kpt #: 16 total cpu time spent up to now is 13.3 secs Computing kpt #: 17 total cpu time spent up to now is 14.0 secs Computing kpt #: 18 total cpu time spent up to now is 14.7 secs Computing kpt #: 19 total cpu time spent up to now is 15.4 secs Computing kpt #: 20 total cpu time spent up to now is 16.1 secs Computing kpt #: 21 total cpu time spent up to now is 16.8 secs Computing kpt #: 22 total cpu time spent up to now is 17.5 secs Computing kpt #: 23 total cpu time spent up to now is 18.2 secs Computing kpt #: 24 total cpu time spent up to now is 19.0 secs Computing kpt #: 25 total cpu time spent up to now is 19.6 secs Computing kpt #: 26 total cpu time spent up to now is 20.2 secs Computing kpt #: 27 total cpu time spent up to now is 20.9 secs Computing kpt #: 28 total cpu time spent up to now is 21.5 secs Computing kpt #: 29 total cpu time spent up to now is 22.2 secs Computing kpt #: 30 total cpu time spent up to now is 22.8 secs Computing kpt #: 31 total cpu time spent up to now is 23.5 secs Computing kpt #: 32 total cpu time spent up to now is 24.1 secs Computing kpt #: 33 total cpu time spent up to now is 24.7 secs Computing kpt #: 34 total cpu time spent up to now is 25.4 secs Computing kpt #: 35 total cpu time spent up to now is 26.0 secs Computing kpt #: 36 total cpu time spent up to now is 26.7 secs Computing kpt #: 37 total cpu time spent up to now is 27.3 secs Computing kpt #: 38 total cpu time spent up to now is 28.0 secs Computing kpt #: 39 total cpu time spent up to now is 28.7 secs Computing kpt #: 40 total cpu time spent up to now is 29.3 secs Computing kpt #: 41 total cpu time spent up to now is 30.0 secs Computing kpt #: 42 total cpu time spent up to now is 30.7 secs Computing kpt #: 43 total cpu time spent up to now is 31.3 secs Computing kpt #: 44 total cpu time spent up to now is 32.0 secs Computing kpt #: 45 total cpu time spent up to now is 32.7 secs Computing kpt #: 46 total cpu time spent up to now is 33.3 secs Computing kpt #: 47 total cpu time spent up to now is 34.0 secs Computing kpt #: 48 total cpu time spent up to now is 34.7 secs Computing kpt #: 49 total cpu time spent up to now is 35.3 secs Computing kpt #: 50 total cpu time spent up to now is 36.0 secs Computing kpt #: 51 total cpu time spent up to now is 36.7 secs Computing kpt #: 52 total cpu time spent up to now is 37.3 secs Computing kpt #: 53 total cpu time spent up to now is 38.0 secs Computing kpt #: 54 total cpu time spent up to now is 38.7 secs Computing kpt #: 55 total cpu time spent up to now is 39.3 secs Computing kpt #: 56 total cpu time spent up to now is 40.0 secs Computing kpt #: 57 total cpu time spent up to now is 40.6 secs Computing kpt #: 58 total cpu time spent up to now is 41.3 secs Computing kpt #: 59 total cpu time spent up to now is 42.0 secs Computing kpt #: 60 total cpu time spent up to now is 42.6 secs Computing kpt #: 61 total cpu time spent up to now is 43.3 secs Computing kpt #: 62 total cpu time spent up to now is 43.9 secs Computing kpt #: 63 total cpu time spent up to now is 44.6 secs Computing kpt #: 64 total cpu time spent up to now is 45.4 secs Computing kpt #: 65 total cpu time spent up to now is 46.4 secs Computing kpt #: 66 total cpu time spent up to now is 47.1 secs Computing kpt #: 67 total cpu time spent up to now is 47.7 secs Computing kpt #: 68 total cpu time spent up to now is 48.3 secs Computing kpt #: 69 total cpu time spent up to now is 49.0 secs Computing kpt #: 70 total cpu time spent up to now is 49.6 secs Computing kpt #: 71 total cpu time spent up to now is 50.3 secs Computing kpt #: 72 total cpu time spent up to now is 50.9 secs Computing kpt #: 73 total cpu time spent up to now is 51.6 secs Computing kpt #: 74 total cpu time spent up to now is 52.2 secs Computing kpt #: 75 total cpu time spent up to now is 52.9 secs Computing kpt #: 76 total cpu time spent up to now is 53.6 secs Computing kpt #: 77 total cpu time spent up to now is 54.2 secs Computing kpt #: 78 total cpu time spent up to now is 54.9 secs Computing kpt #: 79 total cpu time spent up to now is 55.5 secs Computing kpt #: 80 total cpu time spent up to now is 56.2 secs Computing kpt #: 81 total cpu time spent up to now is 56.8 secs Computing kpt #: 82 total cpu time spent up to now is 57.5 secs Computing kpt #: 83 total cpu time spent up to now is 58.2 secs Computing kpt #: 84 total cpu time spent up to now is 58.8 secs Computing kpt #: 85 total cpu time spent up to now is 59.5 secs Computing kpt #: 86 total cpu time spent up to now is 60.2 secs Computing kpt #: 87 total cpu time spent up to now is 60.8 secs Computing kpt #: 88 total cpu time spent up to now is 61.5 secs Computing kpt #: 89 total cpu time spent up to now is 62.1 secs Computing kpt #: 90 total cpu time spent up to now is 62.8 secs Computing kpt #: 91 total cpu time spent up to now is 63.4 secs Computing kpt #: 92 total cpu time spent up to now is 64.1 secs Computing kpt #: 93 total cpu time spent up to now is 64.8 secs Computing kpt #: 94 total cpu time spent up to now is 65.4 secs Computing kpt #: 95 total cpu time spent up to now is 66.1 secs Computing kpt #: 96 total cpu time spent up to now is 66.8 secs Computing kpt #: 97 total cpu time spent up to now is 67.5 secs Computing kpt #: 98 total cpu time spent up to now is 68.2 secs Computing kpt #: 99 total cpu time spent up to now is 69.0 secs Computing kpt #: 100 total cpu time spent up to now is 69.7 secs Computing kpt #: 101 total cpu time spent up to now is 70.4 secs Computing kpt #: 102 total cpu time spent up to now is 71.2 secs Computing kpt #: 103 total cpu time spent up to now is 71.9 secs Computing kpt #: 104 total cpu time spent up to now is 72.6 secs Computing kpt #: 105 total cpu time spent up to now is 73.4 secs Computing kpt #: 106 total cpu time spent up to now is 74.1 secs Computing kpt #: 107 total cpu time spent up to now is 74.9 secs Computing kpt #: 108 total cpu time spent up to now is 75.6 secs Computing kpt #: 109 total cpu time spent up to now is 76.4 secs Computing kpt #: 110 total cpu time spent up to now is 77.1 secs Computing kpt #: 111 total cpu time spent up to now is 77.9 secs Computing kpt #: 112 total cpu time spent up to now is 78.6 secs Computing kpt #: 113 total cpu time spent up to now is 79.3 secs Computing kpt #: 114 total cpu time spent up to now is 80.1 secs Computing kpt #: 115 total cpu time spent up to now is 80.8 secs Computing kpt #: 116 total cpu time spent up to now is 81.6 secs Computing kpt #: 117 total cpu time spent up to now is 82.3 secs Computing kpt #: 118 total cpu time spent up to now is 83.1 secs Computing kpt #: 119 total cpu time spent up to now is 83.8 secs Computing kpt #: 120 total cpu time spent up to now is 84.6 secs Computing kpt #: 121 total cpu time spent up to now is 85.3 secs Computing kpt #: 122 total cpu time spent up to now is 86.0 secs Computing kpt #: 123 total cpu time spent up to now is 86.8 secs Computing kpt #: 124 total cpu time spent up to now is 87.5 secs Computing kpt #: 125 total cpu time spent up to now is 88.2 secs Computing kpt #: 126 total cpu time spent up to now is 88.9 secs Computing kpt #: 127 total cpu time spent up to now is 89.7 secs Computing kpt #: 128 total cpu time spent up to now is 90.4 secs Computing kpt #: 129 total cpu time spent up to now is 91.1 secs Computing kpt #: 130 total cpu time spent up to now is 91.8 secs Computing kpt #: 131 total cpu time spent up to now is 92.5 secs Computing kpt #: 132 total cpu time spent up to now is 93.3 secs Computing kpt #: 133 total cpu time spent up to now is 94.0 secs Computing kpt #: 134 total cpu time spent up to now is 94.7 secs Computing kpt #: 135 total cpu time spent up to now is 95.4 secs Computing kpt #: 136 total cpu time spent up to now is 96.1 secs Computing kpt #: 137 total cpu time spent up to now is 96.7 secs Computing kpt #: 138 total cpu time spent up to now is 97.4 secs Computing kpt #: 139 total cpu time spent up to now is 98.1 secs Computing kpt #: 140 total cpu time spent up to now is 98.7 secs Computing kpt #: 141 total cpu time spent up to now is 99.4 secs Computing kpt #: 142 total cpu time spent up to now is 100.0 secs Computing kpt #: 143 total cpu time spent up to now is 100.7 secs Computing kpt #: 144 total cpu time spent up to now is 101.3 secs Computing kpt #: 145 total cpu time spent up to now is 102.0 secs Computing kpt #: 146 total cpu time spent up to now is 102.6 secs Computing kpt #: 147 total cpu time spent up to now is 103.3 secs Computing kpt #: 148 total cpu time spent up to now is 103.9 secs Computing kpt #: 149 total cpu time spent up to now is 104.5 secs Computing kpt #: 150 total cpu time spent up to now is 105.2 secs Computing kpt #: 151 total cpu time spent up to now is 105.8 secs Computing kpt #: 152 total cpu time spent up to now is 106.5 secs Computing kpt #: 153 total cpu time spent up to now is 107.1 secs Computing kpt #: 154 total cpu time spent up to now is 107.8 secs Computing kpt #: 155 total cpu time spent up to now is 108.5 secs Computing kpt #: 156 total cpu time spent up to now is 109.2 secs Computing kpt #: 157 total cpu time spent up to now is 109.9 secs Computing kpt #: 158 total cpu time spent up to now is 110.6 secs Computing kpt #: 159 total cpu time spent up to now is 111.3 secs Computing kpt #: 160 total cpu time spent up to now is 112.0 secs Computing kpt #: 161 total cpu time spent up to now is 112.7 secs Computing kpt #: 162 total cpu time spent up to now is 113.4 secs Computing kpt #: 163 total cpu time spent up to now is 114.1 secs Computing kpt #: 164 total cpu time spent up to now is 114.8 secs Computing kpt #: 165 total cpu time spent up to now is 115.5 secs Computing kpt #: 166 total cpu time spent up to now is 116.2 secs Computing kpt #: 167 total cpu time spent up to now is 116.9 secs Computing kpt #: 168 total cpu time spent up to now is 117.6 secs Computing kpt #: 169 total cpu time spent up to now is 118.3 secs Computing kpt #: 170 total cpu time spent up to now is 119.0 secs Computing kpt #: 171 total cpu time spent up to now is 119.7 secs Computing kpt #: 172 total cpu time spent up to now is 120.4 secs Computing kpt #: 173 total cpu time spent up to now is 121.1 secs Computing kpt #: 174 total cpu time spent up to now is 121.8 secs Computing kpt #: 175 total cpu time spent up to now is 122.4 secs Computing kpt #: 176 total cpu time spent up to now is 123.1 secs Computing kpt #: 177 total cpu time spent up to now is 123.8 secs Computing kpt #: 178 total cpu time spent up to now is 124.5 secs Computing kpt #: 179 total cpu time spent up to now is 125.2 secs Computing kpt #: 180 total cpu time spent up to now is 125.9 secs Computing kpt #: 181 total cpu time spent up to now is 126.6 secs Computing kpt #: 182 total cpu time spent up to now is 127.3 secs Computing kpt #: 183 total cpu time spent up to now is 128.0 secs Computing kpt #: 184 total cpu time spent up to now is 128.7 secs Computing kpt #: 185 total cpu time spent up to now is 129.4 secs Computing kpt #: 186 total cpu time spent up to now is 130.1 secs Computing kpt #: 187 total cpu time spent up to now is 130.8 secs Computing kpt #: 188 total cpu time spent up to now is 131.5 secs Computing kpt #: 189 total cpu time spent up to now is 132.2 secs Computing kpt #: 190 total cpu time spent up to now is 132.8 secs Computing kpt #: 191 total cpu time spent up to now is 133.5 secs Computing kpt #: 192 total cpu time spent up to now is 134.2 secs Computing kpt #: 193 total cpu time spent up to now is 134.9 secs Computing kpt #: 194 total cpu time spent up to now is 135.6 secs Computing kpt #: 195 total cpu time spent up to now is 136.3 secs Computing kpt #: 196 total cpu time spent up to now is 137.0 secs Computing kpt #: 197 total cpu time spent up to now is 137.7 secs Computing kpt #: 198 total cpu time spent up to now is 138.4 secs Computing kpt #: 199 total cpu time spent up to now is 139.2 secs Computing kpt #: 200 total cpu time spent up to now is 139.9 secs Computing kpt #: 201 total cpu time spent up to now is 140.6 secs Computing kpt #: 202 total cpu time spent up to now is 141.3 secs Computing kpt #: 203 total cpu time spent up to now is 142.1 secs Computing kpt #: 204 total cpu time spent up to now is 142.8 secs Computing kpt #: 205 total cpu time spent up to now is 143.5 secs Computing kpt #: 206 total cpu time spent up to now is 144.3 secs Computing kpt #: 207 total cpu time spent up to now is 145.0 secs Computing kpt #: 208 total cpu time spent up to now is 145.8 secs Computing kpt #: 209 total cpu time spent up to now is 146.5 secs Computing kpt #: 210 total cpu time spent up to now is 147.3 secs Computing kpt #: 211 total cpu time spent up to now is 147.9 secs Computing kpt #: 212 total cpu time spent up to now is 148.6 secs Computing kpt #: 213 total cpu time spent up to now is 149.2 secs Computing kpt #: 214 total cpu time spent up to now is 149.9 secs Computing kpt #: 215 total cpu time spent up to now is 150.6 secs Computing kpt #: 216 total cpu time spent up to now is 151.2 secs Computing kpt #: 217 total cpu time spent up to now is 151.9 secs Computing kpt #: 218 total cpu time spent up to now is 152.5 secs Computing kpt #: 219 total cpu time spent up to now is 153.2 secs Computing kpt #: 220 total cpu time spent up to now is 153.9 secs Computing kpt #: 221 total cpu time spent up to now is 154.6 secs Computing kpt #: 222 total cpu time spent up to now is 155.4 secs Computing kpt #: 223 total cpu time spent up to now is 156.0 secs Computing kpt #: 224 total cpu time spent up to now is 156.7 secs Computing kpt #: 225 total cpu time spent up to now is 157.4 secs Computing kpt #: 226 total cpu time spent up to now is 158.2 secs Computing kpt #: 227 total cpu time spent up to now is 158.9 secs Computing kpt #: 228 total cpu time spent up to now is 159.7 secs Computing kpt #: 229 total cpu time spent up to now is 160.4 secs Computing kpt #: 230 total cpu time spent up to now is 161.2 secs Computing kpt #: 231 total cpu time spent up to now is 161.9 secs Computing kpt #: 232 total cpu time spent up to now is 162.6 secs Computing kpt #: 233 total cpu time spent up to now is 163.4 secs Computing kpt #: 234 total cpu time spent up to now is 164.1 secs Computing kpt #: 235 total cpu time spent up to now is 164.9 secs Computing kpt #: 236 total cpu time spent up to now is 165.7 secs Computing kpt #: 237 total cpu time spent up to now is 166.4 secs Computing kpt #: 238 total cpu time spent up to now is 167.2 secs Computing kpt #: 239 total cpu time spent up to now is 168.0 secs Computing kpt #: 240 total cpu time spent up to now is 168.8 secs Computing kpt #: 241 total cpu time spent up to now is 169.6 secs Computing kpt #: 242 total cpu time spent up to now is 170.4 secs Computing kpt #: 243 total cpu time spent up to now is 171.2 secs Computing kpt #: 244 total cpu time spent up to now is 171.9 secs Computing kpt #: 245 total cpu time spent up to now is 172.7 secs Computing kpt #: 246 total cpu time spent up to now is 173.5 secs Computing kpt #: 247 total cpu time spent up to now is 174.2 secs Computing kpt #: 248 total cpu time spent up to now is 175.0 secs Computing kpt #: 249 total cpu time spent up to now is 175.7 secs Computing kpt #: 250 total cpu time spent up to now is 176.5 secs Computing kpt #: 251 total cpu time spent up to now is 177.2 secs Computing kpt #: 252 total cpu time spent up to now is 178.0 secs Computing kpt #: 253 total cpu time spent up to now is 178.7 secs Computing kpt #: 254 total cpu time spent up to now is 179.4 secs Computing kpt #: 255 total cpu time spent up to now is 180.2 secs Computing kpt #: 256 total cpu time spent up to now is 180.9 secs Computing kpt #: 257 total cpu time spent up to now is 181.7 secs Computing kpt #: 258 total cpu time spent up to now is 182.4 secs Computing kpt #: 259 total cpu time spent up to now is 183.1 secs Computing kpt #: 260 total cpu time spent up to now is 183.9 secs Computing kpt #: 261 total cpu time spent up to now is 184.6 secs Computing kpt #: 262 total cpu time spent up to now is 185.3 secs Computing kpt #: 263 total cpu time spent up to now is 186.1 secs Computing kpt #: 264 total cpu time spent up to now is 186.8 secs Computing kpt #: 265 total cpu time spent up to now is 187.6 secs Computing kpt #: 266 total cpu time spent up to now is 188.3 secs Computing kpt #: 267 total cpu time spent up to now is 189.1 secs Computing kpt #: 268 total cpu time spent up to now is 189.8 secs Computing kpt #: 269 total cpu time spent up to now is 190.6 secs Computing kpt #: 270 total cpu time spent up to now is 191.3 secs Computing kpt #: 271 total cpu time spent up to now is 192.1 secs Computing kpt #: 272 total cpu time spent up to now is 192.8 secs Computing kpt #: 273 total cpu time spent up to now is 193.6 secs Computing kpt #: 274 total cpu time spent up to now is 194.3 secs Computing kpt #: 275 total cpu time spent up to now is 195.1 secs Computing kpt #: 276 total cpu time spent up to now is 195.8 secs Computing kpt #: 277 total cpu time spent up to now is 196.6 secs Computing kpt #: 278 total cpu time spent up to now is 197.3 secs Computing kpt #: 279 total cpu time spent up to now is 198.0 secs Computing kpt #: 280 total cpu time spent up to now is 198.8 secs Computing kpt #: 281 total cpu time spent up to now is 199.5 secs Computing kpt #: 282 total cpu time spent up to now is 200.2 secs Computing kpt #: 283 total cpu time spent up to now is 201.0 secs Computing kpt #: 284 total cpu time spent up to now is 201.7 secs Computing kpt #: 285 total cpu time spent up to now is 202.4 secs Computing kpt #: 286 total cpu time spent up to now is 203.2 secs Computing kpt #: 287 total cpu time spent up to now is 203.9 secs Computing kpt #: 288 total cpu time spent up to now is 204.6 secs Computing kpt #: 289 total cpu time spent up to now is 205.3 secs Computing kpt #: 290 total cpu time spent up to now is 206.1 secs Computing kpt #: 291 total cpu time spent up to now is 206.8 secs Computing kpt #: 292 total cpu time spent up to now is 207.5 secs Computing kpt #: 293 total cpu time spent up to now is 208.3 secs Computing kpt #: 294 total cpu time spent up to now is 209.0 secs Computing kpt #: 295 total cpu time spent up to now is 209.7 secs Computing kpt #: 296 total cpu time spent up to now is 210.5 secs Computing kpt #: 297 total cpu time spent up to now is 211.2 secs Computing kpt #: 298 total cpu time spent up to now is 212.0 secs Computing kpt #: 299 total cpu time spent up to now is 212.8 secs Computing kpt #: 300 total cpu time spent up to now is 213.5 secs Computing kpt #: 301 total cpu time spent up to now is 214.3 secs Computing kpt #: 302 total cpu time spent up to now is 215.0 secs Computing kpt #: 303 total cpu time spent up to now is 215.8 secs Computing kpt #: 304 total cpu time spent up to now is 216.6 secs Computing kpt #: 305 total cpu time spent up to now is 217.3 secs Computing kpt #: 306 total cpu time spent up to now is 218.1 secs Computing kpt #: 307 total cpu time spent up to now is 218.9 secs Computing kpt #: 308 total cpu time spent up to now is 219.6 secs Computing kpt #: 309 total cpu time spent up to now is 220.4 secs Computing kpt #: 310 total cpu time spent up to now is 221.2 secs Computing kpt #: 311 total cpu time spent up to now is 221.9 secs Computing kpt #: 312 total cpu time spent up to now is 222.7 secs Computing kpt #: 313 total cpu time spent up to now is 223.5 secs Computing kpt #: 314 total cpu time spent up to now is 224.2 secs Computing kpt #: 315 total cpu time spent up to now is 225.0 secs Computing kpt #: 316 total cpu time spent up to now is 225.7 secs Computing kpt #: 317 total cpu time spent up to now is 226.5 secs Computing kpt #: 318 total cpu time spent up to now is 227.1 secs Computing kpt #: 319 total cpu time spent up to now is 227.8 secs Computing kpt #: 320 total cpu time spent up to now is 228.5 secs Computing kpt #: 321 total cpu time spent up to now is 229.1 secs Computing kpt #: 322 total cpu time spent up to now is 229.8 secs Computing kpt #: 323 total cpu time spent up to now is 230.5 secs Computing kpt #: 324 total cpu time spent up to now is 231.2 secs Computing kpt #: 325 total cpu time spent up to now is 231.9 secs Computing kpt #: 326 total cpu time spent up to now is 232.6 secs Computing kpt #: 327 total cpu time spent up to now is 233.3 secs Computing kpt #: 328 total cpu time spent up to now is 234.0 secs Computing kpt #: 329 total cpu time spent up to now is 234.6 secs Computing kpt #: 330 total cpu time spent up to now is 235.3 secs Computing kpt #: 331 total cpu time spent up to now is 236.0 secs Computing kpt #: 332 total cpu time spent up to now is 236.7 secs Computing kpt #: 333 total cpu time spent up to now is 237.3 secs Computing kpt #: 334 total cpu time spent up to now is 238.0 secs Computing kpt #: 335 total cpu time spent up to now is 238.7 secs Computing kpt #: 336 total cpu time spent up to now is 239.4 secs Computing kpt #: 337 total cpu time spent up to now is 240.0 secs Computing kpt #: 338 total cpu time spent up to now is 240.7 secs Computing kpt #: 339 total cpu time spent up to now is 241.4 secs Computing kpt #: 340 total cpu time spent up to now is 242.0 secs Computing kpt #: 341 total cpu time spent up to now is 242.7 secs Computing kpt #: 342 total cpu time spent up to now is 243.3 secs Computing kpt #: 343 total cpu time spent up to now is 244.0 secs Computing kpt #: 344 total cpu time spent up to now is 244.6 secs Computing kpt #: 345 total cpu time spent up to now is 245.3 secs Computing kpt #: 346 total cpu time spent up to now is 245.9 secs Computing kpt #: 347 total cpu time spent up to now is 246.6 secs Computing kpt #: 348 total cpu time spent up to now is 247.2 secs Computing kpt #: 349 total cpu time spent up to now is 247.9 secs Computing kpt #: 350 total cpu time spent up to now is 248.6 secs Computing kpt #: 351 total cpu time spent up to now is 249.2 secs Computing kpt #: 352 total cpu time spent up to now is 249.9 secs Computing kpt #: 353 total cpu time spent up to now is 250.5 secs Computing kpt #: 354 total cpu time spent up to now is 251.2 secs Computing kpt #: 355 total cpu time spent up to now is 251.9 secs Computing kpt #: 356 total cpu time spent up to now is 252.6 secs Computing kpt #: 357 total cpu time spent up to now is 253.4 secs Computing kpt #: 358 total cpu time spent up to now is 254.1 secs Computing kpt #: 359 total cpu time spent up to now is 254.8 secs Computing kpt #: 360 total cpu time spent up to now is 255.5 secs Computing kpt #: 361 total cpu time spent up to now is 256.3 secs Computing kpt #: 362 total cpu time spent up to now is 257.0 secs Computing kpt #: 363 total cpu time spent up to now is 257.7 secs Computing kpt #: 364 total cpu time spent up to now is 258.5 secs Computing kpt #: 365 total cpu time spent up to now is 259.2 secs Computing kpt #: 366 total cpu time spent up to now is 259.9 secs Computing kpt #: 367 total cpu time