Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:41:17 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: ./ScAl.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 79 39 12 1986 712 116 Max 80 40 13 1988 730 118 Sum 2853 1439 433 71525 25877 4211 bravais-lattice index = 14 lattice parameter (alat) = 10.4876 a.u. unit-cell volume = 524.9892 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.487597 celldm(2)= 1.000000 celldm(3)= 0.563318 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.589291 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.589291 0.807921 0.000000 ) a(3) = ( 0.000000 0.000000 0.563318 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.729392 -0.000000 ) b(2) = ( 0.000000 1.237745 -0.000000 ) b(3) = ( 0.000000 0.000000 1.775197 ) PseudoPot. # 1 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Sc 11.00 44.95590 Sc( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.2816589 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2816589 ) 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= 444 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0078651 0.0154718 -0.0000000), wk = 0.0022523 k( 3) = ( 0.0157303 0.0309436 -0.0000000), wk = 0.0022523 k( 4) = ( 0.0235954 0.0464154 -0.0000000), wk = 0.0022523 k( 5) = ( 0.0314606 0.0618872 -0.0000000), wk = 0.0022523 k( 6) = ( 0.0393257 0.0773591 -0.0000000), wk = 0.0022523 k( 7) = ( 0.0471909 0.0928309 -0.0000000), wk = 0.0022523 k( 8) = ( 0.0550560 0.1083027 -0.0000000), wk = 0.0022523 k( 9) = ( 0.0629211 0.1237745 -0.0000000), wk = 0.0022523 k( 10) = ( 0.0707863 0.1392463 -0.0000000), wk = 0.0022523 k( 11) = ( 0.0786514 0.1547181 -0.0000000), wk = 0.0022523 k( 12) = ( 0.0865166 0.1701899 -0.0000000), wk = 0.0022523 k( 13) = ( 0.0943817 0.1856617 -0.0000000), wk = 0.0022523 k( 14) = ( 0.1022469 0.2011335 -0.0000000), wk = 0.0022523 k( 15) = ( 0.1101120 0.2166053 -0.0000000), wk = 0.0022523 k( 16) = ( 0.1179772 0.2320772 -0.0000000), wk = 0.0022523 k( 17) = ( 0.1258423 0.2475490 -0.0000000), wk = 0.0022523 k( 18) = ( 0.1337074 0.2630208 -0.0000000), wk = 0.0022523 k( 19) = ( 0.1415726 0.2784926 -0.0000000), wk = 0.0022523 k( 20) = ( 0.1494377 0.2939644 -0.0000000), wk = 0.0022523 k( 21) = ( 0.1573029 0.3094362 -0.0000000), wk = 0.0022523 k( 22) = ( 0.1651680 0.3249080 -0.0000000), wk = 0.0022523 k( 23) = ( 0.1730331 0.3403798 -0.0000000), wk = 0.0022523 k( 24) = ( 0.1808983 0.3558516 -0.0000000), wk = 0.0022523 k( 25) = ( 0.1887634 0.3713235 -0.0000000), wk = 0.0022523 k( 26) = ( 0.1966286 0.3867953 -0.0000000), wk = 0.0022523 k( 27) = ( 0.2044937 0.4022671 -0.0000000), wk = 0.0022523 k( 28) = ( 0.2123589 0.4177389 -0.0000000), wk = 0.0022523 k( 29) = ( 0.2202240 0.4332107 -0.0000000), wk = 0.0022523 k( 30) = ( 0.2280891 0.4486825 -0.0000000), wk = 0.0022523 k( 31) = ( 0.2359543 0.4641543 -0.0000000), wk = 0.0022523 k( 32) = ( 0.2438194 0.4796261 -0.0000000), wk = 0.0022523 k( 33) = ( 0.2516846 0.4950979 -0.0000000), wk = 0.0022523 k( 34) = ( 0.2595497 0.5105697 -0.0000000), wk = 0.0022523 k( 35) = ( 0.2674149 0.5260416 -0.0000000), wk = 0.0022523 k( 36) = ( 0.2752800 0.5415134 -0.0000000), wk = 0.0022523 k( 37) = ( 0.2831452 0.5569852 -0.0000000), wk = 0.0022523 k( 38) = ( 0.2910103 0.5724570 -0.0000000), wk = 0.0022523 k( 39) = ( 0.2988754 0.5879288 -0.0000000), wk = 0.0022523 k( 40) = ( 0.3067406 0.6034006 -0.0000000), wk = 0.0022523 k( 41) = ( 0.3146057 0.6188724 -0.0000000), wk = 0.0022523 k( 42) = ( 0.3146057 0.6188724 -0.0000000), wk = 0.0022523 k( 43) = ( 0.2971276 0.6188724 -0.0000000), wk = 0.0022523 k( 44) = ( 0.2796495 0.6188724 -0.0000000), wk = 0.0022523 k( 45) = ( 0.2621714 0.6188724 -0.0000000), wk = 0.0022523 k( 46) = ( 0.2446933 0.6188724 -0.0000000), wk = 0.0022523 k( 47) = ( 0.2272153 0.6188724 -0.0000000), wk = 0.0022523 k( 48) = ( 0.2097372 0.6188724 -0.0000000), wk = 0.0022523 k( 49) = ( 0.1922590 0.6188724 -0.0000000), wk = 0.0022523 k( 50) = ( 0.1747810 0.6188724 -0.0000000), wk = 0.0022523 k( 51) = ( 0.1573029 0.6188724 -0.0000000), wk = 0.0022523 k( 52) = ( 0.1398248 0.6188724 -0.0000000), wk = 0.0022523 k( 53) = ( 0.1223467 0.6188724 -0.0000000), wk = 0.0022523 k( 54) = ( 0.1048686 0.6188724 -0.0000000), wk = 0.0022523 k( 55) = ( 0.0873905 0.6188724 -0.0000000), wk = 0.0022523 k( 56) = ( 0.0699124 0.6188724 -0.0000000), wk = 0.0022523 k( 57) = ( 0.0524343 0.6188724 -0.0000000), wk = 0.0022523 k( 58) = ( 0.0349562 0.6188724 -0.0000000), wk = 0.0022523 k( 59) = ( 0.0174781 0.6188724 -0.0000000), wk = 0.0022523 k( 60) = ( 0.0000000 0.6188724 -0.0000000), wk = 0.0022523 k( 61) = ( 0.0000000 0.6188724 -0.0000000), wk = 0.0022523 k( 62) = ( 0.0000000 0.6188724 0.0174039), wk = 0.0022523 k( 63) = ( 0.0000000 0.6188724 0.0348078), wk = 0.0022523 k( 64) = ( 0.0000000 0.6188724 0.0522117), wk = 0.0022523 k( 65) = ( 0.0000000 0.6188724 0.0696156), wk = 0.0022523 k( 66) = ( 0.0000000 0.6188724 0.0870195), wk = 0.0022523 k( 67) = ( 0.0000000 0.6188724 0.1044233), wk = 0.0022523 k( 68) = ( 0.0000000 0.6188724 0.1218272), wk = 0.0022523 k( 69) = ( 0.0000000 0.6188724 0.1392311), wk = 0.0022523 k( 70) = ( 0.0000000 0.6188724 0.1566350), wk = 0.0022523 k( 71) = ( 0.0000000 0.6188724 0.1740389), wk = 0.0022523 k( 72) = ( 0.0000000 0.6188724 0.1914428), wk = 0.0022523 k( 73) = ( 0.0000000 0.6188724 0.2088467), wk = 0.0022523 k( 74) = ( 0.0000000 0.6188724 0.2262506), wk = 0.0022523 k( 75) = ( 0.0000000 0.6188724 0.2436545), wk = 0.0022523 k( 76) = ( 0.0000000 0.6188724 0.2610584), wk = 0.0022523 k( 77) = ( 0.0000000 0.6188724 0.2784623), wk = 0.0022523 k( 78) = ( 0.0000000 0.6188724 0.2958661), wk = 0.0022523 k( 79) = ( 0.0000000 0.6188724 0.3132700), wk = 0.0022523 k( 80) = ( 0.0000000 0.6188724 0.3306739), wk = 0.0022523 k( 81) = ( 0.0000000 0.6188724 0.3480778), wk = 0.0022523 k( 82) = ( 0.0000000 0.6188724 0.3654817), wk = 0.0022523 k( 83) = ( 0.0000000 0.6188724 0.3828856), wk = 0.0022523 k( 84) = ( 0.0000000 0.6188724 0.4002895), wk = 0.0022523 k( 85) = ( 0.0000000 0.6188724 0.4176934), wk = 0.0022523 k( 86) = ( 0.0000000 0.6188724 0.4350973), wk = 0.0022523 k( 87) = ( 0.0000000 0.6188724 0.4525012), wk = 0.0022523 k( 88) = ( 0.0000000 0.6188724 0.4699050), wk = 0.0022523 k( 89) = ( 0.0000000 0.6188724 0.4873089), wk = 0.0022523 k( 90) = ( 0.0000000 0.6188724 0.5047128), wk = 0.0022523 k( 91) = ( 0.0000000 0.6188724 0.5221167), wk = 0.0022523 k( 92) = ( 0.0000000 0.6188724 0.5395206), wk = 0.0022523 k( 93) = ( 0.0000000 0.6188724 0.5569245), wk = 0.0022523 k( 94) = ( 0.0000000 0.6188724 0.5743284), wk = 0.0022523 k( 95) = ( 0.0000000 0.6188724 0.5917323), wk = 0.0022523 k( 96) = ( 0.0000000 0.6188724 0.6091362), wk = 0.0022523 k( 97) = ( 0.0000000 0.6188724 0.6265401), wk = 0.0022523 k( 98) = ( 0.0000000 0.6188724 0.6439440), wk = 0.0022523 k( 99) = ( 0.0000000 0.6188724 0.6613478), wk = 0.0022523 k( 100) = ( 0.0000000 0.6188724 0.6787517), wk = 0.0022523 k( 101) = ( 0.0000000 0.6188724 0.6961556), wk = 0.0022523 k( 102) = ( 0.0000000 0.6188724 0.7135595), wk = 0.0022523 k( 103) = ( 0.0000000 0.6188724 0.7309634), wk = 0.0022523 k( 104) = ( 0.0000000 0.6188724 0.7483673), wk = 0.0022523 k( 105) = ( 0.0000000 0.6188724 0.7657712), wk = 0.0022523 k( 106) = ( 0.0000000 0.6188724 0.7831751), wk = 0.0022523 k( 107) = ( 0.0000000 0.6188724 0.8005790), wk = 0.0022523 k( 108) = ( 0.0000000 0.6188724 0.8179828), wk = 0.0022523 k( 109) = ( 0.0000000 0.6188724 0.8353868), wk = 0.0022523 k( 110) = ( 0.0000000 0.6188724 0.8527906), wk = 0.0022523 k( 111) = ( 0.0000000 0.6188724 0.8701945), wk = 0.0022523 k( 112) = ( 0.0000000 0.6188724 0.8875984), wk = 0.0022523 k( 113) = ( 0.0000000 0.6188724 0.8875984), wk = 0.0022523 k( 114) = ( 0.0174781 0.6188724 0.8875984), wk = 0.0022523 k( 115) = ( 0.0349562 0.6188724 0.8875984), wk = 0.0022523 k( 116) = ( 0.0524343 0.6188724 0.8875984), wk = 0.0022523 k( 117) = ( 0.0699124 0.6188724 0.8875984), wk = 0.0022523 k( 118) = ( 0.0873905 0.6188724 0.8875984), wk = 0.0022523 k( 119) = ( 0.1048686 0.6188724 0.8875984), wk = 0.0022523 k( 120) = ( 0.1223467 0.6188724 0.8875984), wk = 0.0022523 k( 121) = ( 0.1398248 0.6188724 0.8875984), wk = 0.0022523 k( 122) = ( 0.1573029 0.6188724 0.8875984), wk = 0.0022523 k( 123) = ( 0.1747810 0.6188724 0.8875984), wk = 0.0022523 k( 124) = ( 0.1922590 0.6188724 0.8875984), wk = 0.0022523 k( 125) = ( 0.2097372 0.6188724 0.8875984), wk = 0.0022523 k( 126) = ( 0.2272153 0.6188724 0.8875984), wk = 0.0022523 k( 127) = ( 0.2446933 0.6188724 0.8875984), wk = 0.0022523 k( 128) = ( 0.2621714 0.6188724 0.8875984), wk = 0.0022523 k( 129) = ( 0.2796495 0.6188724 0.8875984), wk = 0.0022523 k( 130) = ( 0.2971276 0.6188724 0.8875984), wk = 0.0022523 k( 131) = ( 0.3146057 0.6188724 0.8875984), wk = 0.0022523 k( 132) = ( 0.3146057 0.6188724 0.8875984), wk = 0.0022523 k( 133) = ( 0.3067406 0.6034006 0.8875984), wk = 0.0022523 k( 134) = ( 0.2988754 0.5879288 0.8875984), wk = 0.0022523 k( 135) = ( 0.2910103 0.5724570 0.8875984), wk = 0.0022523 k( 136) = ( 0.2831452 0.5569852 0.8875984), wk = 0.0022523 k( 137) = ( 0.2752800 0.5415134 0.8875984), wk = 0.0022523 k( 138) = ( 0.2674149 0.5260416 0.8875984), wk = 0.0022523 k( 139) = ( 0.2595497 0.5105697 0.8875984), wk = 0.0022523 k( 140) = ( 0.2516846 0.4950979 0.8875984), wk = 0.0022523 k( 141) = ( 0.2438194 0.4796261 0.8875984), wk = 0.0022523 k( 142) = ( 0.2359543 0.4641543 0.8875984), wk = 0.0022523 k( 143) = ( 0.2280891 0.4486825 0.8875984), wk = 0.0022523 k( 144) = ( 0.2202240 0.4332107 0.8875984), wk = 0.0022523 k( 145) = ( 0.2123589 0.4177389 0.8875984), wk = 0.0022523 k( 146) = ( 0.2044937 0.4022671 0.8875984), wk = 0.0022523 k( 147) = ( 0.1966286 0.3867953 0.8875984), wk = 0.0022523 k( 148) = ( 0.1887634 0.3713235 0.8875984), wk = 0.0022523 k( 149) = ( 0.1808983 0.3558516 0.8875984), wk = 0.0022523 k( 150) = ( 0.1730331 0.3403798 0.8875984), wk = 0.0022523 k( 151) = ( 0.1651680 0.3249080 0.8875984), wk = 0.0022523 k( 152) = ( 0.1573029 0.3094362 0.8875984), wk = 0.0022523 k( 153) = ( 0.1494377 0.2939644 0.8875984), wk = 0.0022523 k( 154) = ( 0.1415726 0.2784926 0.8875984), wk = 0.0022523 k( 155) = ( 0.1337074 0.2630208 0.8875984), wk = 0.0022523 k( 156) = ( 0.1258423 0.2475490 0.8875984), wk = 0.0022523 k( 157) = ( 0.1179772 0.2320772 0.8875984), wk = 0.0022523 k( 158) = ( 0.1101120 0.2166053 0.8875984), wk = 0.0022523 k( 159) = ( 0.1022469 0.2011335 0.8875984), wk = 0.0022523 k( 160) = ( 0.0943817 0.1856617 0.8875984), wk = 0.0022523 k( 161) = ( 0.0865166 0.1701899 0.8875984), wk = 0.0022523 k( 162) = ( 0.0786514 0.1547181 0.8875984), wk = 0.0022523 k( 163) = ( 0.0707863 0.1392463 0.8875984), wk = 0.0022523 k( 164) = ( 0.0629211 0.1237745 0.8875984), wk = 0.0022523 k( 165) = ( 0.0550560 0.1083027 0.8875984), wk = 0.0022523 k( 166) = ( 0.0471909 0.0928309 0.8875984), wk = 0.0022523 k( 167) = ( 0.0393257 0.0773591 0.8875984), wk = 0.0022523 k( 168) = ( 0.0314606 0.0618872 0.8875984), wk = 0.0022523 k( 169) = ( 0.0235954 0.0464154 0.8875984), wk = 0.0022523 k( 170) = ( 0.0157303 0.0309436 0.8875984), wk = 0.0022523 k( 171) = ( 0.0078651 0.0154718 0.8875984), wk = 0.0022523 k( 172) = ( 0.0000000 0.0000000 0.8875984), wk = 0.0022523 k( 173) = ( 0.0000000 0.0000000 0.8875984), wk = 0.0022523 k( 174) = ( 0.0000000 0.0000000 0.8701945), wk = 0.0022523 k( 175) = ( 0.0000000 0.0000000 0.8527906), wk = 0.0022523 k( 176) = ( 0.0000000 0.0000000 0.8353868), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.8179828), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.8005790), wk = 0.0022523 k( 179) = ( 0.0000000 0.0000000 0.7831751), wk = 0.0022523 k( 180) = ( 0.0000000 0.0000000 0.7657712), wk = 0.0022523 k( 181) = ( 0.0000000 0.0000000 0.7483673), wk = 0.0022523 k( 182) = ( 0.0000000 0.0000000 0.7309634), wk = 0.0022523 k( 183) = ( 0.0000000 0.0000000 0.7135595), wk = 0.0022523 k( 184) = ( 0.0000000 0.0000000 0.6961556), wk = 0.0022523 k( 185) = ( 0.0000000 0.0000000 0.6787517), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.6613478), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.6439440), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.6265401), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.6091362), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.5917323), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.5743284), wk = 0.0022523 k( 192) = ( 0.0000000 0.0000000 0.5569245), wk = 0.0022523 k( 193) = ( 0.0000000 0.0000000 0.5395206), wk = 0.0022523 k( 194) = ( 0.0000000 0.0000000 0.5221167), wk = 0.0022523 k( 195) = ( 0.0000000 0.0000000 0.5047128), wk = 0.0022523 k( 196) = ( 0.0000000 0.0000000 0.4873089), wk = 0.0022523 k( 197) = ( 0.0000000 0.0000000 0.4699050), wk = 0.0022523 k( 198) = ( 0.0000000 0.0000000 0.4525012), wk = 0.0022523 k( 199) = ( 0.0000000 0.0000000 0.4350973), wk = 0.0022523 k( 200) = ( 0.0000000 0.0000000 0.4176934), wk = 0.0022523 k( 201) = ( 0.0000000 0.0000000 0.4002895), wk = 0.0022523 k( 202) = ( 0.0000000 0.0000000 0.3828856), wk = 0.0022523 k( 203) = ( 0.0000000 0.0000000 0.3654817), wk = 0.0022523 k( 204) = ( 0.0000000 0.0000000 0.3480778), wk = 0.0022523 k( 205) = ( 0.0000000 0.0000000 0.3306739), wk = 0.0022523 k( 206) = ( 0.0000000 0.0000000 0.3132700), wk = 0.0022523 k( 207) = ( 0.0000000 0.0000000 0.2958661), wk = 0.0022523 k( 208) = ( 0.0000000 0.0000000 0.2784623), wk = 0.0022523 k( 209) = ( 0.0000000 0.0000000 0.2610584), wk = 0.0022523 k( 210) = ( 0.0000000 0.0000000 0.2436545), wk = 0.0022523 k( 211) = ( 0.0000000 0.0000000 0.2262506), wk = 0.0022523 k( 212) = ( 0.0000000 0.0000000 0.2088467), wk = 0.0022523 k( 213) = ( 0.0000000 0.0000000 0.1914428), wk = 0.0022523 k( 214) = ( 0.0000000 0.0000000 0.1740389), wk = 0.0022523 k( 215) = ( 0.0000000 0.0000000 0.1566350), wk = 0.0022523 k( 216) = ( 0.0000000 0.0000000 0.1392311), wk = 0.0022523 k( 217) = ( 0.0000000 0.0000000 0.1218272), wk = 0.0022523 k( 218) = ( 0.0000000 0.0000000 0.1044233), wk = 0.0022523 k( 219) = ( 0.0000000 0.0000000 0.0870195), wk = 0.0022523 k( 220) = ( 0.0000000 0.0000000 0.0696156), wk = 0.0022523 k( 221) = ( 0.0000000 0.0000000 0.0522117), wk = 0.0022523 k( 222) = ( 0.0000000 0.0000000 0.0348078), wk = 0.0022523 k( 223) = ( 0.0000000 0.0000000 0.0174039), wk = 0.0022523 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 226) = ( -0.0156250 0.0079430 0.0000000), wk = 0.0022523 k( 227) = ( -0.0312500 0.0158860 0.0000000), wk = 0.0022523 k( 228) = ( -0.0468750 0.0238291 0.0000000), wk = 0.0022523 k( 229) = ( -0.0625000 0.0317721 0.0000000), wk = 0.0022523 k( 230) = ( -0.0781250 0.0397151 0.0000000), wk = 0.0022523 k( 231) = ( -0.0937500 0.0476581 0.0000000), wk = 0.0022523 k( 232) = ( -0.1093750 0.0556011 0.0000000), wk = 0.0022523 k( 233) = ( -0.1250000 0.0635441 0.0000000), wk = 0.0022523 k( 234) = ( -0.1406250 0.0714872 0.0000000), wk = 0.0022523 k( 235) = ( -0.1562500 0.0794302 0.0000000), wk = 0.0022523 k( 236) = ( -0.1718750 0.0873732 0.0000000), wk = 0.0022523 k( 237) = ( -0.1875000 0.0953162 0.0000000), wk = 0.0022523 k( 238) = ( -0.2031250 0.1032592 0.0000000), wk = 0.0022523 k( 239) = ( -0.2187500 0.1112022 0.0000000), wk = 0.0022523 k( 240) = ( -0.2343750 0.1191453 0.0000000), wk = 0.0022523 k( 241) = ( -0.2500000 0.1270883 0.0000000), wk = 0.0022523 k( 242) = ( -0.2656250 0.1350313 0.0000000), wk = 0.0022523 k( 243) = ( -0.2812500 0.1429743 0.0000000), wk = 0.0022523 k( 244) = ( -0.2968750 0.1509173 0.0000000), wk = 0.0022523 k( 245) = ( -0.3125000 0.1588604 0.0000000), wk = 0.0022523 k( 246) = ( -0.3281250 0.1668034 0.0000000), wk = 0.0022523 k( 247) = ( -0.3437500 0.1747464 0.0000000), wk = 0.0022523 k( 248) = ( -0.3593750 0.1826894 0.0000000), wk = 0.0022523 k( 249) = ( -0.3750000 0.1906324 0.0000000), wk = 0.0022523 k( 250) = ( -0.3906250 0.1985754 0.0000000), wk = 0.0022523 k( 251) = ( -0.4062500 0.2065185 0.0000000), wk = 0.0022523 k( 252) = ( -0.4218750 0.2144615 0.0000000), wk = 0.0022523 k( 253) = ( -0.4375000 0.2224045 0.0000000), wk = 0.0022523 k( 254) = ( -0.4531250 0.2303475 0.0000000), wk = 0.0022523 k( 255) = ( -0.4687500 0.2382905 0.0000000), wk = 0.0022523 k( 256) = ( -0.4843750 0.2462335 0.0000000), wk = 0.0022523 k( 257) = ( -0.5000000 0.2541766 0.0000000), wk = 0.0022523 k( 258) = ( -0.5000000 0.2541766 