spent up to now is 260.7 secs Computing kpt #: 368 total cpu time spent up to now is 261.4 secs Computing kpt #: 369 total cpu time spent up to now is 262.1 secs Computing kpt #: 370 total cpu time spent up to now is 262.9 secs Computing kpt #: 371 total cpu time spent up to now is 263.6 secs Computing kpt #: 372 total cpu time spent up to now is 264.4 secs Computing kpt #: 373 total cpu time spent up to now is 265.1 secs Computing kpt #: 374 total cpu time spent up to now is 265.9 secs Computing kpt #: 375 total cpu time spent up to now is 266.6 secs Computing kpt #: 376 total cpu time spent up to now is 267.4 secs Computing kpt #: 377 total cpu time spent up to now is 268.1 secs Computing kpt #: 378 total cpu time spent up to now is 268.9 secs Computing kpt #: 379 total cpu time spent up to now is 269.6 secs Computing kpt #: 380 total cpu time spent up to now is 270.4 secs Computing kpt #: 381 total cpu time spent up to now is 271.1 secs Computing kpt #: 382 total cpu time spent up to now is 271.9 secs Computing kpt #: 383 total cpu time spent up to now is 272.6 secs Computing kpt #: 384 total cpu time spent up to now is 273.3 secs Computing kpt #: 385 total cpu time spent up to now is 274.0 secs Computing kpt #: 386 total cpu time spent up to now is 274.7 secs Computing kpt #: 387 total cpu time spent up to now is 275.4 secs Computing kpt #: 388 total cpu time spent up to now is 276.0 secs Computing kpt #: 389 total cpu time spent up to now is 276.7 secs Computing kpt #: 390 total cpu time spent up to now is 277.4 secs Computing kpt #: 391 total cpu time spent up to now is 278.0 secs Computing kpt #: 392 total cpu time spent up to now is 278.7 secs Computing kpt #: 393 total cpu time spent up to now is 279.4 secs Computing kpt #: 394 total cpu time spent up to now is 280.1 secs Computing kpt #: 395 total cpu time spent up to now is 280.7 secs Computing kpt #: 396 total cpu time spent up to now is 281.4 secs Computing kpt #: 397 total cpu time spent up to now is 282.1 secs Computing kpt #: 398 total cpu time spent up to now is 282.7 secs Computing kpt #: 399 total cpu time spent up to now is 283.3 secs Computing kpt #: 400 total cpu time spent up to now is 284.0 secs Computing kpt #: 401 total cpu time spent up to now is 284.6 secs Computing kpt #: 402 total cpu time spent up to now is 285.3 secs Computing kpt #: 403 total cpu time spent up to now is 285.9 secs Computing kpt #: 404 total cpu time spent up to now is 286.6 secs Computing kpt #: 405 total cpu time spent up to now is 287.2 secs Computing kpt #: 406 total cpu time spent up to now is 287.9 secs Computing kpt #: 407 total cpu time spent up to now is 288.5 secs Computing kpt #: 408 total cpu time spent up to now is 289.2 secs Computing kpt #: 409 total cpu time spent up to now is 289.9 secs Computing kpt #: 410 total cpu time spent up to now is 290.5 secs Computing kpt #: 411 total cpu time spent up to now is 291.2 secs Computing kpt #: 412 total cpu time spent up to now is 291.9 secs Computing kpt #: 413 total cpu time spent up to now is 292.6 secs Computing kpt #: 414 total cpu time spent up to now is 293.2 secs Computing kpt #: 415 total cpu time spent up to now is 294.0 secs Computing kpt #: 416 total cpu time spent up to now is 294.6 secs Computing kpt #: 417 total cpu time spent up to now is 295.3 secs Computing kpt #: 418 total cpu time spent up to now is 296.0 secs ethr = 2.94E-08, avg # of iterations = 21.5 total cpu time spent up to now is 296.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4103 PWs) bands (ev): -41.2513 -41.2513 -21.3595 -21.3595 -19.1853 -19.1853 -18.6855 -18.6855 1.0852 1.0852 1.7856 1.7856 2.7003 2.7003 6.8240 6.8240 6.9272 6.9272 7.9432 7.9432 7.9875 7.9875 8.8847 8.8847 9.6170 9.6170 10.0417 10.0417 10.7580 10.7580 17.0965 17.0965 17.4166 17.4166 17.8527 17.8527 18.1955 18.1955 19.4147 19.4147 23.5567 23.5567 k = 0.0000 0.0000 0.0156 ( 4111 PWs) bands (ev): -41.2513 -41.2513 -21.3595 -21.3595 -19.1854 -19.1854 -18.6855 -18.6855 1.0852 1.0852 1.7856 1.7856 2.7008 2.7008 6.8246 6.8246 6.9273 6.9273 7.9436 7.9436 7.9874 7.9874 8.8861 8.8861 9.6163 9.6163 10.0422 10.0422 10.7578 10.7578 17.0985 17.0985 17.4167 17.4167 17.8516 17.8516 18.1950 18.1950 19.4123 19.4123 23.5563 23.5563 k = 0.0000 0.0000 0.0311 ( 4119 PWs) bands (ev): -41.2512 -41.2512 -21.3595 -21.3595 -19.1855 -19.1855 -18.6857 -18.6857 1.0854 1.0854 1.7856 1.7856 2.7021 2.7021 6.8265 6.8265 6.9275 6.9275 7.9449 7.9449 7.9872 7.9872 8.8903 8.8903 9.6141 9.6141 10.0439 10.0439 10.7571 10.7571 17.1044 17.1044 17.4172 17.4172 17.8482 17.8482 18.1936 18.1936 19.4052 19.4052 23.5551 23.5551 k = 0.0000 0.0000 0.0467 ( 4119 PWs) bands (ev): -41.2512 -41.2512 -21.3595 -21.3595 -19.1856 -19.1856 -18.6859 -18.6859 1.0856 1.0856 1.7856 1.7856 2.7044 2.7044 6.8294 6.8294 6.9280 6.9280 7.9471 7.9471 7.9867 7.9867 8.8972 8.8972 9.6105 9.6105 10.0466 10.0466 10.7559 10.7559 17.1141 17.1141 17.4180 17.4180 17.8425 17.8425 18.1912 18.1912 19.3933 19.3933 23.5529 23.5529 k = 0.0000 0.0000 0.0623 ( 4115 PWs) bands (ev): -41.2512 -41.2512 -21.3595 -21.3595 -19.1859 -19.1859 -18.6861 -18.6861 1.0859 1.0859 1.7856 1.7856 2.7075 2.7075 6.8335 6.8335 6.9288 6.9288 7.9500 7.9500 7.9862 7.9862 8.9068 8.9068 9.6053 9.6053 10.0504 10.0504 10.7543 10.7543 17.1276 17.1276 17.4192 17.4192 17.8347 17.8347 18.1880 18.1880 19.3768 19.3768 23.5499 23.5499 k = 0.0000 0.0000 0.0779 ( 4103 PWs) bands (ev): -41.2511 -41.2511 -21.3595 -21.3595 -19.1862 -19.1862 -18.6865 -18.6865 1.0863 1.0863 1.7856 1.7856 2.7116 2.7116 6.8385 6.8385 6.9299 6.9299 7.9538 7.9538 7.9856 7.9856 8.9192 8.9192 9.5988 9.5988 10.0554 10.0554 10.7523 10.7523 17.1446 17.1446 17.4207 17.4207 17.8248 17.8248 18.1841 18.1841 19.3557 19.3557 23.5459 23.5459 k = 0.0000 0.0000 0.0934 ( 4103 PWs) bands (ev): -41.2511 -41.2511 -21.3595 -21.3595 -19.1866 -19.1866 -18.6869 -18.6869 1.0868 1.0868 1.7856 1.7856 2.7165 2.7165 6.8443 6.8443 6.9315 6.9315 7.9583 7.9583 7.9850 7.9850 8.9342 8.9342 9.5908 9.5908 10.0616 10.0616 10.7500 10.7500 17.1650 17.1650 17.4225 17.4225 17.8130 17.8130 18.1794 18.1794 19.3303 19.3303 23.5408 23.5408 k = 0.0000 0.0000 0.1090 ( 4097 PWs) bands (ev): -41.2510 -41.2510 -21.3595 -21.3595 -19.1871 -19.1871 -18.6874 -18.6874 1.0874 1.0874 1.7856 1.7856 2.7223 2.7223 6.8507 6.8507 6.9338 6.9338 7.9634 7.9634 7.9845 7.9845 8.9518 8.9518 9.5813 9.5813 10.0689 10.0689 10.7474 10.7474 17.1883 17.1883 17.4247 17.4247 17.7993 17.7993 18.1743 18.1743 19.3006 19.3006 23.5346 23.5346 k = 0.0000 0.0000 0.1246 ( 4101 PWs) bands (ev): -41.2509 -41.2509 -21.3595 -21.3595 -19.1876 -19.1876 -18.6880 -18.6880 1.0880 1.0880 1.7857 1.7857 2.7289 2.7289 6.8572 6.8572 6.9372 6.9372 7.9688 7.9688 7.9845 7.9845 8.9721 8.9721 9.5705 9.5705 10.0775 10.0775 10.7446 10.7446 17.2142 17.2142 17.4272 17.4272 17.7841 17.7841 18.1690 18.1690 19.2668 19.2668 23.5270 23.5270 k = 0.0000 0.0000 0.1401 ( 4101 PWs) bands (ev): -41.2508 -41.2508 -21.3595 -21.3595 -19.1882 -19.1882 -18.6886 -18.6886 1.0888 1.0888 1.7858 1.7858 2.7363 2.7363 6.8633 6.8633 6.9422 6.9422 7.9734 7.9734 7.9861 7.9861 8.9947 8.9947 9.5583 9.5583 10.0874 10.0874 10.7416 10.7416 17.2420 17.2420 17.4301 17.4301 17.7677 17.7677 18.1637 18.1637 19.2293 19.2293 23.5179 23.5179 k = 0.0000 0.0000 0.1557 ( 4101 PWs) bands (ev): -41.2507 -41.2507 -21.3595 -21.3595 -19.1889 -19.1889 -18.6893 -18.6893 1.0895 1.0895 1.7859 1.7859 2.7445 2.7445 6.8687 6.8687 6.9490 6.9490 7.9760 7.9760 7.9905 7.9905 9.0198 9.0198 9.5448 9.5448 10.0986 10.0986 10.7385 10.7385 17.2708 17.2708 17.4334 17.4334 17.7504 17.7504 18.1589 18.1589 19.1881 19.1881 23.5069 23.5069 k = 0.0000 0.0000 0.1713 ( 4097 PWs) bands (ev): -41.2506 -41.2506 -21.3595 -21.3595 -19.1896 -19.1896 -18.6901 -18.6901 1.0904 1.0904 1.7860 1.7860 2.7534 2.7534 6.8728 6.8728 6.9581 6.9581 7.9768 7.9768 7.9975 7.9975 9.0472 9.0472 9.5300 9.5300 10.1112 10.1112 10.7355 10.7355 17.2996 17.2996 17.4371 17.4371 17.7329 17.7329 18.1551 18.1551 19.1436 19.1436 23.4936 23.4936 k = 0.0000 0.0000 0.1869 ( 4101 PWs) bands (ev): -41.2504 -41.2504 -21.3595 -21.3595 -19.1904 -19.1904 -18.6910 -18.6910 1.0913 1.0913 1.7862 1.7862 2.7631 2.7631 6.8756 6.8756 6.9696 6.9696 7.9770 7.9770 8.0059 8.0059 9.0768 9.0768 9.5141 9.5141 10.1252 10.1252 10.7325 10.7325 17.3266 17.3266 17.4412 17.4412 17.7161 17.7161 18.1531 18.1531 19.0961 19.0961 23.4774 23.4774 k = 0.0000 0.0000 0.2024 ( 4101 PWs) bands (ev): -41.2503 -41.2503 -21.3595 -21.3595 -19.1913 -19.1913 -18.6919 -18.6919 1.0923 1.0923 1.7865 1.7865 2.7734 2.7734 6.8769 6.8769 6.9835 6.9835 7.9772 7.9772 8.0152 8.0152 9.1083 9.1083 9.4971 9.4971 10.1408 10.1408 10.7299 10.7299 17.3499 17.3499 17.4455 17.4455 17.7013 17.7013 18.1536 18.1536 19.0459 19.0459 23.4575 23.4575 k = 0.0000 0.0000 0.2180 ( 4093 PWs) bands (ev): -41.2501 -41.2501 -21.3595 -21.3595 -19.1922 -19.1922 -18.6929 -18.6929 1.0933 1.0933 1.7868 1.7868 2.7844 2.7844 6.8769 6.8769 6.9994 6.9994 7.9775 7.9775 8.0251 8.0251 9.1415 9.1415 9.4793 9.4793 10.1579 10.1579 10.7276 10.7276 17.3675 17.3675 17.4492 17.4492 17.6899 17.6899 18.1580 18.1580 18.9933 18.9933 23.4327 23.4327 k = 0.0000 0.0000 0.2336 ( 4093 PWs) bands (ev): -41.2500 -41.2500 -21.3595 -21.3595 -19.1931 -19.1931 -18.6939 -18.6939 1.0943 1.0943 1.7872 1.7872 2.7960 2.7960 6.8759 6.8759 7.0173 7.0173 7.9782 7.9782 8.0356 8.0356 9.1759 9.1759 9.4612 9.4612 10.1766 10.1766 10.7258 10.7258 17.3774 17.3774 17.4516 17.4516 17.6833 17.6833 18.1676 18.1676 18.9388 18.9388 23.4016 23.4016 k = 0.0000 0.0000 0.2492 ( 4087 PWs) bands (ev): -41.2498 -41.2498 -21.3595 -21.3595 -19.1942 -19.1942 -18.6950 -18.6950 1.0953 1.0953 1.7878 1.7878 2.8082 2.8082 6.8739 6.8739 7.0367 7.0367 7.9793 7.9793 8.0464 8.0464 9.2108 9.2108 9.4435 9.4435 10.1970 10.1970 10.7246 10.7246 17.3781 17.3781 17.4524 17.4524 17.6816 17.6816 18.1839 18.1839 18.8827 18.8827 23.3622 23.3622 k = 0.0000 0.0000 0.2647 ( 4091 PWs) bands (ev): -41.2496 -41.2496 -21.3595 -21.3595 -19.1952 -19.1952 -18.6961 -18.6961 1.0964 1.0964 1.7884 1.7884 2.8209 2.8209 6.8712 6.8712 7.0576 7.0576 7.9808 7.9808 8.0576 8.0576 9.2442 9.2442 9.4279 9.4279 10.2190 10.2190 10.7243 10.7243 17.3682 17.3682 17.4527 17.4527 17.6835 17.6835 18.2085 18.2085 18.8254 18.8254 23.3124 23.3124 k = 0.0000 0.0000 0.2803 ( 4091 PWs) bands (ev): -41.2494 -41.2494 -21.3595 -21.3595 -19.1964 -19.1964 -18.6973 -18.6973 1.0975 1.0975 1.7891 1.7891 2.8340 2.8340 6.8677 6.8677 7.0797 7.0797 7.9829 7.9829 8.0690 8.0690 9.2722 9.2722 9.4185 9.4185 10.2429 10.2429 10.7251 10.7251 17.3482 17.3482 17.4534 17.4534 17.6864 17.6864 18.2424 18.2424 18.7675 18.7675 23.2503 23.2503 k = 0.0000 0.0000 0.2959 ( 4095 PWs) bands (ev): -41.2492 -41.2492 -21.3595 -21.3595 -19.1975 -19.1975 -18.6986 -18.6986 1.0986 1.0986 1.7900 1.7900 2.8476 2.8476 6.8635 6.8635 7.1030 7.1030 7.9856 7.9856 8.0806 8.0806 9.2873 9.2873 9.4227 9.4227 10.2684 10.2684 10.7270 10.7270 17.3196 17.3196 17.4545 17.4545 17.6881 17.6881 18.2860 18.2860 18.7094 18.7094 23.1749 23.1749 k = 0.0000 0.0000 0.3114 ( 4091 PWs) bands (ev): -41.2490 -41.2490 -21.3595 -21.3595 -19.1987 -19.1987 -18.6999 -18.6999 1.0997 1.0997 1.7911 1.7911 2.8615 2.8615 6.8588 6.8588 7.1272 7.1272 7.9889 7.9889 8.0923 8.0923 9.2847 9.2847 9.4451 9.4451 10.2958 10.2958 10.7305 10.7305 17.2841 17.2841 17.4556 17.4556 17.6876 17.6876 18.3393 18.3393 18.6515 18.6515 23.0867 23.0867 k = 0.0000 0.0000 0.3270 ( 4097 PWs) bands (ev): -41.2488 -41.2488 -21.3595 -21.3595 -19.2000 -19.2000 -18.7012 -18.7012 1.1008 1.1008 1.7922 1.7922 2.8758 2.8758 6.8535 6.8535 7.1522 7.1522 7.9929 7.9929 8.1040 8.1040 9.2696 9.2696 9.4806 9.4806 10.3248 10.3248 10.7357 10.7357 17.2430 17.2430 17.4560 17.4560 17.6845 17.6845 18.4014 18.4014 18.5944 18.5944 22.9873 22.9873 k = 0.0000 0.0000 0.3426 ( 4097 PWs) bands (ev): -41.2486 -41.2486 -21.3595 -21.3595 -19.2013 -19.2013 -18.7026 -18.7026 1.1019 1.1019 1.7936 1.7936 2.8903 2.8903 6.8476 6.8476 7.1778 7.1778 7.9976 7.9976 8.1156 8.1156 9.2480 9.2480 9.5230 9.5230 10.3555 10.3555 10.7431 10.7431 17.1970 17.1970 17.4553 17.4553 17.6795 17.6795 18.4715 18.4715 18.5385 18.5385 22.8790 22.8790 k = 0.0000 0.0000 0.3582 ( 4099 PWs) bands (ev): -41.2484 -41.2484 -21.3595 -21.3595 -19.2026 -19.2026 -18.7040 -18.7040 1.1029 1.1029 1.7951 1.7951 2.9051 2.9051 6.8413 6.8413 7.2039 7.2039 8.0030 8.0030 8.1273 8.1273 9.2231 9.2231 9.5690 9.5690 10.3879 10.3879 10.7530 10.7530 17.1466 17.1466 17.4527 17.4527 17.6734 17.6734 18.4844 18.4844 18.5485 18.5485 22.7640 22.7640 k = 0.0000 0.0000 0.3737 ( 4095 PWs) bands (ev): -41.2481 -41.2481 -21.3595 -21.3595 -19.2039 -19.2039 -18.7055 -18.7055 1.1040 1.1040 1.7968 1.7968 2.9200 2.9200 6.8346 6.8346 7.2304 7.2304 8.0091 8.0091 8.1388 8.1388 9.1963 9.1963 9.6170 9.6170 10.4216 10.4216 10.7659 10.7659 17.0921 17.0921 17.4480 17.4480 17.6671 17.6671 18.4325 18.4325 18.6316 18.6316 22.6442 22.6442 k = 0.0000 0.0000 0.3893 ( 4081 PWs) bands (ev): -41.2479 -41.2479 -21.3595 -21.3595 -19.2053 -19.2053 -18.7069 -18.7069 1.1049 1.1049 1.7987 1.7987 2.9350 2.9350 6.8274 6.8274 7.2570 7.2570 8.0159 8.0159 8.1501 8.1501 9.1685 9.1685 9.6661 9.6661 10.4567 10.4567 10.7824 10.7824 17.0335 17.0335 17.4404 17.4404 17.6617 17.6617 18.3832 18.3832 18.7199 18.7199 22.5212 22.5212 k = 0.0000 0.0000 0.4049 ( 4081 PWs) bands (ev): -41.2477 -41.2477 -21.3595 -21.3595 -19.2067 -19.2067 -18.7084 -18.7084 1.1059 1.1059 1.8008 1.8008 2.9501 2.9501 6.8199 6.8199 7.2836 7.2836 8.0234 8.0234 8.1614 8.1614 9.1400 9.1400 9.7156 9.7156 10.4929 10.4929 10.8030 10.8030 16.9710 16.9710 17.4297 17.4297 17.6580 17.6580 18.3369 18.3369 18.8127 18.8127 22.3960 22.3960 k = 0.0000 0.0000 0.4204 ( 4075 PWs) bands (ev): -41.2474 -41.2474 -21.3595 -21.3595 -19.2081 -19.2081 -18.7100 -18.7100 1.1068 1.1068 1.8031 1.8031 2.9652 2.9652 6.8121 6.8121 7.3099 7.3099 8.0316 8.0316 8.1726 8.1726 9.1113 9.1113 9.7648 9.7648 10.5300 10.5300 10.8284 10.8284 16.9046 16.9046 17.4158 17.4158 17.6563 17.6563 18.2939 18.2939 18.9095 18.9095 22.2696 22.2696 k = 0.0000 0.0000 0.4360 ( 4079 PWs) bands (ev): -41.2472 -41.2472 -21.3595 -21.3595 -19.2095 -19.2095 -18.7115 -18.7115 1.1076 1.1076 1.8057 1.8057 2.9803 2.9803 6.8040 6.8040 7.3357 7.3357 8.0403 8.0403 8.1837 8.1837 9.0827 9.0827 9.8132 9.8132 10.5681 10.5681 10.8591 10.8591 16.8346 16.8346 17.3989 17.3989 17.6569 17.6569 18.2545 18.2545 19.0097 19.0097 22.1427 22.1427 k = 0.0000 0.0000 0.4516 ( 4075 PWs) bands (ev): -41.2469 -41.2469 -21.3595 -21.3595 -19.2110 -19.2110 -18.7130 -18.7130 1.1084 1.1084 1.8084 1.8084 2.9952 2.9952 6.7957 6.7957 7.3608 7.3608 8.0497 8.0497 8.1947 8.1947 9.0545 9.0545 9.8600 9.8600 10.6070 10.6070 10.8957 10.8957 16.7611 16.7611 17.3792 17.3792 17.6597 17.6597 18.2189 18.2189 19.1128 19.1128 22.0157 22.0157 k = 0.0000 0.0000 0.4672 ( 4079 PWs) bands (ev): -41.2467 -41.2467 -21.3595 -21.3595 -19.2125 -19.2125 -18.7146 -18.7146 1.1091 1.1091 1.8114 1.8114 3.0101 3.0101 6.7872 6.7872 7.3849 7.3849 8.0596 8.0596 8.2058 8.2058 9.0269 9.0269 9.9047 9.9047 10.6471 10.6471 10.9385 10.9385 16.6842 16.6842 17.3571 17.3571 17.6645 17.6645 18.1871 18.1871 19.2183 19.2183 21.8891 21.8891 k = 0.0000 0.0000 0.4827 ( 4083 PWs) bands (ev): -41.2464 -41.2464 -21.3595 -21.3595 -19.2139 -19.2139 -18.7162 -18.7162 1.1098 1.1098 1.8145 1.8145 3.0247 3.0247 6.7786 6.7786 7.4077 7.4077 8.0700 8.0700 8.2169 8.2169 9.0005 9.0005 9.9468 9.9468 10.6885 10.6885 10.9876 10.9876 16.6042 16.6042 17.3333 17.3333 17.6710 17.6710 18.1593 18.1593 19.3257 19.3257 21.7632 21.7632 k = 0.0000 0.0000 0.4983 ( 4083 PWs) bands (ev): -41.2462 -41.2462 -21.3595 -21.3595 -19.2154 -19.2154 -18.7178 -18.7178 1.1103 1.1103 1.8179 1.8179 3.0391 3.0391 6.7700 6.7700 7.4289 7.4289 8.0807 8.0807 8.2281 8.2281 8.9754 8.9754 9.9856 9.9856 10.7317 10.7317 11.0431 11.0431 16.5214 16.5214 17.3079 17.3079 17.6790 17.6790 18.1355 18.1355 19.4345 19.4345 21.6384 21.6384 k = 0.0000 0.0000 0.5139 ( 4083 PWs) bands (ev): -41.2459 -41.2459 -21.3595 -21.3595 -19.2169 -19.2169 -18.7193 -18.7193 1.1108 1.1108 1.8215 1.8215 3.0533 3.0533 6.7613 6.7613 7.4483 7.4483 8.0917 8.0917 8.2395 8.2395 8.9521 8.9521 10.0210 10.0210 10.7768 10.7768 11.1050 11.1050 16.4360 16.4360 17.2814 17.2814 17.6883 17.6883 18.1156 18.1156 19.5440 19.5440 21.5148 21.5148 k = 0.0000 0.0000 0.5295 ( 4083 PWs) bands (ev): -41.2457 -41.2457 -21.3595 -21.3595 -19.2183 -19.2183 -18.7209 -18.7209 1.1113 1.1113 1.8253 1.8253 3.0672 3.0672 6.7527 6.7527 7.4656 7.4656 8.1030 8.1030 8.2509 8.2509 8.9309 8.9309 10.0525 10.0525 10.8241 10.8241 11.1731 11.1731 16.3484 16.3484 17.2541 17.2541 17.6987 17.6987 18.0997 18.0997 19.6536 19.6536 21.3927 21.3927 k = 0.0000 0.0000 0.5450 ( 4079 PWs) bands (ev): -41.2454 -41.2454 -21.3595 -21.3595 -19.2198 -19.2198 -18.7225 -18.7225 1.1116 1.1116 1.8293 1.8293 3.0807 3.0807 6.7441 6.7441 7.4806 7.4806 8.1144 8.1144 8.2625 8.2625 8.9123 8.9123 10.0803 10.0803 10.8735 10.8735 11.2475 11.2475 16.2589 16.2589 17.2262 17.2262 17.7101 17.7101 18.0876 18.0876 19.7622 19.7622 21.2724 21.2724 k = 0.0000 0.0000 0.5606 ( 4083 PWs) bands (ev): -41.2452 -41.2452 -21.3595 -21.3595 -19.2212 -19.2212 -18.7240 -18.7240 1.1119 1.1119 1.8335 1.8335 3.0939 3.0939 6.7357 6.7357 7.4930 7.4930 8.1257 8.1257 8.2740 8.2740 8.8967 8.8967 10.1044 10.1044 10.9248 10.9248 11.3280 11.3280 16.1678 16.1678 17.1979 17.1979 17.7223 17.7223 18.0793 18.0793 19.8690 19.8690 21.1539 21.1539 k = 0.0000 0.0000 0.5762 ( 4079 PWs) bands (ev): -41.2449 -41.2449 -21.3595 -21.3595 -19.2227 -19.2227 -18.7256 -18.7256 1.1121 1.1121 1.8379 1.8379 3.1067 3.1067 6.7274 6.7274 7.5027 7.5027 8.1369 8.1369 8.2854 8.2854 8.8846 8.8846 10.1251 10.1251 10.9778 10.9778 11.4145 11.4145 16.0754 16.0754 17.1694 17.1694 17.7352 17.7352 18.0747 18.0747 19.9723 19.9723 21.0375 21.0375 k = 0.0000 0.0000 0.5917 ( 4083 PWs) bands (ev): -41.2447 -41.2447 -21.3595 -21.3595 -19.2241 -19.2241 -18.7271 -18.7271 1.1122 1.1122 1.8424 1.8424 3.1190 3.1190 6.7193 6.7193 7.5097 7.5097 8.1476 8.1476 8.2966 8.2966 8.8763 8.8763 10.1425 10.1425 11.0320 11.0320 11.5069 11.5069 15.9821 15.9821 17.1408 17.1408 17.7488 17.7488 18.0736 18.0736 20.0703 20.0703 20.9234 20.9234 k = 0.0000 0.0000 0.6073 ( 4077 PWs) bands (ev): -41.2444 -41.2444 -21.3595 -21.3595 -19.2255 -19.2255 -18.7286 -18.7286 1.1123 1.1123 1.8471 1.8471 3.1310 3.1310 6.7115 6.7115 7.5138 7.5138 8.1577 8.1577 8.3076 8.3076 8.8722 8.8722 10.1572 10.1572 11.0870 11.0870 11.6051 11.6051 15.8882 15.8882 17.1123 17.1123 17.7630 17.7630 18.0759 18.0759 20.1604 20.1604 20.8122 20.8122 k = 0.0000 0.0000 0.6229 ( 4077 PWs) bands (ev): -41.2442 -41.2442 -21.3595 -21.3595 -19.2269 -19.2269 -18.7300 -18.7300 1.1123 1.1123 1.8519 1.8519 3.1424 3.1424 6.7039 6.7039 7.5151 7.5151 8.1669 8.1669 8.3184 8.3184 8.8725 8.8725 10.1694 10.1694 11.1425 11.1425 11.7090 11.7090 15.7941 15.7941 17.0838 17.0838 17.7778 17.7778 18.0815 18.0815 20.2385 20.2385 20.7046 20.7046 k = 0.0000 0.0000 0.6385 ( 4081 PWs) bands (ev): -41.2440 -41.2440 -21.3596 -21.3596 -19.2282 -19.2282 -18.7315 -18.7315 1.1122 1.1122 1.8568 1.8568 3.1534 3.1534 6.6966 6.6966 7.5137 7.5137 8.1747 8.1747 8.3291 8.3291 8.8773 8.8773 10.1794 10.1794 11.1980 11.1980 11.8184 11.8184 15.6999 15.6999 17.0556 17.0556 17.7931 17.7931 18.0903 18.0903 20.2984 20.2984 20.6028 20.6028 k = 0.0000 0.0000 0.6540 ( 4087 PWs) bands (ev): -41.2438 -41.2438 -21.3596 -21.3596 -19.2295 -19.2295 -18.7329 -18.7329 1.1120 1.1120 1.8618 1.8618 3.1639 3.1639 6.6896 6.6896 7.5099 7.5099 8.1809 8.1809 8.3400 8.3400 8.8865 8.8865 10.1875 10.1875 11.2533 11.2533 11.9331 11.9331 15.6061 15.6061 17.0276 17.0276 17.8090 17.8090 18.1021 18.1021 20.3278 20.3278 20.5138 20.5138 k = 0.0000 0.0000 0.6696 ( 4083 PWs) bands (ev): -41.2435 -41.2435 -21.3596 -21.3596 -19.2308 -19.2308 -18.7343 -18.7343 1.1119 1.1119 1.8669 1.8669 3.1740 3.1740 6.6830 6.6830 7.5037 7.5037 8.1853 8.1853 8.3513 8.3513 8.8999 8.8999 10.1942 10.1942 11.3080 11.3080 12.0530 12.0530 15.5130 15.5130 16.9999 16.9999 17.8253 17.8253 18.1166 18.1166 20.3042 20.3042 20.4539 20.4539 k = 0.0000 0.0000 0.6852 ( 4087 PWs) bands (ev): -41.2433 -41.2433 -21.3596 -21.3596 -19.2321 -19.2321 -18.7356 -18.7356 1.1116 1.1116 1.8719 1.8719 3.1835 3.1835 6.6767 6.6767 7.4955 7.4955 8.1876 8.1876 8.3632 8.3632 8.9171 8.9171 10.1995 10.1995 11.3620 11.3620 12.1777 12.1777 15.4208 15.4208 16.9725 16.9725 17.8420 17.8420 18.1338 18.1338 20.2308 20.2308 20.4135 20.4135 k = 0.0000 0.0000 0.7007 ( 4087 PWs) bands (ev): -41.2431 -41.2431 -21.3596 -21.3596 -19.2333 -19.2333 -18.7369 -18.7369 1.1113 1.1113 1.8771 1.8771 3.1925 3.1925 6.6708 6.6708 7.4854 7.4854 8.1879 8.1879 8.3759 8.3759 8.9377 8.9377 10.2037 10.2037 11.4148 11.4148 12.3073 12.3073 15.3298 15.3298 16.9454 16.9454 17.8591 17.8591 18.1534 18.1534 20.1393 20.1393 20.3567 20.3567 k = 0.0000 0.0000 0.7163 ( 4091 PWs) bands (ev): -41.2429 -41.2429 -21.3596 -21.3596 -19.2344 -19.2344 -18.7382 -18.7382 1.1110 1.1110 1.8822 1.8822 3.2010 3.2010 6.6652 6.6652 7.4739 7.4739 8.1863 8.1863 8.3893 8.3893 8.9612 8.9612 10.2070 10.2070 11.4664 11.4664 12.4413 12.4413 15.2404 15.2404 16.9186 16.9186 17.8766 17.8766 18.1752 18.1752 20.0421 20.0421 20.2704 20.2704 k = 0.0000 0.0000 0.7319 ( 4083 PWs) bands (ev): -41.2427 -41.2427 -21.3596 -21.3596 -19.2356 -19.2356 -18.7394 -18.7394 1.1106 1.1106 1.8872 1.8872 3.2091 3.2091 6.6601 6.6601 7.4611 7.4611 8.1831 8.1831 8.4034 8.4034 8.9869 8.9869 10.2096 10.2096 11.5165 11.5165 12.5798 12.5798 15.1528 15.1528 16.8919 16.8919 17.8943 17.8943 18.1990 18.1990 19.9410 19.9410 20.1569 20.1569 k = 0.0000 0.0000 0.7475 ( 4087 PWs) bands (ev): -41.2425 -41.2425 -21.3596 -21.3596 -19.2367 -19.2367 -18.7405 -18.7405 1.1102 1.1102 1.8922 1.8922 3.2166 3.2166 6.6553 6.6553 7.4473 7.4473 8.1786 8.1786 8.4180 8.4180 9.0143 9.0143 10.2116 10.2116 11.5650 11.5650 12.7223 12.7223 15.0675 15.0675 16.8654 16.8654 17.9121 17.9121 18.2245 18.2245 19.8326 19.8326 20.0265 20.0265 k = 0.0000 0.0000 0.7630 ( 4087 PWs) bands (ev): -41.2423 -41.2423 -21.3596 -21.3596 -19.2377 -19.2377 -18.7416 -18.7416 1.1098 1.1098 1.8971 1.8971 3.2236 3.2236 6.6508 6.6508 7.4328 7.4328 8.1732 8.1732 8.4329 8.4329 9.0430 9.0430 10.2133 10.2133 11.6116 11.6116 12.8688 12.8688 14.9846 14.9846 16.8389 16.8389 17.9297 17.9297 18.2515 18.2515 19.7084 19.7084 19.8951 19.8951 k = 0.0000 0.0000 0.7786 ( 4091 PWs) bands (ev): -41.2422 -41.2422 -21.3596 -21.3596 -19.2387 -19.2387 -18.7427 -18.7427 1.1094 1.1094 1.9019 1.9019 3.2301 3.2301 6.6467 6.6467 7.4180 7.4180 8.1670 8.1670 8.4480 8.4480 9.0722 9.0722 10.2146 10.2146 11.6562 11.6562 13.0190 13.0190 14.9045 14.9045 16.8121 16.8121 17.9468 17.9468 18.2797 18.2797 19.5601 19.5601 19.7778 19.7778 k = 0.0000 0.0000 0.7942 ( 4087 PWs) bands (ev): -41.2420 -41.2420 -21.3596 -21.3596 -19.2396 -19.2396 -18.7437 -18.7437 1.1090 1.1090 1.9065 1.9065 3.2362 3.2362 6.6430 6.6430 7.4029 7.4029 8.1603 8.1603 8.4631 8.4631 9.1017 9.1017 10.2158 10.2158 11.6986 11.6986 13.1726 13.1726 14.8277 14.8277 16.7848 16.7848 17.9627 