0.0000000), wk = 0.0022523 k( 259) = ( -0.4922752 0.2693722 -0.0000000), wk = 0.0022523 k( 260) = ( -0.4845505 0.2845679 -0.0000000), wk = 0.0022523 k( 261) = ( -0.4768257 0.2997635 -0.0000000), wk = 0.0022523 k( 262) = ( -0.4691010 0.3149592 -0.0000000), wk = 0.0022523 k( 263) = ( -0.4613762 0.3301549 -0.0000000), wk = 0.0022523 k( 264) = ( -0.4536514 0.3453505 -0.0000000), wk = 0.0022523 k( 265) = ( -0.4459267 0.3605462 -0.0000000), wk = 0.0022523 k( 266) = ( -0.4382019 0.3757418 -0.0000000), wk = 0.0022523 k( 267) = ( -0.4304771 0.3909375 -0.0000000), wk = 0.0022523 k( 268) = ( -0.4227524 0.4061332 -0.0000000), wk = 0.0022523 k( 269) = ( -0.4150276 0.4213288 -0.0000000), wk = 0.0022523 k( 270) = ( -0.4073029 0.4365245 -0.0000000), wk = 0.0022523 k( 271) = ( -0.3995781 0.4517201 -0.0000000), wk = 0.0022523 k( 272) = ( -0.3918533 0.4669158 -0.0000000), wk = 0.0022523 k( 273) = ( -0.3841286 0.4821115 -0.0000000), wk = 0.0022523 k( 274) = ( -0.3764038 0.4973071 -0.0000000), wk = 0.0022523 k( 275) = ( -0.3686791 0.5125028 -0.0000000), wk = 0.0022523 k( 276) = ( -0.3609543 0.5276985 -0.0000000), wk = 0.0022523 k( 277) = ( -0.3532295 0.5428941 -0.0000000), wk = 0.0022523 k( 278) = ( -0.3455048 0.5580898 -0.0000000), wk = 0.0022523 k( 279) = ( -0.3377800 0.5732854 -0.0000000), wk = 0.0022523 k( 280) = ( -0.3300553 0.5884811 -0.0000000), wk = 0.0022523 k( 281) = ( -0.3223305 0.6036767 -0.0000000), wk = 0.0022523 k( 282) = ( -0.3146057 0.6188724 -0.0000000), wk = 0.0022523 k( 283) = ( -0.3146057 0.6188724 -0.0000000), wk = 0.0022523 k( 284) = ( -0.3146057 0.6188724 0.0174039), wk = 0.0022523 k( 285) = ( -0.3146057 0.6188724 0.0348078), wk = 0.0022523 k( 286) = ( -0.3146057 0.6188724 0.0522117), wk = 0.0022523 k( 287) = ( -0.3146057 0.6188724 0.0696156), wk = 0.0022523 k( 288) = ( -0.3146057 0.6188724 0.0870195), wk = 0.0022523 k( 289) = ( -0.3146057 0.6188724 0.1044233), wk = 0.0022523 k( 290) = ( -0.3146057 0.6188724 0.1218272), wk = 0.0022523 k( 291) = ( -0.3146057 0.6188724 0.1392311), wk = 0.0022523 k( 292) = ( -0.3146057 0.6188724 0.1566350), wk = 0.0022523 k( 293) = ( -0.3146057 0.6188724 0.1740389), wk = 0.0022523 k( 294) = ( -0.3146057 0.6188724 0.1914428), wk = 0.0022523 k( 295) = ( -0.3146057 0.6188724 0.2088467), wk = 0.0022523 k( 296) = ( -0.3146057 0.6188724 0.2262506), wk = 0.0022523 k( 297) = ( -0.3146057 0.6188724 0.2436545), wk = 0.0022523 k( 298) = ( -0.3146057 0.6188724 0.2610584), wk = 0.0022523 k( 299) = ( -0.3146057 0.6188724 0.2784623), wk = 0.0022523 k( 300) = ( -0.3146057 0.6188724 0.2958661), wk = 0.0022523 k( 301) = ( -0.3146057 0.6188724 0.3132700), wk = 0.0022523 k( 302) = ( -0.3146057 0.6188724 0.3306739), wk = 0.0022523 k( 303) = ( -0.3146057 0.6188724 0.3480778), wk = 0.0022523 k( 304) = ( -0.3146057 0.6188724 0.3654817), wk = 0.0022523 k( 305) = ( -0.3146057 0.6188724 0.3828856), wk = 0.0022523 k( 306) = ( -0.3146057 0.6188724 0.4002895), wk = 0.0022523 k( 307) = ( -0.3146057 0.6188724 0.4176934), wk = 0.0022523 k( 308) = ( -0.3146057 0.6188724 0.4350973), wk = 0.0022523 k( 309) = ( -0.3146057 0.6188724 0.4525012), wk = 0.0022523 k( 310) = ( -0.3146057 0.6188724 0.4699050), wk = 0.0022523 k( 311) = ( -0.3146057 0.6188724 0.4873089), wk = 0.0022523 k( 312) = ( -0.3146057 0.6188724 0.5047128), wk = 0.0022523 k( 313) = ( -0.3146057 0.6188724 0.5221167), wk = 0.0022523 k( 314) = ( -0.3146057 0.6188724 0.5395206), wk = 0.0022523 k( 315) = ( -0.3146057 0.6188724 0.5569245), wk = 0.0022523 k( 316) = ( -0.3146057 0.6188724 0.5743284), wk = 0.0022523 k( 317) = ( -0.3146057 0.6188724 0.5917323), wk = 0.0022523 k( 318) = ( -0.3146057 0.6188724 0.6091362), wk = 0.0022523 k( 319) = ( -0.3146057 0.6188724 0.6265401), wk = 0.0022523 k( 320) = ( -0.3146057 0.6188724 0.6439440), wk = 0.0022523 k( 321) = ( -0.3146057 0.6188724 0.6613478), wk = 0.0022523 k( 322) = ( -0.3146057 0.6188724 0.6787517), wk = 0.0022523 k( 323) = ( -0.3146057 0.6188724 0.6961556), wk = 0.0022523 k( 324) = ( -0.3146057 0.6188724 0.7135595), wk = 0.0022523 k( 325) = ( -0.3146057 0.6188724 0.7309634), wk = 0.0022523 k( 326) = ( -0.3146057 0.6188724 0.7483673), wk = 0.0022523 k( 327) = ( -0.3146057 0.6188724 0.7657712), wk = 0.0022523 k( 328) = ( -0.3146057 0.6188724 0.7831751), wk = 0.0022523 k( 329) = ( -0.3146057 0.6188724 0.8005790), wk = 0.0022523 k( 330) = ( -0.3146057 0.6188724 0.8179828), wk = 0.0022523 k( 331) = ( -0.3146057 0.6188724 0.8353868), wk = 0.0022523 k( 332) = ( -0.3146057 0.6188724 0.8527906), wk = 0.0022523 k( 333) = ( -0.3146057 0.6188724 0.8701945), wk = 0.0022523 k( 334) = ( -0.3146057 0.6188724 0.8875984), wk = 0.0022523 k( 335) = ( -0.3146057 0.6188724 0.8875984), wk = 0.0022523 k( 336) = ( -0.3223305 0.6036767 0.8875984), wk = 0.0022523 k( 337) = ( -0.3300553 0.5884811 0.8875984), wk = 0.0022523 k( 338) = ( -0.3377800 0.5732854 0.8875984), wk = 0.0022523 k( 339) = ( -0.3455048 0.5580898 0.8875984), wk = 0.0022523 k( 340) = ( -0.3532295 0.5428941 0.8875984), wk = 0.0022523 k( 341) = ( -0.3609543 0.5276985 0.8875984), wk = 0.0022523 k( 342) = ( -0.3686791 0.5125028 0.8875984), wk = 0.0022523 k( 343) = ( -0.3764038 0.4973071 0.8875984), wk = 0.0022523 k( 344) = ( -0.3841286 0.4821115 0.8875984), wk = 0.0022523 k( 345) = ( -0.3918533 0.4669158 0.8875984), wk = 0.0022523 k( 346) = ( -0.3995781 0.4517201 0.8875984), wk = 0.0022523 k( 347) = ( -0.4073029 0.4365245 0.8875984), wk = 0.0022523 k( 348) = ( -0.4150276 0.4213288 0.8875984), wk = 0.0022523 k( 349) = ( -0.4227524 0.4061332 0.8875984), wk = 0.0022523 k( 350) = ( -0.4304771 0.3909375 0.8875984), wk = 0.0022523 k( 351) = ( -0.4382019 0.3757418 0.8875984), wk = 0.0022523 k( 352) = ( -0.4459267 0.3605462 0.8875984), wk = 0.0022523 k( 353) = ( -0.4536514 0.3453505 0.8875984), wk = 0.0022523 k( 354) = ( -0.4613762 0.3301549 0.8875984), wk = 0.0022523 k( 355) = ( -0.4691010 0.3149592 0.8875984), wk = 0.0022523 k( 356) = ( -0.4768257 0.2997635 0.8875984), wk = 0.0022523 k( 357) = ( -0.4845505 0.2845679 0.8875984), wk = 0.0022523 k( 358) = ( -0.4922752 0.2693722 0.8875984), wk = 0.0022523 k( 359) = ( -0.5000000 0.2541766 0.8875984), wk = 0.0022523 k( 360) = ( -0.5000000 0.2541766 0.8875984), wk = 0.0022523 k( 361) = ( -0.5000000 0.2541766 0.8701945), wk = 0.0022523 k( 362) = ( -0.5000000 0.2541766 0.8527906), wk = 0.0022523 k( 363) = ( -0.5000000 0.2541766 0.8353868), wk = 0.0022523 k( 364) = ( -0.5000000 0.2541766 0.8179828), wk = 0.0022523 k( 365) = ( -0.5000000 0.2541766 0.8005790), wk = 0.0022523 k( 366) = ( -0.5000000 0.2541766 0.7831751), wk = 0.0022523 k( 367) = ( -0.5000000 0.2541766 0.7657712), wk = 0.0022523 k( 368) = ( -0.5000000 0.2541766 0.7483673), wk = 0.0022523 k( 369) = ( -0.5000000 0.2541766 0.7309634), wk = 0.0022523 k( 370) = ( -0.5000000 0.2541766 0.7135595), wk = 0.0022523 k( 371) = ( -0.5000000 0.2541766 0.6961556), wk = 0.0022523 k( 372) = ( -0.5000000 0.2541766 0.6787517), wk = 0.0022523 k( 373) = ( -0.5000000 0.2541766 0.6613478), wk = 0.0022523 k( 374) = ( -0.5000000 0.2541766 0.6439440), wk = 0.0022523 k( 375) = ( -0.5000000 0.2541766 0.6265401), wk = 0.0022523 k( 376) = ( -0.5000000 0.2541766 0.6091362), wk = 0.0022523 k( 377) = ( -0.5000000 0.2541766 0.5917323), wk = 0.0022523 k( 378) = ( -0.5000000 0.2541766 0.5743284), wk = 0.0022523 k( 379) = ( -0.5000000 0.2541766 0.5569245), wk = 0.0022523 k( 380) = ( -0.5000000 0.2541766 0.5395206), wk = 0.0022523 k( 381) = ( -0.5000000 0.2541766 0.5221167), wk = 0.0022523 k( 382) = ( -0.5000000 0.2541766 0.5047128), wk = 0.0022523 k( 383) = ( -0.5000000 0.2541766 0.4873089), wk = 0.0022523 k( 384) = ( -0.5000000 0.2541766 0.4699050), wk = 0.0022523 k( 385) = ( -0.5000000 0.2541766 0.4525012), wk = 0.0022523 k( 386) = ( -0.5000000 0.2541766 0.4350973), wk = 0.0022523 k( 387) = ( -0.5000000 0.2541766 0.4176934), wk = 0.0022523 k( 388) = ( -0.5000000 0.2541766 0.4002895), wk = 0.0022523 k( 389) = ( -0.5000000 0.2541766 0.3828856), wk = 0.0022523 k( 390) = ( -0.5000000 0.2541766 0.3654817), wk = 0.0022523 k( 391) = ( -0.5000000 0.2541766 0.3480778), wk = 0.0022523 k( 392) = ( -0.5000000 0.2541766 0.3306739), wk = 0.0022523 k( 393) = ( -0.5000000 0.2541766 0.3132700), wk = 0.0022523 k( 394) = ( -0.5000000 0.2541766 0.2958661), wk = 0.0022523 k( 395) = ( -0.5000000 0.2541766 0.2784623), wk = 0.0022523 k( 396) = ( -0.5000000 0.2541766 0.2610584), wk = 0.0022523 k( 397) = ( -0.5000000 0.2541766 0.2436545), wk = 0.0022523 k( 398) = ( -0.5000000 0.2541766 0.2262506), wk = 0.0022523 k( 399) = ( -0.5000000 0.2541766 0.2088467), wk = 0.0022523 k( 400) = ( -0.5000000 0.2541766 0.1914428), wk = 0.0022523 k( 401) = ( -0.5000000 0.2541766 0.1740389), wk = 0.0022523 k( 402) = ( -0.5000000 0.2541766 0.1566350), wk = 0.0022523 k( 403) = ( -0.5000000 0.2541766 0.1392311), wk = 0.0022523 k( 404) = ( -0.5000000 0.2541766 0.1218272), wk = 0.0022523 k( 405) = ( -0.5000000 0.2541766 0.1044233), wk = 0.0022523 k( 406) = ( -0.5000000 0.2541766 0.0870195), wk = 0.0022523 k( 407) = ( -0.5000000 0.2541766 0.0696156), wk = 0.0022523 k( 408) = ( -0.5000000 0.2541766 0.0522117), wk = 0.0022523 k( 409) = ( -0.5000000 0.2541766 0.0348078), wk = 0.0022523 k( 410) = ( -0.5000000 0.2541766 0.0174039), wk = 0.0022523 k( 411) = ( -0.5000000 0.2541766 0.0000000), wk = 0.0022523 k( 412) = ( 0.0000000 0.0000000 0.8875984), wk = 0.0022523 k( 413) = ( -0.0156250 0.0079430 0.8875984), wk = 0.0022523 k( 414) = ( -0.0312500 0.0158860 0.8875984), wk = 0.0022523 k( 415) = ( -0.0468750 0.0238291 0.8875984), wk = 0.0022523 k( 416) = ( -0.0625000 0.0317721 0.8875984), wk = 0.0022523 k( 417) = ( -0.0781250 0.0397151 0.8875984), wk = 0.0022523 k( 418) = ( -0.0937500 0.0476581 0.8875984), wk = 0.0022523 k( 419) = ( -0.1093750 0.0556011 0.8875984), wk = 0.0022523 k( 420) = ( -0.1250000 0.0635441 0.8875984), wk = 0.0022523 k( 421) = ( -0.1406250 0.0714872 0.8875984), wk = 0.0022523 k( 422) = ( -0.1562500 0.0794302 0.8875984), wk = 0.0022523 k( 423) = ( -0.1718750 0.0873732 0.8875984), wk = 0.0022523 k( 424) = ( -0.1875000 0.0953162 0.8875984), wk = 0.0022523 k( 425) = ( -0.2031250 0.1032592 0.8875984), wk = 0.0022523 k( 426) = ( -0.2187500 0.1112022 0.8875984), wk = 0.0022523 k( 427) = ( -0.2343750 0.1191453 0.8875984), wk = 0.0022523 k( 428) = ( -0.2500000 0.1270883 0.8875984), wk = 0.0022523 k( 429) = ( -0.2656250 0.1350313 0.8875984), wk = 0.0022523 k( 430) = ( -0.2812500 0.1429743 0.8875984), wk = 0.0022523 k( 431) = ( -0.2968750 0.1509173 0.8875984), wk = 0.0022523 k( 432) = ( -0.3125000 0.1588604 0.8875984), wk = 0.0022523 k( 433) = ( -0.3281250 0.1668034 0.8875984), wk = 0.0022523 k( 434) = ( -0.3437500 0.1747464 0.8875984), wk = 0.0022523 k( 435) = ( -0.3593750 0.1826894 0.8875984), wk = 0.0022523 k( 436) = ( -0.3750000 0.1906324 0.8875984), wk = 0.0022523 k( 437) = ( -0.3906250 0.1985754 0.8875984), wk = 0.0022523 k( 438) = ( -0.4062500 0.2065185 0.8875984), wk = 0.0022523 k( 439) = ( -0.4218750 0.2144615 0.8875984), wk = 0.0022523 k( 440) = ( -0.4375000 0.2224045 0.8875984), wk = 0.0022523 k( 441) = ( -0.4531250 0.2303475 0.8875984), wk = 0.0022523 k( 442) = ( -0.4687500 0.2382905 0.8875984), wk = 0.0022523 k( 443) = ( -0.4843750 0.2462335 0.8875984), wk = 0.0022523 k( 444) = ( -0.5000000 0.2541766 0.8875984), wk = 0.0022523 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0078651 0.0078651 -0.0000000), wk = 0.0022523 k( 3) = ( 0.0157303 0.0157303 0.0000000), wk = 0.0022523 k( 4) = ( 0.0235954 0.0235954 0.0000000), wk = 0.0022523 k( 5) = ( 0.0314606 0.0314606 -0.0000000), wk = 0.0022523 k( 6) = ( 0.0393257 0.0393257 0.0000000), wk = 0.0022523 k( 7) = ( 0.0471909 0.0471909 0.0000000), wk = 0.0022523 k( 8) = ( 0.0550560 0.0550560 -0.0000000), wk = 0.0022523 k( 9) = ( 0.0629211 0.0629211 0.0000000), wk = 0.0022523 k( 10) = ( 0.0707863 0.0707863 -0.0000000), wk = 0.0022523 k( 11) = ( 0.0786514 0.0786514 -0.0000000), wk = 0.0022523 k( 12) = ( 0.0865166 0.0865166 0.0000000), wk = 0.0022523 k( 13) = ( 0.0943817 0.0943817 0.0000000), wk = 0.0022523 k( 14) = ( 0.1022469 0.1022469 -0.0000000), wk = 0.0022523 k( 15) = ( 0.1101120 0.1101120 -0.0000000), wk = 0.0022523 k( 16) = ( 0.1179772 0.1179771 0.0000000), wk = 0.0022523 k( 17) = ( 0.1258423 0.1258423 -0.0000000), wk = 0.0022523 k( 18) = ( 0.1337074 0.1337074 0.0000000), wk = 0.0022523 k( 19) = ( 0.1415726 0.1415726 -0.0000000), wk = 0.0022523 k( 20) = ( 0.1494377 0.1494377 -0.0000000), wk = 0.0022523 k( 21) = ( 0.1573029 0.1573029 -0.0000000), wk = 0.0022523 k( 22) = ( 0.1651680 0.1651680 0.0000000), wk = 0.0022523 k( 23) = ( 0.1730331 0.1730331 0.0000000), wk = 0.0022523 k( 24) = ( 0.1808983 0.1808983 -0.0000000), wk = 0.0022523 k( 25) = ( 0.1887634 0.1887634 0.0000000), wk = 0.0022523 k( 26) = ( 0.1966286 0.1966286 0.0000000), wk = 0.0022523 k( 27) = ( 0.2044937 0.2044937 -0.0000000), wk = 0.0022523 k( 28) = ( 0.2123589 0.2123589 -0.0000000), wk = 0.0022523 k( 29) = ( 0.2202240 0.2202240 0.0000000), wk = 0.0022523 k( 30) = ( 0.2280891 0.2280891 0.0000000), wk = 0.0022523 k( 31) = ( 0.2359543 0.2359543 -0.0000000), wk = 0.0022523 k( 32) = ( 0.2438194 0.2438194 0.0000000), wk = 0.0022523 k( 33) = ( 0.2516846 0.2516846 -0.0000000), wk = 0.0022523 k( 34) = ( 0.2595497 0.2595497 0.0000000), wk = 0.0022523 k( 35) = ( 0.2674149 0.2674149 -0.0000000), wk = 0.0022523 k( 36) = ( 0.2752800 0.2752800 -0.0000000), wk = 0.0022523 k( 37) = ( 0.2831452 0.2831452 0.0000000), wk = 0.0022523 k( 38) = ( 0.2910103 0.2910103 -0.0000000), wk = 0.0022523 k( 39) = ( 0.2988754 0.2988754 -0.0000000), wk = 0.0022523 k( 40) = ( 0.3067406 0.3067406 -0.0000000), wk = 0.0022523 k( 41) = ( 0.3146057 0.3146057 0.0000000), wk = 0.0022523 k( 42) = ( 0.3146057 0.3146057 0.0000000), wk = 0.0022523 k( 43) = ( 0.2971276 0.3249054 0.0000000), wk = 0.0022523 k( 44) = ( 0.2796495 0.3352051 -0.0000000), wk = 0.0022523 k( 45) = ( 0.2621714 0.3455048 0.0000000), wk = 0.0022523 k( 46) = ( 0.2446933 0.3558044 0.0000000), wk = 0.0022523 k( 47) = ( 0.2272153 0.3661041 0.0000000), wk = 0.0022523 k( 48) = ( 0.2097372 0.3764038 -0.0000000), wk = 0.0022523 k( 49) = ( 0.1922590 0.3867035 0.0000000), wk = 0.0022523 k( 50) = ( 0.1747810 0.3970032 0.0000000), wk = 0.0022523 k( 51) = ( 0.1573029 0.4073029 0.0000000), wk = 0.0022523 k( 52) = ( 0.1398248 0.4176025 0.0000000), wk = 0.0022523 k( 53) = ( 0.1223467 0.4279022 -0.0000000), wk = 0.0022523 k( 54) = ( 0.1048686 0.4382019 0.0000000), wk = 0.0022523 k( 55) = ( 0.0873905 0.4485016 -0.0000000), wk = 0.0022523 k( 56) = ( 0.0699124 0.4588013 0.0000000), wk = 0.0022523 k( 57) = ( 0.0524343 0.4691010 0.0000000), wk = 0.0022523 k( 58) = ( 0.0349562 0.4794006 0.0000000), wk = 0.0022523 k( 59) = ( 0.0174781 0.4897003 -0.0000000), wk = 0.0022523 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022523 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022523 k( 62) = ( 0.0000000 0.5000000 0.0098039), wk = 0.0022523 k( 63) = ( 0.0000000 0.5000000 0.0196078), wk = 0.0022523 k( 64) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0022523 k( 65) = ( 0.0000000 0.5000000 0.0392157), wk = 0.0022523 k( 66) = ( 0.0000000 0.5000000 0.0490196), wk = 0.0022523 k( 67) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0022523 k( 68) = ( 0.0000000 0.5000000 0.0686275), wk = 0.0022523 k( 69) = ( 0.0000000 0.5000000 0.0784314), wk = 0.0022523 k( 70) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0022523 k( 71) = ( 0.0000000 0.5000000 0.0980392), wk = 0.0022523 k( 72) = ( 0.0000000 0.5000000 0.1078431), wk = 0.0022523 k( 73) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0022523 k( 74) = ( 0.0000000 0.5000000 0.1274510), wk = 0.0022523 k( 75) = ( 0.0000000 0.5000000 0.1372549), wk = 0.0022523 k( 76) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0022523 k( 77) = ( 0.0000000 0.5000000 0.1568627), wk = 0.0022523 k( 78) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022523 k( 79) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0022523 k( 80) = ( 0.0000000 0.5000000 0.1862745), wk = 0.0022523 k( 81) = ( 0.0000000 0.5000000 0.1960784), wk = 0.0022523 k( 82) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0022523 k( 83) = ( 0.0000000 0.5000000 0.2156863), wk = 0.0022523 k( 84) = ( 0.0000000 0.5000000 0.2254902), wk = 0.0022523 k( 85) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0022523 k( 86) = ( 0.0000000 0.5000000 0.2450980), wk = 0.0022523 k( 87) = ( 0.0000000 0.5000000 0.2549020), wk = 0.0022523 k( 88) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0022523 k( 89) = ( 0.0000000 0.5000000 0.2745098), wk = 0.0022523 k( 90) = ( 0.0000000 0.5000000 0.2843137), wk = 0.0022523 k( 91) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0022523 k( 92) = ( 0.0000000 0.5000000 0.3039216), wk = 0.0022523 k( 93) = ( 0.0000000 0.5000000 0.3137255), wk = 0.0022523 k( 94) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0022523 k( 95) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022523 k( 96) = ( 0.0000000 0.5000000 0.3431373), wk = 0.0022523 k( 97) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0022523 k( 98) = ( 0.0000000 0.5000000 0.3627451), wk = 0.0022523 k( 99) = ( 0.0000000 0.5000000 0.3725490), wk = 0.0022523 k( 100) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0022523 k( 101) = ( 0.0000000 0.5000000 0.3921569), wk = 0.0022523 k( 102) = ( 0.0000000 0.5000000 0.4019608), wk = 0.0022523 k( 103) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0022523 k( 104) = ( 0.0000000 0.5000000 0.4215686), wk = 0.0022523 k( 105) = ( 0.0000000 0.5000000 0.4313726), wk = 0.0022523 k( 106) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0022523 k( 107) = ( 0.0000000 0.5000000 0.4509804), wk = 0.0022523 k( 108) = ( 0.0000000 0.5000000 0.4607843), wk = 0.0022523 k( 109) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0022523 k( 110) = ( 0.0000000 0.5000000 0.4803922), wk = 0.0022523 k( 111) = ( 0.0000000 0.5000000 0.4901961), wk = 0.0022523 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022523 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022523 k( 114) = ( 0.0174781 0.4897003 0.5000000), wk = 0.0022523 k( 115) = ( 0.0349562 0.4794006 0.5000000), wk = 0.0022523 k( 116) = ( 0.0524343 0.4691010 0.5000000), wk = 0.0022523 k( 117) = ( 0.0699124 0.4588013 0.5000000), wk = 0.0022523 k( 118) = ( 0.0873905 0.4485016 0.5000000), wk = 0.0022523 k( 119) = ( 0.1048686 0.4382019 0.5000000), wk = 0.0022523 k( 120) = ( 0.1223467 0.4279022 0.5000000), wk = 0.0022523 k( 121) = ( 0.1398248 0.4176025 0.5000000), wk = 0.0022523 k( 122) = ( 0.1573029 0.4073029 0.5000000), wk = 0.0022523 k( 123) = ( 0.1747810 0.3970032 0.5000000), wk = 0.0022523 k( 124) = ( 0.1922590 0.3867035 0.5000000), wk = 0.0022523 k( 125) = ( 0.2097372 0.3764038 0.5000000), wk = 0.0022523 k( 126) = ( 0.2272153 0.3661041 0.5000000), wk = 0.0022523 k( 127) = ( 0.2446933 0.3558044 0.5000000), wk = 0.0022523 k( 128) = ( 0.2621714 0.3455048 0.5000000), wk = 0.0022523 k( 129) = ( 0.2796495 0.3352051 0.5000000), wk = 0.0022523 k( 130) = ( 0.2971276 0.3249054 0.5000000), wk = 0.0022523 k( 131) = ( 0.3146057 0.3146057 0.5000000), wk = 0.0022523 k( 132) = ( 0.3146057 0.3146057 0.5000000), wk = 0.0022523 k( 133) = ( 0.3067406 0.3067406 0.5000000), wk = 0.0022523 k( 134) = ( 0.2988754 0.2988754 0.5000000), wk = 0.0022523 k( 135) = ( 0.2910103 0.2910103 0.5000000), wk = 0.0022523 k( 136) = ( 0.2831452 0.2831452 0.5000000), wk = 0.0022523 k( 137) = ( 0.2752800 0.2752800 0.5000000), wk = 0.0022523 k( 138) = ( 0.2674149 0.2674149 0.5000000), wk = 0.0022523 k( 139) = ( 0.2595497 0.2595497 0.5000000), wk = 0.0022523 k( 140) = ( 0.2516846 0.2516846 0.5000000), wk = 0.0022523 k( 141) = ( 0.2438194 0.2438194 0.5000000), wk = 0.0022523 k( 142) = ( 0.2359543 0.2359543 0.5000000), wk = 0.0022523 k( 143) = ( 0.2280891 0.2280891 0.5000000), wk = 0.0022523 k( 144) = ( 0.2202240 0.2202240 0.5000000), wk = 0.0022523 k( 145) = ( 0.2123589 0.2123589 0.5000000), wk = 0.0022523 k( 146) = ( 0.2044937 0.2044937 0.5000000), wk = 0.0022523 k( 147) = ( 0.1966286 0.1966286 0.5000000), wk = 0.0022523 k( 148) = ( 0.1887634 0.1887634 0.5000000), wk = 0.0022523 k( 149) = ( 0.1808983 0.1808983 0.5000000), wk = 0.0022523 k( 150) = ( 0.1730331 0.1730331 0.5000000), wk = 0.0022523 k( 151) = ( 0.1651680 0.1651680 0.5000000), wk = 0.0022523 k( 152) = ( 0.1573029 0.1573029 0.5000000), wk = 0.0022523 k( 153) = ( 0.1494377 0.1494377 0.5000000), wk = 0.0022523 k( 154) = ( 0.1415726 0.1415726 0.5000000), wk = 0.0022523 k( 155) = ( 0.1337074 0.1337074 0.5000000), wk = 0.0022523 k( 156) = ( 0.1258423 0.1258423 0.5000000), wk = 0.0022523 k( 157) = ( 0.1179772 0.1179771 0.5000000), wk = 0.0022523 k( 158) = ( 0.1101120 0.1101120 0.5000000), wk = 0.0022523 k( 159) = ( 0.1022469 0.1022469 0.5000000), wk = 0.0022523 k( 160) = ( 0.0943817 0.0943817 0.5000000), wk = 0.0022523 k( 161) = ( 0.0865166 0.0865166 0.5000000), wk = 0.0022523 k( 162) = ( 0.0786514 0.0786514 0.5000000), wk = 0.0022523 k( 163) = ( 0.0707863 0.0707863 0.5000000), wk = 0.0022523 k( 164) = ( 0.0629211 0.0629211 0.5000000), wk = 0.0022523 k( 165) = ( 0.0550560 0.0550560 0.5000000), wk = 0.0022523 k( 166) = ( 0.0471909 0.0471909 0.5000000), wk = 0.0022523 k( 167) = ( 0.0393257 0.0393257 0.5000000), wk = 0.0022523 k( 168) = ( 0.0314606 0.0314606 0.5000000), wk = 0.0022523 k( 169) = ( 0.0235954 0.0235954 0.5000000), wk = 0.0022523 k( 170) = ( 0.0157303 0.0157303 0.5000000), wk = 0.0022523 k( 171) = ( 0.0078651 0.0078651 0.5000000), wk = 0.0022523 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 174) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0022523 k( 175) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0022523 k( 176) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0022523 k( 179) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0022523 k( 180) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0022523 k( 181) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0022523 k( 182) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0022523 k( 183) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0022523 k( 184) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0022523 k( 185) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0022523 k( 192) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0022523 k( 193) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0022523 k( 194) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0022523 k( 195) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0022523 k( 196) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0022523 k( 197) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0022523 k( 198) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0022523 k( 199) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0022523 k( 200) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0022523 k( 201) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0022523 k( 202) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0022523 k( 203) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0022523 k( 204) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0022523 k( 205) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0022523 k( 206) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0022523 k( 207) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022523 k( 208) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0022523 k( 209) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0022523 k( 210) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0022523 k( 211) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0022523 k( 212) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0022523 k( 213) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0022523 k( 214) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0022523 k( 215) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0022523 k( 216) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0022523 k( 217) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0022523 k( 218) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0022523 k( 219) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0022523 k( 220) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0022523 k( 221) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0022523 k( 222) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0022523 k( 223) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0022523 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 226) = ( -0.0156250 0.0156250 0.0000000), wk = 0.0022523 k( 227) = ( -0.0312500 0.0312500 0.0000000), wk = 0.0022523 k( 228) = ( -0.0468750 0.0468750 0.0000000), wk = 0.0022523 k( 229) = ( -0.0625000 0.0625000 0.0000000), wk = 0.0022523 k( 230) = ( -0.0781250 0.0781250 -0.0000000), wk = 0.0022523 k( 231) = ( -0.0937500 0.0937500 0.0000000), wk = 0.0022523 k( 232) = ( -0.1093750 0.1093750 0.0000000), wk = 0.0022523 k( 233) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0022523 k( 234) = ( -0.1406250 0.1406250 0.0000000), wk = 0.0022523 k( 235) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0022523 k( 236) = ( -0.1718750 0.1718750 0.0000000), wk = 0.0022523 k( 237) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0022523 k( 238) = ( -0.2031250 0.2031250 0.0000000), wk = 0.0022523 k( 239) = ( -0.2187500 0.2187500 0.0000000), wk = 0.0022523 k( 240) = ( -0.2343750 0.2343750 0.0000000), wk = 0.0022523 k( 241) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0022523 k( 242) = ( -0.2656250 0.2656250 0.0000000), wk = 0.0022523 k( 243) = ( -0.2812500 0.2812500 0.0000000), wk = 0.0022523 k( 244) = ( -0.2968750 0.2968750 0.0000000), wk = 0.0022523 k( 245) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0022523 k( 246) = ( -0.3281250 0.3281250 0.0000000), wk = 0.0022523 k( 247) = ( -0.3437500 0.3437500 0.0000000), wk = 0.0022523 k( 248) = ( -0.3593750 0.3593750 -0.0000000), wk = 0.0022523 k( 249) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0022523 k( 250) = ( -0.3906250 0.3906250 0.0000000), wk = 0.0022523 k( 251) = ( -0.4062500 0.4062500 0.0000000), wk = 0.0022523 k( 252) = ( -0.4218750 0.4218750 0.0000000), wk = 0.0022523 k( 253) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0022523 k( 254) = ( -0.4531250 0.4531250 0.0000000), wk = 0.0022523 k( 255) = ( -0.4687500 0.4687500 0.0000000), wk = 0.0022523 k( 256) = ( -0.4843750 0.4843750 0.0000000), wk = 0.0022523 k( 257) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022523 k( 258) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022523 k( 259) = ( -0.4922752 0.5077248 0.0000000), wk = 0.0022523 k( 260) = ( -0.4845505 0.5154495 0.0000000), wk = 0.0022523 k( 261) = ( -0.4768257 0.5231743 0.0000000), wk = 0.0022523 k( 262) = ( -0.4691010 0.5308991 0.0000000), wk = 0.0022523 k( 263) = ( -0.4613762 0.5386238 0.0000000), wk = 0.0022523 k( 264) = ( -0.4536514 0.5463486 0.0000000), wk = 0.0022523 k( 265) = ( -0.4459267 0.5540733 0.0000000), wk = 0.0022523 k( 266) = ( -0.4382019 0.5617981 0.0000000), wk = 0.0022523 k( 267) = ( -0.4304771 0.5695229 0.0000000), wk = 0.0022523 k( 268) = ( -0.4227524 0.5772476 0.0000000), wk = 0.0022523 k( 269) = ( -0.4150276 0.5849724 0.0000000), wk = 0.0022523 k( 270) = ( -0.4073029 0.5926971 0.0000000), wk = 0.0022523 k( 271) = ( -0.3995781 0.6004219 0.0000000), wk = 0.0022523 k( 272) = ( -0.3918533 0.6081467 0.0000000), wk = 0.0022523 k( 273) = ( -0.3841286 0.6158714 0.0000000), wk = 0.0022523 k( 274) = ( -0.3764038 0.6235962 -0.0000000), wk = 0.0022523 k( 275) = ( -0.3686791 0.6313209 0.0000000), wk = 0.0022523 k( 276) = ( -0.3609543 0.6390457 -0.0000000), wk = 0.0022523 k( 277) = ( -0.3532295 0.6467705 0.0000000), wk = 0.0022523 k( 278) = ( -0.3455048 0.6544952 0.0000000), wk = 0.0022523 k( 279) = ( -0.3377800 0.6622200 0.0000000), wk = 0.0022523 k( 280) = ( -0.3300553 0.6699447 0.0000000), wk = 0.0022523 k( 281) = ( -0.3223305 0.6776695 0.0000000), wk = 0.0022523 k( 282) = ( -0.3146057 0.6853943 0.0000000), wk = 0.0022523 k( 283) = ( -0.3146057 0.6853943 0.0000000), wk = 0.0022523 k( 284) = ( -0.3146057 0.6853943 0.0098039), wk = 0.0022523 k( 285) = ( -0.3146057 0.6853943 0.0196078), wk = 0.0022523 k( 286) = ( -0.3146057 0.6853943 0.0294118), wk = 0.0022523 k( 287) = ( -0.3146057 0.6853943 0.0392157), wk = 0.0022523 k( 288) = ( -0.3146057 0.6853943 0.0490196), wk = 0.0022523 k( 289) = ( -0.3146057 0.6853943 0.0588235), wk = 0.0022523 k( 290) = ( -0.3146057 0.6853943 0.0686275), wk = 0.0022523 k( 291) = ( -0.3146057 0.6853943 0.0784314), wk = 0.0022523 k( 292) = ( -0.3146057 0.6853943 0.0882353), wk = 0.0022523 k( 293) = ( -0.3146057 0.6853943 0.0980392), wk = 0.0022523 k( 294) = ( -0.3146057 0.6853943 0.1078431), wk = 0.0022523 k( 295) = ( -0.3146057 0.6853943 0.1176471), wk = 0.0022523 k( 296) = ( -0.3146057 0.6853943 0.1274510), wk = 0.0022523 k( 297) = ( -0.3146057 0.6853943 0.1372549), wk = 0.0022523 k( 298) = ( -0.3146057 0.6853943 0.1470588), wk = 0.0022523 k( 299) = ( -0.3146057 0.6853943 0.1568627), wk = 0.0022523 k( 300) = ( -0.3146057 0.6853943 0.1666667), wk = 0.0022523 k( 301) = ( -0.3146057 0.6853943 0.1764706), wk = 0.0022523 k( 302) = ( -0.3146057 0.6853943 0.1862745), wk = 0.0022523 k( 303) = ( -0.3146057 0.6853943 0.1960784), wk = 0.0022523 k( 304) = ( -0.3146057 0.6853943 0.2058823), wk = 0.0022523 k( 305) = ( -0.3146057 0.6853943 0.2156863), wk = 0.0022523 k( 306) = ( -0.3146057 0.6853943 0.2254902), wk = 0.0022523 k( 307) = ( -0.3146057 0.6853943 0.2352941), wk = 0.0022523 k( 308) = ( -0.3146057 0.6853943 0.2450980), wk = 0.0022523 k( 309) = ( -0.3146057 0.6853943 0.2549020), wk = 0.0022523 k( 310) = ( -0.3146057 0.6853943 0.2647059), wk = 0.0022523 k( 311) = ( -0.3146057 0.6853943 0.2745098), wk = 0.0022523 k( 312) = ( -0.3146057 0.6853943 0.2843137), wk = 0.0022523 k( 313) = ( -0.3146057 0.6853943 0.2941177), wk = 0.0022523 k( 314) = ( -0.3146057 0.6853943 0.3039216), wk = 0.0022523 k( 315) = ( -0.3146057 0.6853943 0.3137255), wk = 0.0022523 k( 316) = ( -0.3146057 0.6853943 0.3235294), wk = 0.0022523 k( 317) = ( -0.3146057 0.6853943 0.3333333), wk = 0.0022523 k( 318) = ( -0.3146057 0.6853943 0.3431373), wk = 0.0022523 k( 319) = ( -0.3146057 0.6853943 0.3529412), wk = 0.0022523 k( 320) = ( -0.3146057 0.6853943 0.3627451), wk = 0.0022523 k( 321) = ( -0.3146057 0.6853943 0.3725490), wk = 0.0022523 k( 322) = ( -0.3146057 0.6853943 0.3823529), wk = 0.0022523 k( 323) = ( -0.3146057 0.6853943 0.3921569), wk = 0.0022523 k( 324) = ( -0.3146057 0.6853943 0.4019608), wk = 0.0022523 k( 325) = ( -0.3146057 0.6853943 0.4117647), wk = 0.0022523 k( 326) = ( -0.3146057 0.6853943 0.4215686), wk = 0.0022523 k( 327) = ( -0.3146057 0.6853943 0.4313726), wk = 0.0022523 k( 328) = ( -0.3146057 0.6853943 0.4411765), wk = 0.0022523 k( 329) = ( -0.3146057 0.6853943 0.4509804), wk = 0.0022523 k( 330) = ( -0.3146057 0.6853943 0.4607843), wk = 0.0022523 k( 331) = ( -0.3146057 0.6853943 0.4705882), wk = 0.0022523 k( 332) = ( -0.3146057 0.6853943 0.4803922), wk = 0.0022523 k( 333) = ( -0.3146057 0.6853943 0.4901961), wk = 0.0022523 k( 334) = ( -0.3146057 0.6853943 0.5000000), wk = 0.0022523 k( 335) = ( -0.3146057 0.6853943 0.5000000), wk = 0.0022523 k( 336) = ( -0.3223305 0.6776695 0.5000000), wk = 0.0022523 k( 337) = ( -0.3300553 0.6699447 0.5000000), wk = 0.0022523 k( 338) = ( -0.3377800 0.6622200 0.5000000), wk = 0.0022523 k( 339) = ( -0.3455048 0.6544952 0.5000000), wk = 0.0022523 k( 340) = ( -0.3532295 0.6467705 0.5000000), wk = 0.0022523 k( 341) = ( -0.3609543 0.6390457 0.5000000), wk = 0.0022523 k( 342) = ( -0.3686791 0.6313209 0.5000000), wk = 0.0022523 k( 343) = ( -0.3764038 0.6235962 0.5000000), wk = 0.0022523 k( 344) = ( -0.3841286 0.6158714 0.5000000), wk = 0.0022523 k( 345) = ( -0.3918533 0.6081467 0.5000000), wk = 0.0022523 k( 346) = ( -0.3995781 0.6004219 0.5000000), wk = 0.0022523 k( 347) = ( -0.4073029 0.5926971 0.5000000), wk = 0.0022523 k( 348) = ( -0.4150276 0.5849724 0.5000000), wk = 0.0022523 k( 349) = ( -0.4227524 0.5772476 0.5000000), wk = 0.0022523 k( 350) = ( -0.4304771 0.5695229 0.5000000), wk = 0.0022523 k( 351) = ( -0.4382019 0.5617981 0.5000000), wk = 0.0022523 k( 352) = ( -0.4459267 0.5540733 0.5000000), wk = 0.0022523 k( 353) = ( -0.4536514 0.5463486 0.5000000), wk = 0.0022523 k( 354) = ( -0.4613762 0.5386238 0.5000000), wk = 0.0022523 k( 355) = ( -0.4691010 0.5308991 0.5000000), wk = 0.0022523 k( 356) = ( -0.4768257 0.5231743 0.5000000), wk = 0.0022523 k( 357) = ( -0.4845505 0.5154495 0.5000000), wk = 0.0022523 k( 358) = ( -0.4922752 0.5077248 0.5000000), wk = 0.0022523 k( 359) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022523 k( 360) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022523 k( 361) = ( -0.5000000 0.5000000 0.4901961), wk = 0.0022523 k( 362) = ( -0.5000000 0.5000000 0.4803922), wk = 0.0022523 k( 363) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0022523 k( 364) = ( -0.5000000 0.5000000 0.4607843), wk = 0.0022523 k( 365) = ( -0.5000000 0.5000000 0.4509804), wk = 0.0022523 k( 366) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0022523 k( 367) = ( -0.5000000 0.5000000 0.4313726), wk = 0.0022523 k( 368) = ( -0.5000000 0.5000000 0.4215686), wk = 0.0022523 k( 369) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0022523 k( 370) = ( -0.5000000 0.5000000 0.4019608), wk = 0.0022523 k( 371) = ( -0.5000000 0.5000000 0.3921569), wk = 0.0022523 k( 372) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0022523 k( 373) = ( -0.5000000 0.5000000 0.3725490), wk = 0.0022523 k( 374) = ( -0.5000000 0.5000000 0.3627451), wk = 0.0022523 k( 375) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0022523 k( 376) = ( -0.5000000 0.5000000 0.3431373), wk = 0.0022523 k( 377) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0022523 k( 378) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0022523 k( 379) = ( -0.5000000 0.5000000 0.3137255), wk = 0.0022523 k( 380) = ( -0.5000000 0.5000000 0.3039216), wk = 0.0022523 k( 381) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0022523 k( 382) = ( -0.5000000 0.5000000 0.2843137), wk = 0.0022523 k( 383) = ( -0.5000000 0.5000000 0.2745098), wk = 0.0022523 k( 384) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0022523 k( 385) = ( -0.5000000 0.5000000 0.2549020), wk = 0.0022523 k( 386) = ( -0.5000000 0.5000000 0.2450980), wk = 0.0022523 k( 387) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0022523 k( 388) = ( -0.5000000 0.5000000 0.2254902), wk = 0.0022523 k( 389) = ( -0.5000000 0.5000000 0.2156863), wk = 0.0022523 k( 390) = ( -0.5000000 0.5000000 0.2058823), wk = 0.0022523 k( 391) = ( -0.5000000 0.5000000 0.1960784), wk = 0.0022523 k( 392) = ( -0.5000000 0.5000000 0.1862745), wk = 0.0022523 k( 393) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0022523 k( 394) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0022523 k( 395) = ( -0.5000000 0.5000000 0.1568627), wk = 0.0022523 k( 396) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0022523 k( 397) = ( -0.5000000 0.5000000 0.1372549), wk = 0.0022523 k( 398) = ( -0.5000000 0.5000000 0.1274510), wk = 0.0022523 k( 399) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0022523 k( 400) = ( -0.5000000 0.5000000 0.1078431), wk = 0.0022523 k( 401) = ( -0.5000000 0.5000000 0.0980392), wk = 0.0022523 k( 402) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0022523 k( 403) = ( -0.5000000 0.5000000 0.0784314), wk = 0.0022523 k( 404) = ( -0.5000000 0.5000000 0.0686275), wk = 0.0022523 k( 405) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0022523 k( 406) = ( -0.5000000 0.5000000 0.0490196), wk = 0.0022523 k( 407) = ( -0.5000000 0.5000000 0.0392157), wk = 0.0022523 k( 408) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0022523 k( 409) = ( -0.5000000 0.5000000 0.0196078), wk = 0.0022523 k( 410) = ( -0.5000000 0.5000000 0.0098039), wk = 0.0022523 k( 411) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022523 k( 412) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 413) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0022523 k( 414) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0022523 k( 415) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0022523 k( 416) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0022523 k( 417) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0022523 k( 418) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0022523 k( 419) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0022523 k( 420) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0022523 k( 421) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0022523 k( 422) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0022523 k( 423) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0022523 k( 424) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0022523 k( 425) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0022523 k( 426) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0022523 k( 427) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0022523 k( 428) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022523 k( 429) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0022523 k( 430) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0022523 k( 431) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0022523 k( 432) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0022523 k( 433) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0022523 k( 434) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0022523 k( 435) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0022523 k( 436) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0022523 k( 437) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0022523 k( 438) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0022523 k( 439) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0022523 k( 440) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0022523 k( 441) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0022523 k( 442) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0022523 k( 443) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0022523 k( 444) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022523 Dense grid: 71525 G-vectors FFT dimensions: ( 72, 72, 40) Smooth grid: 25877 G-vectors FFT dimensions: ( 48, 48, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 180, 36) NL pseudopotentials 0.19 Mb ( 90, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 1987) G-vector shells 0.01 Mb ( 1010) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 180, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./ScAl.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs 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 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 14.9 secs Computing kpt #: 27 total cpu time spent up to now is 15.3 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.1 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 17.7 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.7 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 19.7 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.6 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.6 secs Computing kpt #: 36 total cpu time spent up to now is 22.2 secs Computing kpt #: 37 total cpu time spent up to now is 23.1 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.8 secs Computing kpt #: 40 total cpu time spent up to now is 25.5 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.4 secs Computing kpt #: 42 total cpu time spent up to now is 27.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.2 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 30.0 secs Computing kpt #: 46 total cpu time spent up to now is 30.9 secs Computing kpt #: 47 total cpu time spent up to now is 31.7 secs Computing kpt #: 48 total cpu time spent up to now is 32.6 secs Computing kpt #: 49 total cpu time spent up to now is 33.4 secs Computing kpt #: 50 total cpu time spent up to now is 34.2 secs Computing kpt #: 51 total cpu time spent up to now is 35.1 secs Computing kpt #: 52 total cpu time spent up to now is 35.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.6 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.6 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 38.5 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 39.6 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 40.5 secs Computing kpt #: 58 total cpu time spent up to now is 41.4 secs Computing kpt #: 59 total cpu time spent up to now is 44.1 secs Computing kpt #: 60 total cpu time spent up to now is 44.6 secs Computing kpt #: 61 total cpu time spent up to now is 45.2 secs Computing kpt #: 62 total cpu time spent up to now is 45.8 secs Computing kpt #: 63 total cpu time spent up to now is 46.5 secs Computing kpt #: 64 total cpu time spent up to now is 47.1 secs Computing kpt #: 65 total cpu time spent up to now is 47.7 secs Computing kpt #: 66 total cpu time spent up to now is 48.2 secs Computing kpt #: 67 total cpu time spent up to now is 48.7 secs Computing kpt #: 68 total cpu time spent up to now is 49.2 secs Computing kpt #: 69 total cpu time spent up to now is 49.7 secs Computing kpt #: 70 total cpu time spent up to now is 50.3 secs Computing kpt #: 71 total cpu time spent up to now is 50.8 secs Computing kpt #: 72 total cpu time spent up to now is 51.3 secs Computing kpt #: 73 total cpu time spent up to now is 51.8 secs Computing kpt #: 74 total cpu time spent up to now is 52.3 secs Computing kpt #: 75 total cpu time spent up to now is 52.7 secs Computing kpt #: 76 total cpu time spent up to now is 53.2 secs Computing kpt #: 77 total cpu time spent up to now is 53.7 secs Computing kpt #: 78 total cpu time spent up to now is 54.1 secs Computing kpt #: 79 total cpu time spent up to now is 54.5 secs Computing kpt #: 80 total cpu time spent up to now is 54.9 secs Computing kpt #: 81 total cpu time spent up to now is 55.3 secs Computing kpt #: 82 total cpu time spent up to now is 55.8 secs Computing kpt #: 83 total cpu time spent up to now is 56.2 secs Computing kpt #: 84 total cpu time spent up to now is 56.7 secs Computing kpt #: 85 total cpu time spent up to now is 58.6 secs Computing kpt #: 86 total cpu time spent up to now is 59.1 secs Computing kpt #: 87 total cpu time spent up to now is 59.5 secs Computing kpt #: 88 total cpu time spent up to now is 59.9 secs Computing kpt #: 89 total cpu time spent up to now is 60.3 secs Computing kpt #: 90 total cpu time spent up to now is 60.6 secs Computing kpt #: 91 total cpu time spent up to now is 61.0 secs Computing kpt #: 92 total cpu time spent up to now is 61.3 secs Computing kpt #: 93 total cpu time spent up to now is 61.7 secs Computing kpt #: 94 total cpu time spent up to now is 62.0 secs Computing kpt #: 95 total cpu time spent up to now is 62.4 secs Computing kpt #: 96 total cpu time spent up to now is 62.8 secs Computing kpt #: 97 total cpu time spent up to now is 63.1 secs Computing kpt #: 98 total cpu time spent up to now is 63.5 secs Computing kpt #: 99 total cpu time spent up to now is 63.8 secs Computing kpt #: 100 total cpu time spent up to now is 64.1 secs Computing kpt #: 101 total cpu time spent up to now is 64.5 secs Computing kpt #: 102 total cpu time spent up to now is 64.8 secs Computing kpt #: 103 total cpu time spent up to now is 65.1 secs Computing kpt #: 104 total cpu time spent up to now is 65.5 secs Computing kpt #: 105 total cpu time spent up to now is 65.8 secs Computing kpt #: 106 total cpu time spent up to now is 66.1 secs Computing kpt #: 107 total cpu time spent up to now is 66.4 secs Computing kpt #: 108 total cpu time spent up to now is 66.7 secs Computing kpt #: 109 total cpu time spent up to now is 67.1 secs Computing kpt #: 110 total cpu time spent up to now is 67.4 secs Computing kpt #: 111 total cpu time spent up to now is 67.7 secs Computing kpt #: 112 total cpu time spent up to now is 68.0 secs Computing kpt #: 113 total cpu time spent up to now is 68.3 secs Computing kpt #: 114 total cpu time spent up to now is 68.6 secs Computing kpt #: 115 total cpu time spent up to now is 68.9 secs Computing kpt #: 116 total cpu time spent up to now is 69.2 secs Computing kpt #: 117 total cpu time spent up to now is 69.5 secs Computing kpt #: 118 total cpu time spent up to now is 69.9 secs Computing kpt #: 119 total cpu time spent up to now is 70.2 secs Computing kpt #: 120 total cpu time spent up to now is 70.5 secs Computing kpt #: 121 total cpu time spent up to now is 70.8 secs Computing kpt #: 122 total cpu time spent up to now is 71.1 secs Computing kpt #: 123 total cpu time spent up to now is 71.5 secs Computing kpt #: 124 total cpu time spent up to now is 71.9 secs Computing kpt #: 125 total cpu time spent up to now is 72.2 secs Computing kpt #: 126 total cpu time spent up to now is 72.5 secs Computing kpt #: 127 total cpu time spent up to now is 72.8 secs Computing kpt #: 128 total cpu time spent up to now is 73.1 secs Computing kpt #: 129 total cpu time spent up to now is 73.5 secs Computing kpt #: 130 total cpu time spent up to now is 73.8 secs Computing kpt #: 131 total cpu time spent up to now is 74.2 secs Computing kpt #: 132 total cpu time spent up to now is 74.5 secs Computing kpt #: 133 total cpu time spent up to now is 74.8 secs Computing kpt #: 134 total cpu time spent up to now is 75.2 secs Computing kpt #: 135 total cpu time spent up to now is 75.5 secs Computing kpt #: 136 total cpu time spent up to now is 75.8 secs Computing kpt #: 137 total cpu time spent up to now is 76.1 secs Computing kpt #: 138 total cpu time spent up to now is 76.5 secs Computing kpt #: 139 total cpu time spent up to now is 76.8 secs Computing kpt #: 140 total cpu time spent up to now is 77.1 secs Computing kpt #: 141 total cpu time spent up to now is 77.4 secs Computing kpt #: 142 total cpu time spent up to now is 77.7 secs Computing kpt #: 143 total cpu time spent up to now is 78.0 secs Computing kpt #: 144 total cpu time spent up to now is 78.4 secs Computing kpt #: 145 total cpu time spent up to now is 78.7 secs Computing kpt #: 146 total cpu time spent up to now is 79.0 secs Computing kpt #: 147 total cpu time spent up to now is 79.3 secs Computing kpt #: 148 total cpu time spent up to now is 79.7 secs Computing kpt #: 149 total cpu time spent up to now is 80.0 secs Computing kpt #: 150 total cpu time spent up to now is 80.4 secs Computing kpt #: 151 total cpu time spent up to now is 80.7 secs Computing kpt #: 152 total cpu time spent up to now is 81.1 secs Computing kpt #: 153 total cpu time spent up to now is 81.5 secs Computing kpt #: 154 total cpu time spent up to now is 81.9 secs Computing kpt #: 155 total cpu time spent up to now is 82.3 secs Computing kpt #: 156 total cpu time spent up to now is 82.7 secs Computing kpt #: 157 total cpu time spent up to now is 83.1 secs Computing kpt #: 158 total cpu time spent up to now is 83.5 secs Computing kpt #: 159 total cpu time spent up to now is 84.0 secs Computing kpt #: 160 total cpu time spent up to now is 84.4 secs Computing kpt #: 161 total cpu time spent up to now is 84.9 secs Computing kpt #: 162 total cpu time spent up to now is 85.4 secs Computing kpt #: 163 total cpu time spent up to now is 85.8 secs Computing kpt #: 164 total cpu time spent up to now is 86.3 secs Computing kpt #: 165 total cpu time spent up to now is 86.8 secs Computing kpt #: 166 total cpu time spent up to now is 87.4 secs Computing kpt #: 167 total cpu time spent up to now is 87.9 secs Computing kpt #: 168 total cpu time spent up to now is 88.4 secs Computing kpt #: 169 total cpu time spent up to now is 89.0 secs Computing kpt #: 170 total cpu time spent up to now is 89.4 secs Computing kpt #: 171 total cpu time spent up to now is 90.1 secs Computing kpt #: 172 total cpu time spent up to now is 90.7 secs Computing kpt #: 173 total cpu time spent up to now is 91.3 secs Computing kpt #: 174 total cpu time spent up to now is 92.0 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.9 secs Computing kpt #: 177 total cpu time spent up to now is 94.9 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.8 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.7 secs Computing kpt #: 181 total cpu time spent up to now is 98.6 secs Computing kpt #: 182 total cpu time spent up to now is 99.6 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.6 secs Computing kpt #: 184 total cpu time spent up to now is 101.4 secs Computing kpt #: 185 total cpu time spent up to now is 102.4 secs Computing kpt #: 186 total cpu time spent up to now is 103.1 secs Computing kpt #: 187 total cpu time spent up to now is 103.9 secs Computing kpt #: 188 total cpu time spent up to now is 104.6 secs Computing kpt #: 189 total cpu time spent up to now is 105.3 secs Computing kpt #: 