17.9627 18.3089 18.3089 19.3914 19.3914 19.6768 19.6768 k = 0.0000 0.0000 0.8097 ( 4087 PWs) bands (ev): -41.2419 -41.2419 -21.3596 -21.3596 -19.2405 -19.2405 -18.7446 -18.7446 1.1085 1.1085 1.9110 1.9110 3.2418 3.2418 6.6397 6.6397 7.3879 7.3879 8.1535 8.1535 8.4780 8.4780 9.1309 9.1309 10.2169 10.2169 11.7388 11.7388 13.3294 13.3294 14.7543 14.7543 16.7566 16.7566 17.9765 17.9765 18.3387 18.3387 19.2129 19.2129 19.5865 19.5865 k = 0.0000 0.0000 0.8253 ( 4091 PWs) bands (ev): -41.2417 -41.2417 -21.3596 -21.3596 -19.2413 -19.2413 -18.7455 -18.7455 1.1081 1.1081 1.9152 1.9152 3.2469 3.2469 6.6366 6.6366 7.3732 7.3732 8.1466 8.1466 8.4925 8.4925 9.1594 9.1594 10.2180 10.2180 11.7765 11.7765 13.4891 13.4891 14.6849 14.6849 16.7269 16.7269 17.9866 17.9866 18.3687 18.3687 19.0337 19.0337 19.5030 19.5030 k = 0.0000 0.0000 0.8409 ( 4099 PWs) bands (ev): -41.2416 -41.2416 -21.3596 -21.3596 -19.2420 -19.2420 -18.7463 -18.7463 1.1077 1.1077 1.9192 1.9192 3.2516 3.2516 6.6339 6.6339 7.3590 7.3590 8.1398 8.1398 8.5065 8.5065 9.1869 9.1869 10.2191 10.2191 11.8116 11.8116 13.6510 13.6510 14.6199 14.6199 16.6950 16.6950 17.9900 17.9900 18.3984 18.3984 18.8617 18.8617 19.4244 19.4244 k = 0.0000 0.0000 0.8565 ( 4095 PWs) bands (ev): -41.2415 -41.2415 -21.3596 -21.3596 -19.2427 -19.2427 -18.7471 -18.7471 1.1073 1.1073 1.9230 1.9230 3.2558 3.2558 6.6315 6.6315 7.3454 7.3454 8.1333 8.1333 8.5198 8.5198 9.2130 9.2130 10.2203 10.2203 11.8441 11.8441 13.8145 13.8145 14.5600 14.5600 16.6600 16.6600 17.9820 17.9820 18.4263 18.4263 18.7063 18.7063 19.3498 19.3498 k = 0.0000 0.0000 0.8720 ( 4097 PWs) bands (ev): -41.2414 -41.2414 -21.3596 -21.3596 -19.2434 -19.2434 -18.7477 -18.7477 1.1069 1.1069 1.9265 1.9265 3.2596 3.2596 6.6294 6.6294 7.3326 7.3326 8.1272 8.1272 8.5322 8.5322 9.2373 9.2373 10.2216 10.2216 11.8738 11.8738 13.9783 13.9783 14.5064 14.5064 16.6205 16.6205 17.9549 17.9549 18.4466 18.4466 18.5839 18.5839 19.2788 19.2788 k = 0.0000 0.0000 0.8876 ( 4097 PWs) bands (ev): -41.2413 -41.2413 -21.3596 -21.3596 -19.2440 -19.2440 -18.7483 -18.7483 1.1065 1.1065 1.9296 1.9296 3.2629 3.2629 6.6276 6.6276 7.3208 7.3208 8.1214 8.1214 8.5438 8.5438 9.2598 9.2598 10.2230 10.2230 11.9007 11.9007 14.1385 14.1385 14.4626 14.4626 16.5750 16.5750 17.9008 17.9008 18.4320 18.4320 18.5324 18.5324 19.2110 19.2110 k = 0.0000 0.0000 0.9032 ( 4093 PWs) bands (ev): -41.2412 -41.2412 -21.3596 -21.3596 -19.2445 -19.2445 -18.7489 -18.7489 1.1062 1.1062 1.9325 1.9325 3.2659 3.2659 6.6260 6.6260 7.3100 7.3100 8.1162 8.1162 8.5543 8.5543 9.2800 9.2800 10.2245 10.2245 11.9246 11.9246 14.2758 14.2758 14.4474 14.4474 16.5215 16.5215 17.8199 17.8199 18.3918 18.3918 18.5455 18.5455 19.1465 19.1465 k = 0.0000 0.0000 0.9188 ( 4087 PWs) bands (ev): -41.2411 -41.2411 -21.3596 -21.3596 -19.2449 -19.2449 -18.7494 -18.7494 1.1059 1.1059 1.9350 1.9350 3.2684 3.2684 6.6246 6.6246 7.3005 7.3005 8.1116 8.1116 8.5636 8.5636 9.2978 9.2978 10.2260 10.2260 11.9455 11.9455 14.3187 14.3187 14.5314 14.5314 16.4581 16.4581 17.7239 17.7239 18.3682 18.3682 18.5724 18.5724 19.0851 19.0851 k = 0.0000 0.0000 0.9343 ( 4091 PWs) bands (ev): -41.2410 -41.2410 -21.3596 -21.3596 -19.2453 -19.2453 -18.7498 -18.7498 1.1057 1.1057 1.9372 1.9372 3.2705 3.2705 6.6235 6.6235 7.2923 7.2923 8.1077 8.1077 8.5716 8.5716 9.3131 9.3131 10.2274 10.2274 11.9632 11.9632 14.3010 14.3010 14.6794 14.6794 16.3835 16.3835 17.6276 17.6276 18.3599 18.3599 18.6026 18.6026 19.0268 19.0268 k = 0.0000 0.0000 0.9499 ( 4091 PWs) bands (ev): -41.2410 -41.2410 -21.3596 -21.3596 -19.2456 -19.2456 -18.7501 -18.7501 1.1055 1.1055 1.9389 1.9389 3.2723 3.2723 6.6227 6.6227 7.2854 7.2854 8.1043 8.1043 8.5783 8.5783 9.3258 9.3258 10.2287 10.2287 11.9778 11.9778 14.2774 14.2774 14.8341 14.8341 16.2981 16.2981 17.5419 17.5419 18.3602 18.3602 18.6344 18.6344 18.9718 18.9718 k = 0.0000 0.0000 0.9655 ( 4092 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2458 -19.2458 -18.7504 -18.7504 1.1053 1.1053 1.9403 1.9403 3.2736 3.2736 6.6220 6.6220 7.2800 7.2800 8.1017 8.1017 8.5836 8.5836 9.3357 9.3357 10.2298 10.2298 11.9892 11.9892 14.2569 14.2569 14.9819 14.9819 16.2053 16.2053 17.4729 17.4729 18.3640 18.3640 18.6678 18.6678 18.9199 18.9199 k = 0.0000 0.0000 0.9810 ( 4100 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2460 -19.2460 -18.7505 -18.7505 1.1052 1.1052 1.9413 1.9413 3.2746 3.2746 6.6215 6.6215 7.2761 7.2761 8.0999 8.0999 8.5874 8.5874 9.3429 9.3429 10.2307 10.2307 11.9974 11.9974 14.2417 14.2417 15.1121 15.1121 16.1140 16.1140 17.4232 17.4232 18.3685 18.3685 18.7028 18.7028 18.8713 18.8713 k = 0.0000 0.0000 0.9966 ( 4104 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1051 1.1051 1.9419 1.9419 3.2751 3.2751 6.6212 6.6212 7.2738 7.2738 8.0987 8.0987 8.5897 8.5897 9.3472 9.3472 10.2312 10.2312 12.0023 12.0023 14.2323 14.2323 15.2076 15.2076 16.0412 16.0412 17.3936 17.3936 18.3719 18.3719 18.7393 18.7393 18.8265 18.8265 k = 0.0000 0.0000 1.0122 ( 4098 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1051 1.1051 1.9421 1.9421 3.2753 3.2753 6.6211 6.6211 7.2730 7.2730 8.0983 8.0983 8.5905 8.5905 9.3486 9.3486 10.2314 10.2314 12.0040 12.0040 14.2292 14.2292 15.2443 15.2443 16.0121 16.0121 17.3837 17.3837 18.3731 18.3731 18.7681 18.7681 18.7949 18.7949 k = 0.0000 0.0000 1.0122 ( 4098 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1051 1.1051 1.9421 1.9421 3.2753 3.2753 6.6211 6.6211 7.2730 7.2730 8.0983 8.0983 8.5905 8.5905 9.3486 9.3486 10.2314 10.2314 12.0040 12.0040 14.2292 14.2292 15.2443 15.2443 16.0121 16.0121 17.3837 17.3837 18.3731 18.3731 18.7681 18.7681 18.7949 18.7949 k =-0.0073 0.0129 1.0122 ( 4102 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1053 1.1053 1.9422 1.9422 3.2747 3.2747 6.6217 6.6217 7.2731 7.2731 8.0972 8.0972 8.5905 8.5905 9.3483 9.3483 10.2310 10.2310 11.9982 11.9982 14.2303 14.2303 15.2476 15.2476 16.0133 16.0133 17.3836 17.3836 18.3738 18.3738 18.7668 18.7668 18.7954 18.7954 k =-0.0147 0.0258 1.0122 ( 4098 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2460 -19.2460 -18.7506 -18.7506 1.1057 1.1057 1.9425 1.9425 3.2729 3.2729 6.6232 6.6232 7.2736 7.2736 8.0936 8.0936 8.5907 8.5907 9.3475 9.3475 10.2297 10.2297 11.9810 11.9810 14.2338 14.2338 15.2574 15.2574 16.0168 16.0168 17.3834 17.3834 18.3752 18.3752 18.7629 18.7629 18.7977 18.7977 k =-0.0220 0.0387 1.0122 ( 4084 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2459 -19.2459 -18.7505 -18.7505 1.1065 1.1065 1.9429 1.9429 3.2698 3.2698 6.6259 6.6259 7.2742 7.2742 8.0878 8.0878 8.5910 8.5910 9.3461 9.3461 10.2276 10.2276 11.9526 11.9526 14.2394 14.2394 15.2737 15.2737 16.0226 16.0226 17.3829 17.3829 18.3750 18.3750 18.7565 18.7565 18.8041 18.8041 k =-0.0293 0.0516 1.0122 ( 4082 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2457 -19.2457 -18.7503 -18.7503 1.1075 1.1075 1.9434 1.9434 3.2656 3.2656 6.6295 6.6295 7.2752 7.2752 8.0796 8.0796 8.5914 8.5914 9.3441 9.3441 10.2246 10.2246 11.9136 11.9136 14.2471 14.2471 15.2962 15.2962 16.0308 16.0308 17.3821 17.3821 18.3700 18.3700 18.7477 18.7477 18.8182 18.8182 k =-0.0367 0.0646 1.0122 ( 4092 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2455 -19.2455 -18.7500 -18.7500 1.1089 1.1089 1.9441 1.9441 3.2601 3.2601 6.6341 6.6341 7.2764 7.2764 8.0691 8.0691 8.5920 8.5920 9.3415 9.3415 10.2208 10.2208 11.8647 11.8647 14.2567 14.2567 15.3248 15.3248 16.0412 16.0412 17.3810 17.3810 18.3569 18.3569 18.7367 18.7367 18.8435 18.8435 k =-0.0440 0.0775 1.0122 ( 4092 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2452 -19.2452 -18.7498 -18.7498 1.1105 1.1105 1.9450 1.9450 3.2534 3.2534 6.6398 6.6398 7.2778 7.2778 8.0565 8.0565 8.5927 8.5927 9.3384 9.3384 10.2161 10.2161 11.8066 11.8066 14.2680 14.2680 15.3593 15.3593 16.0538 16.0538 17.3794 17.3794 18.3341 18.3341 18.7234 18.7234 18.8824 18.8824 k =-0.0514 0.0904 1.0122 ( 4092 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2448 -19.2448 -18.7494 -18.7494 1.1125 1.1125 1.9460 1.9460 3.2456 3.2456 6.6463 6.6463 7.2795 7.2795 8.0417 8.0417 8.5938 8.5938 9.3346 9.3346 10.2105 10.2105 11.7403 11.7403 14.2809 14.2809 15.3993 15.3993 16.0684 16.0684 17.3771 17.3771 18.3015 18.3015 18.7079 18.7079 18.9352 18.9352 k =-0.0587 0.1033 1.0122 ( 4100 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2444 -19.2444 -18.7490 -18.7490 1.1147 1.1147 1.9472 1.9472 3.2366 3.2366 6.6538 6.6538 7.2814 7.2814 8.0249 8.0249 8.5950 8.5950 9.3302 9.3302 10.2041 10.2041 11.6665 11.6665 14.2951 14.2951 15.4446 15.4446 16.0851 16.0851 17.3738 17.3738 18.2607 18.2607 18.6903 18.6903 19.0011 19.0011 k =-0.0660 0.1162 1.0122 ( 4100 PWs) bands (ev): -41.2411 -41.2411 -21.3598 -21.3598 -19.2439 -19.2439 -18.7486 -18.7486 1.1172 1.1172 1.9486 1.9486 3.2265 3.2265 6.6620 6.6620 7.2836 7.2836 8.0061 8.0061 8.5966 8.5966 9.3252 9.3252 10.1969 10.1969 11.5863 11.5863 14.3105 14.3105 15.4949 15.4949 16.1036 16.1036 17.3690 17.3690 18.2140 18.2140 18.6708 18.6708 19.0787 19.0787 k =-0.0734 0.1291 1.0122 ( 4100 PWs) bands (ev): -41.2411 -41.2411 -21.3598 -21.3598 -19.2434 -19.2434 -18.7481 -18.7481 1.1199 1.1199 1.9501 1.9501 3.2154 3.2154 6.6711 6.6711 7.2859 7.2859 7.9856 7.9856 8.5985 8.5985 9.3195 9.3195 10.1887 10.1887 11.5004 11.5004 14.3270 14.3270 15.5499 15.5499 16.1239 16.1239 17.3623 17.3623 18.1637 18.1637 18.6494 18.6494 19.1663 19.1663 k =-0.0807 0.1420 1.0122 ( 4100 PWs) bands (ev): -41.2412 -41.2412 -21.3598 -21.3598 -19.2429 -19.2429 -18.7476 -18.7476 1.1230 1.1230 1.9518 1.9518 3.2031 3.2031 6.6808 6.6808 7.2885 7.2885 7.9634 7.9634 8.6008 8.6008 9.3130 9.3130 10.1796 10.1796 11.4099 11.4099 14.3445 14.3445 15.6094 15.6094 16.1455 16.1455 17.3531 17.3531 18.1122 18.1122 18.6262 18.6262 19.2624 19.2624 k =-0.0807 0.1420 1.0122 ( 4100 PWs) bands (ev): -41.2412 -41.2412 -21.3598 -21.3598 -19.2429 -19.2429 -18.7476 -18.7476 1.1230 1.1230 1.9518 1.9518 3.2031 3.2031 6.6808 6.6808 7.2885 7.2885 7.9634 7.9634 8.6008 8.6008 9.3130 9.3130 10.1796 10.1796 11.4099 11.4099 14.3445 14.3445 15.6094 15.6094 16.1455 16.1455 17.3531 17.3531 18.1122 18.1122 18.6262 18.6262 19.2624 19.2624 k =-0.0861 0.1515 1.0013 ( 4108 PWs) bands (ev): -41.2412 -41.2412 -21.3598 -21.3598 -19.2424 -19.2424 -18.7471 -18.7471 1.1253 1.1253 1.9530 1.9530 3.1934 3.1934 6.6884 6.6884 7.2908 7.2908 7.9462 7.9462 8.6026 8.6026 9.3070 9.3070 10.1722 10.1722 11.3416 11.3416 14.3577 14.3577 15.6302 15.6302 16.1815 16.1815 17.3511 17.3511 18.0748 18.0748 18.6099 18.6099 19.3376 19.3376 k =-0.0914 0.1610 0.9904 ( 4104 PWs) bands (ev): -41.2413 -41.2413 -21.3599 -21.3599 -19.2419 -19.2419 -18.7467 -18.7467 1.1279 1.1279 1.9542 1.9542 3.1830 3.1830 6.6962 6.6962 7.2940 7.2940 7.9282 7.9282 8.6048 8.6048 9.2990 9.2990 10.1641 10.1641 11.2729 11.2729 14.3707 14.3707 15.6088 15.6088 16.2485 16.2485 17.3621 17.3621 18.0392 18.0392 18.5958 18.5958 19.4161 19.4161 k =-0.0968 0.1704 0.9795 ( 4106 PWs) bands (ev): -41.2413 -41.2413 -21.3599 -21.3599 -19.2414 -19.2414 -18.7461 -18.7461 1.1305 1.1305 1.9552 1.9552 3.1720 3.1720 6.7043 6.7043 7.2979 7.2979 7.9094 7.9094 8.6075 8.6075 9.2887 9.2887 10.1551 10.1551 11.2045 11.2045 14.3829 14.3829 15.5603 15.5603 16.3277 16.3277 17.3880 17.3880 18.0075 18.0075 18.5836 18.5836 19.4977 19.4977 k =-0.1022 0.1799 0.9687 ( 4104 PWs) bands (ev): -41.2414 -41.2414 -21.3599 -21.3599 -19.2408 -19.2408 -18.7455 -18.7455 1.1332 1.1332 1.9561 1.9561 3.1604 3.1604 6.7125 6.7125 7.3026 7.3026 7.8900 7.8900 8.6109 8.6109 9.2762 9.2762 10.1454 10.1454 11.1374 11.1374 14.3936 14.3936 15.4968 15.4968 16.4036 16.4036 17.4298 17.4298 17.9828 17.9828 18.5733 18.5733 19.5822 19.5822 k =-0.1076 0.1893 0.9578 ( 4105 PWs) bands (ev): -41.2415 -41.2415 -21.3599 -21.3599 -19.2401 -19.2401 -18.7449 -18.7449 1.1361 1.1361 1.9570 1.9570 3.1482 3.1482 6.7208 6.7208 7.3080 7.3080 7.8699 7.8699 8.6150 8.6150 9.2613 9.2613 10.1350 10.1350 11.0721 11.0721 14.4025 14.4025 15.4249 15.4249 16.4668 16.4668 17.4851 17.4851 17.9697 17.9697 18.5650 18.5650 19.6695 19.6695 k =-0.1129 0.1988 0.9469 ( 4105 PWs) bands (ev): -41.2415 -41.2415 -21.3600 -21.3600 -19.2394 -19.2394 -18.7442 -18.7442 1.1390 1.1390 1.9577 1.9577 3.1356 3.1356 6.7291 6.7291 7.3140 7.3140 7.8494 7.8494 8.6201 8.6201 9.2439 9.2439 10.1239 10.1239 11.0092 11.0092 14.4090 14.4090 15.3482 15.3482 16.5135 16.5135 17.5461 17.5461 17.9759 17.9759 18.5595 18.5595 19.7592 19.7592 k =-0.1183 0.2083 0.9360 ( 4108 PWs) bands (ev): -41.2416 -41.2416 -21.3600 -21.3600 -19.2387 -19.2387 -18.7434 -18.7434 1.1420 1.1420 1.9583 1.9583 3.1224 3.1224 6.7373 6.7373 7.3207 7.3207 7.8285 7.8285 8.6261 8.6261 9.2241 9.2241 10.1122 10.1122 10.9491 10.9491 14.4130 14.4130 15.2688 15.2688 16.5434 16.5434 17.5993 17.5993 18.0113 18.0113 18.5587 18.5587 19.8512 19.8512 k =-0.1237 0.2177 0.9251 ( 4114 PWs) bands (ev): -41.2417 -41.2417 -21.3600 -21.3600 -19.2380 -19.2380 -18.7426 -18.7426 1.1450 1.1450 1.9589 1.9589 3.1088 3.1088 6.7453 6.7453 7.3278 7.3278 7.8074 7.8074 8.6331 8.6331 9.2017 9.2017 10.1000 10.1000 10.8922 10.8922 14.4141 14.4141 15.1879 15.1879 16.5588 16.5588 17.6332 17.6332 18.0799 18.0799 18.5666 18.5666 19.9453 19.9453 k =-0.1291 0.2272 0.9142 ( 4108 PWs) bands (ev): -41.2418 -41.2418 -21.3601 -21.3601 -19.2372 -19.2372 -18.7418 -18.7418 1.1481 1.1481 1.9594 1.9594 3.0948 3.0948 6.7530 6.7530 7.3355 7.3355 7.7863 7.7863 8.6412 8.6412 9.1768 9.1768 10.0874 10.0874 10.8388 10.8388 14.4120 14.4120 15.1064 15.1064 16.5623 16.5623 17.6486 17.6486 18.1688 18.1688 18.5920 18.5920 20.0412 20.0412 k =-0.1345 0.2367 0.9034 ( 4108 PWs) bands (ev): -41.2419 -41.2419 -21.3601 -21.3601 -19.2364 -19.2364 -18.7409 -18.7409 1.1512 1.1512 1.9598 1.9598 3.0806 3.0806 6.7604 6.7604 7.3435 7.3435 7.7654 7.7654 8.6503 8.6503 9.1495 9.1495 10.0747 10.0747 10.7889 10.7889 14.4067 14.4067 15.0252 15.0252 16.5567 16.5567 17.6529 17.6529 18.2513 18.2513 18.6506 18.6506 20.1387 20.1387 k =-0.1398 0.2461 0.8925 ( 4116 PWs) bands (ev): -41.2420 -41.2420 -21.3601 -21.3601 -19.2356 -19.2356 -18.7401 -18.7401 1.1544 1.1544 1.9601 1.9601 3.0660 3.0660 6.7672 6.7672 7.3518 7.3518 7.7448 7.7448 8.6604 8.6604 9.1200 9.1200 10.0620 10.0620 10.7425 10.7425 14.3977 14.3977 14.9449 14.9449 16.5441 16.5441 17.6522 17.6522 18.3051 18.3051 18.7563 18.7563 20.2374 20.2374 k =-0.1452 0.2556 0.8816 ( 4110 PWs) bands (ev): -41.2421 -41.2421 -21.3602 -21.3602 -19.2348 -19.2348 -18.7391 -18.7391 1.1575 1.1575 1.9603 1.9603 3.0512 3.0512 6.7735 6.7735 7.3604 7.3604 7.7248 7.7248 8.6715 8.6715 9.0885 9.0885 10.0495 10.0495 10.6997 10.6997 14.3847 14.3847 14.8662 14.8662 16.5264 16.5264 17.6499 17.6499 18.3299 18.3299 18.9035 18.9035 20.3372 20.3372 k =-0.1506 0.2650 0.8707 ( 4106 PWs) bands (ev): -41.2422 -41.2422 -21.3602 -21.3602 -19.2339 -19.2339 -18.7382 -18.7382 1.1606 1.1606 1.9605 1.9605 3.0363 3.0363 6.7791 6.7791 7.3690 7.3690 7.7057 7.7057 8.6834 8.6834 9.0554 9.0554 10.0373 10.0373 10.6601 10.6601 14.3674 14.3674 14.7899 14.7899 16.5047 16.5047 17.6478 17.6478 18.3374 18.3374 19.0773 19.0773 20.4376 20.4376 k =-0.1560 0.2745 0.8598 ( 4102 PWs) bands (ev): -41.2423 -41.2423 -21.3602 -21.3602 -19.2331 -19.2331 -18.7372 -18.7372 1.1637 1.1637 1.9607 1.9607 3.0212 3.0212 6.7839 6.7839 7.3775 7.3775 7.6876 7.6876 8.6960 8.6960 9.0209 9.0209 10.0258 10.0258 10.6236 10.6236 14.3451 14.3451 14.7172 14.7172 16.4803 16.4803 17.6466 17.6466 18.3357 18.3357 19.2672 19.2672 20.5386 20.5386 k =-0.1613 0.2840 0.8490 ( 4101 PWs) bands (ev): -41.2424 -41.2424 -21.3602 -21.3602 -19.2322 -19.2322 -18.7363 -18.7363 1.1667 1.1667 1.9608 1.9608 3.0061 3.0061 6.7879 6.7879 7.3859 7.3859 7.6707 7.6707 8.7090 8.7090 8.9858 8.9858 10.0150 10.0150 10.5898 10.5898 14.3169 14.3169 14.6492 14.6492 16.4539 16.4539 17.6468 17.6468 18.3291 18.3291 19.4673 19.4673 20.6397 20.6397 k =-0.1667 0.2934 0.8381 ( 4103 PWs) bands (ev): -41.2426 -41.2426 -21.3603 -21.3603 -19.2313 -19.2313 -18.7353 -18.7353 1.1697 1.1697 1.9608 1.9608 2.9910 2.9910 6.7910 6.7910 7.3939 7.3939 7.6552 7.6552 8.7221 8.7221 8.9506 8.9506 10.0050 10.0050 10.5586 10.5586 14.2819 14.2819 14.5873 14.5873 16.4262 16.4262 17.6483 17.6483 18.3198 18.3198 19.6743 19.6743 20.7410 20.7410 k =-0.1721 0.3029 0.8272 ( 4101 PWs) bands (ev): -41.2427 -41.2427 -21.3603 -21.3603 -19.2305 -19.2305 -18.7343 -18.7343 1.1726 1.1726 1.9608 1.9608 2.9760 2.9760 6.7932 6.7932 7.4014 7.4014 7.6414 7.6414 8.7343 8.7343 8.9166 8.9166 9.9960 9.9960 10.5297 10.5297 14.2397 14.2397 14.5324 14.5324 16.3977 16.3977 17.6512 17.6512 18.3089 18.3089 19.8859 19.8859 20.8423 20.8423 k =-0.1775 0.3124 0.8163 ( 4097 PWs) bands (ev): -41.2428 -41.2428 -21.3603 -21.3603 -19.2297 -19.2297 -18.7333 -18.7333 1.1754 1.1754 1.9608 1.9608 2.9611 2.9611 6.7943 6.7943 7.4082 7.4082 7.6295 7.6295 8.7440 8.7440 8.8857 8.8857 9.9880 9.9880 10.5026 10.5026 14.1903 14.1903 14.4848 14.4848 16.3688 16.3688 17.6553 17.6553 18.2971 18.2971 20.1004 20.1004 20.9440 20.9440 k =-0.1828 0.3218 0.8054 ( 4098 PWs) bands (ev): -41.2429 -41.2429 -21.3604 -21.3604 -19.2288 -19.2288 -18.7323 -18.7323 1.1781 1.1781 1.9607 1.9607 2.9465 2.9465 6.7946 6.7946 7.4142 7.4142 7.6194 7.6194 8.7475 8.7475 8.8619 8.8619 9.9811 9.9811 10.4773 10.4773 14.1350 14.1350 14.4436 14.4436 16.3399 16.3399 17.6604 17.6604 18.2848 18.2848 20.3158 20.3158 21.0466 21.0466 k =-0.1882 0.3313 0.7945 ( 4096 PWs) bands (ev): -41.2430 -41.2430 -21.3604 -21.3604 -19.2280 -19.2280 -18.7313 -18.7313 1.1807 1.1807 1.9607 1.9607 2.9320 2.9320 6.7938 6.7938 7.4191 7.4191 7.6115 7.6115 8.7397 8.7397 8.8506 8.8506 9.9754 9.9754 10.4534 10.4534 14.0756 14.0756 14.4076 14.4076 16.3114 16.3114 17.6665 17.6665 18.2723 18.2723 20.5295 20.5295 21.1515 21.1515 k =-0.1936 0.3407 0.7837 ( 4100 PWs) bands (ev): -41.2431 -41.2431 -21.3604 -21.3604 -19.2272 -19.2272 -18.7303 -18.7303 1.1832 1.1832 1.9606 1.9606 2.9179 2.9179 6.7922 6.7922 7.4229 7.4229 7.6055 7.6055 8.7199 8.7199 8.8525 8.8525 9.9708 9.9708 10.4307 10.4307 14.0139 14.0139 14.3754 14.3754 16.2833 16.2833 17.6732 17.6732 18.2598 18.2598 20.7378 20.7378 21.2616 21.2616 k =-0.1990 0.3502 0.7728 ( 4108 PWs) bands (ev): -41.2432 -41.2432 -21.3604 -21.3604 -19.2265 -19.2265 -18.7294 -18.7294 1.1855 1.1855 1.9605 1.9605 2.9042 2.9042 6.7897 6.7897 7.4255 7.4255 7.6016 7.6016 8.6935 8.6935 8.8627 8.8627 9.9673 9.9673 10.4091 10.4091 13.9512 13.9512 14.3460 14.3460 16.2561 16.2561 17.6804 17.6804 18.2476 18.2476 20.9341 20.9341 21.3824 21.3824 k =-0.2043 0.3597 0.7619 ( 4110 PWs) bands (ev): -41.2433 -41.2433 -21.3605 -21.3605 -19.2257 -19.2257 -18.7284 -18.7284 1.1878 1.1878 1.9604 1.9604 2.8909 2.8909 6.7865 6.7865 7.4270 7.4270 7.5996 7.5996 8.6648 8.6648 8.8767 8.8767 9.9650 9.9650 10.3884 10.3884 13.8887 13.8887 14.3187 14.3187 16.2297 16.2297 17.6880 17.6880 18.2357 18.2357 21.1093 21.1093 21.5221 21.5221 k =-0.2097 0.3691 0.7510 ( 4114 PWs) bands (ev): -41.2434 -41.2434 -21.3605 -21.3605 -19.2250 -19.2250 -18.7275 -18.7275 1.1899 1.1899 1.9603 1.9603 2.8782 2.8782 6.7827 6.7827 7.4274 7.4274 7.5991 7.5991 8.6360 8.6360 8.8926 8.8926 9.9639 9.9639 10.3684 10.3684 13.8274 13.8274 14.2931 14.2931 16.2045 16.2045 17.6958 17.6958 18.2243 18.2243 21.2557 21.2557 21.6873 21.6873 k =-0.2151 0.3786 0.7401 ( 4110 PWs) bands (ev): -41.2435 -41.2435 -21.3605 -21.3605 -19.2243 -19.2243 -18.7267 -18.7267 1.1919 1.1919 1.9602 1.9602 2.8659 2.8659 6.7783 6.7783 7.4271 7.4271 7.6000 7.6000 8.6082 8.6082 8.9092 8.9092 9.9639 9.9639 10.3490 10.3490 13.7678 13.7678 14.2690 14.2690 16.1804 16.1804 17.7036 17.7036 18.2134 18.2134 21.3742 21.3742 21.8754 21.8754 k =-0.2205 0.3880 0.7292 ( 4112 PWs) bands (ev): -41.2436 -41.2436 -21.3605 -21.3605 -19.2237 -19.2237 -18.7258 -18.7258 1.1937 1.1937 1.9601 1.9601 2.8543 2.8543 6.7735 6.7735 7.4260 7.4260 7.6018 7.6018 8.5819 8.5819 8.9260 8.9260 9.9649 9.9649 10.3303 10.3303 13.7105 13.7105 14.2461 14.2461 16.1576 16.1576 17.7114 17.7114 18.2032 18.2032 21.4721 21.4721 22.0769 22.0769 k =-0.2258 0.3975 0.7184 ( 4110 PWs) bands (ev): -41.2437 -41.2437 -21.3606 -21.3606 -19.2231 -19.2231 -18.7250 -18.7250 1.1954 1.1954 1.9600 1.9600 2.8433 2.8433 6.7685 6.7685 7.4244 7.4244 7.6044 7.6044 8.5574 8.5574 8.9427 8.9427 9.9671 9.9671 10.3120 10.3120 13.6559 13.6559 14.2246 14.2246 16.1363 16.1363 17.7189 17.7189 18.1937 18.1937 21.5560 21.5560 22.2812 22.2812 k =-0.2312 0.4070 0.7075 ( 4110 PWs) bands (ev): -41.2438 -41.2438 -21.3606 -21.3606 -19.2225 -19.2225 -18.7243 -18.7243 1.1969 1.1969 1.9599 1.9599 2.8330 2.8330 6.7633 6.7633 7.4224 7.4224 7.6074 7.6074 8.5350 8.5350 8.9589 8.9589 9.9703 9.9703 10.2943 10.2943 13.6044 13.6044 14.2044 14.2044 16.1163 16.1163 17.7261 17.7261 18.1850 18.1850 21.6297 21.6297 22.4755 22.4755 k =-0.2366 0.4164 0.6966 ( 4112 PWs) bands (ev): -41.2438 -41.2438 -21.3606 -21.3606 -19.2220 -19.2220 -18.7236 -18.7236 1.1984 1.1984 1.9598 1.9598 2.8235 2.8235 6.7581 6.7581 7.4203 7.4203 7.6106 7.6106 8.5147 8.5147 8.9745 8.9745 9.9745 9.9745 10.2769 10.2769 13.5563 13.5563 14.1857 14.1857 16.0980 16.0980 17.7329 17.7329 18.1770 18.1770 21.6952 21.6952 22.6376 22.6376 k =-0.2420 0.4259 0.6857 ( 4106 PWs) bands (ev): -41.2439 -41.2439 -21.3606 -21.3606 -19.2215 -19.2215 -18.7230 -18.7230 1.1996 1.1996 1.9598 1.9598 2.8147 2.8147 6.7531 6.7531 7.4180 7.4180 7.6139 7.6139 8.4965 8.4965 8.9891 8.9891 9.9797 9.9797 10.2601 10.2601 13.5118 13.5118 14.1683 14.1683 16.0812 16.0812 17.7392 17.7392 18.1698 18.1698 21.7536 21.7536 22.7393 22.7393 k =-0.2473 0.4354 0.6748 ( 4110 PWs) bands (ev): -41.2440 -41.2440 -21.3606 -21.3606 -19.2211 -19.2211 -18.7224 -18.7224 1.2007 1.2007 1.9597 1.9597 2.8068 2.8068 6.7482 6.7482 7.4157 7.4157 7.6170 7.6170 8.4805 8.4805 9.0028 9.0028 9.9856 9.9856 10.2438 10.2438 13.4714 13.4714 14.1526 14.1526 16.0660 16.0660 17.7450 17.7450 18.1635 18.1635 21.8054 21.8054 22.7858 22.7858 k =-0.2527 0.4448 0.6639 ( 4114 PWs) bands (ev): -41.2440 -41.2440 -21.3606 -21.3606 -19.2207 -19.2207 -18.7219 -18.7219 1.2017 1.2017 1.9597 1.9597 2.7997 2.7997 6.7437 6.7437 7.4134 7.4134 7.6200 7.6200 8.4666 8.4666 9.0151 9.0151 9.9923 9.9923 10.2280 10.2280 13.4351 13.4351 14.1384 14.1384 16.0526 16.0526 17.7501 17.7501 18.1579 18.1579 21.8509 21.8509 22.8056 22.8056 k =-0.2581 0.4543 0.6531 ( 4112 PWs) bands (ev): -41.2441 -41.2441 -21.3607 -21.3607 -19.2204 -19.2204 -18.7214 -18.7214 1.2026 1.2026 1.9596 1.9596 2.7935 2.7935 6.7396 6.7396 7.4113 7.4113 7.6227 7.6227 8.4547 8.4547 9.0262 9.0262 9.9995 9.9995 10.2130 10.2130 13.4031 13.4031 14.1260 14.1260 16.0408 16.0408 17.7546 17.7546 18.1531 18.1531 21.8903 21.8903 22.8146 22.8146 k =-0.2635 0.4637 0.6422 ( 4108 PWs) bands (ev): -41.2441 -41.2441 -21.3607 -21.3607 -19.2201 -19.2201 -18.7210 -18.7210 1.2033 1.2033 1.9596 1.9596 2.7882 2.7882 6.7361 6.7361 7.4094 7.4094 7.6251 7.6251 8.4449 8.4449 9.0357 9.0357 10.0071 10.0071 10.1990 10.1990 13.3758 13.3758 14.1154 14.1154 16.0309 16.0309 17.7584 17.7584 18.1492 18.1492 21.9235 21.9235 22.8193 22.8193 k =-0.2688 0.4732 0.6313 ( 4106 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2198 -19.2198 -18.7207 -18.7207 1.2038 1.2038 1.9596 1.9596 2.7838 2.7838 6.7330 6.7330 7.4078 7.4078 7.6271 7.6271 8.4369 8.4369 9.0437 9.0437 10.0145 10.0145 10.1862 10.1862 13.3532 13.3532 14.1066 14.1066 16.0226 16.0226 17.7616 17.7616 18.1460 18.1460 21.9506 21.9506 22.8219 22.8219 k =-0.2742 0.4827 0.6204 ( 4108 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2197 -19.2197 -18.7204 -18.7204 1.2043 1.2043 1.9596 1.9596 2.7804 2.7804 6.7306 6.7306 7.4065 7.4065 7.6286 7.6286 8.4309 8.4309 9.0500 9.0500 10.0215 10.0215 10.1752 10.1752 13.3355 13.3355 14.0997 14.0997 16.0162 16.0162 17.7640 17.7640 18.1435 18.1435 21.9716 21.9716 22.8236 22.8236 k =-0.2796 0.4921 0.6095 ( 4110 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2195 -19.2195 -18.7202 -18.7202 1.2046 1.2046 1.9596 1.9596 2.7779 2.7779 6.7288 6.7288 7.4055 7.4055 7.6298 7.6298 8.4266 8.4266 9.0545 9.0545 10.0274 10.0274 10.1664 10.1664 13.3228 13.3228 14.0947 14.0947 16.0117 16.0117 17.7658 17.7658 18.1418 18.1418 21.9867 21.9867 22.8247 22.8247 k =-0.2850 0.5016 0.5987 ( 4108 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2194 -19.2194 -18.7201 -18.7201 1.2048 1.2048 1.9596 1.9596 2.7765 2.7765 6.7278 6.7278 7.4049 7.4049 7.6305 7.6305 8.4240 8.4240 9.0573 9.0573 10.0313 10.0313 10.1607 10.1607 13.3151 13.3151 14.0917 14.0917 16.0089 16.0089 17.7668 17.7668 18.1407 18.1407 21.9956 21.9956 22.8254 22.8254 k =-0.2903 0.5111 0.5878 ( 4119 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2194 -19.2194 -18.7201 -18.7201 1.2048 1.2048 1.9596 1.9596 2.7760 2.7760 6.7274 6.7274 7.4047 7.4047 7.6307 7.6307 8.4231 8.4231 9.0582 9.0582 10.0328 10.0328 10.1586 10.1586 13.3126 13.3126 14.0907 14.0907 16.0080 16.0080 17.7672 17.7672 18.1404 18.1404 21.9986 21.9986 22.8256 22.8256 k =-0.2903 0.5111 0.5878 ( 4119 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2194 -19.2194 -18.7201 -18.7201 1.2048 1.2048 1.9596 1.9596 2.7760 2.7760 6.7274 6.7274 7.4047 7.4047 7.6307 7.6307 8.4231 8.4231 9.0582 9.0582 10.0328 10.0328 10.1586 10.1586 13.3126 13.3126 14.0907 14.0907 16.0080 16.0080 17.7672 17.7672 18.1404 18.1404 21.9986 21.9986 22.8256 22.8256 k =-0.2850 0.5016 0.5769 ( 4115 PWs) bands (ev): -41.2443 -41.2443 -21.3606 -21.3606 -19.2198 -19.2198 -18.7203 -18.7203 1.2004 1.2004 1.9509 1.9509 2.7916 2.7916 6.7381 6.7381 7.4077 7.4077 7.6244 7.6244 8.4561 8.4561 9.0686 9.0686 10.0537 10.0537 10.2335 10.2335 13.1433 13.1433 14.0146 14.0146 16.0795 16.0795 17.7984 17.7984 18.1282 18.1282 21.9536 21.9536 22.7519 22.7519 k =-0.2796 0.4921 0.5660 ( 4107 PWs) bands (ev): -41.2443 -41.2443 -21.3606 -21.3606 -19.2201 -19.2201 -18.7204 -18.7204 1.1960 1.1960 1.9423 1.9423 2.8068 2.8068 6.7475 6.7475 7.4113 7.4113 7.6185 7.6185 8.4867 8.4867 9.0788 9.0788 10.0704 10.0704 10.3127 10.3127 12.9759 12.9759 13.9437 13.9437 16.1525 16.1525 17.8294 17.8294 18.1178 18.1178 21.9041 21.9041 22.6652 22.6652 k =-0.2742 0.4827 0.5551 ( 4107 PWs) bands (ev): -41.2443 -41.2443 -21.3605 -21.3605 -19.2204 -19.2204 -18.7204 -18.7204 1.1915 1.1915 1.9340 1.9340 2.8213 2.8213 6.7558 6.7558 7.4155 7.4155 7.6126 7.6126 8.5152 8.5152 9.0887 9.0887 10.0847 10.0847 10.3931 10.3931 12.8112 12.8112 13.8785 13.8785 16.2266 16.2266 17.8598 17.8598 18.1097 18.1097 21.8506 21.8506 22.5668 22.5668 k =-0.2688 0.4732 0.5442 ( 4103 PWs) bands (ev): -41.2444 -41.2444 -21.3604 -21.3604 -19.2206 -19.2206 -18.7204 -18.7204 1.1871 1.1871 1.9258 1.9258 2.8352 2.8352 6.7630 6.7630 7.4205 7.4205 7.6067 7.6067 8.5419 8.5419 9.0982 9.0982 10.0974 10.0974 10.4728 10.4728 12.6498 12.6498 13.8199 13.8199 16.3013 16.3013 17.8886 17.8886 18.1049 18.1049 21.7932 21.7932 22.4589 22.4589 k =-0.2635 0.4637 0.5333 ( 4097 PWs) bands (ev): -41.2445 -41.2445 -21.3604 -21.3604 -19.2207 -19.2207 -18.7203 -18.7203 1.1827 1.1827 1.9179 1.9179 2.8484 2.8484 6.7691 6.7691 7.4262 7.4262 7.6006 7.6006 8.5668 8.5668 9.1072 9.1072 10.1087 10.1087 10.5501 10.5501 12.4922 12.4922 13.7688 13.7688 16.3764 16.3764 17.9149 17.9149 18.1048 18.1048 21.7322 21.7322 22.3438 22.3438 k =-0.2581 0.4543 0.5225 ( 4101 PWs) bands (ev): -41.2445 -41.2445 -21.3603 -21.3603 -19.2207 -19.2207 -18.7202 -18.7202 1.1783 1.1783 1.9102 1.9102 2.8608 2.8608 6.7743 6.7743 7.4327 7.4327 7.5941 7.5941 8.5903 8.5903 9.1156 9.1156 10.1186 10.1186 10.6234 10.6234 12.3391 12.3391 13.7263 13.7263 16.4512 16.4512 17.9366 17.9366 18.1114 18.1114 21.6677 21.6677 22.2238 22.2238 k =-0.2527 0.4448 0.5116 ( 4099 PWs) bands (ev): -41.2446 -41.2446 -21.3603 -21.3603 -19.2206 -19.2206 -18.7200 -18.7200 1.1740 1.1740 1.9027 1.9027 2.8724 2.8724 6.7787 6.7787 7.4400 7.4400 7.5872 7.5872 8.6125 8.6125 9.1232 9.1232 10.1272 10.1272 10.6912 10.6912 12.1908 12.1908 13.6939 13.6939 16.5253 16.5253 17.9523 17.9523 18.1266 18.1266 21.5998 21.5998 22.1011 22.1011 k =-0.2473 0.4353 0.5007 ( 4099 PWs) bands (ev): -41.2447 -41.2447 -21.3602 -21.3602 -19.2205 -19.2205 -18.7198 -18.7198 1.1698 1.1698 1.8954 1.8954 2.8832 2.8832 6.7824 6.7824 7.4480 7.4480 7.5797 7.5797 8.6336 8.6336 9.1300 9.1300 10.1341 10.1341 10.7518 10.7518 12.0478 12.0478 13.6727 13.6727 16.5981 16.5981 17.9617 17.9617 18.1509 18.1509 21.5284 21.5284 21.9776 21.9776 k =-0.2420 0.4259 0.4898 ( 4107 PWs) bands (ev): -41.2448 -41.2448 -21.3602 -21.3602 -19.2203 -19.2203 -18.7195 -18.7195 1.1657 1.1657 1.8883 1.8883 2.8931 2.8931 6.7856 6.7856 7.4567 7.4567 7.5715 7.5715 8.6536 8.6536 9.1357 9.1357 10.1393 10.1393 10.8038 10.8038 11.9106 11.9106 13.6641 13.6641 16.6693 16.6693 17.9659 17.9659 18.1832 18.1832 21.4536 21.4536 21.8552 21.8552 k =-0.2366 0.4164 0.4789 ( 4103 PWs) bands (ev): -41.2449 -41.2449 -21.3601 -21.3601 -19.2200 -19.2200 -18.7192 -18.7192 1.1617 1.1617 1.8815 1.8815 2.9020 2.9020 6.7883 6.7883 7.4660 7.4660 7.5626 7.5626 8.6726 8.6726 9.1403 9.1403 10.1425 10.1425 10.8460 10.8460 11.7799 11.7799 13.6692 13.6692 16.7381 16.7381 17.9669 17.9669 18.2217 18.2217 21.3751 21.3751 21.7357 21.7357 k =-0.2312 0.4069 0.4680 ( 4103 PWs) bands (ev): -41.2450 -41.2450 -21.3601 -21.3601 -19.2197 -19.2197 -18.7188 -18.7188 1.1578 1.1578 1.8749 1.8749 2.9101 2.9101 6.7906 6.7906 7.4758 7.4758 7.5530 7.5530 8.6907 8.6907 9.1437 9.1437 10.1434 10.1434 10.8773 10.8773 11.6562 11.6562 13.6887 13.6887 16.8042 16.8042 17.9661 17.9661 18.2648 18.2648 21.2929 21.2929 21.6208 21.6208 k =-0.2258 0.3975 0.4572 ( 4095 PWs) bands (ev): -41.2452 -41.2452 -21.3600 -21.3600 -19.2192 -19.2192 -18.7183 -18.7183 1.1540 1.1540 1.8686 1.8686 2.9171 2.9171 6.7926 6.7926 7.4859 7.4859 7.5427 7.5427 8.7078 8.7078 9.1459 9.1459 10.1416 10.1416 10.8972 10.8972 11.5402 11.5402 13.7232 13.7232 16.8670 16.8670 17.9646 17.9646 18.3114 18.3114 21.2069 21.2069 21.5118 21.5118 k =-0.2204 0.3880 0.4463 ( 4095 PWs) bands (ev): -41.2453 -41.2453 -21.3600 -21.3600 -19.2187 -19.2187 -18.7178 -18.7178 1.1503 1.1503 1.8625 1.8625 2.9232 2.9232 6.7945 6.7945 7.4957 7.4957 7.5324 7.5324 8.7238 8.7238 9.1469 9.1469 10.1368 10.1368 10.9054 10.9054 11.4325 11.4325 13.7726 13.7726 16.9261 16.9261 17.9628 17.9628 18.3604 18.3604 21.1178 21.1178 21.4100 21.4100 k =-0.2151 0.3786 0.4354 ( 4095 PWs) bands (ev): -41.2454 -41.2454 -21.3599 -21.3599 -19.2182 -19.2182 -18.7172 -18.7172 1.1468 1.1468 1.8567 1.8567 2.9283 2.9283 6.7963 6.7963 7.5024 7.5024 7.5248 7.5248 8.7386 8.7386 9.1467 9.1467 10.1284 10.1284 10.9025 10.9025 11.3337 11.3337 13.8367 13.8367 16.9813 16.9813 17.9613 17.9613 18.4106 18.4106 21.0266 21.0266 21.3158 21.3158 k =-0.2097 0.3691 0.4245 ( 4091 PWs) bands (ev): -41.2456 -41.2456 -21.3599 -21.3599 -19.2175 -19.2175 -18.7166 -18.7166 1.1433 1.1433 1.8511 1.8511 2.9323 2.9323 6.7981 6.7981 7.4977 7.4977 7.5279 7.5279 8.7518 8.7518 9.1455 9.1455 10.1160 10.1160 10.8893 10.8893 11.2444 11.2444 13.9145 13.9145 17.0323 17.0323 17.9601 17.9601 18.4608 18.4608 20.9348 20.9348 21.2296 21.2296 k =-0.2043 0.3596 0.4136 ( 4091 PWs) bands (ev): -41.2458 -41.2458 -21.3599 -21.3599 -19.2168 -19.2168 -18.7159 -18.7159 1.1401 1.1401 1.8457 1.8457 2.9353 2.9353 6.7999 6.7999 7.4854 7.4854 7.5381 7.5381 8.7630 8.7630 9.1436 9.1436 10.0991 10.0991 10.8674 10.8674 11.1645 11.1645 14.0050 14.0050 17.0790 17.0790 17.9594 17.9594 18.5093 18.5093 20.8443 20.8443 21.1516 21.1516 k =-0.1989 0.3502 0.4027 ( 4091 PWs) bands (ev): -41.2459 -41.2459 -21.3598 -21.3598 -19.2161 -19.2161 -18.7152 -18.7152 1.1369 1.1369 1.8407 1.8407 2.9373 2.9373 6.8018 6.8018 7.4707 7.4707 7.5502 7.5502 8.7717 8.7717 9.1414 9.1414 10.0775 10.0775 10.8390 10.8390 11.0935 11.0935 14.1070 14.1070 17.1214 17.1214 17.9594 17.9594 18.5542 18.5542 20.7565 20.7565 21.0826 21.0826 k =-0.1936 0.3407 0.3918 ( 4087 PWs) bands (ev): -41.2461 -41.2461 -21.3598 -21.3598 -19.2152 -19.2152 -18.7145 -18.7145 1.1339 1.1339 1.8359 1.8359 2.9383 2.9383 6.8039 6.8039 7.4546 7.4546 7.5629 7.5629 8.7772 8.7772 9.1394 9.1394 10.0509 10.0509 10.8068 10.8068 11.0301 11.0301 14.2193 14.2193 17.1597 17.1597 17.9601 17.9601 18.5933 18.5933 20.6725 20.6725 21.0240 21.0240 k =-0.1882 0.3312 0.3810 ( 4087 PWs) bands (ev): -41.2463 -41.2463 -21.3598 -21.3598 -19.2144 -19.2144 -18.7137 -18.7137 1.1310 1.1310 1.8313 1.8313 2.9382 2.9382 6.8061 6.8061 7.4375 7.4375 7.5762 7.5762 8.7788 8.7788 9.1385 9.1385 10.0197 10.0197 10.7731 10.7731 10.9730 10.9730 14.3404 14.3404 17.1939 17.1939 17.9614 17.9614 18.6243 18.6243 20.5925 20.5925 20.9782 20.9782 k =-0.1828 0.3218 0.3701 ( 4091 PWs) bands (ev): -41.2464 -41.2464 -21.3597 -21.3597 -19.2134 -19.2134 -18.7128 -18.7128 1.1282 1.1282 1.8270 1.8270 2.9372 2.9372 6.8085 6.8085 7.4195 7.4195 7.5897 7.5897 8.7757 8.7757 9.1392 9.1392 9.9841 9.9841 10.7397 10.7397 10.9214 10.9214 14.4693 14.4693 17.2244 17.2244 17.9634 17.9634 18.6450 18.6450 20.5158 20.5158 20.9479 20.9479 k =-0.1774 0.3123 0.3592 ( 4087 PWs) bands (ev): -41.2466 -41.2466 -21.3597 -21.3597 -19.2125 -19.2125 -18.7119 -18.7119 1.1256 1.1256 1.8229 1.8229 2.9352 2.9352 6.8111 6.8111 7.4006 7.4006 7.6035 7.6035 8.7675 8.7675 9.1423 9.1423 9.9450 9.9450 10.7069 10.7069 10.8748 10.8748 14.6047 14.6047 17.2514 17.2514 17.9661 17.9661 18.6536 18.6536 20.4414 20.4414 20.9360 20.9360 k =-0.1721 0.3028 0.3483 ( 4087 PWs) bands (ev): -41.2468 -41.2468 -21.3597 -21.3597 -19.2115 -19.2115 -18.7110 -18.7110 1.1231 1.1231 1.8191 1.8191 2.9322 2.9322 6.8139 6.8139 7.3810 7.3810 7.6175 7.6175 8.7537 8.7537 9.1480 9.1480 9.9031 9.9031 10.6746 10.6746 10.8337 10.8337 14.7455 14.7455 17.2752 17.2752 17.9694 17.9694 18.6491 18.6491 20.3681 20.3681 20.9448 20.9448 k =-0.1667 0.2934 0.3374 ( 4087 PWs) bands (ev): -41.2470 -41.2470 -21.3597 -21.3597 -19.2104 -19.2104 -18.7101 -18.7101 1.1207 1.1207 1.8156 1.8156 2.9283 2.9283 6.8169 6.8169 7.3606 7.3606 7.6318 7.6318 8.7346 8.7346 9.1567 9.1567 9.8592 9.8592 10.6415 10.6415 10.7988 10.7988 14.8908 14.8908 17.2961 17.2961 17.9734 17.9734 18.6314 18.6314 20.2951 20.2951 20.9752 20.9752 k =-0.1613 0.2839 0.3265 ( 4071 PWs) bands (ev): -41.2472 -41.2472 -21.3596 -21.3596 -19.2093 -19.2093 -18.7091 -18.7091 1.1185 1.1185 1.8123 1.8123 2.9235 2.9235 6.8201 6.8201 7.3397 7.3397 7.6461 7.6461 8.7104 8.7104 9.1680 9.1680 9.8141 9.8141 10.6070 10.6070 10.7706 10.7706 15.0397 15.0397 17.3143 17.3143 17.9780 17.9780 18.6012 18.6012 20.2221 20.2221 21.0267 21.0267 k =-0.1559 0.2745 0.3157 ( 4077 PWs) bands (ev): -41.2474 -41.2474 -21.3596 -21.3596 -19.2082 -19.2082 -18.7081 -18.7081 1.1163 1.1163 1.8092 1.8092 2.9179 2.9179 6.8234 6.8234 7.3183 7.3183 7.6606 7.6606 8.6818 8.6818 9.1816 9.1816 9.7684 9.7684 10.5709 10.5709 10.7490 10.7490 15.1912 15.1912 17.3301 17.3301 17.9831 17.9831 18.5600 18.5600 20.1490 20.1490 21.0980 21.0980 k =-0.1506 0.2650 0.3048 ( 4083 PWs) bands (ev): -41.2476 -41.2476 -21.3596 -21.3596 -19.2071 -19.2071 -18.7070 -18.7070 1.1142 1.1142 1.8064 1.8064 2.9115 2.9115 6.8269 6.8269 7.2964 7.2964 7.6752 7.6752 8.6497 8.6497 9.1973 9.1973 9.7224 9.7224 10.5336 10.5336 10.7331 10.7331 15.3447 15.3447 17.3438 17.3438 17.9888 17.9888 18.5096 18.5096 20.0761 20.0761 21.1870 21.1870 k =-0.1452 0.2555 0.2939 ( 4087 PWs) bands (ev): -41.2478 -41.2478 -21.3596 -21.3596 -19.2060 -19.2060 -18.7060 -18.7060 1.1122 1.1122 1.8038 1.8038 2.9044 2.9044 6.8305 6.8305 7.2742 7.2742 7.6899 7.6899 8.6146 8.6146 9.2146 9.2146 9.6766 9.6766 10.4962 10.4962 10.7216 10.7216 15.4994 15.4994 17.3556 17.3556 17.9949 17.9949 18.4518 18.4518 20.0038 20.0038 21.2913 21.2913 k =-0.1398 0.2461 0.2830 ( 4083 PWs) bands (ev): -41.2480 -41.2480 -21.3596 -21.3596 -19.2048 -19.2048 -18.7049 -18.7049 1.1104 1.1104 1.8014 1.8014 2.8966 2.8966 6.8343 6.8343 7.2517 7.2517 7.7046 7.7046 8.5775 8.5775 9.2330 9.2330 9.6312 9.6312 10.4593 10.4593 10.7137 10.7137 15.6545 15.6545 17.3657 17.3657 18.0014 18.0014 18.3887 18.3887 19.9324 19.9324 21.4089 21.4089 k =-0.1344 0.2366 0.2721 ( 4089 PWs) bands (ev): -41.2482 -41.2482 -21.3596 -21.3596 -19.2037 -19.2037 -18.7038 -18.7038 1.1086 1.1086 1.7992 1.7992 2.8882 2.8882 6.8380 6.8380 7.2290 7.2290 7.7193 7.7193 8.5388 8.5388 9.2523 9.2523 9.5863 9.5863 10.4236 10.4236 10.7085 10.7085 15.8093 15.8093 17.3743 17.3743 18.0079 18.0079 18.3221 18.3221 19.8624 19.8624 21.5377 21.5377 k =-0.1290 0.2271 0.2612 ( 4087 PWs) bands (ev): -41.2484 -41.2484 -21.3596 -21.3596 -19.2025 -19.2025 -18.7027 -18.7027 1.1069 1.1069 1.7972 1.7972 2.8793 2.8793 6.8419 6.8419 7.2063 7.2063 7.7340 7.7340 8.4994 8.4994 9.2719 9.2719 9.5423 9.5423 10.3894 10.3894 10.7053 10.7053 15.9630 15.9630 17.3815 17.3815 18.0142 18.0142 18.2536 18.2536 19.7943 19.7943 21.6757 21.6757 k =-0.1237 0.2177 0.2503 ( 4075 PWs) bands (ev): -41.2486 -41.2486 -21.3595 -21.3595 -19.2013 -19.2013 -18.7016 -18.7016 1.1052 1.1052 1.7955 1.7955 2.8700 2.8700 6.8457 6.8457 7.1836 7.1836 7.7486 7.7486 8.4597 8.4597 9.2913 9.2913 9.4995 9.4995 10.3571 10.3571 10.7037 10.7037 16.1149 16.1149 17.3875 17.3875 18.0193 18.0193 18.1855 18.1855 19.7283 19.7283 21.8213 21.8213 k =-0.1183 0.2082 0.2395 ( 4083 PWs) bands (ev): -41.2488 -41.2488 -21.3595 -21.3595 -19.2002 -19.2002 -18.7005 -18.7005 1.1036 1.1036 1.7939 1.7939 2.8602 2.8602 6.8494 6.8494 7.1611 7.1611 7.7632 7.7632 8.4202 8.4202 9.3095 9.3095 9.4588 9.4588 10.3266 10.3266 10.7033 10.7033 16.2641 16.2641 17.3925 17.3925 18.0192 18.0192 18.1227 18.1227 19.6651 19.6651 21.9731 21.9731 k =-0.1129 0.1987 0.2286 ( 4099 PWs) bands (ev): -41.2490 -41.2490 -21.3595 -21.3595 -19.1991 -19.1991 -18.6995 -18.6995 1.1021 1.1021 1.7925 1.7925 2.8502 2.8502 6.8530 6.8530 7.1388 7.1388 7.7776 7.7776 8.3813 8.3813 9.3238 9.3238 9.4230 9.4230 10.2981 10.2981 10.7039 10.7039 16.4099 16.4099 17.3966 17.3966 17.9988 17.9988 18.0810 18.0810 19.6051 19.6051 22.1296 22.1296 k =-0.1075 0.1893 0.2177 ( 4093 PWs) bands (ev): -41.2492 -41.2492 -21.3595 -21.3595 -19.1979 -19.1979 -18.6984 -18.6984 1.1007 1.1007 1.7913 1.7913 2.8399 2.8399 6.8565 6.8565 7.1169 7.1169 7.7919 7.7919 8.3433 8.3433 9.3251 9.3251 9.4008 9.4008 10.2715 10.2715 10.7053 10.7053 16.5513 16.5513 17.3999 17.3999 17.9476 17.9476 18.0719 18.0719 19.5487 19.5487 22.2893 22.2893 k =-0.1022 0.1798 0.2068 ( 4091 PWs) bands (ev): -41.2493 -41.2493 -21.3595 -21.3595 -19.1969 -19.1969 -18.6973 -18.6973 1.0993 1.0993 1.7902 1.7902 2.8294 2.8294 6.8598 6.8598 7.0954 7.0954 7.8060 7.8060 8.3066 8.3066 9.3041 9.3041 9.4019 9.4019 10.2468 10.2468 10.7074 10.7074 16.6871 16.6871 17.4026 17.4026 17.8859 17.8859 18.0757 18.0757 19.4964 19.4964 22.4507 22.4507 k =-0.0968 0.1704 0.1959 ( 4087 PWs) bands (ev): -41.2495 -41.2495 -21.3595 -21.3595 -19.1958 -19.1958 -18.6963 -18.6963 1.0980 1.0980 1.7893 1.7893 2.8190 2.8190 6.8628 6.8628 7.0746 7.0746 7.8198 7.8198 8.2712 8.2712 9.2712 9.2712 9.4155 9.4155 10.2239 10.2239 10.7099 10.7099 16.8161 16.8161 17.4050 17.4050 17.8238 17.8238 18.0828 18.0828 19.4488 19.4488 22.6119 22.6119 k =-0.0914 0.1609 0.1850 ( 4093 PWs) bands (ev): -41.2497 -41.2497 -21.3595 -21.3595 -19.1948 -19.1948 -18.6953 -18.6953 1.0967 1.0967 1.7885 1.7885 2.8085 2.8085 6.8654 6.8654 7.0546 7.0546 7.8334 7.8334 8.2375 8.2375 9.2356 9.2356 9.4326 9.4326 10.2027 10.2027 10.7128 10.7128 16.9366 16.9366 17.4074 17.4074 17.7643 17.7643 18.0912 18.0912 19.4064 19.4064 22.7706 22.7706 k =-0.0860 0.1514 0.1742 ( 4095 PWs) bands (ev): -41.2499 -41.2499 -21.3595 -21.3595 -19.1938 -19.1938 -18.6943 -18.6943 1.0955 1.0955 1.7879 1.7879 2.7981 2.7981 6.8676 6.8676 7.0354 7.0354 7.8467 7.8467 8.2055 8.2055 9.1999 9.1999 9.4506 9.4506 10.1831 10.1831 10.7161 10.7161 17.0461 17.0461 17.4105 17.4105 17.7093 17.7093 18.1001 18.1001 19.3697 19.3697 22.9233 22.9233 k =-0.0807 0.1420 0.1633 ( 4095 PWs) bands (ev): -41.2500 -41.2500 -21.3595 -21.3595 -19.1928 -19.1928 -18.6933 -18.6933 1.0944 1.0944 1.7873 1.7873 2.7879 2.7879 6.8693 6.8693 7.0174 7.0174 7.8595 7.8595 8.1754 8.1754 9.1651 9.1651 9.4686 9.4686 10.1650 10.1650 10.7195 10.7195 17.1409 17.1409 17.4159 17.4159 17.6609 17.6609 18.1092 18.1092 19.3393 19.3393 23.0655 23.0655 k =-0.0753 0.1325 0.1524 ( 4099 PWs) bands (ev): -41.2502 -41.2502 -21.3595 -21.3595 -19.1919 -19.1919 -18.6924 -18.6924 1.0933 1.0933 1.7869 1.7869 2.7780 2.7780 6.8703 6.8703 7.0006 7.0006 7.8719 7.8719 8.1473 8.1473 9.1317 9.1317 9.4861 9.4861 10.1484 10.1484 10.7231 10.7231 17.2145 17.2145 17.4257 17.4257 17.6227 17.6227 18.1183 18.1183 19.3154 19.3154 23.1912 23.1912 k =-0.0699 0.1230 0.1415 ( 4101 PWs) bands (ev): -41.2503 -41.2503 -21.3595 -21.3595 -19.1910 -19.1910 -18.6915 -18.6915 1.0922 1.0922 1.7865 1.7865 2.7684 2.7684 6.8705 6.8705 6.9853 6.9853 7.8838 7.8838 8.1212 8.1212 9.0998 9.0998 9.5029 9.5029 10.1332 10.1332 10.7268 10.7268 17.2594 17.2594 17.4399 17.4399 17.6018 17.6018 18.1273 18.1273 19.2986 19.2986 23.2946 23.2946 k =-0.0645 0.1136 0.1306 ( 4103 PWs) bands (ev): -41.2505 -41.2505 -21.3595 -21.3595 -19.1902 -19.1902 -18.6907 -18.6907 1.0913 1.0913 1.7863 1.7863 2.7592 2.7592 6.8696 6.8696 6.9718 6.9718 7.8950 7.8950 8.0972 8.0972 9.0696 9.0696 9.5188 9.5188 10.1193 10.1193 10.7305 10.7305 17.2753 17.2753 17.4492 17.4492 17.6079 17.6079 18.1361 18.1361 19.2888 19.2888 23.3731 23.3731 k =-0.0591 0.1041 0.1197 ( 4111 PWs) bands (ev): -41.2506 -41.2506 -21.3595 -21.3595 -19.1895 -19.1895 -18.6899 -18.6899 1.0903 1.0903 1.7860 1.7860 2.7505 2.7505 6.8676 6.8676 6.9603 6.9603 7.9056 7.9056 8.0753 8.0753 9.0414 9.0414 9.5338 9.5338 10.1067 10.1067 10.7342 10.7342 17.2708 17.2708 17.4474 17.4474 17.6383 17.6383 18.1445 18.1445 19.2858 19.2858 23.4292 23.4292 k =-0.0538 0.0946 0.1088 ( 4103 PWs) bands (ev): -41.2507 -41.2507 -21.3595 -21.3595 -19.1888 -19.1888 -18.6892 -18.6892 1.0895 1.0895 1.7859 1.7859 2.7423 2.7423 6.8644 6.8644 6.9509 6.9509 7.9154 7.9154 8.0556 8.0556 9.0152 9.0152 9.5478 9.5478 10.0952 10.0952 10.7377 10.7377 17.2546 17.2546 17.4410 17.4410 17.6780 17.6780 18.1526 18.1526 19.2892 19.2892 23.4681 23.4681 k =-0.0484 0.0852 0.0980 ( 4107 PWs) bands (ev): -41.2508 -41.2508 -21.3595 -21.3595 -19.1881 -19.1881 -18.6885 -18.6885 1.0887 1.0887 1.7858 1.7858 2.7347 2.7347 6.8601 6.8601 6.9436 6.9436 7.9243 7.9243 8.0382 8.0382 8.9911 8.9911 9.5606 9.5606 10.0849 10.0849 10.7412 10.7412 17.2327 17.2327 17.4347 17.4347 17.7170 17.7170 18.1601 18.1601 19.2981 19.2981 23.4952 23.4952 k =-0.0430 0.0757 0.0871 ( 4103 PWs) bands (ev): -41.2509 -41.2509 -21.3595 -21.3595 -19.1876 -19.1876 -18.6879 -18.6879 1.0880 1.0880 1.7857 1.7857 2.7277 2.7277 6.8548 6.8548 6.9382 6.9382 7.9321 7.9321 8.0231 8.0231 8.9693 8.9693 9.5722 9.5722 10.0758 10.0758 10.7444 10.7444 17.2087 17.2087 17.4297 17.4297 17.7513 17.7513 18.1671 18.1671 19.3114 19.3114 23.5142 23.5142 k =-0.0376 0.0662 0.0762 ( 4107 PWs) bands (ev): -41.2510 -41.2510 -21.3595 -21.3595 -19.1870 -19.1870 -18.6873 -18.6873 1.0873 1.0873 1.7856 1.7856 2.7215 2.7215 6.8491 6.8491 6.9344 6.9344 7.9385 7.9385 8.0104 8.0104 8.9499 8.9499 9.5825 9.5825 10.0677 10.0677 10.7474 10.7474 17.1849 17.1849 17.4260 17.4260 17.7798 17.7798 18.1734 18.1734 19.3277 19.3277 23.5277 23.5277 k =-0.0323 0.0568 0.0653 ( 4107 PWs) bands (ev): -41.2511 -41.2511 -21.3595 -21.3595 -19.1866 -19.1866 -18.6869 -18.6869 1.0868 1.0868 1.7856 1.7856 2.7160 2.7160 6.8433 6.8433 6.9318 6.9318 7.9432 7.9432 8.0005 8.0005 8.9328 8.9328 9.5916 9.5916 10.0608 10.0608 10.7501 10.7501 17.1629 17.1629 17.4231 17.4231 17.8024 17.8024 18.1791 18.1791 19.3456 19.3456 23.5374 23.5374 k =-0.0269 0.0473 0.0544 ( 4111 PWs) bands (ev): -41.2511 -41.2511 -21.3595 -21.3595 -19.1862 -19.1862 -18.6865 -18.6865 1.0863 1.0863 1.7856 1.7856 2.7113 2.7113 6.8379 6.8379 6.9300 6.9300 7.9460 7.9460 7.9935 7.9935 8.9183 8.9183 9.5993 9.5993 10.0549 10.0549 10.7524 10.7524 17.1433 17.1433 17.4209 17.4209 17.8198 17.8198 18.1840 18.1840 19.3636 19.3636 23.5444 23.5444 k =-0.0215 0.0379 0.0435 ( 4115 PWs) bands (ev): -41.2512 -41.2512 -21.3595 -21.3595 -19.1859 -19.1859 -18.6861 -18.6861 1.0859 1.0859 1.7856 1.7856 2.7073 2.7073 6.8332 6.8332 6.9288 6.9288 7.9468 7.9468 7.9895 7.9895 8.9063 8.9063 9.6057 9.6057 10.0502 10.0502 10.7544 10.7544 17.1268 17.1268 17.4193 17.4193 17.8328 17.8328 18.1881 18.1881 19.3803 19.3803 23.5493 23.5493 k =-0.0161 0.0284 0.0327 ( 4115 PWs) bands (ev): -41.2512 -41.2512 -21.3595 -21.3595 -19.1856 -19.1856 -18.6858 -18.6858 1.0856 1.0856 1.7856 1.7856 2.7043 2.7043 6.8293 6.8293 6.9280 6.9280 7.9460 7.9460 7.9878 7.9878 8.8969 8.8969 9.6106 9.6106 10.0465 10.0465 10.7559 10.7559 17.1137 17.1137 17.4180 17.4180 17.8420 17.8420 18.1913 18.1913 19.3946 19.3946 23.5528 23.5528 k =-0.0108 0.0189 0.0218 ( 4119 PWs) bands (ev): -41.2513 -41.2513 -21.3595 -21.3595 -19.1855 -19.1855 -18.6857 -18.6857 1.0854 1.0854 1.7856 1.7856 2.7021 2.7021 6.8264 6.8264 6.9275 6.9275 7.9447 7.9447 7.9874 7.9874 8.8901 8.8901 9.6142 9.6142 10.0438 10.0438 10.7571 10.7571 17.1042 17.1042 17.4172 17.4172 17.8481 17.8481 18.1936 18.1936 19.4056 19.4056 23.5550 23.5550 k =-0.0054 0.0095 0.0109 ( 4117 PWs) bands (ev): -41.2513 -41.2513 -21.3595 -21.3595 -19.1854 -19.1854 -18.6855 -18.6855 1.0852 1.0852 1.7856 1.7856 2.7007 2.7007 6.8246 6.8246 6.9273 6.9273 7.9436 7.9436 7.9874 7.9874 8.8861 8.8861 9.6163 9.6163 10.0422 10.0422 10.7578 10.7578 17.0984 17.0984 17.4167 17.4167 17.8516 17.8516 18.1951 18.1951 19.4124 19.4124 23.5563 23.5563 k = 0.0000 0.0000 0.0000 ( 4103 PWs) bands (ev): -41.2513 -41.2513 -21.3595 -21.3595 -19.1853 -19.1853 -18.6855 -18.6855 1.0852 1.0852 1.7856 1.7856 2.7003 2.7003 6.8240 6.8240 6.9272 6.9272 7.9432 7.9432 7.9875 7.9875 8.8847 8.8847 9.6170 9.6170 10.0417 10.0417 10.7580 10.7580 17.0965 17.0965 17.4166 17.4166 17.8527 17.8527 18.1955 18.1955 19.4147 19.4147 23.5567 23.5567 k = 0.0000 0.0000 0.0000 ( 4103 PWs) bands (ev): -41.2513 -41.2513 -21.3595 -21.3595 -19.1853 -19.1853 -18.6855 -18.6855 1.0852 1.0852 1.7856 1.7856 2.7003 2.7003 6.8240 6.8240 6.9272 6.9272 7.9432 7.9432 7.9875 7.9875 8.8847 8.8847 9.6170 9.6170 10.0417 10.0417 10.7580 10.7580 17.0965 17.0965 17.4166 17.4166 17.8527 17.8527 18.1955 18.1955 19.4147 19.4147 23.5567 23.5567 k = 0.0135 0.0077 0.0000 ( 4103 PWs) bands (ev): -41.2513 -41.2513 -21.3595 -21.3595 -19.1853 -19.1853 -18.6855 -18.6855 1.0856 1.0856 1.7864 1.7864 2.6994 2.6994 6.8174 6.8174 6.9330 6.9330 7.9309 7.9309 7.9894 7.9894 8.8982 