190 total cpu time spent up to now is 106.0 secs Computing kpt #: 191 total cpu time spent up to now is 106.7 secs Computing kpt #: 192 total cpu time spent up to now is 107.1 secs Computing kpt #: 193 total cpu time spent up to now is 107.6 secs Computing kpt #: 194 total cpu time spent up to now is 108.1 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.1 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.0 secs Computing kpt #: 197 total cpu time spent up to now is 110.9 secs Computing kpt #: 198 total cpu time spent up to now is 111.4 secs Computing kpt #: 199 total cpu time spent up to now is 111.9 secs Computing kpt #: 200 total cpu time spent up to now is 112.3 secs Computing kpt #: 201 total cpu time spent up to now is 112.8 secs Computing kpt #: 202 total cpu time spent up to now is 113.2 secs Computing kpt #: 203 total cpu time spent up to now is 113.6 secs Computing kpt #: 204 total cpu time spent up to now is 114.1 secs Computing kpt #: 205 total cpu time spent up to now is 114.6 secs Computing kpt #: 206 total cpu time spent up to now is 115.5 secs Computing kpt #: 207 total cpu time spent up to now is 116.2 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.1 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.1 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.0 secs Computing kpt #: 211 total cpu time spent up to now is 119.8 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.7 secs Computing kpt #: 213 total cpu time spent up to now is 121.4 secs Computing kpt #: 214 total cpu time spent up to now is 122.3 secs Computing kpt #: 215 total cpu time spent up to now is 122.9 secs Computing kpt #: 216 total cpu time spent up to now is 123.7 secs Computing kpt #: 217 total cpu time spent up to now is 124.3 secs Computing kpt #: 218 total cpu time spent up to now is 125.0 secs Computing kpt #: 219 total cpu time spent up to now is 125.6 secs Computing kpt #: 220 total cpu time spent up to now is 126.3 secs Computing kpt #: 221 total cpu time spent up to now is 127.1 secs Computing kpt #: 222 total cpu time spent up to now is 127.8 secs Computing kpt #: 223 total cpu time spent up to now is 128.6 secs Computing kpt #: 224 total cpu time spent up to now is 129.2 secs Computing kpt #: 225 total cpu time spent up to now is 129.7 secs Computing kpt #: 226 total cpu time spent up to now is 130.3 secs Computing kpt #: 227 total cpu time spent up to now is 131.0 secs Computing kpt #: 228 total cpu time spent up to now is 131.6 secs Computing kpt #: 229 total cpu time spent up to now is 132.2 secs Computing kpt #: 230 total cpu time spent up to now is 132.7 secs Computing kpt #: 231 total cpu time spent up to now is 133.2 secs Computing kpt #: 232 total cpu time spent up to now is 133.7 secs Computing kpt #: 233 total cpu time spent up to now is 134.2 secs Computing kpt #: 234 total cpu time spent up to now is 134.7 secs Computing kpt #: 235 total cpu time spent up to now is 135.1 secs Computing kpt #: 236 total cpu time spent up to now is 135.5 secs Computing kpt #: 237 total cpu time spent up to now is 135.9 secs Computing kpt #: 238 total cpu time spent up to now is 136.3 secs Computing kpt #: 239 total cpu time spent up to now is 136.6 secs Computing kpt #: 240 total cpu time spent up to now is 136.9 secs Computing kpt #: 241 total cpu time spent up to now is 137.3 secs Computing kpt #: 242 total cpu time spent up to now is 137.7 secs Computing kpt #: 243 total cpu time spent up to now is 138.1 secs Computing kpt #: 244 total cpu time spent up to now is 138.4 secs Computing kpt #: 245 total cpu time spent up to now is 138.8 secs Computing kpt #: 246 total cpu time spent up to now is 139.1 secs Computing kpt #: 247 total cpu time spent up to now is 139.4 secs Computing kpt #: 248 total cpu time spent up to now is 139.8 secs Computing kpt #: 249 total cpu time spent up to now is 140.1 secs Computing kpt #: 250 total cpu time spent up to now is 140.4 secs Computing kpt #: 251 total cpu time spent up to now is 140.7 secs Computing kpt #: 252 total cpu time spent up to now is 141.0 secs Computing kpt #: 253 total cpu time spent up to now is 141.4 secs Computing kpt #: 254 total cpu time spent up to now is 141.7 secs Computing kpt #: 255 total cpu time spent up to now is 142.0 secs Computing kpt #: 256 total cpu time spent up to now is 142.4 secs Computing kpt #: 257 total cpu time spent up to now is 142.7 secs Computing kpt #: 258 total cpu time spent up to now is 143.1 secs Computing kpt #: 259 total cpu time spent up to now is 143.4 secs Computing kpt #: 260 total cpu time spent up to now is 143.8 secs Computing kpt #: 261 total cpu time spent up to now is 144.2 secs Computing kpt #: 262 total cpu time spent up to now is 144.6 secs Computing kpt #: 263 total cpu time spent up to now is 145.0 secs Computing kpt #: 264 total cpu time spent up to now is 145.5 secs Computing kpt #: 265 total cpu time spent up to now is 146.0 secs Computing kpt #: 266 total cpu time spent up to now is 146.4 secs Computing kpt #: 267 total cpu time spent up to now is 146.9 secs Computing kpt #: 268 total cpu time spent up to now is 147.4 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.4 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.3 secs Computing kpt #: 271 total cpu time spent up to now is 150.1 secs Computing kpt #: 272 total cpu time spent up to now is 150.8 secs Computing kpt #: 273 total cpu time spent up to now is 151.6 secs Computing kpt #: 274 total cpu time spent up to now is 152.5 secs Computing kpt #: 275 total cpu time spent up to now is 153.2 secs Computing kpt #: 276 total cpu time spent up to now is 154.1 secs Computing kpt #: 277 total cpu time spent up to now is 154.7 secs Computing kpt #: 278 total cpu time spent up to now is 155.5 secs Computing kpt #: 279 total cpu time spent up to now is 156.1 secs Computing kpt #: 280 total cpu time spent up to now is 156.9 secs Computing kpt #: 281 total cpu time spent up to now is 157.6 secs Computing kpt #: 282 total cpu time spent up to now is 158.4 secs Computing kpt #: 283 total cpu time spent up to now is 159.1 secs Computing kpt #: 284 total cpu time spent up to now is 160.0 secs Computing kpt #: 285 total cpu time spent up to now is 160.8 secs Computing kpt #: 286 total cpu time spent up to now is 161.4 secs Computing kpt #: 287 total cpu time spent up to now is 162.0 secs Computing kpt #: 288 total cpu time spent up to now is 162.6 secs Computing kpt #: 289 total cpu time spent up to now is 163.1 secs Computing kpt #: 290 total cpu time spent up to now is 164.8 secs Computing kpt #: 291 total cpu time spent up to now is 165.3 secs Computing kpt #: 292 total cpu time spent up to now is 165.8 secs Computing kpt #: 293 total cpu time spent up to now is 166.3 secs Computing kpt #: 294 total cpu time spent up to now is 166.7 secs Computing kpt #: 295 total cpu time spent up to now is 167.2 secs Computing kpt #: 296 total cpu time spent up to now is 167.6 secs Computing kpt #: 297 total cpu time spent up to now is 168.1 secs Computing kpt #: 298 total cpu time spent up to now is 168.5 secs Computing kpt #: 299 total cpu time spent up to now is 168.9 secs Computing kpt #: 300 total cpu time spent up to now is 169.4 secs Computing kpt #: 301 total cpu time spent up to now is 169.8 secs Computing kpt #: 302 total cpu time spent up to now is 170.2 secs Computing kpt #: 303 total cpu time spent up to now is 170.6 secs Computing kpt #: 304 total cpu time spent up to now is 171.0 secs Computing kpt #: 305 total cpu time spent up to now is 171.4 secs Computing kpt #: 306 total cpu time spent up to now is 171.8 secs Computing kpt #: 307 total cpu time spent up to now is 172.3 secs Computing kpt #: 308 total cpu time spent up to now is 172.7 secs Computing kpt #: 309 total cpu time spent up to now is 173.1 secs Computing kpt #: 310 total cpu time spent up to now is 173.5 secs Computing kpt #: 311 total cpu time spent up to now is 173.9 secs Computing kpt #: 312 total cpu time spent up to now is 174.4 secs Computing kpt #: 313 total cpu time spent up to now is 174.7 secs Computing kpt #: 314 total cpu time spent up to now is 175.1 secs Computing kpt #: 315 total cpu time spent up to now is 175.5 secs Computing kpt #: 316 total cpu time spent up to now is 175.8 secs Computing kpt #: 317 total cpu time spent up to now is 176.1 secs Computing kpt #: 318 total cpu time spent up to now is 176.5 secs Computing kpt #: 319 total cpu time spent up to now is 176.8 secs Computing kpt #: 320 total cpu time spent up to now is 177.1 secs Computing kpt #: 321 total cpu time spent up to now is 177.5 secs Computing kpt #: 322 total cpu time spent up to now is 177.9 secs Computing kpt #: 323 total cpu time spent up to now is 178.2 secs Computing kpt #: 324 total cpu time spent up to now is 178.5 secs Computing kpt #: 325 total cpu time spent up to now is 178.9 secs Computing kpt #: 326 total cpu time spent up to now is 179.3 secs Computing kpt #: 327 total cpu time spent up to now is 179.6 secs Computing kpt #: 328 total cpu time spent up to now is 179.9 secs Computing kpt #: 329 total cpu time spent up to now is 180.2 secs Computing kpt #: 330 total cpu time spent up to now is 180.6 secs Computing kpt #: 331 total cpu time spent up to now is 181.0 secs Computing kpt #: 332 total cpu time spent up to now is 181.3 secs Computing kpt #: 333 total cpu time spent up to now is 181.6 secs Computing kpt #: 334 total cpu time spent up to now is 181.9 secs Computing kpt #: 335 total cpu time spent up to now is 182.2 secs Computing kpt #: 336 total cpu time spent up to now is 182.6 secs Computing kpt #: 337 total cpu time spent up to now is 182.9 secs Computing kpt #: 338 total cpu time spent up to now is 183.2 secs Computing kpt #: 339 total cpu time spent up to now is 183.5 secs Computing kpt #: 340 total cpu time spent up to now is 183.8 secs Computing kpt #: 341 total cpu time spent up to now is 184.1 secs Computing kpt #: 342 total cpu time spent up to now is 184.5 secs Computing kpt #: 343 total cpu time spent up to now is 184.8 secs Computing kpt #: 344 total cpu time spent up to now is 185.1 secs Computing kpt #: 345 total cpu time spent up to now is 185.4 secs Computing kpt #: 346 total cpu time spent up to now is 185.7 secs Computing kpt #: 347 total cpu time spent up to now is 186.0 secs Computing kpt #: 348 total cpu time spent up to now is 186.4 secs Computing kpt #: 349 total cpu time spent up to now is 186.7 secs Computing kpt #: 350 total cpu time spent up to now is 187.0 secs Computing kpt #: 351 total cpu time spent up to now is 187.3 secs Computing kpt #: 352 total cpu time spent up to now is 187.6 secs Computing kpt #: 353 total cpu time spent up to now is 188.0 secs Computing kpt #: 354 total cpu time spent up to now is 188.3 secs Computing kpt #: 355 total cpu time spent up to now is 188.6 secs Computing kpt #: 356 total cpu time spent up to now is 189.0 secs Computing kpt #: 357 total cpu time spent up to now is 189.3 secs Computing kpt #: 358 total cpu time spent up to now is 189.6 secs Computing kpt #: 359 total cpu time spent up to now is 189.9 secs Computing kpt #: 360 total cpu time spent up to now is 190.3 secs Computing kpt #: 361 total cpu time spent up to now is 190.6 secs Computing kpt #: 362 total cpu time spent up to now is 190.9 secs Computing kpt #: 363 total cpu time spent up to now is 191.2 secs Computing kpt #: 364 total cpu time spent up to now is 191.6 secs Computing kpt #: 365 total cpu time spent up to now is 191.9 secs Computing kpt #: 366 total cpu time spent up to now is 192.3 secs Computing kpt #: 367 total cpu time spent up to now is 192.8 secs Computing kpt #: 368 total cpu time spent up to now is 193.5 secs Computing kpt #: 369 total cpu time spent up to now is 194.0 secs Computing kpt #: 370 total cpu time spent up to now is 194.5 secs Computing kpt #: 371 total cpu time spent up to now is 194.9 secs Computing kpt #: 372 total cpu time spent up to now is 195.3 secs Computing kpt #: 373 total cpu time spent up to now is 195.6 secs Computing kpt #: 374 total cpu time spent up to now is 196.0 secs Computing kpt #: 375 total cpu time spent up to now is 196.4 secs Computing kpt #: 376 total cpu time spent up to now is 196.7 secs Computing kpt #: 377 total cpu time spent up to now is 197.1 secs Computing kpt #: 378 total cpu time spent up to now is 197.4 secs Computing kpt #: 379 total cpu time spent up to now is 197.8 secs Computing kpt #: 380 total cpu time spent up to now is 198.3 secs Computing kpt #: 381 total cpu time spent up to now is 198.8 secs Computing kpt #: 382 total cpu time spent up to now is 199.3 secs Computing kpt #: 383 total cpu time spent up to now is 200.1 secs Computing kpt #: 384 total cpu time spent up to now is 201.1 secs Computing kpt #: 385 total cpu time spent up to now is 202.0 secs Computing kpt #: 386 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.9 secs Computing kpt #: 387 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.9 secs Computing kpt #: 388 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.8 secs Computing kpt #: 389 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.7 secs Computing kpt #: 390 total cpu time spent up to now is 206.2 secs Computing kpt #: 391 total cpu time spent up to now is 206.6 secs Computing kpt #: 392 total cpu time spent up to now is 207.0 secs Computing kpt #: 393 total cpu time spent up to now is 207.4 secs Computing kpt #: 394 total cpu time spent up to now is 207.7 secs Computing kpt #: 395 total cpu time spent up to now is 208.1 secs Computing kpt #: 396 total cpu time spent up to now is 208.4 secs Computing kpt #: 397 total cpu time spent up to now is 208.8 secs Computing kpt #: 398 total cpu time spent up to now is 209.2 secs Computing kpt #: 399 total cpu time spent up to now is 209.5 secs Computing kpt #: 400 total cpu time spent up to now is 209.8 secs Computing kpt #: 401 total cpu time spent up to now is 210.2 secs Computing kpt #: 402 total cpu time spent up to now is 210.5 secs Computing kpt #: 403 total cpu time spent up to now is 210.9 secs Computing kpt #: 404 total cpu time spent up to now is 211.2 secs Computing kpt #: 405 total cpu time spent up to now is 211.6 secs Computing kpt #: 406 total cpu time spent up to now is 211.9 secs Computing kpt #: 407 total cpu time spent up to now is 212.3 secs Computing kpt #: 408 total cpu time spent up to now is 212.7 secs Computing kpt #: 409 total cpu time spent up to now is 213.2 secs Computing kpt #: 410 total cpu time spent up to now is 213.6 secs Computing kpt #: 411 total cpu time spent up to now is 213.9 secs Computing kpt #: 412 total cpu time spent up to now is 214.5 secs Computing kpt #: 413 total cpu time spent up to now is 215.1 secs Computing kpt #: 414 total cpu time spent up to now is 215.7 secs Computing kpt #: 415 total cpu time spent up to now is 216.2 secs Computing kpt #: 416 total cpu time spent up to now is 216.7 secs Computing kpt #: 417 total cpu time spent up to now is 217.1 secs Computing kpt #: 418 total cpu time spent up to now is 217.6 secs Computing kpt #: 419 total cpu time spent up to now is 217.9 secs Computing kpt #: 420 total cpu time spent up to now is 218.3 secs Computing kpt #: 421 total cpu time spent up to now is 218.7 secs Computing kpt #: 422 total cpu time spent up to now is 219.1 secs Computing kpt #: 423 total cpu time spent up to now is 219.5 secs Computing kpt #: 424 total cpu time spent up to now is 219.9 secs Computing kpt #: 425 total cpu time spent up to now is 220.2 secs Computing kpt #: 426 total cpu time spent up to now is 220.6 secs Computing kpt #: 427 total cpu time spent up to now is 220.9 secs Computing kpt #: 428 total cpu time spent up to now is 221.2 secs Computing kpt #: 429 total cpu time spent up to now is 221.6 secs Computing kpt #: 430 total cpu time spent up to now is 221.9 secs Computing kpt #: 431 total cpu time spent up to now is 222.2 secs Computing kpt #: 432 total cpu time spent up to now is 222.5 secs Computing kpt #: 433 total cpu time spent up to now is 222.8 secs Computing kpt #: 434 total cpu time spent up to now is 223.2 secs Computing kpt #: 435 total cpu time spent up to now is 223.5 secs Computing kpt #: 436 total cpu time spent up to now is 223.8 secs Computing kpt #: 437 total cpu time spent up to now is 224.1 secs Computing kpt #: 438 total cpu time spent up to now is 224.4 secs Computing kpt #: 439 total cpu time spent up to now is 224.7 secs Computing kpt #: 440 total cpu time spent up to now is 225.0 secs Computing kpt #: 441 total cpu time spent up to now is 225.4 secs Computing kpt #: 442 total cpu time spent up to now is 225.7 secs Computing kpt #: 443 total cpu time spent up to now is 226.0 secs Computing kpt #: 444 total cpu time spent up to now is 226.3 secs ethr = 3.57E-08, avg # of iterations = 46.8 total cpu time spent up to now is 226.