8.8982 9.6160 9.6160 10.0423 10.0423 10.7555 10.7555 17.0972 17.0972 17.4156 17.4156 17.8568 17.8568 18.1964 18.1964 19.4183 19.4183 23.5533 23.5533 k = 0.0270 0.0154 0.0000 ( 4107 PWs) bands (ev): -41.2512 -41.2512 -21.3596 -21.3596 -19.1854 -19.1854 -18.6856 -18.6856 1.0868 1.0868 1.7886 1.7886 2.6967 2.6967 6.8005 6.8005 6.9473 6.9473 7.8964 7.8964 7.9951 7.9951 8.9362 8.9362 9.6129 9.6129 10.0444 10.0444 10.7480 10.7480 17.0993 17.0993 17.4127 17.4127 17.8690 17.8690 18.1990 18.1990 19.4291 19.4291 23.5429 23.5429 k = 0.0405 0.0230 0.0000 ( 4119 PWs) bands (ev): -41.2512 -41.2512 -21.3596 -21.3596 -19.1854 -19.1854 -18.6857 -18.6857 1.0889 1.0889 1.7923 1.7923 2.6923 2.6923 6.7781 6.7781 6.9655 6.9655 7.8448 7.8448 8.0045 8.0045 8.9923 8.9923 9.6078 9.6078 10.0491 10.0491 10.7355 10.7355 17.1027 17.1027 17.4078 17.4078 17.8892 17.8892 18.2033 18.2033 19.4469 19.4469 23.5255 23.5255 k = 0.0541 0.0307-0.0000 ( 4111 PWs) bands (ev): -41.2511 -41.2511 -21.3596 -21.3596 -19.1855 -19.1855 -18.6859 -18.6859 1.0917 1.0917 1.7975 1.7975 2.6862 2.6862 6.7528 6.7528 6.9852 6.9852 7.7819 7.7819 8.0174 8.0174 9.0591 9.0591 9.6007 9.6007 10.0584 10.0584 10.7183 10.7183 17.1072 17.1072 17.4010 17.4010 17.9175 17.9175 18.2093 18.2093 19.4718 19.4718 23.5012 23.5012 k = 0.0676 0.0384-0.0000 ( 4111 PWs) bands (ev): -41.2510 -41.2510 -21.3597 -21.3597 -19.1857 -19.1857 -18.6861 -18.6861 1.0953 1.0953 1.8041 1.8041 2.6785 2.6785 6.7257 6.7257 7.0053 7.0053 7.7122 7.7122 8.0337 8.0337 9.1290 9.1290 9.5916 9.5916 10.0752 10.0752 10.6963 10.6963 17.1127 17.1127 17.3923 17.3923 17.9535 17.9535 18.2169 18.2169 19.5036 19.5036 23.4698 23.4698 k = 0.0811 0.0461 0.0000 ( 4103 PWs) bands (ev): -41.2509 -41.2509 -21.3597 -21.3597 -19.1858 -19.1858 -18.6864 -18.6864 1.0995 1.0995 1.8121 1.8121 2.6691 2.6691 6.6975 6.6975 7.0253 7.0253 7.6392 7.6392 8.0529 8.0529 9.1951 9.1951 9.5808 9.5808 10.1031 10.1031 10.6700 10.6700 17.1190 17.1190 17.3818 17.3818 17.9972 17.9972 18.2261 18.2261 19.5420 19.5420 23.4315 23.4315 k = 0.0946 0.0537 0.0000 ( 4091 PWs) bands (ev): -41.2508 -41.2508 -21.3598 -21.3598 -19.1860 -19.1860 -18.6867 -18.6867 1.1045 1.1045 1.8214 1.8214 2.6583 2.6583 6.6686 6.6686 7.0451 7.0451 7.5651 7.5651 8.0749 8.0749 9.2510 9.2510 9.5682 9.5682 10.1463 10.1463 10.6394 10.6394 17.1258 17.1258 17.3695 17.3695 18.0484 18.0484 18.2369 18.2369 19.5870 19.5870 23.3861 23.3861 k = 0.1081 0.0614-0.0000 ( 4099 PWs) bands (ev): -41.2507 -41.2507 -21.3599 -21.3599 -19.1861 -19.1861 -18.6871 -18.6871 1.1101 1.1101 1.8320 1.8320 2.6461 2.6461 6.6394 6.6394 7.0646 7.0646 7.4916 7.4916 8.0994 8.0994 9.2922 9.2922 9.5540 9.5540 10.2082 10.2082 10.6048 10.6048 17.1327 17.1327 17.3554 17.3554 18.1067 18.1067 18.2492 18.2492 19.6382 19.6382 23.3338 23.3338 k = 0.1216 0.0691 0.0000 ( 4099 PWs) bands (ev): -41.2505 -41.2505 -21.3600 -21.3600 -19.1864 -19.1864 -18.6874 -18.6874 1.1162 1.1162 1.8439 1.8439 2.6327 2.6327 6.6099 6.6099 7.0839 7.0839 7.4197 7.4197 8.1259 8.1259 9.3162 9.3162 9.5384 9.5384 10.2900 10.2900 10.5666 10.5666 17.1395 17.1395 17.3397 17.3397 18.1719 18.1719 18.2629 18.2629 19.6954 19.6954 23.2746 23.2746 k = 0.1351 0.0768-0.0000 ( 4099 PWs) bands (ev): -41.2503 -41.2503 -21.3601 -21.3601 -19.1866 -19.1866 -18.6879 -18.6879 1.1228 1.1228 1.8569 1.8569 2.6181 2.6181 6.5804 6.5804 7.1028 7.1028 7.3500 7.3500 8.1542 8.1542 9.3237 9.3237 9.5215 9.5215 10.3906 10.3906 10.5251 10.5251 17.1457 17.1457 17.3224 17.3224 18.2437 18.2437 18.2778 18.2778 19.7584 19.7584 23.2090 23.2090 k = 0.1486 0.0845 0.0000 ( 4091 PWs) bands (ev): -41.2502 -41.2502 -21.3602 -21.3602 -19.1868 -19.1868 -18.6883 -18.6883 1.1298 1.1298 1.8711 1.8711 2.6026 2.6026 6.5510 6.5510 7.1216 7.1216 7.2831 7.2831 8.1838 8.1838 9.3169 9.3169 9.5035 9.5035 10.4805 10.4805 10.5075 10.5075 17.1509 17.1509 17.3036 17.3036 18.2939 18.2939 18.3217 18.3217 19.8268 19.8268 23.1370 23.1370 k = 0.1622 0.0921 0.0000 ( 4063 PWs) bands (ev): -41.2500 -41.2500 -21.3603 -21.3603 -19.1871 -19.1871 -18.6888 -18.6888 1.1372 1.1372 1.8862 1.8862 2.5862 2.5862 6.5220 6.5220 7.1401 7.1401 7.2193 7.2193 8.2146 8.2146 9.2986 9.2986 9.4846 9.4846 10.4333 10.4333 10.6376 10.6376 17.1547 17.1547 17.2834 17.2834 18.3112 18.3112 18.4056 18.4056 19.9003 19.9003 23.0594 23.0594 k = 0.1757 0.0998 0.0000 ( 4071 PWs) bands (ev): -41.2498 -41.2498 -21.3604 -21.3604 -19.1874 -19.1874 -18.6893 -18.6893 1.1448 1.1448 1.9023 1.9023 2.5693 2.5693 6.4933 6.4933 7.1584 7.1584 7.1589 7.1589 8.2460 8.2460 9.2713 9.2713 9.4650 9.4650 10.3838 10.3838 10.7782 10.7782 17.1564 17.1564 17.2621 17.2621 18.3293 18.3293 18.4949 18.4949 19.9787 19.9787 22.9766 22.9766 k = 0.1892 0.1075 0.0000 ( 4079 PWs) bands (ev): -41.2495 -41.2495 -21.3605 -21.3605 -19.1877 -19.1877 -18.6899 -18.6899 1.1526 1.1526 1.9192 1.9192 2.5518 2.5518 6.4652 6.4652 7.1016 7.1016 7.1767 7.1767 8.2779 8.2779 9.2373 9.2373 9.4450 9.4450 10.3323 10.3323 10.9272 10.9272 17.1556 17.1556 17.2396 17.2396 18.3483 18.3483 18.5893 18.5893 20.0617 20.0617 22.8894 22.8894 k = 0.2027 0.1152-0.0000 ( 4075 PWs) bands (ev): -41.2493 -41.2493 -21.3607 -21.3607 -19.1880 -19.1880 -18.6904 -18.6904 1.1604 1.1604 1.9368 1.9368 2.5341 2.5341 6.4378 6.4378 7.0480 7.0480 7.1947 7.1947 8.3099 8.3099 9.1983 9.1983 9.4247 9.4247 10.2793 10.2793 11.0829 11.0829 17.1517 17.1517 17.2162 17.2162 18.3680 18.3680 18.6884 18.6884 20.1489 20.1489 22.7988 22.7988 k = 0.2162 0.1228-0.0000 ( 4071 PWs) bands (ev): -41.2491 -41.2491 -21.3608 -21.3608 -19.1883 -19.1883 -18.6910 -18.6910 1.1682 1.1682 1.9550 1.9550 2.5163 2.5163 6.4111 6.4111 6.9977 6.9977 7.2126 7.2126 8.3418 8.3418 9.1556 9.1556 9.4045 9.4045 10.2251 10.2251 11.2438 11.2438 17.1440 17.1440 17.1921 17.1921 18.3882 18.3882 18.7918 18.7918 20.2400 20.2400 22.7059 22.7059 k = 0.2297 0.1305-0.0000 ( 4079 PWs) bands (ev): -41.2489 -41.2489 -21.3609 -21.3609 -19.1886 -19.1886 -18.6916 -18.6916 1.1758 1.1758 1.9737 1.9737 2.4985 2.4985 6.3853 6.3853 6.9509 6.9509 7.2301 7.2301 8.3731 8.3731 9.1104 9.1104 9.3844 9.3844 10.1700 10.1700 11.4090 11.4090 17.1319 17.1319 17.1673 17.1673 18.4088 18.4088 18.8991 18.8991 20.3347 20.3347 22.6117 22.6117 k = 0.2432 0.1382 0.0000 ( 4087 PWs) bands (ev): -41.2486 -41.2486 -21.3611 -21.3611 -19.1889 -19.1889 -18.6922 -18.6922 1.1833 1.1833 1.9928 1.9928 2.4810 2.4810 6.3604 6.3604 6.9073 6.9073 7.2475 7.2475 8.4038 8.4038 9.0634 9.0634 9.3649 9.3649 10.1144 10.1144 11.5777 11.5777 17.1147 17.1147 17.1421 17.1421 18.4296 18.4296 19.0099 19.0099 20.4327 20.4327 22.5175 22.5175 k = 0.2568 0.1459-0.0000 ( 4087 PWs) bands (ev): -41.2484 -41.2484 -21.3612 -21.3612 -19.1892 -19.1892 -18.6928 -18.6928 1.1904 1.1904 2.0121 2.0121 2.4640 2.4640 6.3364 6.3364 6.8671 6.8671 7.2644 7.2644 8.4336 8.4336 9.0155 9.0155 9.3460 9.3460 10.0587 10.0587 11.7492 11.7492 17.0918 17.0918 17.1167 17.1167 18.4505 18.4505 19.1239 19.1239 20.5336 20.5336 22.4243 22.4243 k = 0.2703 0.1536 0.0000 ( 4087 PWs) bands (ev): -41.2482 -41.2482 -21.3613 -21.3613 -19.1895 -19.1895 -18.6933 -18.6933 1.1972 1.1972 2.0315 2.0315 2.4475 2.4475 6.3135 6.3135 6.8299 6.8299 7.2810 7.2810 8.4623 8.4623 8.9672 8.9672 9.3279 9.3279 10.0033 10.0033 11.9227 11.9227 17.0626 17.0626 17.0912 17.0912 18.4713 18.4713 19.2404 19.2404 20.6372 20.6372 22.3334 22.3334 k = 0.2838 0.1612 0.0000 ( 4095 PWs) bands (ev): -41.2479 -41.2479 -21.3615 -21.3615 -19.1898 -19.1898 -18.6939 -18.6939 1.2036 1.2036 2.0509 2.0509 2.4317 2.4317 6.2917 6.2917 6.7958 6.7958 7.2970 7.2970 8.4898 8.4898 8.9191 8.9191 9.3107 9.3107 9.9487 9.9487 12.0979 12.0979 17.0266 17.0266 17.0659 17.0659 18.4919 18.4919 19.3593 19.3593 20.7432 20.7432 22.2455 22.2455 k = 0.2973 0.1689 0.0000 ( 4095 PWs) bands (ev): -41.2477 -41.2477 -21.3616 -21.3616 -19.1901 -19.1901 -18.6945 -18.6945 1.2094 1.2094 2.0701 2.0701 2.4168 2.4168 6.2711 6.2711 6.7646 6.7646 7.3124 7.3124 8.5161 8.5161 8.8718 8.8718 9.2945 9.2945 9.8951 9.8951 12.2741 12.2741 16.9833 16.9833 17.0408 17.0408 18.5121 18.5121 19.4800 19.4800 20.8510 20.8510 22.1617 22.1617 k = 0.3108 0.1766 0.0000 ( 4095 PWs) bands (ev): -41.2475 -41.2475 -21.3617 -21.3617 -19.1904 -19.1904 -18.6951 -18.6951 1.2147 1.2147 2.0890 2.0890 2.4029 2.4029 6.2516 6.2516 6.7361 6.7361 7.3272 7.3272 8.5410 8.5410 8.8256 8.8256 9.2792 9.2792 9.8430 9.8430 12.4509 12.4509 16.9324 16.9324 17.0163 17.0163 18.5317 18.5317 19.6022 19.6022 20.9605 20.9605 22.0824 22.0824 k = 0.3243 0.1843 0.0000 ( 4095 PWs) bands (ev): -41.2473 -41.2473 -21.3619 -21.3619 -19.1907 -19.1907 -18.6956 -18.6956 1.2195 1.2195 2.1074 2.1074 2.3899 2.3899 6.2334 6.2334 6.7103 6.7103 7.3412 7.3412 8.5647 8.5647 8.7809 8.7809 9.2645 9.2645 9.7930 9.7930 12.6277 12.6277 16.8736 16.8736 16.9925 16.9925 18.5507 18.5507 19.7252 19.7252 21.0711 21.0711 22.0080 22.0080 k = 0.3378 0.1919 0.0000 ( 4095 PWs) bands (ev): -41.2471 -41.2471 -21.3620 -21.3620 -19.1910 -19.1910 -18.6961 -18.6961 1.2237 1.2237 2.1251 2.1251 2.3781 2.3781 6.2165 6.2165 6.6869 6.6869 7.3543 7.3543 8.5872 8.5872 8.7382 8.7382 9.2503 9.2503 9.7455 9.7455 12.8039 12.8039 16.8071 16.8071 16.9695 16.9695 18.5689 18.5689 19.8487 19.8487 21.1824 21.1824 21.9388 21.9388 k = 0.3514 0.1996 0.0000 ( 4087 PWs) bands (ev): -41.2469 -41.2469 -21.3621 -21.3621 -19.1913 -19.1913 -18.6966 -18.6966 1.2273 1.2273 2.1421 2.1421 2.3674 2.3674 6.2008 6.2008 6.6660 6.6660 7.3664 7.3664 8.6087 8.6087 8.6977 8.6977 9.2362 9.2362 9.7010 9.7010 12.9790 12.9790 16.7330 16.7330 16.9477 16.9477 18.5862 18.5862 19.9721 19.9721 21.2939 21.2939 21.8747 21.8747 k = 0.3649 0.2073-0.0000 ( 4083 PWs) bands (ev): -41.2467 -41.2467 -21.3622 -21.3622 -19.1915 -19.1915 -18.6971 -18.6971 1.2303 1.2303 2.1582 2.1582 2.3578 2.3578 6.1865 6.1865 6.6472 6.6472 7.3776 7.3776 8.6294 8.6294 8.6597 8.6597 9.2216 9.2216 9.6603 9.6603 13.1521 13.1521 16.6518 16.6518 16.9270 16.9270 18.6024 18.6024 20.0947 20.0947 21.4048 21.4048 21.8153 21.8153 k = 0.3784 0.2150 0.0000 ( 4071 PWs) bands (ev): -41.2465 -41.2465 -21.3623 -21.3623 -19.1917 -19.1917 -18.6975 -18.6975 1.2328 1.2328 2.1733 2.1733 2.3493 2.3493 6.1735 6.1735 6.6307 6.6307 7.3876 7.3876 8.6245 8.6245 8.6494 8.6494 9.2062 9.2062 9.6237 9.6237 13.3224 13.3224 16.5642 16.5642 16.9078 16.9078 18.6174 18.6174 20.2158 20.2158 21.5144 21.5144 21.7602 21.7602 k = 0.3919 0.2226-0.0000 ( 4071 PWs) bands (ev): -41.2464 -41.2464 -21.3624 -21.3624 -19.1920 -19.1920 -18.6979 -18.6979 1.2349 1.2349 2.1871 2.1871 2.3419 2.3419 6.1618 6.1618 6.6161 6.6161 7.3966 7.3966 8.5924 8.5924 8.6689 8.6689 9.1896 9.1896 9.5917 9.5917 13.4889 13.4889 16.4712 16.4712 16.8902 16.8902 18.6312 18.6312 20.3348 20.3348 21.6218 21.6218 21.7088 21.7088 k = 0.4054 0.2303 0.0000 ( 4071 PWs) bands (ev): -41.2462 -41.2462 -21.3625 -21.3625 -19.1921 -19.1921 -18.6982 -18.6982 1.2365 1.2365 2.1997 2.1997 2.3355 2.3355 6.1515 6.1515 6.6035 6.6035 7.4045 7.4045 8.5636 8.5636 8.6880 8.6880 9.1715 9.1715 9.5646 9.5646 13.6500 13.6500 16.3743 16.3743 16.8743 16.8743 18.6435 18.6435 20.4505 20.4505 21.6601 21.6601 21.7257 21.7257 k = 0.4189 0.2380-0.0000 ( 4071 PWs) bands (ev): -41.2461 -41.2461 -21.3625 -21.3625 -19.1923 -19.1923 -18.6985 -18.6985 1.2377 1.2377 2.2108 2.2108 2.3302 2.3302 6.1426 6.1426 6.5927 6.5927 7.4112 7.4112 8.5382 8.5382 8.7066 8.7066 9.1523 9.1523 9.5424 9.5424 13.8041 13.8041 16.2755 16.2755 16.8602 16.8602 18.6544 18.6544 20.5618 20.5618 21.6136 21.6136 21.8244 21.8244 k = 0.4324 0.2457-0.0000 ( 4079 PWs) bands (ev): -41.2460 -41.2460 -21.3626 -21.3626 -19.1924 -19.1924 -18.6988 -18.6988 1.2387 1.2387 2.2204 2.2204 2.3258 2.3258 6.1350 6.1350 6.5838 6.5838 7.4168 7.4168 8.5164 8.5164 8.7246 8.7246 9.1324 9.1324 9.5249 9.5249 13.9485 13.9485 16.1774 16.1774 16.8480 16.8480 18.6638 18.6638 20.6673 20.6673 21.5684 21.5684 21.9160 21.9160 k = 0.4459 0.2534-0.0000 ( 4087 PWs) bands (ev): -41.2459 -41.2459 -21.3626 -21.3626 -19.1926 -19.1926 -18.6990 -18.6990 1.2393 1.2393 2.2284 2.2284 2.3223 2.3223 6.1288 6.1288 6.5765 6.5765 7.4214 7.4214 8.4984 8.4984 8.7415 8.7415 9.1127 9.1127 9.5116 9.5116 14.0797 14.0797 16.0838 16.0838 16.8380 16.8380 18.6715 18.6715 20.7650 20.7650 21.5242 21.5242 21.9980 21.9980 k = 0.4595 0.2610-0.0000 ( 4087 PWs) bands (ev): -41.2459 -41.2459 -21.3627 -21.3627 -19.1927 -19.1927 -18.6992 -18.6992 1.2398 1.2398 2.2347 2.2347 2.3196 2.3196 6.1240 6.1240 6.5709 6.5709 7.4249 7.4249 8.4843 8.4843 8.7565 8.7565 9.0948 9.0948 9.5020 9.5020 14.1929 14.1929 15.9995 15.9995 16.8300 16.8300 18.6776 18.6776 20.8522 20.8522 21.4817 21.4817 22.0672 22.0672 k = 0.4730 0.2687-0.0000 ( 4087 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1927 -19.1927 -18.6993 -18.6993 1.2401 1.2401 2.2392 2.2392 2.3178 2.3178 6.1205 6.1205 6.5670 6.5670 7.4273 7.4273 8.4741 8.4741 8.7687 8.7687 9.0800 9.0800 9.4955 9.4955 14.2819 14.2819 15.9311 15.9311 16.8243 16.8243 18.6820 18.6820 20.9242 20.9242 21.4432 21.4432 22.1202 22.1202 k = 0.4865 0.2764-0.0000 ( 4078 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1928 -19.1928 -18.6994 -18.6994 1.2403 1.2403 2.2420 2.2420 2.3167 2.3167 6.1185 6.1185 6.5646 6.5646 7.4288 7.4288 8.4680 8.4680 8.7768 8.7768 9.0702 9.0702 9.4919 9.4919 14.3396 14.3396 15.8858 15.8858 16.8209 16.8209 18.6846 18.6846 20.9741 20.9741 21.4143 21.4143 22.1537 22.1537 k = 0.5000 0.2841 0.0000 ( 4082 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1928 -19.1928 -18.6994 -18.6994 1.2403 1.2403 2.2429 2.2429 2.3163 2.3163 6.1178 6.1178 6.5638 6.5638 7.4293 7.4293 8.4659 8.4659 8.7797 8.7797 9.0668 9.0668 9.4907 9.4907 14.3596 14.3596 15.8698 15.8698 16.8197 16.8197 18.6855 18.6855 20.9924 20.9924 21.4031 21.4031 22.1652 22.1652 k = 0.5000 0.2841 0.0000 ( 4082 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1928 -19.1928 -18.6994 -18.6994 1.2403 1.2403 2.2429 2.2429 2.3163 2.3163 6.1178 6.1178 6.5638 6.5638 7.4293 7.4293 8.4659 8.4659 8.7797 8.7797 9.0668 9.0668 9.4907 9.4907 14.3596 14.3596 15.8698 15.8698 16.8197 16.8197 18.6855 18.6855 20.9924 20.9924 21.4031 21.4031 22.1652 22.1652 k = 0.4946 0.2935 0.0109 ( 4078 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1928 -19.1928 -18.6994 -18.6994 1.2404 1.2404 2.2426 2.2426 2.3166 2.3166 6.1185 6.1185 6.5655 6.5655 7.4295 7.4295 8.4636 8.4636 8.7807 8.7807 9.0672 9.0672 9.4914 9.4914 14.3607 14.3607 15.8686 15.8686 16.8205 16.8205 18.6849 18.6849 20.9827 20.9827 21.4046 21.4046 22.1492 22.1492 k = 0.4892 0.3030 0.0218 ( 4076 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1929 -19.1929 -18.6995 -18.6995 1.2407 1.2407 2.2418 2.2418 2.3176 2.3176 6.1205 6.1205 6.5707 6.5707 7.4300 7.4300 8.4567 8.4567 8.7838 8.7838 9.0687 9.0687 9.4936 9.4936 14.3637 14.3637 15.8650 15.8650 16.8228 16.8228 18.6831 18.6831 20.9527 20.9527 21.4090 21.4090 22.1060 22.1060 k = 0.4839 0.3125 0.0326 ( 4084 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1931 -19.1931 -18.6997 -18.6997 1.2412 1.2412 2.2403 2.2403 2.3193 2.3193 6.1238 6.1238 6.5794 6.5794 7.4308 7.4308 8.4457 8.4457 8.7885 8.7885 9.0711 9.0711 9.4973 9.4973 14.3687 14.3687 15.8591 15.8591 16.8266 16.8266 18.6801 18.6801 20.8997 20.8997 21.4163 21.4163 22.0477 22.0477 k = 0.4785 0.3219 0.0435 ( 4086 PWs) bands (ev): -41.2457 -41.2457 -21.3627 -21.3627 -19.1933 -19.1933 -18.6999 -18.6999 1.2419 1.2419 2.2384 2.2384 2.3216 2.3216 6.1285 6.1285 6.5914 6.5914 7.4320 7.4320 8.4309 8.4309 8.7945 8.7945 9.0744 9.0744 9.5024 9.5024 14.3757 14.3757 15.8507 15.8507 16.8319 16.8319 18.6759 18.6759 20.8205 20.8205 21.4263 21.4263 21.9881 21.9881 k = 0.4731 0.3314 0.0544 ( 4090 PWs) bands (ev): -41.2457 -41.2457 -21.3627 -21.3627 -19.1936 -19.1936 -18.7002 -18.7002 1.2428 1.2428 2.2358 2.2358 2.3246 2.3246 6.1345 6.1345 6.6068 6.6068 7.4335 7.4335 8.4129 8.4129 8.8013 8.8013 9.0786 9.0786 9.5089 9.5089 14.3847 14.3847 15.8399 15.8399 16.8387 16.8387 18.6705 18.6705 20.7132 20.7132 21.4386 21.4386 21.9382 21.9382 k = 0.4677 0.3408 0.0653 ( 4090 PWs) bands (ev): -41.2457 -41.2457 -21.3627 -21.3627 -19.1939 -19.1939 -18.7005 -18.7005 1.2438 1.2438 2.2327 2.2327 2.3283 2.3283 6.1418 6.1418 6.6256 6.6256 7.4354 7.4354 8.3923 8.3923 8.8087 8.8087 9.0837 9.0837 9.5168 9.5168 14.3956 14.3956 15.8268 15.8268 16.8469 16.8469 18.6640 18.6640 20.5784 20.5784 21.4532 21.4532 21.9042 21.9042 k = 0.4624 0.3503 0.0762 ( 4082 PWs) bands (ev): -41.2456 -41.2456 -21.3626 -21.3626 -19.1943 -19.1943 -18.7009 -18.7009 1.2449 1.2449 2.2290 2.2290 2.3328 2.3328 6.1503 6.1503 6.6476 6.6476 7.4378 7.4378 8.3695 8.3695 8.8161 8.8161 9.0897 9.0897 9.5259 9.5259 14.4085 14.4085 15.8111 15.8111 16.8565 16.8565 18.6564 18.6564 20.4195 20.4195 21.4697 21.4697 21.8879 21.8879 k = 0.4570 0.3598 0.0871 ( 4084 PWs) bands (ev): -41.2456 -41.2456 -21.3626 -21.3626 -19.1947 -19.1947 -18.7013 -18.7013 1.2462 1.2462 2.2248 2.2248 2.3379 2.3379 6.1601 6.1601 6.6728 6.6728 7.4405 7.4405 8.3449 8.3449 8.8235 8.8235 9.0965 9.0965 9.5363 9.5363 14.4233 14.4233 15.7931 15.7931 16.8673 16.8673 18.6476 18.6476 20.2410 20.2410 21.4882 21.4882 21.8882 21.8882 k = 0.4516 0.3692 0.0979 ( 4074 PWs) bands (ev): -41.2456 -41.2456 -21.3626 -21.3626 -19.1953 -19.1953 -18.7018 -18.7018 1.2475 1.2475 2.2201 2.2201 2.3438 2.3438 6.1712 6.1712 6.7011 6.7011 7.4437 7.4437 8.3189 8.3189 8.8307 8.8307 9.1041 9.1041 9.5478 9.5478 14.4400 14.4400 15.7726 15.7726 16.8794 16.8794 18.6378 18.6378 20.0476 20.0476 21.5084 21.5084 21.9030 21.9030 k = 0.4462 0.3787 0.1088 ( 4076 PWs) bands (ev): -41.2455 -41.2455 -21.3625 -21.3625 -19.1958 -19.1958 -18.7023 -18.7023 1.2488 1.2488 2.2148 2.2148 2.3505 2.3505 6.1834 6.1834 6.7324 6.7324 7.4473 7.4473 8.2916 8.2916 8.8377 8.8377 9.1124 9.1124 9.5604 9.5604 14.4585 14.4585 15.7496 15.7496 16.8926 16.8926 18.6268 18.6268 19.8433 19.8433 21.5304 21.5304 21.9300 21.9300 k = 0.4409 0.3882 0.1197 ( 4072 PWs) bands (ev): -41.2455 -41.2455 -21.3625 -21.3625 -19.1964 -19.1964 -18.7029 -18.7029 1.2502 1.2502 2.2091 2.2091 2.3578 2.3578 6.1967 6.1967 6.7664 6.7664 7.4516 7.4516 8.2635 8.2635 8.8443 8.8443 9.1215 9.1215 9.5739 9.5739 14.4789 14.4789 15.7242 15.7242 16.9068 16.9068 18.6147 18.6147 19.6314 19.6314 21.5542 21.5542 21.9674 21.9674 k = 0.4355 0.3976 0.1306 ( 4076 PWs) bands (ev): -41.2454 -41.2454 -21.3625 -21.3625 -19.1971 -19.1971 -18.7035 -18.7035 1.2515 1.2515 2.2029 2.2029 2.3659 2.3659 6.2112 6.2112 6.8032 6.8032 7.4565 7.4565 8.2346 8.2346 8.8507 8.8507 9.1313 9.1313 9.5883 9.5883 14.5010 14.5010 15.6962 15.6962 16.9218 16.9218 18.6014 18.6014 19.4143 19.4143 21.5798 21.5798 22.0138 22.0138 k = 0.4301 0.4071 0.1415 ( 4084 PWs) bands (ev): -41.2453 -41.2453 -21.3624 -21.3624 -19.1978 -19.1978 -18.7041 -18.7041 1.2527 1.2527 2.1963 2.1963 2.3748 2.3748 6.2267 6.2267 6.8423 6.8423 7.4621 7.4621 8.2052 8.2052 8.8568 8.8568 9.1418 9.1418 9.6035 9.6035 14.5247 14.5247 15.6659 15.6659 16.9373 16.9373 18.5866 18.5866 19.1945 19.1945 21.6071 21.6071 22.0680 22.0680 k = 0.4247 0.4165 0.1524 ( 4084 PWs) bands (ev): -41.2453 -41.2453 -21.3624 -21.3624 -19.1986 -19.1986 -18.7048 -18.7048 1.2538 1.2538 2.1892 2.1892 2.3844 2.3844 6.2432 6.2432 6.8836 6.8836 7.4685 7.4685 8.1756 8.1756 8.8626 8.8626 9.1531 9.1531 9.6195 9.6195 14.5501 14.5501 15.6330 15.6330 16.9530 16.9530 18.5696 18.5696 18.9743 18.9743 21.6362 21.6362 22.1292 22.1292 k = 0.4194 0.4260 0.1632 ( 4088 PWs) bands (ev): -41.2452 -41.2452 -21.3623 -21.3623 -19.1994 -19.1994 -18.7055 -18.7055 1.2548 1.2548 2.1818 2.1818 2.3947 2.3947 6.2607 6.2607 6.9267 6.9267 7.4761 7.4761 8.1457 8.1457 8.8683 8.8683 9.1653 9.1653 9.6360 9.6360 14.5769 14.5769 15.5978 15.5978 16.9685 16.9685 18.5460 18.5460 18.7597 18.7597 21.6669 21.6669 22.1967 22.1967 k = 0.4140 0.4355 0.1741 ( 4084 PWs) bands (ev): -41.2452 -41.2452 -21.3623 -21.3623 -19.2002 -19.2002 -18.7062 -18.7062 1.2557 1.2557 2.1740 2.1740 2.4057 2.4057 6.2790 6.2790 6.9713 6.9713 7.4849 7.4849 8.1159 8.1159 8.8740 8.8740 9.1783 9.1783 9.6530 9.6530 14.6051 14.6051 15.5603 15.5603 16.9830 16.9830 18.4744 18.4744 18.5936 18.5936 21.6992 21.6992 22.2700 22.2700 k = 0.4086 0.4449 0.1850 ( 4092 PWs) bands (ev): -41.2451 -41.2451 -21.3622 -21.3622 -19.2010 -19.2010 -18.7069 -18.7069 1.2563 1.2563 2.1659 2.1659 2.4175 2.4175 6.2981 6.2981 7.0167 7.0167 7.4954 7.4954 8.0862 8.0862 8.8796 8.8796 9.1922 9.1922 9.6705 9.6705 14.6344 14.6344 15.5205 15.5205 16.9951 16.9951 18.2878 18.2878 18.5451 18.5451 21.7328 21.7328 22.3486 22.3486 k = 0.4032 0.4544 0.1959 ( 4090 PWs) bands (ev): -41.2450 -41.2450 -21.3622 -21.3622 -19.2019 -19.2019 -18.7077 -18.7077 1.2567 1.2567 2.1575 2.1575 2.4299 2.4299 6.3180 6.3180 7.0624 7.0624 7.5079 7.5079 8.0569 8.0569 8.8852 8.8852 9.2072 9.2072 9.6884 9.6884 14.6645 14.6645 15.4788 15.4788 17.0028 17.0028 18.0809 18.0809 18.5222 18.5222 21.7677 21.7677 22.4322 22.4322 k = 0.3979 0.4638 0.2068 ( 4102 PWs) bands (ev): -41.2449 -41.2449 -21.3621 -21.3621 -19.2029 -19.2029 -18.7085 -18.7085 1.2569 1.2569 2.1489 2.1489 2.4430 2.4430 6.3385 6.3385 7.1074 7.1074 7.5231 7.5231 8.0282 8.0282 8.8909 8.8909 9.2235 9.2235 9.7066 9.7066 14.6950 14.6950 15.4353 15.4353 17.0018 17.0018 17.8808 17.8808 18.5025 18.5025 21.8035 21.8035 22.5205 22.5205 k = 0.3925 0.4733 0.2176 ( 4104 PWs) bands (ev): -41.2449 -41.2449 -21.3620 -21.3620 -19.2038 -19.2038 -18.7092 -18.7092 1.2568 1.2568 2.1400 2.1400 2.4568 2.4568 6.3596 6.3596 7.1509 7.1509 7.5415 7.5415 8.0002 8.0002 8.8967 8.8967 9.2410 9.2410 9.7250 9.7250 14.7253 14.7253 15.3906 15.3906 16.9839 16.9839 17.6987 17.6987 18.4834 18.4834 21.8401 21.8401 22.6130 22.6130 k = 0.3871 0.4828 0.2285 ( 4108 PWs) bands (ev): -41.2448 -41.2448 -21.3620 -21.3620 -19.2047 -19.2047 -18.7100 -18.7100 1.2565 1.2565 2.1309 2.1309 2.4711 2.4711 6.3811 6.3811 7.1917 7.1917 7.5638 7.5638 7.9733 7.9733 8.9027 8.9027 9.2601 9.2601 9.7436 9.7436 14.7545 14.7545 15.3453 15.3453 16.9348 16.9348 17.5501 17.5501 18.4644 18.4644 21.8771 21.8771 22.7095 22.7095 k = 0.3817 0.4922 0.2394 ( 4099 PWs) bands (ev): -41.2447 -41.2447 -21.3619 -21.3619 -19.2057 -19.2057 -18.7108 -18.7108 1.2558 1.2558 2.1216 2.1216 2.4860 2.4860 6.4030 6.4030 7.2287 7.2287 7.5905 7.5905 7.9478 7.9478 8.9089 8.9089 9.2809 9.2809 9.7623 9.7623 14.7810 14.7810 15.3008 15.3008 16.8392 16.8392 17.4510 17.4510 18.4453 18.4453 21.9141 21.9141 22.8096 22.8096 k = 0.3764 0.5017 0.2503 ( 4097 PWs) bands (ev): -41.2447 -41.2447 -21.3618 -21.3618 -19.2067 -19.2067 -18.7116 -18.7116 1.2549 1.2549 2.1122 2.1122 2.5015 2.5015 6.4253 6.4253 7.2612 7.2612 7.6215 7.6215 7.9243 7.9243 8.9153 8.9153 9.3037 9.3037 9.7811 9.7811 14.8025 14.8025 15.2589 15.2589 16.6979 16.6979 17.4014 17.4014 18.4260 18.4260 21.9507 21.9507 22.9128 22.9128 k = 0.3710 0.5112 0.2612 ( 4097 PWs) bands (ev): -41.2446 -41.2446 -21.3618 -21.3618 -19.2077 -19.2077 -18.7123 -18.7123 1.2536 1.2536 2.1026 2.1026 2.5174 2.5174 6.4476 6.4476 7.2888 7.2888 7.6560 7.6560 7.9041 7.9041 8.9220 8.9220 9.3286 9.3286 9.8000 9.8000 14.8153 14.8153 15.2225 15.2225 16.5278 16.5278 17.3854 17.3854 18.4067 18.4067 21.9864 21.9864 23.0181 23.0181 k = 0.3656 0.5206 0.2721 ( 4099 PWs) bands (ev): -41.2445 -41.2445 -21.3617 -21.3617 -19.2086 -19.2086 -18.7131 -18.7131 1.2520 1.2520 2.0930 2.0930 2.5338 2.5338 6.4701 6.4701 7.3117 7.3117 7.6910 7.6910 7.8894 7.8894 8.9291 8.9291 9.3560 9.3560 9.8188 9.8188 14.8149 14.8149 15.1951 15.1951 16.3450 16.3450 17.3880 17.3880 18.3872 18.3872 22.0205 22.0205 23.1202 23.1203 k = 0.3602 0.5301 0.2829 ( 4103 PWs) bands (ev): -41.2445 -41.2445 -21.3616 -21.3616 -19.2096 -19.2096 -18.7138 -18.7138 1.2502 1.2502 2.0832 2.0832 2.5506 2.5506 6.4925 6.4925 7.3303 7.3303 7.7209 7.7209 7.8851 7.8851 8.9364 8.9364 9.3862 9.3862 9.8376 9.8376 14.7974 14.7974 15.1784 15.1784 16.1604 16.1604 17.4010 17.4010 18.3677 18.3677 22.0526 22.0526 23.1253 23.1253 k = 0.3549 0.5395 0.2938 ( 4103 PWs) bands (ev): -41.2444 -41.2444 -21.3615 -21.3615 -19.2106 -19.2106 -18.7145 -18.7145 1.2480 1.2480 2.0734 2.0734 2.5677 2.5677 6.5147 6.5147 7.3452 7.3452 7.7381 7.7381 7.8978 7.8978 8.9440 8.9440 9.4195 9.4195 9.8563 9.8563 14.7616 14.7616 15.1694 15.1694 15.9826 15.9826 17.4200 17.4200 18.3483 18.3483 22.0817 22.0817 23.1109 23.1110 k = 0.3495 0.5490 0.3047 ( 4103 PWs) bands (ev): -41.2444 -41.2444 -21.3615 -21.3615 -19.2115 -19.2115 -18.7152 -18.7152 1.2456 1.2456 2.0636 2.0636 2.5850 2.5850 6.5366 6.5366 7.3572 7.3572 7.7401 7.7401 7.9291 7.9291 8.9520 8.9520 9.4561 9.4561 9.8749 9.8749 14.7098 14.7098 15.1578 15.1578 15.8223 15.8223 17.4427 17.4427 18.3288 18.3288 22.1071 22.1071 23.0968 23.0969 k = 0.3441 0.5585 0.3156 ( 4099 PWs) bands (ev): -41.2443 -41.2443 -21.3614 -21.3614 -19.2124 -19.2124 -18.7158 -18.7158 1.2429 1.2429 2.0538 2.0538 2.6026 2.6026 6.5582 6.5582 7.3669 7.3669 7.7326 7.7326 7.9722 7.9722 8.9604 8.9604 9.4964 9.4964 9.8934 9.8934 14.6447 14.6447 15.1261 15.1261 15.6955 15.6955 17.4680 17.4680 18.3096 18.3096 22.1281 22.1281 23.0835 23.0835 k = 0.3387 0.5679 0.3265 ( 4097 PWs) bands (ev): -41.2443 -41.2443 -21.3613 -21.3613 -19.2133 -19.2133 -18.7164 -18.7164 1.2399 1.2399 2.0440 2.0440 2.6203 2.6203 6.5792 6.5792 7.3746 7.3746 7.7210 7.7210 8.0209 8.0209 8.9690 8.9690 9.5406 9.5406 9.9118 9.9118 14.5679 14.5679 15.0558 15.0558 15.6204 15.6204 17.4949 17.4949 18.2905 18.2905 22.1438 22.1438 23.0708 23.0708 k = 0.3334 0.5774 0.3374 ( 4097 PWs) bands (ev): -41.2443 -41.2443 -21.3613 -21.3613 -19.2142 -19.2142 -18.7170 -18.7170 1.2367 1.2367 2.0343 2.0343 2.6381 2.6381 6.5995 6.5995 7.3808 7.3808 7.7082 7.7082 8.0716 8.0716 8.9780 8.9780 9.5889 9.5889 9.9301 9.9301 14.4793 14.4793 14.9468 14.9468 15.5980 15.5980 17.5230 17.5230 18.2717 18.2717 22.1536 22.1536 23.0585 23.0585 k = 0.3280 0.5869 0.3482 ( 4093 PWs) bands (ev): -41.2442 -41.2442 -21.3612 -21.3612 -19.2150 -19.2150 -18.7176 -18.7176 1.2332 1.2332 2.0246 2.0246 2.6560 2.6560 6.6192 6.6192 7.3857 7.3857 7.6954 7.6954 8.1224 8.1224 8.9873 8.9873 9.6415 9.6415 9.9483 9.9483 14.3773 14.3773 14.8176 14.8176 15.6118 15.6118 17.5520 17.5520 18.2532 18.2532 22.1570 22.1570 23.0461 23.0461 k = 0.3226 0.5963 0.3591 ( 4097 PWs) bands (ev): -41.2442 -41.2442 -21.3611 -21.3611 -19.2158 -19.2158 -18.7181 -18.7181 1.2296 1.2296 2.0150 2.0150 2.6738 2.6738 6.6379 6.6379 7.3896 7.3896 7.6833 7.6833 8.1721 8.1721 8.9968 8.9968 9.6982 9.6982 9.9665 9.9665 14.2597 14.2597 14.6866 14.6866 15.6464 15.6464 17.5817 17.5817 18.2351 18.2351 22.1537 22.1537 23.0326 23.0326 k = 0.3172 0.6058 0.3700 ( 4109 PWs) bands (ev): -41.2442 -41.2442 -21.3610 -21.3610 -19.2165 -19.2165 -18.7185 -18.7185 1.2258 1.2258 2.0054 2.0054 2.6915 2.6915 6.6557 6.6557 7.3927 7.3927 7.6722 7.6722 8.2201 8.2201 9.0067 9.0067 9.7589 9.7589 9.9849 9.9849 14.1256 14.1256 14.5639 14.5639 15.6932 15.6932 17.6119 17.6119 18.2175 18.2175 22.1435 22.1435 23.0165 23.0165 k = 0.3119 0.6152 0.3809 ( 4101 PWs) bands (ev): -41.2442 -41.2442 -21.3610 -21.3610 -19.2172 -19.2172 -18.7189 -18.7189 1.2218 1.2218 1.9960 1.9960 2.7090 2.7090 6.6724 6.6724 7.3954 7.3954 7.6620 7.6620 8.2659 8.2659 9.0167 9.0167 9.8230 9.8230 10.0040 10.0040 13.9769 13.9769 14.4525 14.4525 15.7477 15.7477 17.6425 17.6425 18.2005 18.2005 22.1266 22.1266 22.9960 22.9960 k = 0.3065 0.6247 0.3918 ( 4099 PWs) bands (ev): -41.2442 -41.2442 -21.3609 -21.3609 -19.2179 -19.2179 -18.7193 -18.7193 1.2177 1.2177 1.9867 1.9867 2.7262 2.7262 6.6880 6.6880 7.3977 7.3977 7.6529 7.6529 8.3092 8.3092 9.0270 9.0270 9.8886 9.8886 10.0252 10.0252 13.8175 13.8175 14.3514 14.3514 15.8076 15.8076 17.6734 17.6734 18.1841 18.1841 22.1033 22.1033 22.9689 22.9689 k = 0.3011 0.6342 0.4027 ( 4101 PWs) bands (ev): -41.2442 -41.2442 -21.3608 -21.3608 -19.2184 -19.2184 -18.7196 -18.7196 1.2135 1.2135 1.9775 1.9775 2.7432 2.7432 6.7024 6.7024 7.3999 7.3999 7.6448 7.6448 8.3498 8.3498 9.0373 9.0373 9.9516 9.9516 10.0524 10.0524 13.6516 13.6516 14.2585 14.2585 15.8715 15.8715 17.7045 17.7045 18.1686 18.1686 22.0739 22.0739 22.9329 22.9329 k = 0.2957 0.6436 0.4135 ( 4103 PWs) bands (ev): -41.2442 -41.2442 -21.3608 -21.3608 -19.2190 -19.2190 -18.7199 -18.7199 1.2092 1.2092 1.9685 1.9685 2.7598 2.7598 6.7155 6.7155 7.4022 7.4022 7.6374 7.6374 8.3878 8.3878 9.0478 9.0478 10.0015 10.0015 10.0953 10.0953 13.4825 13.4825 14.1719 14.1719 15.9385 15.9385 17.7358 17.7358 18.1539 18.1539 22.0389 22.0389 22.8857 22.8857 k = 0.2903 0.6531 0.4244 ( 4119 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2194 -19.2194 -18.7201 -18.7201 1.2048 1.2048 1.9596 1.9596 2.7760 2.7760 6.7274 6.7274 7.4047 7.4047 7.6307 7.6307 8.4231 8.4231 9.0582 9.0582 10.0328 10.0328 10.1586 10.1586 13.3126 13.3126 14.0907 14.0907 16.0080 16.0080 17.7672 17.7672 18.1404 18.1404 21.9986 21.9986 22.8256 22.8256 k = 0.2903 0.6531 0.4244 ( 4119 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2194 -19.2194 -18.7201 -18.7201 1.2048 1.2048 1.9596 1.9596 2.7760 2.7760 6.7274 6.7274 7.4047 7.4047 7.6307 7.6307 8.4231 8.4231 9.0582 9.0582 10.0328 10.0328 10.1586 10.1586 13.3126 13.3126 14.0907 14.0907 16.0080 16.0080 17.7672 17.7672 18.1404 18.1404 21.9986 21.9986 22.8256 22.8256 k = 0.2758 0.6495 0.4285 ( 4113 PWs) bands (ev): -41.2442 -41.2442 -21.3607 -21.3607 -19.2196 -19.2196 -18.7202 -18.7202 1.2030 1.2030 1.9560 1.9560 2.7826 2.7826 6.7324 6.7324 7.4059 7.4059 7.6270 7.6270 8.4311 8.4311 9.0673 9.0673 10.0390 10.0390 10.1906 10.1906 13.2487 13.2487 14.0503 14.0503 16.0457 16.0457 17.7812 17.7812 18.1350 18.1350 21.9794 21.9794 22.7944 22.7944 k = 0.2613 0.6460 0.4326 ( 4111 PWs) bands (ev): -41.2443 -41.2443 -21.3606 -21.3606 -19.2197 -19.2197 -18.7202 -18.7202 1.2007 1.2007 1.9520 1.9520 2.7905 2.7905 6.7387 6.7387 7.4072 7.4072 7.6210 7.6210 8.4295 8.4295 9.0863 9.0863 10.0421 10.0421 10.2308 10.2308 13.1846 13.1846 13.9904 13.9904 16.1033 16.1033 17.7999 17.7999 18.1287 18.1287 21.9543 21.9543 22.7517 22.7517 k = 0.2468 0.6424 0.4367 ( 4110 PWs) bands (ev): -41.2443 -41.2443 -21.3606 -21.3606 -19.2198 -19.2198 -18.7202 -18.7202 1.1980 1.1980 1.9476 1.9476 2.7996 2.7996 6.7465 6.7465 7.4084 7.4084 7.6129 7.6129 8.4193 8.4193 9.1137 9.1137 10.0453 10.0453 10.2765 10.2765 13.1205 13.1205 13.9148 13.9148 16.1763 16.1763 17.8234 17.8234 18.1219 18.1219 21.9242 21.9242 22.6992 22.6992 k = 0.2323 0.6389 0.4408 ( 4110 PWs) bands (ev): -41.2443 -41.2443 -21.3606 -21.3606 -19.2199 -19.2199 -18.7202 -18.7202 1.1950 1.1950 1.9429 1.9429 2.8097 2.8097 6.7556 6.7556 7.4091 7.4091 7.6034 7.6034 8.4021 8.4021 9.1472 9.1472 10.0500 10.0500 10.3263 10.3263 13.0562 13.0562 13.8278 13.8278 16.2600 16.2600 17.8520 17.8520 18.1158 18.1158 21.8900 21.8900 22.6385 22.6385 k = 0.2178 0.6353 0.4448 ( 4108 PWs) bands (ev): -41.2443 -41.2443 -21.3605 -21.3605 -19.2200 -19.2200 -18.7202 -18.7202 1.1918 1.1918 1.9379 1.9379 2.8207 2.8207 6.7662 6.7662 7.4082 7.4082 7.5936 7.5936 8.3796 8.3796 9.1844 9.1844 10.0574 10.0574 10.3796 10.3796 12.9915 12.9915 13.7331 13.7331 16.3500 16.3500 17.8847 17.8847 18.1123 18.1123 21.8520 21.8520 22.5710 22.5710 k = 0.2032 0.6318 0.4489 ( 4110 PWs) bands (ev): -41.2444 -41.2444 -21.3605 -21.3605 -19.2201 -19.2201 -18.7202 -18.7202 1.1883 1.1883 1.9328 1.9328 2.8324 2.8324 6.7781 6.7781 7.4048 7.4048 7.5847 7.5847 8.3533 8.3533 9.2230 9.2230 10.0680 10.0680 10.4364 10.4364 12.9261 12.9261 13.6341 13.6341 16.4421 16.4421 17.9189 17.9189 18.1156 18.1156 21.8105 21.8105 22.4973 22.4973 k = 0.1887 0.6282 0.4530 ( 4107 PWs) bands (ev): -41.2444 -41.2444 -21.3605 -21.3605 -19.2202 -19.2202 -18.7202 -18.7202 1.1846 1.1846 1.9276 1.9276 2.8446 2.8446 6.7914 6.7914 7.3977 7.3977 7.5783 7.5783 8.3244 8.3244 9.2610 9.2610 10.0819 10.0819 10.4964 10.4964 12.8592 12.8592 13.5337 13.5337 16.5329 16.5329 17.9482 17.9482 18.1339 18.1339 21.7648 21.7648 22.4174 22.4174 k = 0.1742 0.6247 0.4571 ( 4109 PWs) bands (ev): -41.2444 -41.2444 -21.3605 -21.3605 -19.2203 -19.2203 -18.7202 -18.7202 1.1809 1.1809 1.9224 1.9224 2.8572 2.8572 6.8061 6.8061 7.3859 7.3859 7.5756 7.5756 8.2938 8.2938 9.2970 9.2970 10.0993 10.0993 10.5600 10.5600 12.7901 12.7901 13.4346 13.4346 16.6192 16.6192 17.9645 17.9645 18.1767 18.1767 21.7136 21.7136 22.3315 22.3315 k = 0.1597 0.6211 0.4612 ( 4112 PWs) bands (ev): -41.2445 -41.2445 -21.3604 -21.3604 -19.2203 -19.2203 -18.7202 -18.7202 1.1772 1.1772 1.9173 1.9173 2.8698 2.8698 6.8219 6.8219 7.3693 7.3693 7.5770 7.5770 8.2623 8.2623 9.3299 9.3299 10.1199 10.1199 10.6272 10.6272 12.7178 12.7178 13.3394 13.3394 16.6988 16.6988 17.9672 17.9672 18.2458 18.2458 21.6545 21.6545 22.2404 22.2404 k = 0.1452 0.6176 0.4653 ( 4114 PWs) bands (ev): -41.2445 -41.2445 -21.3604 -21.3604 -19.2204 -19.2204 -18.7201 -18.7201 1.1735 1.1735 1.9124 1.9124 2.8823 2.8823 6.8390 6.8390 7.3485 7.3485 7.5822 7.5822 8.2305 8.2305 9.3589 9.3589 10.1430 10.1430 10.6982 10.6982 12.6411 12.6411 13.2502 13.2502 16.7699 16.7699 17.9617 17.9617 18.3369 18.3369 21.5831 21.5831 22.1471 22.1471 k = 0.1307 0.6140 0.4693 ( 4106 PWs) bands (ev): -41.2445 -41.2445 -21.3604 -21.3604 -19.2204 -19.2204 -18.7201 -18.7201 1.1699 1.1699 1.9078 1.9078 2.8945 2.8945 6.8573 6.8573 7.3244 7.3244 7.5905 7.5905 8.1989 8.1989 9.3837 9.3837 10.1679 10.1679 10.7732 10.7732 12.5592 12.5592 13.1691 13.1691 16.8319 16.8319 17.9520 17.9520 18.4460 18.4460 21.4943 21.4943 22.0571 22.0571 k = 0.1161 0.6105 0.4734 ( 4106 PWs) bands (ev): -41.2445 -41.2445 -21.3604 -21.3604 -19.2205 -19.2205 -18.7201 -18.7201 1.1665 1.1665 1.9034 1.9034 2.9061 2.9061 6.8767 6.8767 7.2979 7.2979 7.6011 7.6011 8.1680 8.1680 9.4045 9.4045 10.1936 10.1936 10.8523 10.8523 12.4715 12.4715 13.0974 13.0974 16.8845 16.8845 17.9405 17.9405 18.5703 18.5703 21.3834 21.3834 21.9772 21.9772 k = 0.1016 0.6069 0.4775 ( 4108 PWs) bands (ev): -41.2446 -41.2446 -21.3603 -21.3603 -19.2205 -19.2205 -18.7200 -18.7200 1.1634 1.1634 1.8994 1.8994 2.9169 2.9169 6.8972 6.8972 7.2699 7.2699 7.6132 7.6132 8.1382 8.1382 9.4214 9.4214 10.2189 10.2189 10.9355 10.9355 12.3781 12.3781 13.0356 13.0356 16.9283 16.9283 17.9286 17.9286 18.7076 18.7076 21.2496 21.2496 21.9115 21.9115 k = 0.0871 0.6034 0.4816 ( 4109 PWs) bands (ev): -41.2446 -41.2446 -21.3603 -21.3603 -19.2205 -19.2205 -18.7200 -18.7200 1.1606 1.1606 1.8958 1.8958 2.9267 2.9267 6.9187 6.9187 7.2409 7.2409 7.6261 7.6261 8.1101 8.1101 9.4349 9.4349 10.2430 10.2430 11.0226 11.0226 12.2798 12.2798 12.9838 12.9838 16.9640 16.9640 17.9171 17.9171 18.8558 18.8558 21.0963 21.0963 21.8603 21.8603 k = 0.0726 0.5998 0.4857 ( 4113 PWs) bands (ev): -41.2446 -41.2446 -21.3603 -21.3603 -19.2205 -19.2205 -18.7200 -18.7200 1.1581 1.1581 1.8927 1.8927 2.9354 2.9354 6.9412 6.9412 7.2115 7.2115 7.6393 7.6393 8.0843 8.0843 9.4454 9.4454 10.2649 10.2649 11.1135 11.1135 12.1777 12.1777 12.9414 12.9414 16.9923 16.9923 17.9065 17.9065 19.0127 19.0127 20.9293 20.9293 21.8215 21.8215 k = 0.0581 0.5963 0.4898 ( 4109 PWs) bands (ev): -41.2446 -41.2446 -21.3603 -21.3603 -19.2206 -19.2206 -18.7200 -18.7200 1.1560 1.1560 1.8901 1.8901 2.9427 2.9427 6.9646 6.9646 7.1821 7.1821 7.6518 7.6518 8.0613 8.0613 9.4533 9.4533 10.2838 10.2838 11.2075 11.2075 12.0732 12.0732 12.9078 12.9078 17.0143 17.0143 17.8973 17.8973 19.1758 19.1758 20.7543 20.7543 21.7925 21.7925 k = 0.0436 0.5927 0.4938 ( 4107 PWs) bands (ev): -41.2446 -41.2446 -21.3603 -21.3603 -19.2206 -19.2206 -18.7199 -18.7199 1.1543 1.1543 1.8881 1.8881 2.9485 2.9485 6.9889 6.9889 7.1529 7.1529 7.6630 7.6630 8.0420 8.0420 9.4591 9.4591 10.2991 10.2991 11.3038 11.3038 11.9679 11.9679 12.8824 12.8824 17.0306 17.0306 17.8899 17.8899 19.3415 19.3415 20.5773 20.5773 21.7715 21.7715 k = 0.0290 0.5892 0.4979 ( 4101 PWs) bands (ev): -41.2447 -41.2447 -21.3603 -21.3603 -19.2206 -19.2206 -18.7199 -18.7199 1.1531 1.1531 1.8866 1.8866 2.9528 2.9528 7.0139 7.0139 7.1242 7.1242 7.6719 7.6719 8.0273 8.0273 9.4629 9.4629 10.3103 10.3103 11.4005 11.4005 11.8645 11.8645 12.8646 12.8646 17.0419 17.0419 17.8844 17.8844 19.5034 19.5034 20.4065 20.4065 21.7573 21.7573 k = 0.0145 0.5856 0.5020 ( 4106 PWs) bands (ev): -41.2447 -41.2447 -21.3603 -21.3603 -19.2206 -19.2206 -18.7199 -18.7199 1.1523 1.1523 1.8857 1.8857 2.9554 2.9554 7.0394 7.0394 7.0965 7.0965 7.6778 7.6778 8.0180 8.0180 9.4652 9.4652 10.3172 10.3172 11.4910 11.4910 11.7697 11.7697 12.8541 12.8541 17.0484 17.0484 17.8810 17.8810 19.6439 19.6439 20.2603 20.2603 21.7490 21.7490 k = 0.0000 0.5821 0.5061 ( 4106 PWs) bands (ev): -41.2447 -41.2447 -21.3603 -21.3603 -19.2206 -19.2206 -18.7199 -18.7199 1.1521 1.1521 1.8854 1.8854 2.9562 2.9562 7.0592 7.0592 7.0760 7.0760 7.6798 7.6798 8.0148 8.0148 9.4659 9.4659 10.3195 10.3195 11.5410 11.5410 11.7183 11.7183 12.8506 12.8506 17.0506 17.0506 17.8799 17.8799 19.7096 19.7096 20.1927 20.1927 21.7463 21.7463 k = 0.0000 0.5821 0.5061 ( 4106 PWs) bands (ev): -41.2447 -41.2447 -21.3603 -21.3603 -19.2206 -19.2206 -18.7199 -18.7199 1.1521 1.1521 1.8854 1.8854 2.9562 2.9562 7.0592 7.0592 7.0760 7.0760 7.6798 7.6798 8.0148 8.0148 9.4659 9.4659 10.3195 10.3195 11.5410 11.5410 11.7183 11.7183 12.8506 12.8506 17.0506 17.0506 17.8799 17.8799 19.7096 19.7096 20.1927 20.1927 21.7463 21.7463 k = 0.0054 0.5725 0.5171 ( 4110 PWs) bands (ev): -41.2447 -41.2447 -21.3603 -21.3603 -19.2206 -19.2206 -18.7200 -18.7200 1.1521 1.1521 1.8854 1.8854 2.9566 2.9566 7.0579 7.0579 7.0781 7.0781 7.6800 7.6800 8.0146 8.0146 9.4661 9.4661 10.3164 10.3164 11.5402 11.5402 11.7236 11.7236 12.8528 12.8528 17.0521 17.0521 17.8784 17.8784 19.7099 19.7099 20.1940 20.1940 21.7434 21.7434 k = 0.0109 0.5629 0.5281 ( 4108 PWs) bands (ev): -41.2447 -41.2447 -21.3602 -21.3602 -19.2207 -19.2207 -18.7201 -18.7201 1.1523 1.1523 1.8852 1.8852 2.9577 2.9577 7.0553 7.0553 7.0833 7.0833 7.6808 7.6808 8.0140 8.0140 9.4666 9.4666 10.3071 10.3071 11.5381 11.5381 11.7388 11.7388 12.8593 12.8593 17.0565 17.0565 17.8740 17.8740 19.7109 19.7109 20.1976 20.1976 21.7346 21.7346 k = 0.0163 0.5534 0.5391 ( 4108 PWs) bands (ev): -41.2446 -41.2446 -21.3602 -21.3602 -19.2208 -19.2208 -18.7203 -18.7203 1.1526 1.1526 1.8850 1.8850 2.9595 2.9595 7.0523 7.0523 7.0905 7.0905 7.6822 7.6822 8.0131 8.0131 9.4674 9.4674 10.2919 10.2919 11.5356 11.5356 11.7628 11.7628 12.8701 12.8701 17.0638 17.0638 17.8668 17.8668 19.7126 19.7126 20.2037 20.2037 21.7199 21.7199 k = 0.0217 0.5438 0.5501 ( 4102 PWs) bands (ev): -41.2446 -41.2446 -21.3602 -21.3602 -19.2210 -19.2210 -18.7205 -18.7205 1.1530 1.1530 1.8847 1.8847 2.9620 2.9620 7.0493 7.0493 7.0992 7.0992 7.6841 7.6841 8.0119 8.0119 9.4685 9.4685 10.2715 10.2715 11.5334 11.5334 11.7944 11.7944 12.8851 12.8851 17.0740 17.0740 17.8569 17.8569 19.7149 19.7149 20.2119 20.2119 21.6989 21.6989 k = 0.0272 0.5342 0.5611 ( 4102 PWs) bands (ev): -41.2446 -41.2446 -21.3602 -21.3602 -19.2213 -19.2213 -18.7209 -18.7209 1.1535 1.1535 1.8842 1.8842 2.9652 2.9652 7.0465 7.0465 7.1091 7.1091 7.6867 7.6867 8.0106 8.0106 9.4699 9.4699 10.2463 10.2463 11.5320 11.5320 11.8326 11.8326 12.9044 12.9044 17.0871 17.0871 17.8443 17.8443 19.7179 19.7179 20.2222 20.2222 21.6716 21.6716 k = 0.0326 0.5247 0.5721 ( 4102 PWs) bands (ev): -41.2445 -41.2445 -21.3602 -21.3602 -19.2215 -19.2215 -18.7213 -18.7213 1.1540 1.1540 1.8837 1.8837 2.9690 2.9690 7.0436 7.0436 7.1202 7.1202 7.6901 7.6901 8.0093 8.0093 9.4716 9.4716 10.2171 10.2171 11.5316 11.5316 11.8763 11.8763 12.9277 12.9277 17.1030 17.1030 17.8292 17.8292 19.7215 19.7215 20.2344 20.2344 21.6377 21.6377 k = 0.0380 0.5151 0.5831 ( 4102 PWs) bands (ev): -41.2445 -41.2445 -21.3602 -21.3602 -19.2219 -19.2219 -18.7218 -18.7218 1.1547 1.1547 1.8831 1.8831 2.9736 2.9736 7.0405 7.0405 7.1325 7.1325 7.6943 7.6943 8.0083 8.0083 9.4736 9.4736 10.1846 10.1846 11.5323 11.5323 11.9248 11.9248 12.9550 12.9550 17.1217 17.1217 17.8119 17.8119 19.7257 19.7257 20.2481 20.2481 21.5971 21.5971 k = 0.0435 0.5055 0.5941 ( 4104 PWs) bands (ev): -41.2444 -41.2444 -21.3602 -21.3602 -19.2223 -19.2223 -18.7223 -18.7223 1.1555 1.1555 1.8825 1.8825 2.9788 2.9788 7.0371 7.0371 7.1457 7.1457 7.6995 7.6995 8.0077 8.0077 9.4757 9.4757 10.1494 10.1494 11.5340 11.5340 11.9776 11.9776 12.9862 12.9862 17.1431 17.1431 17.7924 17.7924 19.7304 19.7304 20.2631 20.2631 21.5496 21.5496 k = 0.0489 0.4960 0.6051 ( 4102 PWs) bands (ev): -41.2443 -41.2443 -21.3602 -21.3602 -19.2227 -19.2227 -18.7230 -18.7230 1.1563 1.1563 1.8817 1.8817 2.9846 2.9846 7.0333 7.0333 7.1597 7.1597 7.7058 7.7058 8.0078 8.0078 9.4781 9.4781 10.1120 10.1120 11.5367 11.5367 12.0340 12.0340 13.0212 13.0212 17.1672 17.1672 17.7711 17.7711 19.7355 19.7355 20.2790 20.2790 21.4953 21.4953 k = 0.0543 0.4864 0.6161 ( 4094 PWs) bands (ev): -41.2442 -41.2442 -21.3602 -21.3602 -19.2232 -19.2232 -18.7236 -18.7236 1.1572 1.1572 1.8809 1.8809 2.9910 2.9910 7.0289 7.0289 7.1743 7.1743 7.7134 7.7134 8.0087 8.0087 9.4806 9.4806 10.0732 10.0732 11.5404 11.5404 12.0936 12.0936 13.0597 13.0597 17.1938 17.1938 17.7483 17.7483 19.7410 19.7410 20.2955 20.2955 21.4344 21.4344 k = 0.0598 0.4768 0.6271 ( 4094 PWs) bands (ev): -41.2442 -41.2442 -21.3602 -21.3602 -19.2238 -19.2238 -18.7244 -18.7244 1.1581 1.1581 1.8800 1.8800 2.9980 2.9980 7.0237 7.0237 7.1893 7.1893 7.7224 7.7224 8.0108 8.0108 9.4831 9.4831 10.0334 10.0334 11.5449 11.5449 12.1560 12.1560 13.1017 13.1017 17.2227 17.2227 17.7241 17.7241 19.7467 19.7467 20.3121 20.3121 21.3670 21.3670 k = 0.0652 0.4673 0.6381 ( 4098 PWs) bands (ev): -41.2441 -41.2441 -21.3602 -21.3602 -19.2243 -19.2243 -18.7252 -18.7252 1.1590 1.1590 1.8790 1.8790 3.0055 3.0055 7.0177 7.0177 7.2044 7.2044 7.7331 7.7331 8.0143 8.0143 9.4857 9.4857 9.9930 9.9930 11.5502 11.5502 12.2208 12.2208 13.1470 13.1470 17.2538 17.2538 17.6989 17.6989 19.7524 19.7524 20.3285 20.3285 21.2936 21.2936 k = 0.0707 0.4577 0.6491 ( 4100 PWs) bands (ev): -41.2440 -41.2440 -21.3601 -21.3601 -19.2250 -19.2250 -18.7260 -18.7260 1.1600 1.1600 1.8779 1.8779 3.0136 3.0136 7.0107 7.0107 7.2194 7.2194 7.7455 7.7455 8.0193 8.0193 9.4882 9.4882 9.9525 9.9525 11.5563 11.5563 12.2879 12.2879 13.1953 13.1953 17.2869 17.2869 17.6732 17.6732 19.7581 19.7581 20.3440 20.3440 21.2147 21.2147 k = 0.0761 0.4481 0.6601 ( 4102 PWs) bands (ev): -41.2439 -41.2439 -21.3601 -21.3601 -19.2256 -19.2256 -18.7269 -18.7269 1.1610 1.1610 1.8768 1.8768 3.0221 3.0221 7.0028 7.0028 7.2341 7.2341 7.7599 7.7599 8.0260 8.0260 9.4904 9.4904 9.9122 9.9122 11.5630 11.5630 12.3568 12.3568 13.2465 13.2465 17.3213 17.3213 17.6475 17.6475 19.7634 19.7634 20.3580 20.3580 21.1310 21.1310 k = 0.0815 0.4386 0.6711 ( 4106 PWs) bands (ev): -41.2438 -41.2438 -21.3601 -21.3601 -19.2263 -19.2263 -18.7278 -18.7278 1.1620 1.1620 1.8757 1.8757 3.0310 3.0310 6.9937 6.9937 7.2481 7.2481 7.7764 7.7764 8.0347 8.0347 9.4922 9.4922 9.8727 9.8727 11.5705 11.5705 12.4275 12.4275 13.3003 13.3003 17.3563 17.3563 17.6228 17.6228 19.7680 19.7680 20.3695 20.3695 21.0436 21.0436 k = 0.0870 0.4290 0.6821 ( 4110 PWs) bands (ev): -41.2436 -41.2436 -21.3601 -21.3601 -19.2270 -19.2270 -18.7288 -18.7288 1.1630 1.1630 1.8744 1.8744 3.0404 3.0404 6.9835 6.9835 7.2612 7.2612 7.7951 7.7951 8.0454 8.0454 9.4933 9.4933 9.8344 9.8344 11.5786 11.5786 12.4996 12.4996 13.3566 13.3566 17.3900 17.3900 17.6010 17.6010 19.7715 19.7715 20.3773 20.3773 20.9538 20.9538 k = 0.0924 0.4194 0.6931 ( 4112 PWs) bands (ev): -41.2435 -41.2435 -21.3601 -21.3601 -19.2278 -19.2278 -18.7297 -18.7297 1.1640 1.1640 1.8732 1.8732 3.0501 3.0501 6.9723 6.9723 7.2732 7.2732 7.8161 7.8161 8.0583 8.0583 9.4935 9.4935 9.7979 9.7979 11.5873 11.5873 12.5732 12.5732 13.4151 13.4151 17.4184 17.4184 17.5861 17.5861 19.7734 19.7734 20.3791 20.3791 20.8642 20.8642 k = 0.0978 0.4099 0.7041 ( 4106 PWs) bands (ev): -41.2434 -41.2434 -21.3601 -21.3601 -19.2286 -19.2286 -18.7308 -18.7308 1.1650 1.1650 1.8719 1.8719 3.0600 3.0600 6.9599 6.9599 7.2841 7.2841 7.8392 7.8392 8.0733 8.0733 9.4921 9.4921 9.7636 9.7636 11.5966 11.5966 12.6481 12.6481 13.4755 13.4755 17.4341 17.4341 17.5856 17.5856 19.7726 19.7726 20.3713 20.3713 20.7783 20.7783 k = 0.1033 0.4003 0.7151 ( 4100 PWs) bands (ev): -41.2433 -41.2433 -21.3600 -21.3600 -19.2294 -19.2294 -18.7318 -18.7318 1.1659 1.1659 1.8706 1.8706 3.0703 3.0703 6.9466 6.9466 7.2937 7.2937 7.8646 7.8646 8.0905 8.0905 9.4886 9.4886 9.7326 9.7326 11.6066 11.6066 12.7241 12.7241 13.5377 13.5377 17.4319 17.4319 17.6048 17.6048 19.7682 19.7682 20.3486 20.3486 20.7017 20.7017 k = 0.1087 0.3907 0.7261 ( 4106 PWs) bands (ev): -41.2432 -41.2432 -21.3600 -21.3600 -19.2302 -19.2302 -18.7328 -18.7328 1.1667 1.1667 1.8693 1.8693 3.0807 3.0807 6.9324 6.9324 7.3020 7.3020 7.8919 7.8919 8.1099 8.1099 9.4821 9.4821 9.7055 9.7055 11.6171 11.6171 12.8012 12.8012 13.6014 13.6014 17.4160 17.4160 17.6392 17.6392 19.7582 19.7582 20.3050 20.3050 20.6402 20.6402 k = 0.1141 0.3812 0.7371 ( 4106 PWs) bands (ev): -41.2430 -41.2430 -21.3600 -21.3600 -19.2311 -19.2311 -18.7339 -18.7339 1.1676 1.1676 1.8679 1.8679 3.0913 3.0913 6.9174 6.9174 7.3091 7.3091 7.9211 7.9211 8.1313 8.1313 9.4719 9.4719 9.6834 9.6834 11.6282 11.6282 12.8794 12.8794 13.6664 13.6664 17.3935 17.3935 17.6819 17.6819 19.7399 19.7399 20.2392 20.2392 20.5937 20.5937 k = 0.1196 0.3716 0.7481 ( 4110 PWs) bands (ev): -41.2429 -41.2429 -21.3600 -21.3600 -19.2319 -19.2319 -18.7349 -18.7349 1.1684 1.1684 1.8666 1.8666 3.1020 3.1020 6.9017 6.9017 7.3149 7.3149 7.9518 7.9518 8.1547 8.1547 9.4576 9.4576 9.6668 9.6668 11.6399 11.6399 12.9585 12.9585 13.7322 13.7322 17.3679 17.3679 17.7292 17.7292 19.7092 19.7092 20.1572 20.1572 20.5518 20.5518 k = 0.1250 0.3621 0.7591 ( 4104 PWs) bands (ev): -41.2428 -41.2428 -21.3600 -21.3600 -19.2328 -19.2328 -18.7360 -18.7360 1.1691 1.1691 1.8652 1.8652 3.1127 3.1127 6.8855 6.8855 7.3196 7.3196 7.9839 7.9839 8.1799 8.1799 9.4392 9.4392 9.6555 9.6555 11.6522 11.6522 13.0387 13.0387 13.7988 13.7988 17.3412 17.3412 17.7791 17.7791 19.6608 19.6608 20.0664 20.0664 20.4955 20.4955 k = 0.1304 0.3525 0.7701 ( 4104 PWs) bands (ev): -41.2426 -41.2426 -21.3599 -21.3599 -19.2337 -19.2337 -18.7370 -18.7370 1.1697 1.1697 1.8638 1.8638 3.1235 3.1235 6.8688 6.8688 7.3232 7.3232 8.0170 8.0170 8.2067 8.2067 9.4176 9.4176 9.6489 9.6489 11.6651 11.6651 13.1197 13.1197 13.8658 13.8658 17.3140 17.3140 17.8306 17.8306 19.5892 19.5892 19.9706 19.9706 20.4126 20.4126 k = 0.1359 0.3429 0.7811 ( 4102 PWs) bands (ev): -41.2425 -41.2425 -21.3599 -21.3599 -19.2345 -19.2345 -18.7381 -18.7381 1.1703 1.1703 1.8625 1.8625 3.1341 3.1341 6.8518 6.8518 7.3259 7.3259 8.0510 8.0510 8.2349 8.2349 9.3938 9.3938 9.6460 9.6460 11.6784 11.6784 13.2017 13.2017 13.9330 13.9330 17.2870 17.2870 17.8832 17.8832 19.4920 19.4920 19.8685 19.8685 20.3227 20.3227 k = 0.1413 0.3334 0.7921 ( 4102 PWs) bands (ev): -41.2424 -41.2424 -21.3599 -21.3599 -19.2354 -19.2354 -18.7391 -18.7391 1.1709 1.1709 1.8612 1.8612 3.1447 3.1447 6.8347 6.8347 7.3278 7.3278 8.0854 8.0854 8.2643 8.2643 9.3687 9.3687 9.6458 9.6458 11.6924 11.6924 13.2846 13.2846 13.9999 13.9999 17.2603 17.2603 17.9361 17.9361 19.3709 19.3709 19.7578 19.7578 20.2491 20.2491 k = 0.1467 0.3238 0.8031 ( 4104 PWs) bands (ev): -41.2423 -41.2423 -21.3599 -21.3599 -19.2363 -19.2363 -18.7401 -18.7401 1.1713 1.1713 1.8599 1.8599 3.1551 3.1551 6.8176 6.8176 7.3291 7.3291 8.1202 8.1202 8.2946 8.2946 9.3432 9.3432 9.6477 9.6477 11.7068 11.7068 13.3684 13.3684 14.0664 14.0664 17.2343 17.2343 17.9888 17.9888 19.2304 19.2304 19.6401 19.6401 20.1969 20.1969 k = 0.1522 0.3142 0.8142 ( 4102 PWs) bands (ev): -41.2421 -41.2421 -21.3599 -21.3599 -19.2371 -19.2371 -18.7411 -18.7411 1.1717 1.1717 1.8586 1.8586 3.1653 3.1653 6.8006 6.8006 7.3297 7.3297 8.1550 8.1550 8.3254 8.3254 9.3179 9.3179 9.6510 9.6510 11.7216 11.7216 13.4531 13.4531 14.1322 14.1322 17.2090 17.2090 18.0407 18.0407 19.0759 19.0759 19.5196 19.5196 20.1617 20.1617 k = 0.1576 0.3047 0.8252 ( 4098 PWs) bands (ev): -41.2420 -41.2420 -21.3598 -21.3598 -19.2379 -19.2379 -18.7420 -18.7420 1.1721 1.1721 1.8574 1.8574 3.1753 3.1753 6.7839 6.7839 7.3298 7.3298 8.1896 8.1896 8.3564 8.3564 9.2931 9.2931 9.6554 9.6554 11.7369 11.7369 13.5386 13.5386 14.1969 14.1969 17.1846 17.1846 18.0906 18.0906 18.9128 18.9128 19.4003 19.4003 20.1377 20.1377 k = 0.1630 0.2951 0.8362 ( 4092 PWs) bands (ev): -41.2419 -41.2419 -21.3598 -21.3598 -19.2388 -19.2388 -18.7430 -18.7430 1.1724 1.1724 1.8562 1.8562 3.1849 3.1849 6.7675 6.7675 7.3296 7.3296 8.2238 8.2238 8.3872 8.3872 9.2692 9.2692 9.6605 9.6605 11.7524 11.7524 13.6250 13.6250 14.2602 14.2602 17.1612 17.1612 18.1368 18.1368 18.7462 18.7462 19.2844 19.2844 20.1205 20.1205 k = 0.1685 0.2855 0.8472 ( 4088 PWs) bands (ev): -41.2418 -41.2418 -21.3598 -21.3598 -19.2396 -19.2396 -18.7438 -18.7438 1.1726 1.1726 1.8551 1.8551 3.1942 3.1942 6.7516 6.7516 7.3290 7.3290 8.2575 8.2575 8.4175 8.4175 9.2464 9.2464 9.6662 9.6662 11.7683 11.7683 13.7121 13.7121 14.3218 14.3218 17.1389 17.1389 18.1747 18.1747 18.5831 18.5831 19.1735 19.1735 20.1072 20.1072 k = 0.1739 0.2760 0.8582 ( 4082 PWs) bands (ev): -41.2417 -41.2417 -21.3598 -21.3598 -19.2403 -19.2403 -18.7447 -18.7447 1.1728 1.1728 1.8540 1.8540 3.2031 3.2031 6.7362 6.7362 7.3281 7.3281 8.2904 8.2904 8.4470 8.4470 9.2248 9.2248 9.6723 9.6723 11.7842 11.7842 13.7999 13.7999 14.3814 14.3814 17.1176 17.1176 18.1879 18.1879 18.4415 18.4415 19.0688 19.0688 20.0961 20.0961 k = 0.1793 0.2664 0.8692 ( 4082 PWs) bands (ev): -41.2416 -41.2416 -21.3598 -21.3598 -19.2410 -19.2410 -18.7455 -18.7455 1.1730 1.1730 1.8530 1.8530 3.2116 3.2116 6.7215 6.7215 7.3271 7.3271 8.3225 8.3225 8.4752 8.4752 9.2047 9.2047 9.6786 9.6786 11.8002 11.8002 13.8882 13.8882 14.4388 14.4388 17.0976 17.0976 18.1265 18.1265 18.3718 18.3718 18.9718 18.9718 20.0860 20.0860 k = 0.1848 0.2568 0.8802 ( 4086 PWs) bands (ev): -41.2415 -41.2415 -21.3597 -21.3597 -19.2417 -19.2417 -18.7462 -18.7462 1.1731 1.1731 1.8520 1.8520 3.2196 3.2196 6.7076 6.7076 7.3259 7.3259 8.3535 8.3535 8.5018 8.5018 9.1861 9.1861 9.6850 9.6850 11.8161 11.8161 13.9767 13.9767 14.4935 14.4935 17.0786 17.0786 17.9915 17.9915 18.3724 18.3724 18.8844 18.8844 20.0762 20.0762 k = 0.1902 0.2473 0.8912 ( 4084 PWs) bands (ev): -41.2414 -41.2414 -21.3597 -21.3597 -19.2424 -19.2424 -18.7469 -18.7469 1.1732 1.1732 1.8511 1.8511 3.2271 3.2271 6.6945 6.6945 7.3247 7.3247 8.3834 8.3834 8.5265 8.5265 9.1692 9.1692 9.6914 9.6914 11.8318 11.8318 14.0652 14.0652 14.5455 14.5455 17.0609 17.0609 17.8369 17.8369 18.3876 18.3876 18.8100 18.8100 20.0663 20.0663 k = 0.1957 0.2377 0.9022 ( 4080 PWs) bands (ev): -41.2413 -41.2413 -21.3597 -21.3597 -19.2430 -19.2430 -18.7476 -18.7476 1.1732 1.1732 1.8503 1.8503 3.2341 3.2341 6.6823 6.6823 7.3234 7.3234 8.4119 8.4119 8.5489 8.5489 9.1539 9.1539 9.6977 9.6977 11.8470 11.8470 14.1531 14.1531 14.5945 14.5945 17.0442 17.0442 17.6809 17.6809 18.3959 18.3959 18.7532 18.7532 20.0560 20.0560 k = 0.2011 0.2281 0.9132 ( 4078 PWs) bands (ev): -41.2412 -41.2412 -21.3597 -21.3597 -19.2436 -19.2436 -18.7482 -18.7482 1.1732 1.1732 1.8495 1.8495 3.2404 3.2404 6.6711 6.6711 7.3222 7.3222 8.4389 8.4389 8.5689 8.5689 9.1404 9.1404 9.7037 9.7037 11.8616 11.8616 14.2399 14.2399 14.6402 14.6402 17.0283 17.0283 17.5290 17.5290 18.3884 18.3884 18.7187 18.7187 20.0455 20.0455 k = 0.2065 0.2186 0.9242 ( 4084 PWs) bands (ev): -41.2411 -41.2411 -21.3597 -21.3597 -19.2441 -19.2441 -18.7487 -18.7487 1.1732 1.1732 1.8488 1.8488 3.2462 3.2462 6.6609 6.6609 7.3210 7.3210 8.4642 8.4642 8.5862 8.5862 9.1285 9.1285 9.7095 9.7095 11.8754 11.8754 14.3244 14.3244 14.6827 14.6827 17.0129 17.0129 17.3844 17.3844 18.3640 18.3640 18.7065 18.7065 20.0348 20.0348 k = 0.2120 0.2090 0.9352 ( 4088 PWs) bands (ev): -41.2411 -41.2411 -21.3597 -21.3597 -19.2445 -19.2445 -18.7492 -18.7492 1.1732 1.1732 1.8482 1.8482 3.2514 3.2514 6.6518 6.6518 7.3198 7.3198 8.4878 8.4878 8.6007 8.6007 9.1184 9.1184 9.7148 9.7148 11.8882 11.8882 14.4056 14.4056 14.7220 14.7220 16.9967 16.9967 17.2503 17.2503 18.3285 18.3285 18.7101 18.7101 20.0243 20.0243 k = 0.2174 0.1994 0.9462 ( 4088 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2449 -19.2449 -18.7496 -18.7496 1.1732 1.1732 1.8476 1.8476 3.2559 3.2559 6.6438 6.6438 7.3188 7.3188 8.5095 8.5095 8.6123 8.6123 9.1100 9.1100 9.7197 9.7197 11.8998 11.8998 14.4818 14.4818 14.7581 14.7581 16.9751 16.9751 17.1331 17.1331 18.2893 18.2893 18.7219 18.7219 20.0141 20.0141 k = 0.2228 0.1899 0.9572 ( 4088 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2453 -19.2453 -18.7500 -18.7500 1.1732 1.1732 1.8472 1.8472 3.2598 3.2598 6.6370 6.6370 7.3179 7.3179 8.5290 8.5290 8.6210 8.6210 9.1031 9.1031 9.7239 9.7239 11.9100 11.9100 14.5506 14.5506 14.7915 14.7915 16.9330 16.9330 17.0502 17.0502 18.2516 18.2516 18.7366 18.7366 20.0047 20.0047 k = 0.2283 0.1803 0.9682 ( 4082 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2456 -19.2456 -18.7503 -18.7503 1.1732 1.1732 1.8468 1.8468 3.2629 3.2629 6.6314 6.6314 7.3171 7.3171 8.5461 8.5461 8.6270 8.6270 9.0978 9.0978 9.7275 9.7275 11.9187 11.9187 14.6097 14.6097 14.8221 14.8221 16.8614 16.8614 17.0133 17.0133 18.2184 18.2184 18.7512 18.7512 19.9964 19.9964 k = 0.2337 0.1707 0.9792 ( 4084 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2458 -19.2458 -18.7505 -18.7505 1.1732 1.1732 1.8465 1.8465 3.2654 3.2654 6.6270 6.6270 7.3165 7.3165 8.5605 8.5605 8.6306 8.6306 9.0938 9.0938 9.7304 9.7304 11.9256 11.9256 14.6567 14.6567 14.8497 14.8497 16.7873 16.7873 16.9981 16.9981 18.1914 18.1914 18.7638 18.7638 19.9896 19.9896 k = 0.2391 0.1612 0.9902 ( 4078 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2459 -19.2459 -18.7506 -18.7506 1.1731 1.1731 1.8463 1.8463 3.2672 3.2672 6.6239 6.6239 7.3161 7.3161 8.5717 8.5717 8.6323 8.6323 9.0910 9.0910 9.7325 9.7325 11.9306 11.9306 14.6901 14.6901 14.8726 14.8726 16.7282 16.7282 16.9903 16.9903 18.1716 18.1716 18.7734 18.7734 19.9845 19.9845 k = 0.2446 0.1516 1.0012 ( 4082 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2460 -19.2460 -18.7507 -18.7507 1.1731 1.1731 1.8462 1.8462 3.2683 3.2683 6.6220 6.6220 7.3158 7.3158 8.5790 8.5790 8.6327 8.6327 9.0894 9.0894 9.7337 9.7337 11.9337 11.9337 14.7097 14.7097 14.8882 14.8882 16.6906 16.6906 16.9862 16.9862 18.1595 18.1595 18.7793 18.7793 19.9813 19.9813 k = 0.2500 0.1420 1.0122 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2461 -19.2461 -18.7508 -18.7508 1.1731 1.1731 1.8462 1.8462 3.2686 3.2686 6.6213 6.6213 7.3157 7.3157 8.5815 8.5815 8.6327 8.6327 9.0889 9.0889 9.7342 9.7342 11.9347 11.9347 14.7161 14.7161 14.8937 14.8937 16.6777 16.6777 16.9849 16.9849 18.1554 18.1554 18.7813 18.7813 19.9802 19.9802 k = 0.2500 0.1420 1.0122 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2461 -19.2461 -18.7508 -18.7508 1.1731 1.1731 1.8462 1.8462 3.2686 3.2686 6.6213 6.6213 7.3157 7.3157 8.5815 8.5815 8.6327 8.6327 9.0889 9.0889 9.7342 9.7342 11.9347 11.9347 14.7161 14.7161 14.8937 14.8937 16.6777 16.6777 16.9849 16.9849 18.1554 18.1554 18.7813 18.7813 19.9802 19.9802 k = 0.2614 0.1485 1.0048 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2461 -19.2461 -18.7508 -18.7508 1.1727 1.1727 1.8467 1.8467 3.2686 3.2686 6.6215 6.6215 7.3156 7.3156 8.5796 8.5796 8.6283 8.6283 9.0937 9.0937 9.7362 9.7362 11.9348 11.9348 14.7076 14.7076 14.8991 14.8991 16.6713 16.6713 16.9932 16.9932 18.1581 18.1581 18.7809 18.7809 19.9510 19.9510 k = 0.2727 0.1549 0.9973 ( 4082 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2460 -19.2460 -18.7507 -18.7507 1.1715 1.1715 1.8484 1.8484 3.2684 3.2684 6.6219 6.6219 7.3152 7.3152 8.5713 8.5713 8.6182 8.6182 9.1073 9.1073 9.7423 9.7423 11.9350 11.9350 14.6830 14.6830 14.9152 14.9152 16.6535 16.6535 17.0155 17.0155 18.1663 18.1663 18.7796 18.7796 19.8773 19.8773 k = 0.2841 0.1614 0.9899 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2460 -19.2460 -18.7507 -18.7507 1.1696 1.1696 1.8511 1.8511 3.2681 3.2681 6.6226 6.6226 7.3145 7.3145 8.5518 8.5518 8.6097 8.6097 9.1273 9.1273 9.7524 9.7524 11.9351 11.9351 14.6463 14.6463 14.9393 14.9393 16.6276 16.6276 17.0473 17.0473 18.1803 18.1803 18.7776 18.7776 19.7809 19.7809 k = 0.2955 0.1679 0.9825 ( 4083 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2460 -19.2460 -18.7507 -18.7507 1.1671 1.1671 1.8548 1.8548 3.2675 3.2675 6.6237 6.6237 7.3135 7.3135 8.5214 8.5214 8.6054 8.6054 9.1509 9.1509 9.7664 9.7664 11.9349 11.9349 14.6022 14.6022 14.9683 14.9683 16.5970 16.5970 17.0838 17.0838 18.2002 18.2002 18.7751 18.7751 19.6751 19.6751 k = 0.3068 0.1743 0.9751 ( 4084 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2459 -19.2459 -18.7506 -18.7506 1.1640 1.1640 1.8594 1.8594 3.2668 3.2668 6.6250 6.6250 7.3123 7.3123 8.4842 8.4842 8.6033 8.6033 9.1757 9.1757 9.7841 9.7841 11.9340 11.9340 14.5540 14.5540 15.0003 15.0003 16.5637 16.5637 17.1217 17.1217 18.2260 18.2260 18.7721 18.7721 19.5661 19.5661 k = 0.3182 0.1808 0.9676 ( 4087 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2458 -19.2458 -18.7505 -18.7505 1.1604 1.1604 1.8648 1.8648 3.2658 3.2658 6.6267 6.6267 7.3108 7.3108 8.4434 8.4434 8.6022 8.6022 9.2000 9.2000 9.8055 9.8055 11.9320 11.9320 14.5043 14.5043 15.0341 15.0341 16.5293 16.5293 17.1590 17.1590 18.2573 18.2573 18.7686 18.7686 19.4571 19.4571 k = 0.3295 0.1872 0.9602 ( 4091 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2457 -19.2457 -18.7504 -18.7504 1.1565 1.1565 1.8709 1.8709 3.2645 3.2645 6.6286 6.6286 7.3091 7.3091 8.4011 8.4011 8.6015 8.6015 9.2226 9.2226 9.8301 9.8301 11.9283 11.9283 14.4550 14.4550 15.0691 15.0691 16.4943 16.4943 17.1941 17.1941 18.2933 18.2933 18.7646 18.7646 19.3505 19.3505 k = 0.3409 0.1937 0.9528 ( 4089 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2456 -19.2456 -18.7503 -18.7503 1.1523 1.1523 1.8775 1.8775 3.2629 3.2629 6.6308 6.6308 7.3073 7.3073 8.3584 8.3584 8.6009 8.6009 9.2428 9.2428 9.8576 9.8576 11.9222 11.9222 14.4080 14.4080 15.1049 15.1049 16.4594 16.4594 17.2262 17.2262 18.3329 18.3329 18.7601 18.7601 19.2477 19.2477 k = 0.3523 0.2001 0.9454 ( 4086 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2455 -19.2455 -18.7502 -18.7502 1.1480 1.1480 1.8845 1.8845 3.2610 3.2610 6.6332 6.6332 7.3052 7.3052 8.3164 8.3164 8.6004 8.6004 9.2604 9.2604 9.8872 9.8872 11.9130 11.9130 14.3649 14.3649 15.1413 15.1413 16.4249 16.4249 17.2548 17.2548 18.3743 18.3743 18.7549 18.7549 19.1509 19.1509 k = 0.3636 0.2066 0.9379 ( 4088 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2454 -19.2454 -18.7501 -18.7501 1.1438 1.1438 1.8918 1.8918 3.2587 3.2587 6.6358 6.6358 7.3030 7.3030 8.2755 8.2755 8.6000 8.6000 9.2753 9.2753 9.9184 9.9184 11.9000 11.9000 14.3269 14.3269 15.1781 15.1781 16.3910 16.3910 17.2799 17.2799 18.4148 18.4148 18.7484 18.7484 19.0630 19.0630 k = 0.3750 0.2131 0.9305 ( 4085 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2453 -19.2453 -18.7499 -18.7499 1.1396 1.1396 1.8991 1.8991 3.2561 3.2561 6.6386 6.6386 7.3008 7.3008 8.2363 8.2363 8.5995 8.5995 9.2876 9.2876 9.9505 9.9505 11.8825 11.8825 14.2953 14.2953 15.2152 15.2152 16.3579 16.3579 17.3014 17.3014 18.4503 18.4503 18.7395 18.7395 18.9888 18.9888 k = 0.3864 0.2195 0.9231 ( 4092 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2451 -19.2451 -18.7498 -18.7498 1.1357 1.1357 1.9063 1.9063 3.2531 3.2531 6.6416 6.6416 7.2985 7.2985 8.1991 8.1991 8.5990 8.5990 9.2975 9.2975 9.9829 9.9829 11.8599 11.8599 14.2710 14.2710 15.2524 15.2524 16.3257 16.3257 17.3195 17.3195 18.4745 18.4745 18.7268 18.7268 18.9356 18.9356 k = 0.3977 0.2260 0.9157 ( 4087 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2449 -19.2449 -18.7496 -18.7496 1.1321 1.1321 1.9134 1.9134 3.2497 3.2497 6.6447 6.6447 7.2962 7.2962 8.1642 8.1642 8.5986 8.5986 9.3053 9.3053 10.0148 10.0148 11.8318 11.8318 14.2545 14.2545 15.2896 15.2896 16.2946 16.2946 17.3343 17.3343 18.4791 18.4791 18.7112 18.7112 18.9104 18.9104 k = 0.4091 0.2324 0.9082 ( 4087 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2448 -19.2448 -18.7494 -18.7494 1.1288 1.1288 1.9202 1.9202 3.2459 3.2459 6.6480 6.6480 7.2941 7.2941 8.1317 8.1317 8.5983 8.5983 9.3112 9.3112 10.0456 10.0456 11.7981 11.7981 14.2460 14.2460 15.3268 15.3268 16.2649 16.2649 17.3461 17.3461 18.4590 18.4590 18.6978 18.6978 18.9129 18.9129 k = 0.4205 0.2389 0.9008 ( 4093 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2446 -19.2446 -18.7492 -18.7492 1.1261 1.1261 1.9265 1.9265 3.2418 3.2418 6.6514 6.6514 7.2921 7.2921 8.1017 8.1017 8.5980 8.5980 9.3155 9.3155 10.0749 10.0749 11.7590 11.7590 14.2451 14.2451 15.3640 15.3640 16.2368 16.2368 17.3550 17.3550 18.4189 18.4189 18.6887 18.6887 18.9359 18.9359 k = 0.4318 0.2453 0.8934 ( 4095 PWs) bands (ev): -41.2410 -41.2410 -21.3597 -21.3597 -19.2444 -19.2444 -18.7490 -18.7490 1.1238 1.1238 1.9323 1.9323 3.2372 3.2372 6.6550 6.6550 7.2904 7.2904 8.0744 8.0744 8.5979 8.5979 9.3184 9.3184 10.1019 10.1019 11.7149 11.7149 14.2512 14.2512 15.4009 15.4009 16.2107 16.2107 17.3611 17.3611 18.3685 18.3685 18.6817 18.6817 18.9720 18.9720 k = 0.4432 0.2518 0.8860 ( 4097 PWs) bands (ev): -41.2411 -41.2411 -21.3597 -21.3597 -19.2442 -19.2442 -18.7488 -18.7488 1.1221 1.1221 1.9375 1.9375 3.2323 3.2323 6.6587 6.6587 7.2890 7.2890 8.0498 8.0498 8.5979 8.5979 9.3200 9.3200 10.1261 10.1261 11.6667 11.6667 14.2630 14.2630 15.4376 15.4376 16.1873 16.1873 17.3647 17.3647 18.3156 18.3156 18.6747 18.6747 19.0155 19.0155 k = 0.4545 0.2582 0.8785 ( 4101 PWs) bands (ev): -41.2411 -41.2411 -21.3598 -21.3598 -19.2439 -19.2439 -18.7486 -18.7486 1.1210 1.1210 1.9420 1.9420 3.2270 3.2270 6.6627 6.6627 7.2879 7.2879 8.0277 8.0277 8.5980 8.5980 9.3204 9.3204 10.1468 10.1468 11.6155 11.6155 14.2791 14.2791 15.4739 15.4739 16.1672 16.1672 17.3659 17.3659 18.2645 18.2645 18.6669 18.6669 19.0630 19.0630 k = 0.4659 0.2647 0.8711 ( 4102 PWs) bands (ev): -41.2411 -41.2411 -21.3598 -21.3598 -19.2437 -19.2437 -18.7484 -18.7484 1.1205 1.1205 1.9457 1.9457 3.2215 3.2215 6.6668 6.6668 7.2874 7.2874 8.0081 8.0081 8.5984 8.5984 9.3198 9.3198 10.1633 10.1633 11.5626 11.5626 14.2974 14.2974 15.5096 15.5096 16.1517 16.1517 17.3649 17.3649 18.2176 18.2176 18.6581 18.6581 19.1124 19.1124 k = 0.4773 0.2712 0.8637 ( 4102 PWs) bands (ev): -41.2411 -41.2411 -21.3598 -21.3598 -19.2434 -19.2434 -18.7481 -18.7481 1.1206 1.1206 1.9487 1.9487 3.2156 3.2156 6.6711 6.6711 7.2873 7.2873 7.9910 7.9910 8.5990 8.5990 9.3184 9.3184 10.1747 10.1747 11.5095 11.5095 14.3159 14.3159 15.5445 15.5445 16.1418 16.1418 17.3622 17.3622 18.1761 18.1761 18.6484 18.6484 19.1624 19.1624 k = 0.4886 0.2776 0.8563 ( 4100 PWs) bands (ev): -41.2412 -41.2412 -21.3598 -21.3598 -19.2432 -19.2432 -18.7479 -18.7479 1.1213 1.1213 1.9508 1.9508 3.2095 3.2095 6.6757 6.6757 7.2878 7.2878 7.9762 7.9762 8.5998 8.5998 9.3161 9.3161 10.1803 10.1803 11.4579 11.4579 14.3322 14.3322 15.5781 15.5781 16.1392 16.1392 17.3580 17.3580 18.1408 18.1408 18.6378 18.6378 19.2126 19.2126 k = 0.5000 0.2841 0.8488 ( 4100 PWs) bands (ev): -41.2412 -41.2412 -21.3598 -21.3598 -19.2429 -19.2429 -18.7476 -18.7476 1.1226 1.1226 1.9521 1.9521 3.2032 3.2032 6.6806 6.6806 7.2888 7.2888 7.9636 7.9636 8.6009 8.6009 9.3131 9.3131 10.1792 10.1792 11.4095 11.4095 14.3441 14.3441 15.6099 15.6099 16.1454 16.1454 17.3529 17.3529 18.1118 18.1118 18.6262 18.6262 19.2627 19.2627 k = 0.5000 0.2841 0.8488 ( 4100 PWs) bands (ev): -41.2412 -41.2412 -21.3598 -21.3598 -19.2429 -19.2429 -18.7476 -18.7476 1.1226 1.1226 1.9521 1.9521 3.2032 3.2032 6.6806 6.6806 7.2888 7.2888 7.9636 7.9636 8.6009 8.6009 9.3131 9.3131 10.1792 10.1792 11.4095 11.4095 14.3441 14.3441 15.6099 15.6099 16.1454 16.1454 17.3529 17.3529 18.1118 18.1118 18.6262 18.6262 19.2627 19.2627 k = 0.5000 0.2841 0.8334 ( 4108 PWs) bands (ev): -41.2412 -41.2412 -21.3599 -21.3599 -19.2422 -19.2422 -18.7470 -18.7470 1.1260 1.1260 1.9541 1.9541 3.1894 3.1894 6.6913 6.6913 7.2917 7.2917 7.9390 7.9390 8.6036 8.6036 9.3056 9.3056 10.1687 10.1687 11.3114 11.3114 14.3632 14.3632 15.6762 15.6762 16.1692 16.1692 17.3398 17.3398 18.0594 18.0594 18.6005 18.6005 19.3703 19.3703 k = 0.5000 0.2841 0.8180 ( 4104 PWs) bands (ev): -41.2413 -41.2413 -21.3599 -21.3599 -19.2416 -19.2416 -18.7463 -18.7463 1.1297 1.1297 1.9562 1.9562 3.1745 3.1745 6.7026 6.7026 7.2947 7.2947 7.9129 7.9129 8.6067 8.6067 9.2972 9.2972 10.1570 10.1570 11.2101 11.2101 14.3832 14.3832 15.7466 15.7466 16.1937 16.1937 17.3223 17.3223 18.0105 18.0105 18.5732 18.5732 19.4846 19.4846 k = 0.5000 0.2841 0.8025 ( 4100 PWs) bands (ev): -41.2414 -41.2414 -21.3599 -21.3599 -19.2408 -19.2408 -18.7456 -18.7456 1.1336 1.1336 1.9585 1.9585 3.1586 3.1586 6.7144 6.7144 7.2980 7.2980 7.8857 7.8857 8.6102 8.6102 9.2879 9.2879 10.1441 10.1441 11.1067 11.1067 14.4040 14.4040 15.8208 15.8208 16.2186 16.2186 17.2999 17.2999 17.9672 17.9672 18.5445 18.5445 19.6043 19.6043 k = 0.5000 0.2841 0.7871 ( 4100 PWs) bands (ev): -41.2414 -41.2414 -21.3600 -21.3600 -19.2401 -19.2401 -18.7449 -18.7449 1.1377 1.1377 1.9610 1.9610 3.1417 3.1417 6.7263 6.7263 7.3014 7.3014 7.8576 7.8576 8.6141 8.6141 9.2775 9.2775 10.1298 10.1298 11.0020 11.0020 14.4255 14.4255 15.8984 15.8984 16.2430 16.2430 17.2726 17.2726 17.9311 17.9311 18.5147 18.5147 19.7284 19.7284 k = 0.5000 0.2841 0.7717 ( 4090 PWs) bands (ev): -41.2415 -41.2415 -21.3600 -21.3600 -19.2392 -19.2392 -18.7441 -18.7441 1.1421 1.1421 1.9637 1.9637 3.1238 3.1238 6.7384 6.7384 7.3051 7.3051 7.8288 7.8288 8.6183 8.6183 9.2659 9.2659 10.1137 10.1137 10.8971 10.8971 14.4478 14.4478 15.9790 15.9790 16.2661 16.2661 17.2412 17.2412 17.9030 17.9030 18.4841 18.4841 19.8559 19.8559 k = 0.5000 0.2841 0.7562 ( 4088 PWs) bands (ev): -41.2416 -41.2416 -21.3601 -21.3601 -19.2384 -19.2384 -18.7433 -18.7433 1.1466 1.1466 1.9666 1.9666 3.1051 3.1051 6.7503 6.7503 7.3089 7.3089 7.7996 7.7996 8.6229 8.6229 9.2530 9.2530 10.0954 10.0954 10.7932 10.7932 14.4709 14.4709 16.0616 16.0616 16.2871 16.2871 17.2076 17.2076 17.8832 17.8832 18.4527 18.4527 19.9860 19.9860 k = 0.5000 0.2841 0.7408 ( 4094 PWs) bands (ev): -41.2417 -41.2417 -21.3601 -21.3601 -19.2374 -19.2374 -18.7424 -18.7424 1.1513 1.1513 1.9697 1.9697 3.0855 3.0855 6.7619 6.7619 7.3130 7.3130 7.7704 7.7704 8.6278 8.6278 9.2385 9.2385 10.0744 10.0744 10.6916 10.6916 14.4946 14.4946 16.1446 16.1446 16.3054 16.3054 17.1745 17.1745 17.8710 17.8710 18.4210 18.4210 20.1177 20.1177 k = 0.5000 0.2841 0.7254 ( 4090 PWs) bands (ev): -41.2418 -41.2418 -21.3602 -21.3602 -19.2365 -19.2365 -18.7415 -18.7415 1.1562 1.1562 1.9730 1.9730 3.0652 3.0652 6.7729 6.7729 7.3173 7.3173 7.7413 7.7413 8.6330 8.6330 9.2221 9.2221 10.0498 10.0498 10.5939 10.5939 14.5190 14.5190 16.2219 16.2219 16.3246 16.3246 17.1455 17.1455 17.8657 17.8657 18.3892 18.3892 20.2503 20.2503 k = 0.5000 0.2841 0.7099 ( 4084 PWs) bands (ev): -41.2419 -41.2419 -21.3602 -21.3602 -19.2355 -19.2355 -18.7405 -18.7405 1.1612 1.1612 1.9766 1.9766 3.0442 3.0442 6.7830 6.7830 7.3220 7.3220 7.7128 7.7128 8.6385 8.6385 9.2035 9.2035 10.0204 10.0204 10.5020 10.5020 14.5442 14.5442 16.2687 16.2687 16.3666 16.3666 17.1241 17.1241 17.8663 17.8663 18.3577 18.3577 20.3829 20.3829 k = 0.5000 0.2841 0.6945 ( 4084 PWs) bands (ev): -41.2420 -41.2420 -21.3603 -21.3603 -19.2345 -19.2345 -18.7395 -18.7395 1.1664 1.1664 1.9803 1.9803 3.0225 3.0225 6.7919 6.7919 7.3269 7.3269 7.6851 7.6851 8.6442 8.6442 9.1823 9.1823 9.9850 9.9850 10.4182 10.4182 14.5700 14.5700 16.2717 16.2717 16.4425 16.4425 17.1135 17.1135 17.8719 17.8719 18.3269 18.3269 20.5149 20.5149 k = 0.5000 0.2841 0.6791 ( 4088 PWs) bands (ev): -41.2421 -41.2421 -21.3603 -21.3603 -19.2334 -19.2334 -18.7385 -18.7385 1.1716 1.1716 1.9843 1.9843 3.0003 3.0003 6.7992 6.7992 7.3323 7.3323 7.6587 7.6587 8.6501 8.6501 9.1580 9.1580 9.9423 9.9423 10.3446 10.3446 14.5965 14.5965 16.2520 16.2520 16.5295 16.5295 17.1157 17.1157 17.8816 17.8816 18.2974 18.2974 20.6456 20.6456 k = 0.5000 0.2841 0.6636 ( 4082 PWs) bands (ev): -41.2422 -41.2422 -21.3604 -21.3604 -19.2323 -19.2323 -18.7375 -18.7375 1.1769 1.1769 1.9885 1.9885 2.9775 2.9775 6.8046 6.8046 7.3380 7.3380 7.6338 7.6338 8.6561 8.6561 9.1298 9.1298 9.8920 9.8920 10.2824 10.2824 14.6238 14.6238 16.2179 16.2179 16.6187 16.6187 17.1312 17.1312 17.8950 17.8950 18.2698 18.2698 20.7742 20.7742 k = 0.5000 0.2841 0.6482 ( 4086 PWs) bands (ev): -41.2423 -41.2423 -21.3605 -21.3605 -19.2312 -19.2312 -18.7364 -18.7364 1.1822 1.1822 1.9929 1.9929 2.9543 2.9543 6.8077 6.8077 7.3442 7.3442 7.6108 7.6108 8.6623 8.6623 9.0972 9.0972 9.8356 9.8356 10.2313 10.2313 14.6516 14.6516 16.1728 16.1728 16.7077 16.7077 17.1592 17.1592 17.9116 17.9116 18.2448 18.2448 20.9001 20.9001 k = 0.5000 0.2841 0.6328 ( 4086 PWs) bands (ev): -41.2424 -41.2424 -21.3605 -21.3605 -19.2300 -19.2300 -18.7353 -18.7353 1.1875 1.1875 1.9975 1.9975 2.9307 2.9307 6.8084 6.8084 7.3508 7.3508 7.5902 7.5902 8.6683 8.6683 9.0593 9.0593 9.7758 9.7758 10.1896 10.1896 14.6802 14.6802 16.1191 16.1191 16.7951 16.7951 17.1977 17.1977 17.9313 17.9313 18.2235 18.2235 21.0227 21.0227 k = 0.5000 0.2841 0.6173 ( 4086 PWs) bands (ev): -41.2425 -41.2425 -21.3606 -21.3606 -19.2289 -19.2289 -18.7342 -18.7342 1.1929 1.1929 2.0024 2.0024 2.9069 2.9069 6.8062 6.8062 7.3577 7.3577 7.5721 7.5721 8.6741 8.6741 9.0156 9.0156 9.7159 9.7159 10.1551 10.1551 14.7093 14.7093 16.0591 16.0591 16.8802 16.8802 17.2440 17.2440 17.9542 17.9542 18.2070 18.2070 21.1414 21.1414 k = 0.5000 0.2841 0.6019 ( 4086 PWs) bands (ev): -41.2426 -41.2426 -21.3607 -21.3607 -19.2277 -19.2277 -18.7330 -18.7330 1.1981 1.1981 2.0075 2.0075 2.8827 2.8827 6.8010 6.8010 7.3646 7.3646 7.5572 7.5572 8.6794 8.6794 8.9660 8.9660 9.6586 9.6586 10.1257 10.1257 14.7390 14.7390 15.9948 15.9948 16.9624 16.9624 17.2948 17.2948 17.9806 17.9806 18.1969 18.1969 21.2555 21.2555 k = 0.5000 0.2841 0.5865 ( 4086 PWs) bands (ev): -41.2427 -41.2427 -21.3607 -21.3607 -19.2264 -19.2264 -18.7318 -18.7318 1.2034 1.2034 2.0128 2.0128 2.8585 2.8585 6.7927 6.7927 7.3712 7.3712 7.5458 7.5458 8.6833 8.6833 8.9111 8.9111 9.6059 9.6059 10.0999 10.0999 14.7692 14.7692 15.9278 15.9278 17.0414 17.0414 17.3466 17.3466 18.0110 18.0110 18.1951 18.1951 21.3645 21.3645 k = 0.5000 0.2841 0.5710 ( 4094 PWs) bands (ev): -41.2428 -41.2428 -21.3608 -21.3608 -19.2252 -19.2252 -18.7307 -18.7307 1.2085 1.2085 2.0184 2.0184 2.8341 2.8341 6.7815 6.7815 7.3769 7.3769 7.5383 7.5383 8.6841 8.6841 8.8533 8.8533 9.5587 9.5587 10.0763 10.0763 14.7998 14.7998 15.8593 15.8593 17.1170 17.1170 17.3960 17.3960 18.0451 18.0451 18.2044 18.2044 21.4677 21.4677 k = 0.5000 0.2841 0.5556 ( 4102 PWs) bands (ev): -41.2429 -41.2429 -21.3609 -21.3609 -19.2240 -19.2240 -18.7295 -18.7295 1.2134 1.2134 2.0242 2.0242 2.8097 2.8097 6.7673 6.7673 7.3811 7.3811 7.5351 7.5351 8.6759 8.6759 8.7991 8.7991 9.5172 9.5172 10.0544 10.0544 14.8307 14.8307 15.7903 15.7903 17.1881 17.1881 17.4409 17.4409 18.0808 18.0808 18.2291 18.2291 21.5644 21.5644 k = 0.5000 0.2841 0.5402 ( 4096 PWs) bands (ev): -41.2431 -41.2431 -21.3609 -21.3609 -19.2227 -19.2227 -18.7282 -18.7282 1.2183 1.2183 2.0303 2.0303 2.7854 2.7854 6.7505 6.7505 7.3833 7.3833 7.5365 7.5365 8.6453 8.6453 8.7633 8.7633 9.4809 9.4809 10.0336 10.0336 14.8617 14.8617 15.7217 15.7217 17.2523 17.2523 17.4821 17.4821 18.1144 18.1144 18.2738 18.2738 21.6538 21.6538 k = 0.5000 0.2841 0.5247 ( 4096 PWs) bands (ev): -41.2432 -41.2432 -21.3610 -21.3610 -19.2214 -19.2214 -18.7270 -18.7270 1.2229 1.2229 2.0366 2.0366 2.7612 2.7612 6.7313 6.7313 7.3834 7.3834 7.5421 7.5421 8.5880 8.5880 8.7513 8.7513 9.4493 9.4493 10.0135 10.0135 14.8925 14.8925 15.6543 15.6543 17.3047 17.3047 17.5244 17.5244 18.1444 18.1444 18.3396 18.3396 21.7350 21.7350 k = 0.5000 0.2841 0.5093 ( 4092 PWs) bands (ev): -41.2433 -41.2433 -21.3611 -21.3611 -19.2201 -19.2201 -18.7258 -18.7258 1.2274 1.2274 2.0431 2.0431 2.7372 2.7372 6.7101 6.7101 7.3813 7.3813 7.5513 7.5513 8.5180 8.5180 8.7508 8.7508 9.4215 9.4215 9.9938 9.9938 14.9228 14.9228 15.5889 15.5889 17.3399 17.3399 17.5747 17.5747 18.1721 18.1721 18.4230 18.4230 21.8072 21.8072 k = 0.5000 0.2841 0.4939 ( 4088 PWs) bands (ev): -41.2434 -41.2434 -21.3612 -21.3612 -19.2189 -19.2189 -18.7246 -18.7246 1.2316 1.2316 2.0498 2.0498 2.7134 2.7134 6.6871 6.6871 7.3774 7.3774 7.5632 7.5632 8.4438 8.4438 8.7542 8.7542 9.3969 9.3969 9.9744 9.9744 14.9520 14.9520 15.5262 15.5262 17.3564 17.3564 17.6368 17.6368 18.1992 18.1992 18.5198 18.5198 21.8692 21.8692 k = 0.5000 0.2841 0.4784 ( 4088 PWs) bands (ev): -41.2435 -41.2435 -21.3612 -21.3612 -19.2176 -19.2176 -18.7233 -18.7233 1.2355 1.2355 2.0567 2.0567 2.6900 2.6900 6.6628 6.6628 7.3719 7.3719 7.5768 7.5768 8.3692 8.3692 8.7594 8.7594 9.3749 9.3749 9.9551 9.9551 14.9791 14.9791 15.4675 15.4675 17.3578 17.3578 17.7090 17.7090 18.2268 18.2268 18.6266 18.6266 21.9200 21.9200 k = 0.5000 0.2841 0.4630 ( 4084 PWs) bands (ev): -41.2436 -41.2436 -21.3613 -21.3613 -19.2163 -19.2163 -18.7221 -18.7221 1.2392 1.2392 2.0639 2.0639 2.6670 2.6670 6.6374 6.6374 7.3648 7.3648 7.5909 7.5909 8.2964 8.2964 8.7652 8.7652 9.3549 9.3549 9.9358 9.9358 15.0025 15.0025 15.4144 15.4144 17.3488 17.3488 17.7883 17.7883 18.2555 18.2555 18.7409 18.7409 21.9587 21.9587 k = 0.5000 0.2841 0.4476 ( 4082 PWs) bands (ev): -41.2438 -41.2438 -21.3614 -21.3614 -19.2150 -19.2150 -18.7209 -18.7209 1.2426 1.2426 2.0712 2.0712 2.6444 2.6444 6.6111 6.6111 7.3563 7.3563 7.6043 7.6043 8.2274 8.2274 8.7714 8.7714 9.3367 9.3367 9.9165 9.9165 15.0198 15.0198 15.3698 15.3698 17.3331 17.3331 17.8720 17.8720 18.2858 18.2858 18.8608 18.8608 21.9850 21.9850 k = 0.5000 0.2841 0.4321 ( 4088 PWs) bands (ev): -41.2439 -41.2439 -21.3615 -21.3615 -19.2138 -19.2138 -18.7197 -18.7197 1.2456 1.2456 2.0787 2.0787 2.6223 2.6223 6.5844 6.5844 7.3460 7.3460 7.6158 7.6158 8.1641 8.1641 8.7777 8.7777 9.3199 9.3199 9.8972 9.8972 15.0271 15.0271 15.3372 15.3372 17.3129 17.3129 17.9584 17.9584 18.3182 18.3182 18.9849 18.9849 21.9989 21.9989 k = 0.5000 0.2841 0.4167 ( 4076 PWs) bands (ev): -41.2440 -41.2440 -21.3615 -21.3615 -19.2125 -19.2125 -18.7185 -18.7185 1.2483 1.2483 2.0864 2.0864 2.6008 2.6008 6.5574 6.5574 7.3337 7.3337 7.6237 7.6237 8.1087 8.1087 8.7839 8.7839 9.3041 9.3041 9.8777 9.8777 15.0208 15.0208 15.3204 15.3204 17.2898 17.2898 18.0455 18.0455 18.3541 18.3541 19.1123 19.1123 22.0015 22.0015 k = 0.5000 0.2841 0.4013 ( 4088 PWs) bands (ev): -41.2441 -41.2441 -21.3616 -21.3616 -19.2113 -19.2113 -18.7173 -18.7173 1.2507 1.2507 2.0942 2.0942 2.5798 2.5798 6.5303 6.5303 7.3188 7.3188 7.6263 7.6263 8.0636 8.0636 8.7900 8.7900 9.2893 9.2893 9.8582 9.8582 15.0005 15.0005 15.3198 15.3198 17.2649 17.2649 18.1304 18.1304 18.3959 18.3959 19.2421 19.2421 21.9942 21.9942 k = 0.5000 0.2841 0.3858 ( 4084 PWs) bands (ev): -41.2442 -41.2442 -21.3617 -21.3617 -19.2101 -19.2101 -18.7161 -18.7161 1.2527 1.2527 2.1021 2.1021 2.5596 2.5596 6.5033 6.5033 7.3007 7.3007 7.6222 7.6222 8.0310 8.0310 8.7960 8.7960 9.2753 9.2753 9.8385 9.8385 14.9693 14.9693 15.3323 15.3323 17.2387 17.2387 18.2087 18.2087 18.4475 18.4475 19.3736 19.3736 21.9788 21.9788 k = 0.5000 0.2841 0.3704 ( 4084 PWs) bands (ev): -41.2443 -41.2443 -21.3618 -21.3618 -19.2089 -19.2089 -18.7150 -18.7150 1.2544 1.2544 2.1102 2.1102 2.5400 2.5400 6.4765 6.4765 7.2789 7.2789 7.6112 7.6112 8.0117 8.0117 8.8017 8.8017 9.2619 9.2619 9.8187 9.8187 14.9317 14.9317 15.3533 15.3533 17.2120 17.2120 18.2754 18.2754 18.5138 18.5138 19.5063 19.5063 21.9570 21.9570 k = 0.5000 0.2841 0.3550 ( 4084 PWs) bands (ev): -41.2444 -41.2444 -21.3618 -21.3618 -19.2077 -19.2077 -18.7139 -18.7139 1.2558 1.2558 2.1183 2.1183 2.5212 2.5212 6.4502 6.4502 7.2528 7.2528 7.5947 7.5947 8.0049 8.0049 8.8071 8.8071 9.2491 9.2491 9.7988 9.7988 14.8911 14.8911 15.3795 15.3795 17.1850 17.1850 18.3287 18.3287 18.5965 18.5965 19.6398 19.6398 21.9306 21.9306 k = 0.5000 0.2841 0.3395 ( 4088 PWs) bands (ev): -41.2445 -41.2445 -21.3619 -21.3619 -19.2066 -19.2066 -18.7128 -18.7128 1.2568 1.2568 2.1264 2.1264 2.5031 2.5031 6.4243 6.4243 7.2221 7.2221 7.5753 7.5753 8.0084 8.0084 8.8121 8.8121 9.2368 9.2368 9.7789 9.7789 14.8494 14.8494 15.4085 15.4085 17.1580 17.1580 18.3708 18.3708 18.6930 18.6930 19.7735 19.7735 21.9009 21.9009 k = 0.5000 0.2841 0.3241 ( 4084 PWs) bands (ev): -41.2446 -41.2446 -21.3620 -21.3620 -19.2055 -19.2055 -18.7117 -18.7117 1.2574 1.2574 2.1346 2.1346 2.4858 2.4858 6.3992 6.3992 7.1869 7.1869 7.5555 7.5555 8.0196 8.0196 8.8168 8.8168 9.2248 9.2248 9.7590 9.7590 14.8080 14.8080 15.4393 15.4393 17.1314 17.1314 18.4054 18.4054 18.7994 18.7994 19.9072 19.9072 21.8690 21.8690 k = 0.5000 0.2841 0.3087 ( 4088 PWs) bands (ev): -41.2447 -41.2447 -21.3620 -21.3620 -19.2044 -19.2044 -18.7106 -18.7106 1.2577 1.2577 2.1427 2.1427 2.4693 2.4693 6.3747 6.3747 7.1478 7.1478 7.5371 7.5371 8.0363 8.0363 8.8210 8.8210 9.2132 9.2132 9.7391 9.7391 14.7674 14.7674 15.4709 15.4709 17.1052 17.1052 18.4353 18.4353 18.9130 18.9130 20.0405 20.0405 21.8358 21.8358 k = 0.5000 0.2841 0.2932 ( 4094 PWs) bands (ev): -41.2448 -41.2448 -21.3621 -21.3621 -19.2034 -19.2034 -18.7096 -18.7096 1.2578 1.2578 2.1508 2.1508 2.4537 2.4537 6.3511 6.3511 7.1057 7.1057 7.5207 7.5207 8.0568 8.0568 8.8247 8.8247 9.2018 9.2018 9.7194 9.7194 14.7283 14.7283 15.5027 15.5027 17.0797 17.0797 18.4619 18.4619 19.0318 19.0318 20.1730 20.1730 21.8020 21.8020 k = 0.5000 0.2841 0.2778 ( 4090 PWs) bands (ev): -41.2449 -41.2449 -21.3621 -21.3621 -19.2023 -19.2023 -18.7087 -18.7087 1.2575 1.2575 2.1588 2.1588 2.4389 2.4389 6.3283 6.3283 7.0618 7.0618 7.5066 7.5066 8.0800 8.0800 8.8279 8.8279 9.1908 9.1908 9.6999 9.6999 14.6908 14.6908 15.5344 15.5344 17.0549 17.0549 18.4861 18.4861 19.1549 19.1549 20.3045 20.3045 21.7682 21.7682 k = 0.5000 0.2841 0.2624 ( 4098 PWs) bands (ev): -41.2450 -41.2450 -21.3622 -21.3622 -19.2014 -19.2014 -18.7077 -18.7077 1.2570 1.2570 2.1666 2.1666 2.4250 2.4250 6.3065 6.3065 7.0169 7.0169 7.4947 7.4947 8.1050 8.1050 8.8305 8.8305 9.1800 9.1800 9.6806 9.6806 14.6550 14.6550 15.5657 15.5657 17.0311 17.0311 18.5085 18.5085 19.2814 19.2814 20.4347 20.4347 21.7349 21.7349 k = 0.5000 0.2841 0.2469 ( 4098 PWs) bands (ev): -41.2451 -41.2451 -21.3623 -21.3623 -19.2004 -19.2004 -18.7068 -18.7068 1.2563 1.2563 2.1743 2.1743 2.4120 2.4120 6.2858 6.2858 6.9719 6.9719 7.4845 7.4845 8.1312 8.1312 8.8324 8.8324 9.1695 9.1695 9.6618 9.6618 14.6212 14.6212 15.5963 15.5963 17.0082 17.0082 18.5292 18.5292 19.4107 19.4107 20.5633 20.5633 21.7023 21.7023 k = 0.5000 0.2841 0.2315 ( 4090 PWs) bands (ev): -41.2452 -41.2452 -21.3623 -21.3623 -19.1996 -19.1996 -18.7060 -18.7060 1.2554 1.2554 2.1818 2.1818 2.3998 2.3998 6.2660 6.2660 6.9276 6.9276 7.4758 7.4758 8.1582 8.1582 8.8336 8.8336 9.1591 9.1591 9.6434 9.6434 14.5894 14.5894 15.6260 15.6260 16.9864 16.9864 18.5484 18.5484 19.5422 19.5422 20.6900 20.6900 21.6709 21.6709 k = 0.5000 0.2841 0.2161 ( 4086 PWs) bands (ev): -41.2452 -41.2452 -21.3624 -21.3624 -19.1987 -19.1987 -18.7052 -18.7052 1.2543 1.2543 2.1890 2.1890 2.3885 2.3885 6.2474 6.2474 6.8846 6.8846 7.4683 7.4683 8.1857 8.1857 8.8341 8.8341 9.1491 9.1491 9.6257 9.6257 14.5596 14.5596 15.6546 15.6546 16.9658 16.9658 18.5663 18.5663 19.6752 19.6752 20.8147 20.8147 21.6409 21.6409 k = 0.5000 0.2841 0.2006 ( 4094 PWs) bands (ev): -41.2453 -41.2453 -21.3624 -21.3624 -19.1979 -19.1979 -18.7044 -18.7044 1.2531 1.2531 2.1959 2.1959 2.3781 2.3781 6.2299 6.2299 6.8433 6.8433 7.4619 7.4619 8.2133 8.2133 8.8338 8.8338 9.1393 9.1393 9.6086 9.6086 14.5319 14.5319 15.6820 15.6820 16.9463 16.9463 18.5828 18.5828 19.8091 19.8091 20.9371 20.9371 21.6125 21.6125 k = 0.5000 0.2841 0.1852 ( 4082 PWs) bands (ev): -41.2454 -41.2454 -21.3625 -21.3625 -19.1972 -19.1972 -18.7037 -18.7037 1.2518 1.2518 2.2024 2.2024 2.3685 2.3685 6.2136 6.2136 6.8041 6.8041 7.4563 7.4563 8.2410 8.2410 8.8326 8.8326 9.1299 9.1299 9.5923 9.5923 14.5063 14.5063 15.7080 15.7080 16.9281 16.9281 18.5981 18.5981 19.9429 19.9429 21.0571 21.0571 21.5860 21.5860 k = 0.5000 0.2841 0.1698 ( 4086 PWs) bands (ev): -41.2454 -41.2454 -21.3625 -21.3625 -19.1965 -19.1965 -18.7030 -18.7030 1.2504 1.2504 2.2086 2.2086 2.3598 2.3598 6.1985 6.1985 6.7673 6.7673 7.4515 7.4515 8.2684 8.2684 8.8305 8.8305 9.1208 9.1208 9.5770 9.5770 14.4827 14.4827 15.7325 15.7325 16.9112 16.9112 18.6121 18.6121 20.0757 20.0757 21.1742 21.1742 21.5619 21.5619 k = 0.5000 0.2841 0.1543 ( 4090 PWs) bands (ev): -41.2455 -41.2455 -21.3625 -21.3625 -19.1959 -19.1959 -18.7024 -18.7024 1.2490 1.2490 2.2144 2.2144 2.3519 2.3519 6.1847 6.1847 6.7332 6.7332 7.4473 7.4473 8.2953 8.2953 8.8274 8.8274 9.1122 9.1122 9.5627 9.5627 14.4613 14.4613 15.7552 15.7552 16.8956 16.8956 18.6249 18.6249 20.2061 20.2061 21.2874 21.2874 21.5413 21.5413 k = 0.5000 0.2841 0.1389 ( 4090 PWs) bands (ev): -41.2456 -41.2456 -21.3626 -21.3626 -19.1953 -19.1953 -18.7018 -18.7018 1.2476 1.2476 2.2197 2.2197 2.3449 2.3449 6.1721 6.1721 6.7018 6.7018 7.4436 7.4436 8.3215 8.3215 8.8235 8.8235 9.1041 9.1041 9.5495 9.5495 14.4419 14.4419 15.7762 15.7762 16.8814 16.8814 18.6364 18.6364 20.3328 20.3328 21.3919 21.3919 21.5292 21.5292 k = 0.5000 0.2841 0.1235 ( 4088 PWs) bands (ev): -41.2456 -41.2456 -21.3626 -21.3626 -19.1948 -19.1948 -18.7013 -18.7013 1.2463 1.2463 2.2245 2.2245 2.3387 2.3387 6.1608 6.1608 6.6734 6.6734 7.4405 7.4405 8.3466 8.3466 8.8186 8.8186 9.0967 9.0967 9.5374 9.5374 14.4245 14.4245 15.7953 15.7953 16.8686 16.8686 18.6467 18.6467 20.4540 20.4540 21.4562 21.4562 21.5573 21.5573 k = 0.5000 0.2841 0.1080 ( 4082 PWs) bands (ev): -41.2456 -41.2456 -21.3626 -21.3626 -19.1943 -19.1943 -18.7009 -18.7009 1.2450 1.2450 2.2288 2.2288 2.3333 2.3333 6.1507 6.1507 6.6481 6.6481 7.4378 7.4378 8.3706 8.3706 8.8131 8.8131 9.0899 9.0899 9.5267 9.5267 14.4093 14.4093 15.8124 15.8124 16.8572 16.8572 18.6558 18.6558 20.5678 20.5678 21.4587 21.4587 21.6468 21.6468 k = 0.5000 0.2841 0.0926 ( 4086 PWs) bands (ev): -41.2457 -41.2457 -21.3627 -21.3627 -19.1939 -19.1939 -18.7005 -18.7005 1.2438 1.2438 2.2325 2.2325 2.3287 2.3287 6.1420 6.1420 6.6259 6.6259 7.4354 7.4354 8.3929 8.3929 8.8069 8.8069 9.0839 9.0839 9.5172 9.5172 14.3961 14.3961 15.8274 15.8274 16.8473 16.8473 18.6637 18.6637 20.6721 20.6721 21.4478 21.4478 21.7492 21.7492 k = 0.5000 0.2841 0.0772 ( 4090 PWs) bands (ev): -41.2457 -41.2457 -21.3627 -21.3627 -19.1936 -19.1936 -18.7002 -18.7002 1.2428 1.2428 2.2357 2.2357 2.3248 2.3248 6.1346 6.1346 6.6071 6.6071 7.4335 7.4335 8.4132 8.4132 8.8005 8.8005 9.0787 9.0787 9.5092 9.5092 14.3849 14.3849 15.8402 15.8402 16.8389 16.8389 18.6703 18.6703 20.7648 20.7648 21.4359 21.4359 21.8507 21.8507 k = 0.5000 0.2841 0.0617 ( 4086 PWs) bands (ev): -41.2457 -41.2457 -21.3627 -21.3627 -19.1933 -19.1933 -18.6999 -18.6999 1.2419 1.2419 2.2383 2.2383 2.3217 2.3217 6.1286 6.1286 6.5916 6.5916 7.4320 7.4320 8.4309 8.4309 8.7942 8.7942 9.0745 9.0745 9.5025 9.5025 14.3758 14.3758 15.8508 15.8508 16.8320 16.8320 18.6758 18.6758 20.8439 20.8439 21.4250 21.4250 21.9468 21.9468 k = 0.5000 0.2841 0.0463 ( 4086 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1931 -19.1931 -18.6997 -18.6997 1.2412 1.2412 2.2403 2.2403 2.3193 2.3193 6.1239 6.1239 6.5795 6.5795 7.4308 7.4308 8.4456 8.4456 8.7884 8.7884 9.0711 9.0711 9.4974 9.4974 14.3687 14.3687 15.8590 15.8590 16.8267 16.8267 18.6800 18.6800 20.9075 20.9075 21.4159 21.4159 22.0328 22.0328 k = 0.5000 0.2841 0.0309 ( 4078 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1929 -19.1929 -18.6995 -18.6995 1.2407 1.2407 2.2418 2.2418 2.3176 2.3176 6.1205 6.1205 6.5708 6.5708 7.4300 7.4300 8.4567 8.4567 8.7838 8.7838 9.0687 9.0687 9.4936 9.4936 14.3637 14.3637 15.8650 15.8650 16.8228 16.8228 18.6830 18.6830 20.9542 20.9542 21.4090 21.4090 22.1026 22.1026 k = 0.5000 0.2841 0.0154 ( 4080 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1928 -19.1928 -18.6994 -18.6994 1.2404 1.2404 2.2426 2.2426 2.3166 2.3166 6.1185 6.1185 6.5656 6.5656 7.4295 7.4295 8.4636 8.4636 8.7807 8.7807 9.0673 9.0673 9.4914 9.4914 14.3607 14.3607 15.8686 15.8686 16.8205 16.8205 18.6849 18.6849 20.9828 20.9828 21.4046 21.4046 22.1489 22.1489 k = 0.5000 0.2841 0.0000 ( 4082 PWs) bands (ev): -41.2458 -41.2458 -21.3627 -21.3627 -19.1928 -19.1928 -18.6994 -18.6994 1.2403 1.2403 2.2429 2.2429 2.3163 2.3163 6.1178 6.1178 6.5638 6.5638 7.4293 7.4293 8.4659 8.4659 8.7797 8.7797 9.0668 9.0668 9.4907 9.4907 14.3596 14.3596 15.8698 15.8698 16.8197 16.8197 18.6855 18.6855 20.9924 20.9924 21.4031 21.4031 22.1652 22.1652 k = 0.0000 0.0000 1.0122 ( 4098 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1051 1.1051 1.9421 1.9421 3.2753 3.2753 6.6211 6.6211 7.2730 7.2730 8.0983 8.0983 8.5905 8.5905 9.3486 9.3486 10.2314 10.2314 12.0040 12.0040 14.2292 14.2292 15.2443 15.2443 16.0121 16.0121 17.3837 17.3837 18.3731 18.3731 18.7681 18.7681 18.7949 18.7949 k = 0.0132 0.0075 1.0122 ( 4100 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1055 1.1055 1.9415 1.9415 3.2753 3.2753 6.6211 6.6211 7.2734 7.2734 8.1005 8.1005 8.5905 8.5905 9.3481 9.3481 10.2279 10.2279 12.0035 12.0035 14.2317 14.2317 15.2429 15.2429 16.0150 16.0150 17.3828 17.3828 18.3747 18.3747 18.7666 18.7666 18.7967 18.7967 k = 0.0263 0.0150 1.0122 ( 4100 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1068 1.1068 1.9397 1.9397 3.2751 3.2751 6.6211 6.6211 7.2745 7.2745 8.1068 8.1068 8.5906 8.5906 9.3466 9.3466 10.2177 10.2177 12.0020 12.0020 14.2390 14.2390 15.2386 15.2386 16.0237 16.0237 17.3799 17.3799 18.3790 18.3790 18.7632 18.7632 18.8013 18.8013 k = 0.0395 0.0224 1.0122 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1088 1.1088 1.9368 1.9368 3.2749 3.2749 6.6211 6.6211 7.2764 7.2764 8.1175 8.1175 8.5906 8.5906 9.3441 9.3441 10.2008 10.2008 11.9995 11.9995 14.2512 14.2512 15.2316 15.2316 16.0381 16.0381 17.3750 17.3750 18.3846 18.3846 18.7600 18.7600 18.8085 18.8085 k = 0.0526 0.0299 1.0122 ( 4086 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1116 1.1116 1.9327 1.9327 3.2745 3.2745 6.6212 6.6212 7.2788 7.2788 8.1323 8.1323 8.5907 8.5907 9.3405 9.3405 10.1778 10.1778 11.9962 11.9962 14.2677 14.2677 15.2220 15.2220 16.0580 16.0580 17.3679 17.3679 18.3893 18.3893 18.7586 18.7586 18.8193 18.8193 k = 0.0658 0.0374 1.0122 ( 4082 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1151 1.1151 1.9277 1.9277 3.2741 3.2741 6.6212 6.6212 7.2818 7.2818 8.1513 8.1513 8.5909 8.5909 9.3356 9.3356 10.1493 10.1493 11.9921 11.9921 14.2885 14.2885 15.2097 15.2097 16.0832 16.0832 17.3586 17.3586 18.3904 18.3904 18.7598 18.7598 18.8360 18.8360 k = 0.0789 0.0449 1.0122 ( 4102 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1192 1.1192 1.9217 1.9217 3.2737 3.2737 6.6212 6.6212 7.2851 7.2851 8.1745 8.1745 8.5910 8.5910 9.3293 9.3293 10.1160 10.1160 11.9874 11.9874 14.3129 14.3129 15.1948 15.1948 16.1134 16.1134 17.3468 17.3468 18.3856 18.3856 18.7630 18.7630 18.8623 18.8623 k = 0.0921 0.0523 1.0122 ( 4102 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1238 1.1238 1.9150 1.9150 3.2732 3.2732 6.6212 6.6212 7.2886 7.2886 8.2017 8.2017 8.5912 8.5912 9.3213 9.3213 10.0789 10.0789 11.9822 11.9822 14.3407 14.3407 15.1777 15.1777 16.1484 16.1484 17.3324 17.3324 18.3741 18.3741 18.7669 18.7669 18.9011 18.9011 k = 0.1053 0.0598 1.0122 ( 4106 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1289 1.1289 1.9078 1.9078 3.2726 3.2726 6.6212 6.6212 7.2923 7.2923 8.2326 8.2326 8.5914 8.5914 9.3113 9.3113 10.0388 10.0388 11.9767 11.9767 14.3713 14.3713 15.1582 15.1582 16.1877 16.1877 17.3149 17.3149 18.3562 18.3562 18.7704 18.7704 18.9538 18.9538 k = 0.1184 0.0673 1.0122 ( 4104 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1343 1.1343 1.9001 1.9001 3.2721 3.2721 6.6212 6.6212 7.2959 7.2959 8.2672 8.2672 8.5916 8.5916 9.2991 9.2991 9.9971 9.9971 11.9710 11.9710 14.4042 14.4042 15.1367 15.1367 16.2309 16.2309 17.2942 17.2942 18.3336 18.3336 18.7732 18.7732 19.0198 19.0198 k = 0.1316 0.0748 1.0122 ( 4096 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1399 1.1399 1.8922 1.8922 3.2715 3.2715 6.6213 6.6213 7.2993 7.2993 8.3050 8.3050 8.5919 8.5919 9.2843 9.2843 9.9548 9.9548 11.9653 11.9653 14.4389 14.4389 15.1131 15.1131 16.2775 16.2775 17.2700 17.2700 18.3081 18.3081 18.7753 18.7753 19.0978 19.0978 k = 0.1447 0.0822 1.0122 ( 4096 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7507 -18.7507 1.1455 1.1455 1.8843 1.8843 3.2710 3.2710 6.6213 6.6213 7.3026 7.3026 8.3455 8.3455 8.5923 8.5923 9.2664 9.2664 9.9135 9.9135 11.9598 11.9598 14.4750 14.4750 15.0879 15.0879 16.3271 16.3271 17.2422 17.2422 18.2815 18.2815 18.7769 18.7769 19.1866 19.1866 k = 0.1579 0.0897 1.0122 ( 4096 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2461 -19.2461 -18.7507 -18.7507 1.1510 1.1510 1.8766 1.8766 3.2705 3.2705 6.6213 6.6213 7.3056 7.3056 8.3880 8.3880 8.5927 8.5927 9.2453 9.2453 9.8743 9.8743 11.9545 11.9545 14.5120 14.5120 15.0611 15.0611 16.3790 16.3790 17.2108 17.2108 18.2553 18.2553 18.7782 18.7782 19.2847 19.2847 k = 0.1711 0.0972 1.0122 ( 4088 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7508 -18.7508 1.1562 1.1562 1.8694 1.8694 3.2700 3.2700 6.6213 6.6213 7.3082 7.3082 8.4317 8.4317 8.5933 8.5933 9.2211 9.2211 9.8385 9.8385 11.9496 11.9496 14.5493 14.5493 15.0330 15.0330 16.4324 16.4324 17.1759 17.1759 18.2307 18.2307 18.7791 18.7791 19.3909 19.3909 k = 0.1842 0.1047 1.0122 ( 4084 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7508 -18.7508 1.1610 1.1610 1.8628 1.8628 3.2696 3.2696 6.6213 6.6213 7.3105 7.3105 8.4752 8.4752 8.5943 8.5943 9.1941 9.1941 9.8072 9.8072 11.9453 11.9453 14.5863 14.5863 15.0040 15.0040 16.4863 16.4863 17.1382 17.1382 18.2087 18.2087 18.7799 18.7799 19.5035 19.5035 k = 0.1974 0.1121 1.0122 ( 4088 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7508 -18.7508 1.1651 1.1651 1.8571 1.8571 3.2693 3.2693 6.6213 6.6213 7.3123 7.3123 8.5162 8.5162 8.5963 8.5963 9.1655 9.1655 9.7810 9.7810 11.9416 11.9416 14.6224 14.6224 14.9748 14.9748 16.5395 16.5395 17.0986 17.0986 18.1900 18.1900 18.7804 18.7804 19.6206 19.6206 k = 0.2105 0.1196 1.0122 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3596 -21.3596 -19.2461 -19.2461 -18.7508 -18.7508 1.1686 1.1686 1.8524 1.8524 3.2690 3.2690 6.6213 6.6213 7.3138 7.3138 8.5509 8.5509 8.6009 8.6009 9.1373 9.1373 9.7605 9.7605 11.9387 11.9387 14.6563 14.6563 14.9464 14.9464 16.5898 16.5898 17.0590 17.0590 18.1750 18.1750 18.7808 18.7808 19.7388 19.7388 k = 0.2237 0.1271 1.0122 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2461 -19.2461 -18.7508 -18.7508 1.1711 1.1711 1.8490 1.8490 3.2688 3.2688 6.6213 6.6213 7.3148 7.3148 8.5723 8.5723 8.6121 8.6121 9.1126 9.1126 9.7459 9.7459 11.9365 11.9365 14.6860 14.6860 14.9206 14.9206 16.6338 16.6338 17.0227 17.0227 18.1642 18.1642 18.7811 18.7811 19.8512 19.8512 k = 0.2368 0.1346 1.0122 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2461 -19.2461 -18.7508 -18.7508 1.1726 1.1726 1.8469 1.8469 3.2687 3.2687 6.6213 6.6213 7.3155 7.3155 8.5799 8.5799 8.6265 8.6265 9.0952 9.0952 9.7371 9.7371 11.9352 11.9352 14.7079 14.7079 14.9012 14.9012 16.6657 16.6657 16.9955 16.9955 18.1576 18.1576 18.7813 18.7813 19.9422 19.9422 k = 0.2500 0.1420 1.0122 ( 4080 PWs) bands (ev): -41.2409 -41.2409 -21.3597 -21.3597 -19.2461 -19.2461 -18.7508 -18.7508 1.1731 1.1731 1.8462 1.8462 3.2686 3.2686 6.6213 6.6213 7.3157 7.3157 8.5815 8.5815 8.6327 8.6327 9.0889 9.0889 9.7342 9.7342 11.9347 11.9347 14.7161 14.7161 14.8937 14.8937 16.6777 16.6777 16.9849 16.9849 18.1554 18.1554 18.7813 18.7813 19.9802 19.9802 Writing output data file TiAu2.save init_run : 0.14s CPU 0.29s WALL ( 1 calls) electrons : 290.49s CPU 293.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 290.48s CPU 293.95s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 418 calls) cegterg : 275.47s CPU 278.34s WALL ( 664 calls) Called by sum_band: Called by *egterg: h_psi : 208.88s CPU 211.07s WALL ( 10049 calls) s_psi : 4.43s CPU 4.32s WALL ( 10049 calls) g_psi : 0.34s CPU 0.38s WALL ( 8967 calls) cdiaghg : 53.39s CPU 54.25s WALL ( 9385 calls) cegterg:over : 7.82s CPU 7.97s WALL ( 8967 calls) cegterg:upda : 6.37s CPU 6.33s WALL ( 8967 calls) cegterg:last : 3.90s CPU 3.96s WALL ( 2337 calls) cdiaghg:chol : 3.01s CPU 3.08s WALL ( 9385 calls) cdiaghg:inve : 1.62s CPU 1.70s WALL ( 9385 calls) cdiaghg:para : 3.17s CPU 3.14s WALL ( 18770 calls) Called by h_psi: h_psi:vloc : 195.40s CPU 197.54s WALL ( 10049 calls) h_psi:vnl : 13.08s CPU 13.18s WALL ( 10049 calls) add_vuspsi : 6.79s CPU 6.77s WALL ( 10049 calls) General routines calbec : 6.25s CPU 6.39s WALL ( 10049 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 185.35s CPU 187.09s WALL ( 1220928 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.26s WALL ( 836 calls) Parallel routines fft_scatter : 59.60s CPU 60.85s WALL ( 1220951 calls) PWSCF : 5m 6.86s CPU 5m33.86s WALL This run was terminated on: 13:40:32 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=