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3215 PWs) bands (ev): -40.2764 -40.2764 -40.2184 -40.2184 -19.2800 -19.2800 -19.1435 -19.1435 -18.8227 -18.8227 -18.6628 -18.6628 -18.6387 -18.6387 -18.5192 -18.5192 0.3307 0.3307 5.2930 5.2930 6.5830 6.5830 6.7159 6.7159 8.3917 8.3917 8.5612 8.5612 8.7396 8.7396 10.8268 10.8268 11.1584 11.1584 11.8307 11.8307 k = 0.0079 0.0155-0.0000 ( 3217 PWs) bands (ev): -40.2764 -40.2764 -40.2184 -40.2184 -19.2800 -19.2800 -19.1435 -19.1435 -18.8227 -18.8227 -18.6629 -18.6629 -18.6387 -18.6387 -18.5192 -18.5192 0.3319 0.3319 5.2937 5.2937 6.5387 6.5387 6.7588 6.7588 8.3686 8.3686 8.5826 8.5826 8.7411 8.7411 10.8262 10.8262 11.1585 11.1585 11.8287 11.8287 k = 0.0157 0.0309-0.0000 ( 3217 PWs) bands (ev): -40.2764 -40.2764 -40.2184 -40.2184 -19.2799 -19.2799 -19.1436 -19.1436 -18.8226 -18.8226 -18.6630 -18.6630 -18.6387 -18.6387 -18.5192 -18.5192 0.3354 0.3354 5.2956 5.2956 6.4594 6.4594 6.8340 6.8340 8.3173 8.3173 8.6286 8.6286 8.7455 8.7455 10.8241 10.8241 11.1589 11.1589 11.8227 11.8227 k = 0.0236 0.0464-0.0000 ( 3225 PWs) bands (ev): -40.2764 -40.2764 -40.2184 -40.2184 -19.2799 -19.2799 -19.1437 -19.1437 -18.8225 -18.8225 -18.6631 -18.6631 -18.6386 -18.6386 -18.5193 -18.5193 0.3411 0.3411 5.2988 5.2988 6.3731 6.3731 6.9133 6.9133 8.2555 8.2555 8.6817 8.6817 8.7531 8.7531 10.8207 10.8207 11.1594 11.1594 11.8130 11.8130 k = 0.0315 0.0619-0.0000 ( 3221 PWs) bands (ev): -40.2763 -40.2763 -40.2184 -40.2184 -19.2798 -19.2798 -19.1439 -19.1439 -18.8224 -18.8224 -18.6634 -18.6634 -18.6385 -18.6385 -18.5193 -18.5193 0.3492 0.3492 5.3031 5.3031 6.2845 6.2845 6.9920 6.9920 8.1891 8.1891 8.7357 8.7357 8.7644 8.7644 10.8160 10.8160 11.1602 11.1602 11.7998 11.7999 k = 0.0393 0.0774-0.0000 ( 3221 PWs) bands (ev): -40.2763 -40.2763 -40.2184 -40.2184 -19.2796 -19.2796 -19.1441 -19.1441 -18.8222 -18.8222 -18.6636 -18.6636 -18.6383 -18.6383 -18.5194 -18.5194 0.3595 0.3595 5.3085 5.3085 6.1949 6.1949 7.0686 7.0686 8.1201 8.1201 8.7742 8.7742 8.7940 8.7940 10.8101 10.8101 11.1612 11.1612 11.7836 11.7836 k = 0.0472 0.0928-0.0000 ( 3221 PWs) bands (ev): -40.2763 -40.2763 -40.2185 -40.2185 -19.2795 -19.2795 -19.1444 -19.1444 -18.8220 -18.8220 -18.6640 -18.6640 -18.6382 -18.6382 -18.5195 -18.5195 0.3720 0.3720 5.3148 5.3148 6.1051 6.1051 7.1423 7.1423 8.0497 8.0497 8.7927 8.7927 8.8462 8.8462 10.8029 10.8029 11.1622 11.1622 11.7647 11.7647 k = 0.0551 0.1083-0.0000 ( 3217 PWs) bands (ev): -40.2762 -40.2762 -40.2185 -40.2185 -19.2793 -19.2793 -19.1447 -19.1447 -18.8217 -18.8217 -18.6643 -18.6643 -18.6380 -18.6380 -18.5196 -18.5196 0.3866 0.3866 5.3217 5.3217 6.0153 6.0153 7.2125 7.2125 7.9786 7.9786 8.8133 8.8133 8.8984 8.8984 10.7945 10.7945 11.1634 11.1634 11.7436 11.7436 k = 0.0629 0.1238-0.0000 ( 3217 PWs) bands (ev): -40.2762 -40.2762 -40.2186 -40.2186 -19.2791 -19.2791 -19.1451 -19.1451 -18.8215 -18.8215 -18.6648 -18.6648 -18.6377 -18.6377 -18.5198 -18.5198 0.4034 0.4034 5.3290 5.3290 5.9260 5.9260 7.2787 7.2787 7.9073 7.9073 8.8372 8.8372 8.9495 8.9495 10.7850 10.7850 11.1644 11.1644 11.7209 11.7209 k = 0.0708 0.1392-0.0000 ( 3215 PWs) bands (ev): -40.2761 -40.2761 -40.2186 -40.2186 -19.2789 -19.2789 -19.1455 -19.1455 -18.8211 -18.8211 -18.6652 -18.6652 -18.6375 -18.6375 -18.5199 -18.5199 0.4221 0.4221 5.3365 5.3365 5.8374 5.8374 7.3406 7.3406 7.8366 7.8366 8.8646 8.8646 8.9995 8.9995 10.7745 10.7745 11.1653 11.1653 11.6970 11.6970 k = 0.0787 0.1547-0.0000 ( 3223 PWs) bands (ev): -40.2760 -40.2760 -40.2187 -40.2187 -19.2787 -19.2787 -19.1459 -19.1459 -18.8208 -18.8208 -18.6657 -18.6657 -18.6373 -18.6373 -18.5201 -18.5201 0.4429 0.4429 5.3438 5.3438 5.7497 5.7497 7.3978 7.3978 7.7668 7.7668 8.8956 8.8956 9.0482 9.0482 10.7631 10.7631 11.1660 11.1660 11.6724 11.6724 k = 0.0865 0.1702-0.0000 ( 3221 PWs) bands (ev): -40.2760 -40.2760 -40.2188 -40.2188 -19.2784 -19.2784 -19.1464 -19.1464 -18.8204 -18.8204 -18.6663 -18.6663 -18.6370 -18.6370 -18.5203 -18.5203 0.4655 0.4655 5.3504 5.3504 5.6633 5.6633 7.4502 7.4502 7.6988 7.6988 8.9299 8.9299 9.0960 9.0960 10.7509 10.7509 11.1663 11.1663 11.6477 11.6477 k = 0.0944 0.1857-0.0000 ( 3225 PWs) bands (ev): -40.2759 -40.2759 -40.2188 -40.2188 -19.2781 -19.2781 -19.1469 -19.1469 -18.8200 -18.8200 -18.6669 -18.6669 -18.6367 -18.6367 -18.5205 -18.5205 0.4899 0.4899 5.3559 5.3559 5.5782 5.5782 7.4976 7.4976 7.6331 7.6331 8.9674 8.9674 9.1428 9.1428 10.7380 10.7380 11.1660 11.1660 11.6233 11.6233 k = 0.1022 0.2011-0.0000 ( 3221 PWs) bands (ev): -40.2758 -40.2758 -40.2189 -40.2189 -19.2777 -19.2777 -19.1475 -19.1475 -18.8195 -18.8195 -18.6675 -18.6675 -18.6364 -18.6364 -18.5207 -18.5207 0.5159 0.5159 5.3599 5.3599 5.4948 5.4948 7.5399 7.5399 7.5706 7.5706 9.0078 9.0078 9.1888 9.1888 10.7244 10.7244 11.1649 11.1649 11.5998 11.5998 k = 0.1101 0.2166-0.0000 ( 3227 PWs) bands (ev): -40.2757 -40.2757 -40.2190 -40.2190 -19.2774 -19.2774 -19.1481 -19.1481 -18.8191 -18.8191 -18.6682 -18.6682 -18.6361 -18.6361 -18.5210 -18.5210 0.5434 0.5434 5.3616 5.3616 5.4134 5.4134 7.5116 7.5116 7.5778 7.5778 9.0504 9.0504 9.2340 9.2340 10.7104 10.7104 11.1630 11.1630 11.5776 11.5776 k = 0.1180 0.2321-0.0000 ( 3227 PWs) bands (ev): -40.2756 -40.2756 -40.2191 -40.2191 -19.2770 -19.2770 -19.1487 -19.1487 -18.8186 -18.8186 -18.6689 -18.6689 -18.6358 -18.6358 -18.5212 -18.5212 0.5723 0.5723 5.3335 5.3335 5.3611 5.3611 7.4575 7.4575 7.6108 7.6108 9.0950 9.0950 9.2786 9.2786 10.6960 10.6960 11.1599 11.1599 11.5570 11.5570 k = 0.1258 0.2475-0.0000 ( 3221 PWs) bands (ev): -40.2755 -40.2755 -40.2192 -40.2192 -19.2766 -19.2766 -19.1493 -19.1493 -18.8180 -18.8180 -18.6695 -18.6695 -18.6355 -18.6355 -18.5215 -18.5215 0.6025 0.6025 5.2567 5.2567 5.3565 5.3565 7.4088 7.4088 7.6395 7.6395 9.1408 9.1408 9.3228 9.3228 10.6813 10.6813 11.1554 11.1554 11.5385 11.5385 k = 0.1337 0.2630-0.0000 ( 3219 PWs) bands (ev): -40.2754 -40.2754 -40.2193 -40.2193 -19.2762 -19.2762 -19.1500 -19.1500 -18.8174 -18.8174 -18.6703 -18.6703 -18.6351 -18.6351 -18.5218 -18.5218 0.6337 0.6337 5.1822 5.1822 5.3483 5.3483 7.3663 7.3663 7.6642 7.6642 9.1869 9.1869 9.3665 9.3665 10.6663 10.6663 11.1496 11.1496 11.5224 11.5224 k = 0.1416 0.2785-0.0000 ( 3223 PWs) bands (ev): -40.2753 -40.2753 -40.2194 -40.2194 -19.2758 -19.2758 -19.1507 -19.1507 -18.8168 -18.8168 -18.6710 -18.6710 -18.6348 -18.6348 -18.5221 -18.5221 0.6658 0.6658 5.1106 5.1106 5.3355 5.3355 7.3305 7.3305 7.6853 7.6853 9.2326 9.2326 9.4099 9.4099 10.6510 10.6510 11.1422 11.1422 11.5088 11.5088 k = 0.1494 0.2940-0.0000 ( 3219 PWs) bands (ev): -40.2752 -40.2752 -40.2195 -40.2195 -19.2753 -19.2753 -19.1514 -19.1514 -18.8162 -18.8162 -18.6718 -18.6718 -18.6344 -18.6344 -18.5224 -18.5224 0.6986 0.6986 5.0420 5.0420 5.3177 5.3177 7.3022 7.3022 7.7031 7.7031 9.2774 9.2774 9.4532 9.4532 10.6355 10.6355 11.1333 11.1333 11.4979 11.4979 k = 0.1573 0.3094-0.0000 ( 3219 PWs) bands (ev): -40.2750 -40.2750 -40.2196 -40.2196 -19.2748 -19.2748 -19.1522 -19.1522 -18.8155 -18.8155 -18.6726 -18.6726 -18.6341 -18.6341 -18.5227 -18.5227 0.7318 0.7318 4.9768 4.9768 5.2947 5.2947 7.2818 7.2818 7.7181 7.7181 9.3203 9.3203 9.4962 9.4962 10.6196 10.6196 11.1230 11.1230 11.4896 11.4896 k = 0.1652 0.3249-0.0000 ( 3215 PWs) bands (ev): -40.2749 -40.2749 -40.2197 -40.2197 -19.2743 -19.2743 -19.1529 -19.1529 -18.8148 -18.8148 -18.6733 -18.6733 -18.6337 -18.6337 -18.5231 -18.5231 0.7653 0.7653 4.9152 4.9152 5.2662 5.2662 7.2694 7.2694 7.7305 7.7305 9.3607 9.3607 9.5392 9.5392 10.6032 10.6032 11.1116 11.1116 11.4839 11.4839 k = 0.1730 0.3404-0.0000 ( 3225 PWs) bands (ev): -40.2748 -40.2748 -40.2199 -40.2199 -19.2738 -19.2738 -19.1537 -19.1537 -18.8142 -18.8142 -18.6741 -18.6741 -18.6334 -18.6334 -18.5234 -18.5234 0.7987 0.7987 4.8575 4.8575 5.2322 5.2322 7.2652 7.2652 7.7409 7.7409 9.3979 9.3979 9.5821 9.5821 10.5863 10.5863 11.0993 11.0993 11.4805 11.4805 k = 0.1809 0.3559-0.0000 ( 3227 PWs) bands (ev): -40.2747 -40.2747 -40.2200 -40.2200 -19.2732 -19.2732 -19.1545 -19.1545 -18.8135 -18.8135 -18.6749 -18.6749 -18.6330 -18.6330 -18.5238 -18.5238 0.8319 0.8319 4.8040 4.8040 5.1930 5.1930 7.2691 7.2691 7.7494 7.7494 9.4316 9.4316 9.6252 9.6252 10.5685 10.5685 11.0863 11.0863 11.4791 11.4791 k = 0.1888 0.3713-0.0000 ( 3225 PWs) bands (ev): -40.2745 -40.2745 -40.2201 -40.2201 -19.2727 -19.2727 -19.1553 -19.1553 -18.8127 -18.8127 -18.6758 -18.6758 -18.6327 -18.6327 -18.5242 -18.5242 0.8646 0.8646 4.7550 4.7550 5.1487 5.1487 7.2809 7.2809 7.7565 7.7565 9.4612 9.4612 9.6683 9.6683 10.5497 10.5497 11.0731 11.0731 11.4796 11.4796 k = 0.1966 0.3868-0.0000 ( 3229 PWs) bands (ev): -40.2744 -40.2744 -40.2203 -40.2203 -19.2721 -19.2721 -19.1561 -19.1561 -18.8119 -18.8119 -18.6766 -18.6766 -18.6323 -18.6323 -18.5246 -18.5246 0.8964 0.8964 4.7108 4.7108 5.1000 5.1000 7.3000 7.3000 7.7623 7.7623 9.4865 9.4865 9.7116 9.7116 10.5297 10.5297 11.0599 11.0599 11.4815 11.4815 k = 0.2045 0.4023-0.0000 ( 3229 PWs) bands (ev): -40.2743 -40.2743 -40.2204 -40.2204 -19.2715 -19.2715 -19.1569 -19.1569 -18.8112 -18.8112 -18.6774 -18.6774 -18.6320 -18.6320 -18.5250 -18.5250 0.9272 0.9272 4.6718 4.6718 5.0471 5.0471 7.3260 7.3260 7.7671 7.7671 9.5073 9.5073 9.7550 9.7550 10.5084 10.5084 11.0469 11.0469 11.4846 11.4846 k = 0.2124 0.4177-0.0000 ( 3229 PWs) bands (ev): -40.2741 -40.2741 -40.2205 -40.2205 -19.2709 -19.2709 -19.1576 -19.1576 -18.8104 -18.8104 -18.6782 -18.6782 -18.6316 -18.6316 -18.5254 -18.5254 0.9566 0.9566 4.6381 4.6381 4.9908 4.9908 7.3583 7.3583 7.7712 7.7712 9.5236 9.5236 9.7987 9.7987 10.4856 10.4856 11.0344 11.0344 11.4887 11.4887 k = 0.2202 0.4332-0.0000 ( 3233 PWs) bands (ev): -40.2740 -40.2740 -40.2207 -40.2207 -19.2703 -19.2703 -19.1584 -19.1584 -18.8096 -18.8096 -18.6790 -18.6790 -18.6313 -18.6313 -18.5258 -18.5258 0.9843 0.9843 4.6101 4.6101 4.9316 4.9316 7.3962 7.3962 7.7746 7.7746 9.5354 9.5354 9.8427 9.8427 10.4611 10.4611 11.0226 11.0226 11.4934 11.4934 k = 0.2281 0.4487-0.0000 ( 3239 PWs) bands (ev): -40.2738 -40.2738 -40.2208 -40.2208 -19.2697 -19.2697 -19.1592 -19.1592 -18.8089 -18.8089 -18.6798 -18.6798 -18.6309 -18.6309 -18.5262 -18.5262 1.0101 1.0101 4.5881 4.5881 4.8700 4.8700 7.4394 7.4394 7.7777 7.7777 9.5429 9.5429 9.8869 9.8869 10.4350 10.4350 11.0117 11.0117 11.4985 11.4985 k = 0.2360 0.4642-0.0000 ( 3245 PWs) bands (ev): -40.2737 -40.2737 -40.2209 -40.2209 -19.2690 -19.2690 -19.1600 -19.1600 -18.8081 -18.8081 -18.6806 -18.6806 -18.6306 -18.6306 -18.5266 -18.5266 1.0338 1.0338 4.5723 4.5723 4.8066 4.8066 7.4871 7.4871 7.7806 7.7806 9.5461 9.5461 9.9316 9.9316 10.4073 10.4073 11.0017 11.0017 11.5026 11.5028 k = 0.2438 0.4796-0.0000 ( 3249 PWs) bands (ev): -40.2736 -40.2736 -40.2211 -40.2211 -19.2684 -19.2684 -19.1607 -19.1607 -18.8072 -18.8072 -18.6814 -18.6814 -18.6302 -18.6302 -18.5271 -18.5271 1.0550 1.0550 4.5629 4.5629 4.7419 4.7419 7.5387 7.5387 7.7834 7.7834 9.5453 9.5453 9.9767 9.9767 10.3780 10.3780 10.9928 10.9928 11.4914 11.4976 k = 0.2517 0.4951-0.0000 ( 3251 PWs) bands (ev): -40.2734 -40.2734 -40.2212 -40.2212 -19.2677 -19.2677 -19.1615 -19.1615 -18.8064 -18.8064 -18.6821 -18.6821 -18.6299 -18.6299 -18.5275 -18.5275 1.0738 1.0738 4.5601 4.5601 4.6763 4.6763 7.5937 7.5937 7.7861 7.7861 9.5408 9.5408 10.0222 10.0222 10.3471 10.3471 10.9851 10.9851 11.4664 11.4752 k = 0.2595 0.5106-0.0000 ( 3253 PWs) bands (ev): -40.2733 -40.2733 -40.2214 -40.2214 -19.2671 -19.2671 -19.1622 -19.1622 -18.8056 -18.8056 -18.6829 -18.6829 -18.6295 -18.6295 -18.5280 -18.5280 1.0898 1.0898 4.5641 4.5641 4.6102 4.6102 7.6515 7.6515 7.7889 7.7889 9.5327 9.5327 10.0683 10.0683 10.3148 10.3148 10.9786 10.9786 11.4433 11.4444 k = 0.2674 0.5260-0.0000 ( 3253 PWs) bands (ev): -40.2731 -40.2731 -40.2215 -40.2215 -19.2664 -19.2664 -19.1629 -19.1629 -18.8048 -18.8048 -18.6836 -18.6836 -18.6292 -18.6292 -18.5284 -18.5284 1.1030 1.1030 4.5438 4.5438 4.5750 4.5750 7.7117 7.7117 7.7919 7.7919 9.5213 9.5213 10.1149 10.1149 10.2811 10.2811 10.9734 10.9734 11.4219 11.4220 k = 0.2753 0.5415-0.0000 ( 3249 PWs) bands (ev): -40.2730 -40.2730 -40.2217 -40.2217 -19.2657 -19.2657 -19.1636 -19.1636 -18.8039 -18.8039 -18.6843 -18.6843 -18.6288 -18.6288 -18.5288 -18.5288 1.1134 1.1134 4.4779 4.4779 4.5926 4.5926 7.7736 7.7736 7.7951 7.7951 9.5068 9.5068 10.1621 10.1621 10.2460 10.2460 10.9695 10.9695 11.4022 11.4022 k = 0.2831 0.5570-0.0000 ( 3253 PWs) bands (ev): -40.2729 -40.2729 -40.2218 -40.2218 -19.2650 -19.2650 -19.1643 -19.1643 -18.8031 -18.8031 -18.6850 -18.6850 -18.6285 -18.6285 -18.5293 -18.5293 1.1210 1.1210 4.4125 4.4125 4.6170 4.6170 7.7983 7.7983 7.8373 7.8373 9.4894 9.4894 10.2097 10.2097 10.2101 10.2101 10.9670 10.9670 11.3843 11.3843 k = 0.2910 0.5725-0.0000 ( 3249 PWs) bands (ev): -40.2727 -40.2727 -40.2219 -40.2219 -19.2643 -19.2643 -19.1649 -19.1649 -18.8023 -18.8023 -18.6857 -18.6857 -18.6282 -18.6282 -18.5297 -18.5297 1.1258 1.1258 4.3478 4.3478 4.6481 4.6481 7.8019 7.8019 7.9016 7.9016 9.4692 9.4692 10.1725 10.1725 10.2586 10.2586 10.9658 10.9658 11.3684 11.3684 k = 0.2989 0.5879-0.0000 ( 3253 PWs) bands (ev): -40.2726 -40.2726 -40.2221 -40.2221 -19.2636 -19.2636 -19.1656 -19.1656 -18.8015 -18.8015 -18.6864 -18.6864 -18.6278 -18.6278 -18.5302 -18.5302 1.1279 1.1279 4.2841 4.2841 4.6858 4.6858 7.8056 7.8056 7.9663 7.9663 9.4464 9.4464 10.1341 10.1341 10.3079 10.3079 10.9659 10.9659 11.3545 11.3545 k = 0.3067 0.6034-0.0000 ( 3255 PWs) bands (ev): -40.2725 -40.2725 -40.2222 -40.2222 -19.2630 -19.2630 -19.1662 -19.1662 -18.8007 -18.8007 -18.6871 -18.6871 -18.6275 -18.6275 -18.5306 -18.5306 1.1274 1.1274 4.2216 4.2216 4.7299 4.7299 7.8094 7.8094 8.0312 8.0312 9.4213 9.4213 10.0949 10.0949 10.3580 10.3580 10.9674 10.9674 11.3426 11.3426 k = 0.3146 0.6189-0.0000 ( 3243 PWs) bands (ev): -40.2723 -40.2723 -40.2223 -40.2223 -19.2622 -19.2622 -19.1668 -19.1668 -18.7999 -18.7999 -18.6877 -18.6877 -18.6271 -18.6271 -18.5310 -18.5310 1.1246 1.1246 4.1606 4.1606 4.7802 4.7802 7.8133 7.8133 8.0957 8.0957 9.3939 9.3939 10.0549 10.0549 10.4087 10.4087 10.9702 10.9702 11.3331 11.3331 k = 0.3146 0.6189-0.0000 ( 3243 PWs) bands (ev): -40.2723 -40.2723 -40.2223 -40.2223 -19.2622 -19.2622 -19.1668 -19.1668 -18.7999 -18.7999 -18.6877 -18.6877 -18.6271 -18.6271 -18.5310 -18.5310 1.1246 1.1246 4.1606 4.1606 4.7802 4.7802 7.8133 7.8133 8.0957 8.0957 9.3939 9.3939 10.0549 10.0549 10.4087 10.4087 10.9702 10.9702 11.3331 11.3331 k = 0.2971 0.6189-0.0000 ( 3246 PWs) bands (ev): -40.2724 -40.2724 -40.2223 -40.2223 -19.2626 -19.2626 -19.1665 -19.1665 -18.8003 -18.8003 -18.6874 -18.6874 -18.6273 -18.6273 -18.5308 -18.5308 1.1257 1.1257 4.1856 4.1856 4.7624 4.7624 7.7974 7.7974 8.0773 8.0773 9.4065 9.4065 10.0732 10.0732 10.3867 10.3867 10.9694 10.9694 11.3351 11.3351 k = 0.2796 0.6189-0.0000 ( 3241 PWs) bands (ev): -40.2725 -40.2725 -40.2222 -40.2222 -19.2629 -19.2629 -19.1661 -19.1661 -18.8007 -18.8007 -18.6870 -18.6870 -18.6275 -18.6275 -18.5305 -18.5305 1.1255 1.1255 4.2035 4.2035 4.7592 4.7592 7.7538 7.7538 8.0805 8.0805 9.4184 9.4184 10.0912 10.0912 10.3673 10.3673 10.9701 10.9701 11.3336 11.3336 k = 0.2622 0.6189-0.0000 ( 3251 PWs) bands (ev): -40.2725 -40.2725 -40.2221 -40.2221 -19.2633 -19.2633 -19.1658 -19.1658 -18.8012 -18.8012 -18.6866 -18.6866 -18.6277 -18.6277 -18.5303 -18.5303 1.1242 1.1242 4.2124 4.2124 4.7727 4.7727 7.6896 7.6896 8.0980 8.0980 9.4297 9.4297 10.1090 10.1090 10.3507 10.3507 10.9723 10.9723 11.3292 11.3292 k = 0.2447 0.6189-0.0000 ( 3250 PWs) bands (ev): -40.2726 -40.2726 -40.2220 -40.2220 -19.2638 -19.2638 -19.1654 -19.1654 -18.8017 -18.8017 -18.6861 -18.6861 -18.6280 -18.6280 -18.5301 -18.5301 1.1220 1.1220 4.2118 4.2118 4.8029 4.8029 7.6124 7.6124 8.1225 8.1225 9.4405 9.4405 10.1267 10.1267 10.3367 10.3367 10.9760 10.9760 11.3224 11.3224 k = 0.2272 0.6189-0.0000 ( 3244 PWs) bands (ev): -40.2727 -40.2727 -40.2220 -40.2220 -19.2641 -19.2641 -19.1650 -19.1650 -18.8022 -18.8022 -18.6856 -18.6856 -18.6282 -18.6282 -18.5298 -18.5298 1.1190 1.1190 4.2031 4.2031 4.8482 4.8482 7.5269 7.5269 8.1493 8.1493 9.4509 9.4509 10.1444 10.1444 10.3251 10.3251 10.9812 10.9812 11.3140 11.3140 k = 0.2097 0.6189-0.0000 ( 3241 PWs) bands (ev): -40.2728 -40.2728 -40.2219 -40.2219 -19.2645 -19.2645 -19.1646 -19.1646 -18.8028 -18.8028 -18.6850 -18.6850 -18.6285 -18.6285 -18.5295 -18.5295 1.1156 1.1156 4.1886 4.1886 4.9061 4.9061 7.4354 7.4354 8.1764 8.1764 9.4610 9.4610 10.1622 10.1622 10.3156 10.3156 10.9879 10.9879 11.3046 11.3046 k = 0.1923 0.6189-0.0000 ( 3241 PWs) bands (ev): -40.2729 -40.2729 -40.2218 -40.2218 -19.2650 -19.2650 -19.1642 -19.1642 -18.8033 -18.8033 -18.6845 -18.6845 -18.6288 -18.6288 -18.5292 -18.5292 1.1118 1.1118 4.1705 4.1705 4.9740 4.9740 7.3395 7.3395 8.2025 8.2025 9.4708 9.4708 10.1802 10.1802 10.3077 10.3077 10.9962 10.9962 11.2950 11.2950 k = 0.1748 0.6189-0.0000 ( 3241 PWs) bands (ev): -40.2730 -40.2730 -40.2217 -40.2217 -19.2654 -19.2654 -19.1638 -19.1638 -18.8038 -18.8038 -18.6840 -18.6840 -18.6291 -18.6291 -18.5289 -18.5289 1.1078 1.1078 4.1507 4.1507 5.0497 5.0497 7.2401 7.2401 8.2269 8.2269 9.4803 9.4803 10.1984 10.1984 10.3011 10.3011 11.0059 11.0059 11.2856 11.2856 k = 0.1573 0.6189-0.0000 ( 3244 PWs) bands (ev): -40.2731 -40.2731 -40.2216 -40.2216 -19.2657 -19.2657 -19.1635 -19.1635 -18.8043 -18.8043 -18.6834 -18.6834 -18.6294 -18.6294 -18.5287 -18.5287 1.1037 1.1037 4.1305 4.1305 5.1315 5.1315 7.1382 7.1382 8.2493 8.2493 9.4895 9.4895 10.2168 10.2168 10.2954 10.2954 11.0170 11.0170 11.2770 11.2770 k = 0.1398 0.6189-0.0000 ( 3241 PWs) bands (ev): -40.2731 -40.2731 -40.2215 -40.2215 -19.2661 -19.2661 -19.1631 -19.1631 -18.8048 -18.8048 -18.6829 -18.6829 -18.6296 -18.6296 -18.5284 -18.5284 1.0997 1.0997 4.1109 4.1109 5.2180 5.2180 7.0346 7.0346 8.2694 8.2694 9.4984 9.4984 10.2352 10.2352 10.2905 10.2905 11.0295 11.0295 11.2697 11.2697 k = 0.1223 0.6189-0.0000 ( 3243 PWs) bands (ev): -40.2732 -40.2732 -40.2215 -40.2215 -19.2664 -19.2664 -19.1628 -19.1628 -18.8052 -18.8052 -18.6825 -18.6825 -18.6299 -18.6299 -18.5282 -18.5282 1.0960 1.0960 4.0927 4.0927 5.3080 5.3080 6.9300 6.9300 8.2870 8.2870 9.5069 9.5069 10.2532 10.2532 10.2861 10.2861 11.0434 11.0434 11.2640 11.2640 k = 0.1049 0.6189-0.0000 ( 3243 PWs) bands (ev): -40.2733 -40.2733 -40.2214 -40.2214 -19.2667 -19.2667 -19.1625 -19.1625 -18.8056 -18.8056 -18.6820 -18.6820 -18.6301 -18.6301 -18.5280 -18.5280 1.0925 1.0925 4.0762 4.0762 5.4002 5.4002 6.8253 6.8253 8.3022 8.3022 9.5147 9.5147 10.2696 10.2696 10.2830 10.2830 11.0587 11.0587 11.2599 11.2602 k = 0.0874 0.6189-0.0000 ( 3240 PWs) bands (ev): -40.2733 -40.2733 -40.2213 -40.2213 -19.2670 -19.2670 -19.1622 -19.1622 -18.8060 -18.8060 -18.6816 -18.6816 -18.6304 -18.6304 -18.5278 -18.5278 1.0894 1.0894 4.0618 4.0618 5.4934 5.4934 6.7218 6.7218 8.3150 8.3150 9.5218 9.5218 10.2760 10.2760 10.2889 10.2889 11.0751 11.0751 11.2575 11.2639 k = 0.0699 0.6189-0.0000 ( 3240 PWs) bands (ev): -40.2734 -40.2734 -40.2213 -40.2213 -19.2672 -19.2672 -19.1620 -19.1620 -18.8063 -18.8063 -18.6813 -18.6813 -18.6305 -18.6305 -18.5277 -18.5277 1.0867 1.0867 4.0498 4.0498 5.5856 5.5856 6.6212 6.6212 8.3253 8.3253 9.5279 9.5279 10.2737 10.2737 10.3023 10.3023 11.0927 11.0927 11.2575 11.2624 k = 0.0524 0.6189-0.0000 ( 3242 PWs) bands (ev): -40.2734 -40.2734 -40.2212 -40.2212 -19.2674 -19.2674 -19.1618 -19.1618 -18.8065 -18.8065 -18.6810 -18.6810 -18.6307 -18.6307 -18.5275 -18.5275 1.0846 1.0846 4.0403 4.0403 5.6738 5.6738 6.5266 6.5266 8.3333 8.3333 9.5330 9.5330 10.2712 10.2712 10.3140 10.3140 11.1111 11.1111 11.2526 11.2532 k = 0.0350 0.6189-0.0000 ( 3240 PWs) bands (ev): -40.2734 -40.2734 -40.2212 -40.2212 -19.2675 -19.2675 -19.1617 -19.1617 -18.8067 -18.8067 -18.6808 -18.6808 -18.6308 -18.6308 -18.5274 -18.5274 1.0831 1.0831 4.0334 4.0334 5.7524 5.7524 6.4434 6.4434 8.3390 8.3390 9.5367 9.5367 10.2692 10.2692 10.3229 10.3229 11.1300 11.1300 11.2316 11.2317 k = 0.0175 0.6189-0.0000 ( 3242 PWs) bands (ev): -40.2734 -40.2734 -40.2212 -40.2212 -19.2676 -19.2676 -19.1616 -19.1616 -18.8068 -18.8068 -18.6807 -18.6807 -18.6309 -18.6309 -18.5274 -18.5274 1.0822 1.0822 4.0293 4.0293 5.8108 5.8108 6.3822 6.3822 8.3423 8.3423 9.5389 9.5389 10.2680 10.2680 10.3285 10.3285 11.1476 11.1476 11.2117 11.2117 k = 0.0000 0.6189-0.0000 ( 3240 PWs) bands (ev): -40.2735 -40.2735 -40.2212 -40.2212 -19.2676 -19.2676 -19.1616 -19.1616 -18.8068 -18.8068 -18.6807 -18.6807 -18.6309 -18.6309 -18.5274 -18.5274 1.0818 1.0818 4.0279 4.0279 5.8334 5.8334 6.3587 6.3587 8.3435 8.3435 9.5397 9.5397 10.2675 10.2675 10.3303 10.3303 11.1568 11.1568 11.2017 11.2017 k = 0.0000 0.6189-0.0000 ( 3240 PWs) bands (ev): -40.2735 -40.2735 -40.2212 -40.2212 -19.2676 -19.2676 -19.1616 -19.1616 -18.8068 -18.8068 -18.6807 -18.6807 -18.6309 -18.6309 -18.5274 -18.5274 1.0818 1.0818 4.0279 4.0279 5.8334 5.8334 6.3587 6.3587 8.3435 8.3435 9.5397 9.5397 10.2675 10.2675 10.3303 10.3303 11.1568 11.1568 11.2017 11.2017 k = 0.0000 0.6189 0.0174 ( 3242 PWs) bands (ev): -40.2734 -40.2734 -40.2212 -40.2212 -19.2676 -19.2676 -19.1617 -19.1617 -18.8068 -18.8068 -18.6808 -18.6808 -18.6310 -18.6310 -18.5276 -18.5276 1.0832 1.0832 4.0294 4.0294 5.8345 5.8345 6.3603 6.3603 8.3443 8.3443 9.5407 9.5407 10.2683 10.2683 10.3298 10.3298 11.1440 11.1440 11.1996 11.1996 k = 0.0000 0.6189 0.0348 ( 3238 PWs) bands (ev): -40.2733 -40.2733 -40.2211 -40.2211 -19.2676 -19.2676 -19.1618 -19.1618 -18.8067 -18.8067 -18.6812 -18.6812 -18.6314 -18.6314 -18.5282 -18.5282 1.0871 1.0871 4.0338 4.0338 5.8379 5.8379 6.3649 6.3649 8.3468 8.3468 9.5437 9.5437 10.2707 10.2707 10.3283 10.3283 11.1119 11.1119 11.1931 11.1931 k = 0.0000 0.6189 0.0522 ( 3240 PWs) bands (ev): -40.2731 -40.2731 -40.2210 -40.2210 -19.2675 -19.2675 -19.1620 -19.1620 -18.8066 -18.8066 -18.6818 -18.6818 -18.6320 -18.6320 -18.5292 -18.5292 1.0936 1.0936 4.0413 4.0413 5.8435 5.8435 6.3725 6.3725 8.3509 8.3509 9.5487 9.5487 10.2745 10.2745 10.3258 10.3258 11.0674 11.0674 11.1818 11.1818 k = 0.0000 0.6189 0.0696 ( 3238 PWs) bands (ev): -40.2728 -40.2728 -40.2209 -40.2209 -19.2675 -19.2675 -19.1624 -19.1624 -18.8065 -18.8065 -18.6827 -18.6827 -18.6329 -18.6329 -18.5305 -18.5305 1.1027 1.1027 4.0517 4.0517 5.8514 5.8514 6.3832 6.3832 8.3566 8.3566 9.5556 9.5556 10.2799 10.2799 10.3221 10.3221 11.0134 11.0134 11.1656 11.1656 k = 0.0000 0.6189 0.0870 ( 3240 PWs) bands (ev): -40.2724 -40.2724 -40.2207 -40.2207 -19.2675 -19.2675 -19.1628 -19.1628 -18.8063 -18.8063 -18.6838 -18.6838 -18.6340 -18.6340 -18.5323 -18.5323 1.1145 1.1145 4.0650 4.0650 5.8615 5.8615 6.3970 6.3970 8.3639 8.3639 9.5643 9.5643 10.2867 10.2867 10.3171 10.3171 10.9507 10.9507 11.1445 11.1445 k = 0.0000 0.6189 0.1044 ( 3242 PWs) bands (ev): -40.2719 -40.2719 -40.2205 -40.2205 -19.2675 -19.2675 -19.1633 -19.1633 -18.8061 -18.8061 -18.6852 -18.6852 -18.6354 -18.6354 -18.5344 -18.5344 1.1288 1.1288 4.0813 4.0813 5.8738 5.8738 6.4137 6.4137 8.3728 8.3728 9.5747 9.5747 10.2950 10.2950 10.3107 10.3107 10.8802 10.8802 11.1180 11.1180 k = 0.0000 0.6189 0.1218 ( 3248 PWs) bands (ev): -40.2713 -40.2713 -40.2203 -40.2203 -19.2674 -19.2674 -19.1640 -19.1640 -18.8059 -18.8059 -18.6868 -18.6868 -18.6370 -18.6370 -18.5368 -18.5368 1.1458 1.1458 4.1005 4.1005 5.8884 5.8884 6.4334 6.4334 8.3830 8.3830 9.5865 9.5865 10.3014 10.3014 10.3053 10.3053 10.8027 10.8027 11.0861 11.0861 k = 0.0000 0.6189 0.1392 ( 3244 PWs) bands (ev): -40.2707 -40.2707 -40.2200 -40.2200 -19.2674 -19.2674 -19.1647 -19.1647 -18.8057 -18.8057 -18.6887 -18.6887 -18.6387 -18.6387 -18.5396 -18.5396 1.1653 1.1653 4.1225 4.1225 5.9052 5.9052 6.4560 6.4560 8.3946 8.3946 9.5997 9.5997 10.2903 10.2903 10.3157 10.3157 10.7199 10.7199 11.0489 11.0489 k = 0.0000 0.6189 0.1566 ( 3240 PWs) bands (ev): -40.2700 -40.2700 -40.2197 -40.2197 -19.2674 -19.2674 -19.1655 -19.1655 -18.8054 -18.8054 -18.6908 -18.6908 -18.6407 -18.6407 -18.5426 -18.5426 1.1874 1.1874 4.1475 4.1475 5.9241 5.9241 6.4815 6.4815 8.4076 8.4076 9.6139 9.6139 10.2734 10.2734 10.3278 10.3278 10.6344 10.6344 11.0064 11.0064 k = 0.0000 0.6189 0.1740 ( 3242 PWs) bands (ev): -40.2692 -40.2692 -40.2193 -40.2193 -19.2674 -19.2674 -19.1665 -19.1665 -18.8052 -18.8052 -18.6931 -18.6931 -18.6428 -18.6428 -18.5458 -18.5458 1.2122 1.2122 4.1752 4.1752 5.9452 5.9452 6.5098 6.5098 8.4217 8.4217 9.6288 9.6288 10.2469 10.2469 10.3409 10.3409 10.5514 10.5514 10.9589 10.9589 k = 0.0000 0.6189 0.1914 ( 3242 PWs) bands (ev): -40.2683 -40.2683 -40.2190 -40.2190 -19.2675 -19.2675 -19.1676 -19.1676 -18.8049 -18.8049 -18.6957 -18.6957 -18.6451 -18.6451 -18.5493 -18.5493 1.2395 1.2395 4.2057 4.2057 5.9685 5.9685 6.5408 6.5408 8.4368 8.4368 9.6440 9.6440 10.2028 10.2028 10.3547 10.3547 10.4797 10.4797 10.9068 10.9068 k = 0.0000 0.6189 0.2088 ( 3236 PWs) bands (ev): -40.2673 -40.2673 -40.2186 -40.2186 -19.2675 -19.2675 -19.1688 -19.1688 -18.8047 -18.8047 -18.6984 -18.6984 -18.6475 -18.6475 -18.5530 -18.5530 1.2694 1.2694 4.2390 4.2390 5.9938 5.9938 6.5746 6.5746 8.4530 8.4530 9.6588 9.6588 10.1336 10.1336 10.3690 10.3690 10.4281 10.4281 10.8509 10.8509 k = 0.0000 0.6189 0.2263 ( 3234 PWs) bands (ev): -40.2663 -40.2663 -40.2181 -40.2181 -19.2676 -19.2676 -19.1701 -19.1701 -18.8045 -18.8045 -18.7014 -18.7014 -18.6501 -18.6501 -18.5568 -18.5568 1.3019 1.3019 4.2750 4.2750 6.0213 6.0213 6.6110 6.6110 8.4699 8.4699 9.6720 9.6720 10.0405 10.0405 10.3825 10.3825 10.3977 10.3977 10.7919 10.7919 k = 0.0000 0.6189 0.2437 ( 3230 PWs) bands (ev): -40.2652 -40.2652 -40.2177 -40.2177 -19.2677 -19.2677 -19.1716 -19.1716 -18.8043 -18.8043 -18.7045 -18.7045 -18.6529 -18.6529 -18.5607 -18.5607 1.3370 1.3370 4.3136 4.3136 6.0508 6.0508 6.6500 6.6500 8.4874 8.4874 9.6811 9.6811 9.9331 9.9331 10.3780 10.3780 10.3985 10.3985 10.7311 10.7311 k = 0.0000 0.6189 0.2611 ( 3226 PWs) bands (ev): -40.2641 -40.2641 -40.2172 -40.2172 -19.2679 -19.2679 -19.1732 -19.1732 -18.8042 -18.8042 -18.7077 -18.7077 -18.6558 -18.6558 -18.5647 -18.5647 1.3747 1.3747 4.3549 4.3549 6.0824 6.0824 6.6915 6.6915 8.5054 8.5054 9.6753 9.6753 9.8279 9.8279 10.3696 10.3696 10.4092 10.4092 10.6702 10.6702 k = 0.0000 0.6189 0.2785 ( 3228 PWs) bands (ev): -40.2629 -40.2629 -40.2168 -40.2168 -19.2681 -19.2681 -19.1750 -19.1750 -18.8042 -18.8042 -18.7110 -18.7110 -18.6588 -18.6588 -18.5688 -18.5688 1.4149 1.4149 4.3987 4.3987 6.1160 6.1160 6.7353 6.7353 8.5236 8.5236 9.6146 9.6146 9.7681 9.7681 10.3664 10.3664 10.4139 10.4139 10.6135 10.6135 k = 0.0000 0.6189 0.2959 ( 3226 PWs) bands (ev): -40.2616 -40.2616 -40.2163 -40.2163 -19.2684 -19.2684 -19.1770 -19.1770 -18.8042 -18.8042 -18.7144 -18.7144 -18.6619 -18.6619 -18.5729 -18.5729 1.4577 1.4577 4.4449 4.4449 6.1515 6.1515 6.7815 6.7815 8.5418 8.5418 9.4961 9.4961 9.7585 9.7585 10.3673 10.3673 10.4034 10.4034 10.5699 10.5699 k = 0.0000 0.6189 0.3133 ( 3222 PWs) bands (ev): -40.2603 -40.2603 -40.2158 -40.2158 -19.2688 -19.2688 -19.1791 -19.1791 -18.8044 -18.8044 -18.7178 -18.7178 -18.6651 -18.6651 -18.5769 -18.5769 1.5030 1.5030 4.4936 4.4936 6.1890 6.1890 6.8300 6.8300 8.5600 8.5600 9.3591 9.3591 9.7609 9.7609 10.3648 10.3648 10.3747 10.3747 10.5496 10.5496 k = 0.0000 0.6189 0.3307 ( 3222 PWs) bands (ev): -40.2589 -40.2589 -40.2153 -40.2153 -19.2692 -19.2692 -19.1814 -19.1814 -18.8046 -18.8046 -18.7213 -18.7213 -18.6684 -18.6684 -18.5809 -18.5809 1.5509 1.5509 4.5447 4.5447 6.2283 6.2283 6.8805 6.8805 8.5777 8.5777 9.2150 9.2150 9.7645 9.7645 10.3094 10.3094 10.3803 10.3803 10.5487 10.5487 k = 0.0000 0.6189 0.3481 ( 3218 PWs) bands (ev): -40.2575 -40.2575 -40.2147 -40.2147 -19.2697 -19.2697 -19.1838 -19.1838 -18.8050 -18.8050 -18.7247 -18.7247 -18.6717 -18.6717 -18.5848 -18.5848 1.6013 1.6013 4.5980 4.5980 6.2694 6.2694 6.9331 6.9331 8.5947 8.5947 9.0670 9.0670 9.7667 9.7667 10.2409 10.2409 10.3905 10.3905 10.5569 10.5569 k = 0.0000 0.6189 0.3655 ( 3218 PWs) bands (ev): -40.2560 -40.2560 -40.2142 -40.2142 -19.2703 -19.2703 -19.1864 -19.1864 -18.8056 -18.8056 -18.7281 -18.7281 -18.6751 -18.6751 -18.5886 -18.5886 1.6542 1.6542 4.6536 4.6536 6.3123 6.3123 6.9876 6.9876 8.6108 8.6108 8.9163 8.9163 9.7669 9.7669 10.1667 10.1667 10.4030 10.4030 10.5684 10.5684 k = 0.0000 0.6189 0.3829 ( 3216 PWs) bands (ev): -40.2545 -40.2545 -40.2137 -40.2137 -19.2709 -19.2709 -19.1892 -19.1892 -18.8063 -18.8063 -18.7315 -18.7315 -18.6784 -18.6784 -18.5923 -18.5923 1.7097 1.7097 4.7112 4.7112 6.3569 6.3569 7.0440 7.0440 8.6257 8.6257 8.7638 8.7638 9.7647 9.7647 10.0894 10.0894 10.4174 10.4174 10.5807 10.5807 k = 0.0000 0.6189 0.4003 ( 3214 PWs) bands (ev): -40.2530 -40.2530 -40.2132 -40.2132 -19.2717 -19.2717 -19.1922 -19.1922 -18.8071 -18.8071 -18.7348 -18.7348 -18.6816 -18.6816 -18.5959 -18.5959 1.7677 1.7677 4.7709 4.7709 6.4031 6.4031 7.1020 7.1020 8.6101 8.6101 8.6393 8.6393 9.7602 9.7602 10.0101 10.0101 10.4329 10.4329 10.5926 10.5926 k = 0.0000 0.6189 0.4177 ( 3216 PWs) bands (ev): -40.2514 -40.2514 -40.2127 -40.2127 -19.2725 -19.2725 -19.1953 -19.1953 -18.8082 -18.8082 -18.7381 -18.7381 -18.6847 -18.6847 -18.5994 -18.5994 1.8282 1.8282 4.8325 4.8325 6.4508 6.4508 7.1616 7.1616 8.4559 8.4559 8.6509 8.6509 9.7534 9.7534 9.9296 9.9296 10.4489 10.4489 10.6034 10.6034 k = 0.0000 0.6189 0.4351 ( 3226 PWs) bands (ev): -40.2499 -40.2499 -40.2122 -40.2122 -19.2734 -19.2734 -19.1987 -19.1987 -18.8093 -18.8093 -18.7414 -18.7414 -18.6877 -18.6877 -18.6029 -18.6029 1.8911 1.8911 4.8958 4.8958 6.4999 6.4999 7.2226 7.2226 8.3014 8.3014 8.6606 8.6606 9.7446 9.7446 9.8483 9.8483 10.4650 10.4650 10.6126 10.6126 k = 0.0000 0.6189 0.4525 ( 3224 PWs) bands (ev): -40.2483 -40.2483 -40.2118 -40.2118 -19.2744 -19.2744 -19.2021 -19.2021 -18.8106 -18.8106 -18.7446 -18.7446 -18.6904 -18.6904 -18.6061 -18.6061 1.9566 1.9566 4.9608 4.9608 6.5503 6.5503 7.2849 7.2849 8.1473 8.1473 8.6679 8.6679 9.7338 9.7338 9.7667 9.7667 10.4805 10.4805 10.6202 10.6202 k = 0.0000 0.6189 0.4699 ( 3220 PWs) bands (ev): -40.2466 -40.2466 -40.2113 -40.2113 -19.2755 -19.2755 -19.2057 -19.2057 -18.8119 -18.8119 -18.7479 -18.7479 -18.6927 -18.6927 -18.6093 -18.6093 2.0246 2.0246 5.0272 5.0272 6.6017 6.6017 7.3484 7.3484 7.9941 7.9941 8.6725 8.6725 9.6842 9.6842 9.7220 9.7220 10.4949 10.4949 10.6260 10.6260 k = 0.0000 0.6189 0.4873 ( 3220 PWs) bands (ev): -40.2450 -40.2450 -40.2109 -40.2109 -19.2766 -19.2766 -19.2094 -19.2094 -18.8134 -18.8134 -18.7512 -18.7512 -18.6948 -18.6948 -18.6123 -18.6123 2.0950 2.0950 5.0949 5.0949 6.6539 6.6539 7.4128 7.4128 7.8424 7.8424 8.6742 8.6742 9.6026 9.6026 9.7081 9.7081 10.5077 10.5077 10.6302 10.6302 k = 0.0000 0.6189 0.5047 ( 3220 PWs) bands (ev): -40.2434 -40.2434 -40.2105 -40.2105 -19.2778 -19.2778 -19.2133 -19.2133 -18.8148 -18.8148 -18.7546 -18.7546 -18.6965 -18.6965 -18.6153 -18.6153 2.1678 2.1678 5.1636 5.1636 6.7064 6.7064 7.4780 7.4780 7.6930 7.6930 8.6725 8.6725 9.5213 9.5213 9.6931 9.6931 10.5187 10.5187 10.6327 10.6327 k = 0.0000 0.6189 0.5221 ( 3220 PWs) bands (ev): -40.2417 -40.2417 -40.2101 -40.2101 -19.2790 -19.2790 -19.2173 -19.2173 -18.8163 -18.8163 -18.7580 -18.7580 -18.6978 -18.6978 -18.6182 -18.6182 2.2431 2.2431 5.2328 5.2328 6.7582 6.7582 7.5429 7.5429 7.5479 7.5479 8.6672 8.6672 9.4408 9.4408 9.6769 9.6769 10.5275 10.5275 10.6337 10.6337 k = 0.0000 0.6189 0.5395 ( 3220 PWs) bands (ev): -40.2401 -40.2401 -40.2098 -40.2098 -19.2803 -19.2803 -19.2213 -19.2213 -18.8178 -18.8178 -18.7615 -18.7615 -18.6987 -18.6987 -18.6210 -18.6210 2.3208 2.3208 5.3023 5.3023 6.8075 6.8075 7.4074 7.4074 7.6097 7.6097 8.6579 8.6579 9.3616 9.3616 9.6596 9.6596 10.5341 10.5341 10.6333 10.6333 k = 0.0000 0.6189 0.5569 ( 3224 PWs) bands (ev): -40.2385 -40.2385 -40.2095 -40.2095 -19.2816 -19.2816 -19.2255 -19.2255 -18.8192 -18.8192 -18.7651 -18.7651 -18.6993 -18.6993 -18.6238 -18.6238 2.4010 2.4010 5.3712 5.3712 6.8492 6.8492 7.2793 7.2793 7.6755 7.6755 8.6442 8.6442 9.2842 9.2842 9.6414 9.6414 10.5384 10.5384 10.6314 10.6314 k = 0.0000 0.6189 0.5743 ( 3224 PWs) bands (ev): -40.2368 -40.2368 -40.2092 -40.2092 -19.2829 -19.2829 -19.2297 -19.2297 -18.8205 -18.8205 -18.7687 -18.7687 -18.6996 -18.6996 -18.6265 -18.6265 2.4835 2.4835 5.4387 5.4387 6.8689 6.8689 7.1782 7.1782 7.7408 7.7408 8.6257 8.6257 9.2093 9.2093 9.6223 9.6223 10.5405 10.5405 10.6283 10.6283 k = 0.0000 0.6189 0.5917 ( 3224 PWs) bands (ev): -40.2352 -40.2352 -40.2090 -40.2090 -19.2842 -19.2842 -19.2339 -19.2339 -18.8218 -18.8218 -18.7723 -18.7723 -18.6995 -18.6995 -18.6292 -18.6292 2.5683 2.5683 5.5033 5.5033 6.8378 6.8378 7.1343 7.1343 7.8050 7.8050 8.6021 8.6021 9.1374 9.1374 9.6022 9.6022 10.5406 10.5406 10.6239 10.6239 k = 0.0000 0.6189 0.6091 ( 3222 PWs) bands (ev): -40.2336 -40.2336 -40.2088 -40.2088 -19.2855 -19.2855 -19.2381 -19.2381 -18.8229 -18.8229 -18.7758 -18.7758 -18.6991 -18.6991 -18.6318 -18.6318 2.6556 2.6556 5.5628 5.5628 6.7561 6.7561 7.1498 7.1498 7.8671 7.8671 8.5735 8.5735 9.0695 9.0695 9.5813 9.5813 10.5388 10.5388 10.6182 10.6182 k = 0.0000 0.6189 0.6265 ( 3226 PWs) bands (ev): -40.2321 -40.2321 -40.2087 -40.2087 -19.2868 -19.2868 -19.2423 -19.2423 -18.8239 -18.8239 -18.7794 -18.7794 -18.6984 -18.6984 -18.6344 -18.6344 2.7452 2.7452 5.6135 5.6135 6.6587 6.6587 7.1929 7.1929 7.9259 7.9259 8.5401 8.5401 9.0061 9.0061 9.5594 9.5594 10.5354 10.5354 10.6113 10.6113 k = 0.0000 0.6189 0.6439 ( 3230 PWs) bands (ev): -40.2305 -40.2305 -40.2086 -40.2086 -19.2881 -19.2881 -19.2465 -19.2465 -18.8247 -18.8247 -18.7829 -18.7829 -18.6975 -18.6975 -18.6370 -18.6370 2.8371 2.8371 5.6500 5.6500 6.5683 6.5683 7.2467 7.2467 7.9791 7.9791 8.5036 8.5036 8.9479 8.9479 9.5366 9.5366 10.5306 10.5306 10.6033 10.6033 k = 0.0000 0.6189 0.6613 ( 3232 PWs) bands (ev): -40.2290 -40.2290 -40.2085 -40.2085 -19.2892 -19.2892 -19.2506 -19.2506 -18.8254 -18.8254 -18.7863 -18.7863 -18.6965 -18.6965 -18.6396 -18.6396 2.9313 2.9313 5.6645 5.6645 6.4982 6.4982 7.3052 7.3052 8.0230 8.0230 8.4671 8.4671 8.8953 8.8953 9.5126 9.5126 10.5249 10.5249 10.5942 10.5942 k = 0.0000 0.6189 0.6788 ( 3234 PWs) bands (ev): -40.2276 -40.2276 -40.2086 -40.2086 -19.2902 -19.2902 -19.2546 -19.2546 -18.8259 -18.8259 -18.7896 -18.7896 -18.6952 -18.6952 -18.6421 -18.6421 3.0277 3.0277 5.6494 5.6494 6.4583 6.4583 7.3663 7.3663 8.0514 8.0514 8.4363 8.4363 8.8486 8.8486 9.4876 9.4876 10.5184 10.5184 10.5841 10.5841 k = 0.0000 0.6189 0.6962 ( 3234 PWs) bands (ev): -40.2261 -40.2261 -40.2086 -40.2086 -19.2912 -19.2912 -19.2585 -19.2585 -18.8263 -18.8263 -18.7928 -18.7928 -18.6937 -18.6937 -18.6446 -18.6446 3.1264 3.1264 5.6019 5.6019 6.4522 6.4522 7.4289 7.4289 8.0568 8.0568 8.4180 8.4180 8.8086 8.8086 9.4613 9.4613 10.5114 10.5114 10.5734 10.5734 k = 0.0000 0.6189 0.7136 ( 3238 PWs) bands (ev): -40.2247 -40.2247 -40.2088 -40.2088 -19.2920 -19.2920 -19.2623 -19.2623 -18.8265 -18.8265 -18.7959 -18.7959 -18.6922 -18.6922 -18.6471 -18.6471 3.2273 3.2273 5.5262 5.5262 6.4761 6.4761 7.4924 7.4924 8.0348 8.0348 8.4147 8.4147 8.7768 8.7768 9.4336 9.4336 10.5043 10.5043 10.5620 10.5620 k = 0.0000 0.6189 0.7310 ( 3236 PWs) bands (ev): -40.2234 -40.2234 -40.2090 -40.2090 -19.2926 -19.2926 -19.2660 -19.2660 -18.8265 -18.8265 -18.7988 -18.7988 -18.6904 -18.6904 -18.6496 -18.6496 3.3304 3.3304 5.4306 5.4306 6.5220 6.5220 7.5563 7.5563 7.9892 7.9892 8.4198 8.4198 8.7561 8.7561 9.4044 9.4044 10.4972 10.4972 10.5504 10.5504 k = 0.0000 0.6189 0.7484 ( 3236 PWs) bands (ev): -40.2221 -40.2221 -40.2092 -40.2092 -19.2931 -19.2931 -19.2694 -19.2694 -18.8263 -18.8263 -18.8016 -18.8016 -18.6886 -18.6886 -18.6521 -18.6521 3.4357 3.4357 5.3223 5.3223 6.5829 6.5829 7.6204 7.6204 7.9275 7.9275 8.4217 8.4217 8.7505 8.7505 9.3737 9.3737 10.4905 10.4905 10.5387 10.5387 k = 0.0000 0.6189 0.7658 ( 3236 PWs) bands (ev): -40.2208 -40.2208 -40.2096 -40.2096 -19.2934 -19.2934 -19.2727 -19.2727 -18.8259 -18.8259 -18.8043 -18.8043 -18.6867 -18.6867 -18.6546 -18.6546 3.5430 3.5430 5.2063 5.2063 6.6535 6.6535 7.6845 7.6845 7.8556 7.8556 8.4124 8.4124 8.7620 8.7620 9.3411 9.3411 10.4843 10.4843 10.5272 10.5272 k = 0.0000 0.6189 0.7832 ( 3234 PWs) bands (ev): -40.2196 -40.2196 -40.2100 -40.2100 -19.2935 -19.2935 -19.2757 -19.2757 -18.8254 -18.8254 -18.8069 -18.8069 -18.6847 -18.6847 -18.6570 -18.6570 3.6524 3.6524 5.0860 5.0860 6.7307 6.7307 7.7478 7.7478 7.7777 7.7777 8.3901 8.3901 8.7888 8.7888 9.3068 9.3068 10.4790 10.4790 10.5162 10.5162 k = 0.0000 0.6189 0.8006 ( 3234 PWs) bands (ev): -40.2185 -40.2185 -40.2104 -40.2104 -19.2934 -19.2934 -19.2786 -19.2786 -18.8248 -18.8248 -18.8092 -18.8092 -18.6826 -18.6826 -18.6595 -18.6595 3.7638 3.7638 4.9633 4.9633 6.8124 6.8124 7.6942 7.6942 7.8119 7.8119 8.3572 8.3572 8.8261 8.8261 9.2704 9.2704 10.4746 10.4746 10.5059 10.5059 k = 0.0000 0.6189 0.8180 ( 3236 PWs) bands (ev): -40.2174 -40.2174 -40.2109 -40.2109 -19.2930 -19.2930 -19.2812 -19.2812 -18.8239 -18.8239 -18.8115 -18.8115 -18.6805 -18.6805 -18.6619 -18.6619 3.8771 3.8771 4.8396 4.8396 6.8973 6.8973 7.6086 7.6086 7.8744 7.8744 8.3166 8.3166 8.8697 8.8697 9.2321 9.2321 10.4713 10.4713 10.4966 10.4966 k = 0.0000 0.6189 0.8354 ( 3240 PWs) bands (ev): -40.2164 -40.2164 -40.2115 -40.2115 -19.2924 -19.2924 -19.2836 -19.2836 -18.8229 -18.8229 -18.8136 -18.8136 -18.6783 -18.6783 -18.6643 -18.6643 3.9923 3.9923 4.7157 4.7157 6.9843 6.9843 7.5210 7.5210 7.9360 7.9360 8.2708 8.2708 8.9164 8.9164 9.1917 9.1917 10.4693 10.4693 10.4884 10.4884 k = 0.0000 0.6189 0.8528 ( 3238 PWs) bands (ev): -40.2154 -40.2154 -40.2122 -40.2122 -19.2916 -19.2916 -19.2857 -19.2857 -18.8218 -18.8218 -18.8155 -18.8155 -18.6760 -18.6760 -18.6667 -18.6667 4.1093 4.1093 4.5922 4.5922 7.0728 7.0728 7.4320 7.4320 7.9965 7.9965 8.2210 8.2210 8.9643 8.9643 9.1494 9.1494 10.4688 10.4688 10.4815 10.4815 k = 0.0000 0.6189 0.8702 ( 3238 PWs) bands (ev): -40.2145 -40.2145 -40.2129 -40.2129 -19.2905 -19.2905 -19.2876 -19.2876 -18.8204 -18.8204 -18.8173 -18.8173 -18.6737 -18.6737 -18.6691 -18.6691 4.2279 4.2279 4.4696 4.4696 7.1623 7.1623 7.3423 7.3423 8.0555 8.0555 8.1681 8.1681 9.0123 9.0123 9.1052 9.1052 10.4697 10.4697 10.4761 10.4761 k = 0.0000 0.6189 0.8876 ( 3236 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2892 -19.2892 -19.2892 -19.2892 -18.8190 -18.8190 -18.8190 -18.8190 -18.6714 -18.6714 -18.6714 -18.6714 4.3481 4.3481 4.3481 4.3481 7.2523 7.2523 7.2523 7.2523 8.1129 8.1129 8.1129 8.1129 9.0594 9.0594 9.0594 9.0594 10.4721 10.4721 10.4721 10.4721 k = 0.0000 0.6189 0.8876 ( 3236 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2892 -19.2892 -19.2892 -19.2892 -18.8190 -18.8190 -18.8190 -18.8190 -18.6714 -18.6714 -18.6714 -18.6714 4.3481 4.3481 4.3481 4.3481 7.2523 7.2523 7.2523 7.2523 8.1129 8.1129 8.1129 8.1129 9.0594 9.0594 9.0594 9.0594 10.4721 10.4721 10.4721 10.4721 k = 0.0175 0.6189 0.8876 ( 3234 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2893 -19.2893 -19.2890 -19.2890 -18.8197 -18.8197 -18.8182 -18.8182 -18.6720 -18.6720 -18.6708 -18.6708 4.3484 4.3484 4.3487 4.3487 7.2500 7.2500 7.2500 7.2500 8.1128 8.1128 8.1135 8.1135 9.0617 9.0617 9.0619 9.0619 10.4714 10.4714 10.4722 10.4722 k = 0.0350 0.6189 0.8876 ( 3234 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2895 -19.2895 -19.2889 -19.2889 -18.8204 -18.8204 -18.8175 -18.8175 -18.6725 -18.6725 -18.6702 -18.6702 4.3497 4.3497 4.3503 4.3503 7.2432 7.2432 7.2433 7.2433 8.1132 8.1132 8.1147 8.1147 9.0686 9.0686 9.0691 9.0691 10.4701 10.4701 10.4716 10.4716 k = 0.0524 0.6189 0.8876 ( 3236 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2897 -19.2897 -19.2888 -19.2888 -18.8211 -18.8211 -18.8169 -18.8169 -18.6730 -18.6730 -18.6696 -18.6696 4.3518 4.3518 4.3528 4.3528 7.2322 7.2322 7.2323 7.2323 8.1141 8.1141 8.1164 8.1164 9.0801 9.0801 9.0807 9.0807 10.4680 10.4680 10.4703 10.4703 k = 0.0699 0.6189 0.8876 ( 3232 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2899 -19.2899 -19.2887 -19.2887 -18.8218 -18.8218 -18.8162 -18.8162 -18.6734 -18.6734 -18.6690 -18.6690 4.3549 4.3549 4.3562 4.3562 7.2171 7.2171 7.2173 7.2173 8.1156 8.1156 8.1185 8.1185 9.0957 9.0957 9.0966 9.0966 10.4651 10.4651 10.4681 10.4681 k = 0.0874 0.6189 0.8876 ( 3230 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2901 -19.2901 -19.2886 -19.2886 -18.8225 -18.8225 -18.8156 -18.8156 -18.6738 -18.6738 -18.6683 -18.6683 4.3588 4.3588 4.3605 4.3605 7.1986 7.1986 7.1989 7.1989 8.1175 8.1175 8.1210 8.1210 9.1152 9.1152 9.1164 9.1164 10.4611 10.4611 10.4648 10.4648 k = 0.1049 0.6189 0.8876 ( 3232 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2903 -19.2903 -19.2886 -19.2886 -18.8232 -18.8232 -18.8150 -18.8150 -18.6742 -18.6742 -18.6677 -18.6677 4.3635 4.3635 4.3655 4.3655 7.1770 7.1770 7.1774 7.1774 8.1198 8.1198 8.1238 8.1238 9.1381 9.1381 9.1396 9.1396 10.4558 10.4558 10.4602 10.4602 k = 0.1223 0.6189 0.8876 ( 3228 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2905 -19.2905 -19.2885 -19.2885 -18.8238 -18.8238 -18.8145 -18.8145 -18.6745 -18.6745 -18.6671 -18.6671 4.3689 4.3689 4.3711 4.3711 7.1530 7.1530 7.1535 7.1535 8.1225 8.1225 8.1270 8.1270 9.1640 9.1640 9.1658 9.1658 10.4489 10.4489 10.4541 10.4541 k = 0.1398 0.6189 0.8876 ( 3230 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2907 -19.2907 -19.2885 -19.2885 -18.8244 -18.8244 -18.8140 -18.8140 -18.6748 -18.6748 -18.6665 -18.6665 4.3749 4.3749 4.3774 4.3774 7.1270 7.1270 7.1277 7.1277 8.1256 8.1256 8.1305 8.1305 9.1922 9.1922 9.1944 9.1944 10.4402 10.4402 10.4461 10.4461 k = 0.1573 0.6189 0.8876 ( 3230 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2909 -19.2909 -19.2885 -19.2885 -18.8250 -18.8250 -18.8136 -18.8136 -18.6750 -18.6750 -18.6659 -18.6659 4.3813 4.3813 4.3841 4.3841 7.0997 7.0997 7.1006 7.1006 8.1290 8.1290 8.1342 8.1342 9.2224 9.2224 9.2250 9.2250 10.4295 10.4295 10.4361 10.4361 k = 0.1748 0.6189 0.8876 ( 3232 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2911 -19.2911 -19.2886 -19.2886 -18.8255 -18.8255 -18.8132 -18.8132 -18.6751 -18.6751 -18.6654 -18.6654 4.3881 4.3881 4.3911 4.3911 7.0716 7.0716 7.0727 7.0727 8.1327 8.1327 8.1382 8.1382 9.2537 9.2537 9.2568 9.2568 10.4167 10.4167 10.4240 10.4240 k = 0.1923 0.6189 0.8876 ( 3234 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2913 -19.2913 -19.2886 -19.2886 -18.8259 -18.8259 -18.8129 -18.8129 -18.6752 -18.6752 -18.6649 -18.6649 4.3951 4.3951 4.3983 4.3983 7.0433 7.0433 7.0446 7.0446 8.1367 8.1367 8.1424 8.1424 9.2858 9.2858 9.2893 9.2893 10.4018 10.4018 10.4097 10.4097 k = 0.2097 0.6189 0.8876 ( 3240 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2915 -19.2915 -19.2887 -19.2887 -18.8263 -18.8263 -18.8127 -18.8127 -18.6753 -18.6753 -18.6644 -18.6644 4.4021 4.4021 4.4056 4.4056 7.0153 7.0153 7.0167 7.0167 8.1409 8.1409 8.1468 8.1468 9.3178 9.3178 9.3218 9.3218 10.3848 10.3848 10.3934 10.3934 k = 0.2272 0.6189 0.8876 ( 3246 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2917 -19.2917 -19.2888 -19.2888 -18.8267 -18.8267 -18.8125 -18.8125 -18.6753 -18.6753 -18.6640 -18.6640 4.4090 4.4090 4.4127 4.4127 6.9882 6.9882 6.9898 6.9898 8.1453 8.1453 8.1514 8.1514 9.3489 9.3489 9.3535 9.3535 10.3662 10.3662 10.3755 10.3755 k = 0.2447 0.6189 0.8876 ( 3244 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2919 -19.2919 -19.2888 -19.2888 -18.8270 -18.8270 -18.8124 -18.8124 -18.6752 -18.6752 -18.6636 -18.6636 4.4157 4.4157 4.4196 4.4196 6.9624 6.9624 6.9641 6.9641 8.1499 8.1499 8.1562 8.1562 9.3785 9.3785 9.3836 9.3836 10.3466 10.3466 10.3565 10.3565 k = 0.2622 0.6189 0.8876 ( 3250 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2921 -19.2921 -19.2889 -19.2889 -18.8272 -18.8272 -18.8123 -18.8123 -18.6751 -18.6751 -18.6633 -18.6633 4.4219 4.4219 4.4259 4.4259 6.9383 6.9383 6.9401 6.9401 8.1547 8.1547 8.1611 8.1611 9.4055 9.4055 9.4111 9.4111 10.3267 10.3267 10.3373 10.3373 k = 0.2796 0.6189 0.8876 ( 3252 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2922 -19.2922 -19.2890 -19.2890 -18.8274 -18.8274 -18.8123 -18.8123 -18.6750 -18.6750 -18.6631 -18.6631 4.4274 4.4274 4.4316 4.4316 6.9165 6.9165 6.9184 6.9184 8.1597 8.1597 8.1662 8.1662 9.4287 9.4287 9.4349 9.4349 10.3078 10.3078 10.3190 10.3190 k = 0.2971 0.6189 0.8876 ( 3252 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2923 -19.2923 -19.2891 -19.2891 -18.8275 -18.8275 -18.8124 -18.8124 -18.6748 -18.6748 -18.6628 -18.6628 4.4322 4.4322 4.4364 4.4364 6.8972 6.8972 6.8991 6.8991 8.1649 8.1649 8.1714 8.1714 9.4472 9.4472 9.4538 9.4538 10.2912 10.2912 10.3030 10.3030 k = 0.3146 0.6189 0.8876 ( 3250 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2924 -19.2924 -19.2892 -19.2892 -18.8275 -18.8275 -18.8125 -18.8125 -18.6746 -18.6746 -18.6627 -18.6627 4.4359 4.4359 4.4402 4.4402 6.8808 6.8808 6.8828 6.8828 8.1701 8.1701 8.1768 8.1768 9.4595 9.4595 9.4665 9.4665 10.2782 10.2782 10.2905 10.2905 k = 0.3146 0.6189 0.8876 ( 3250 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2924 -19.2924 -19.2892 -19.2892 -18.8275 -18.8275 -18.8125 -18.8125 -18.6746 -18.6746 -18.6627 -18.6627 4.4359 4.4359 4.4402 4.4402 6.8808 6.8808 6.8828 6.8828 8.1701 8.1701 8.1768 8.1768 9.4595 9.4595 9.4665 9.4665 10.2782 10.2782 10.2905 10.2905 k = 0.3067 0.6034 0.8876 ( 3250 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2922 -19.2922 -19.2890 -19.2890 -18.8275 -18.8275 -18.8122 -18.8122 -18.6751 -18.6751 -18.6629 -18.6629 4.4284 4.4284 4.4326 4.4326 6.9148 6.9148 6.9168 6.9168 8.1573 8.1573 8.1638 8.1638 9.4388 9.4388 9.4451 9.4451 10.3016 10.3016 10.3130 10.3130 k = 0.2989 0.5879 0.8876 ( 3254 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2920 -19.2920 -19.2888 -19.2888 -18.8275 -18.8275 -18.8120 -18.8120 -18.6756 -18.6756 -18.6632 -18.6632 4.4200 4.4200 4.4241 4.4241 6.9518 6.9518 6.9537 6.9537 8.1421 8.1421 8.1484 8.1484 9.4162 9.4162 9.4218 9.4218 10.3247 10.3247 10.3352 10.3352 k = 0.2910 0.5725 0.8876 ( 3254 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2919 -19.2919 -19.2886 -19.2886 -18.8274 -18.8274 -18.8117 -18.8117 -18.6760 -18.6760 -18.6636 -18.6636 4.4108 4.4108 4.4147 4.4147 6.9915 6.9915 6.9934 6.9934 8.1249 8.1249 8.1310 8.1310 9.3923 9.3923 9.3974 9.3974 10.3466 10.3466 10.3562 10.3562 k = 0.2831 0.5570 0.8876 ( 3246 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2917 -19.2917 -19.2884 -19.2884 -18.8273 -18.8273 -18.8115 -18.8115 -18.6764 -18.6764 -18.6639 -18.6639 4.4008 4.4008 4.4046 4.4046 7.0337 7.0337 7.0356 7.0356 8.1059 8.1059 8.1117 8.1117 9.3678 9.3678 9.3723 9.3723 10.3668 10.3668 10.3756 10.3756 k = 0.2753 0.5415 0.8876 ( 3246 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2915 -19.2915 -19.2882 -19.2882 -18.8272 -18.8272 -18.8112 -18.8112 -18.6769 -18.6769 -18.6642 -18.6642 4.3900 4.3900 4.3936 4.3936 7.0781 7.0781 7.0799 7.0799 8.0854 8.0854 8.0909 8.0909 9.3428 9.3428 9.3468 9.3468 10.3852 10.3852 10.3932 10.3932 k = 0.2674 0.5260 0.8876 ( 3250 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2913 -19.2913 -19.2880 -19.2880 -18.8271 -18.8271 -18.8111 -18.8111 -18.6773 -18.6773 -18.6646 -18.6646 4.3786 4.3786 4.3820 4.3820 7.1244 7.1244 7.1261 7.1261 8.0637 8.0637 8.0689 8.0689 9.3177 9.3177 9.3213 9.3213 10.4019 10.4019 10.4093 10.4093 k = 0.2595 0.5106 0.8876 ( 3244 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2911 -19.2911 -19.2877 -19.2877 -18.8269 -18.8269 -18.8108 -18.8108 -18.6777 -18.6777 -18.6649 -18.6649 4.3665 4.3665 4.3697 4.3697 7.1722 7.1722 7.1738 7.1738 8.0413 8.0413 8.0461 8.0461 9.2928 9.2928 9.2960 9.2960 10.4173 10.4173 10.4241 10.4241 k = 0.2517 0.4951 0.8876 ( 3248 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2909 -19.2909 -19.2876 -19.2876 -18.8268 -18.8268 -18.8107 -18.8107 -18.6781 -18.6781 -18.6653 -18.6653 4.3539 4.3539 4.3569 4.3569 7.2210 7.2210 7.2226 7.2226 8.0184 8.0184 8.0229 8.0229 9.2683 9.2683 9.2711 9.2711 10.4319 10.4319 10.4381 10.4381 k = 0.2438 0.4796 0.8876 ( 3232 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2906 -19.2906 -19.2873 -19.2873 -18.8265 -18.8265 -18.8105 -18.8105 -18.6784 -18.6784 -18.6657 -18.6657 4.3409 4.3409 4.3437 4.3437 7.2706 7.2706 7.2721 7.2721 7.9957 7.9957 7.9998 7.9998 9.2443 9.2443 9.2467 9.2467 10.4461 10.4461 10.4519 10.4519 k = 0.2360 0.4642 0.8876 ( 3236 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2904 -19.2904 -19.2871 -19.2871 -18.8263 -18.8263 -18.8104 -18.8104 -18.6788 -18.6788 -18.6661 -18.6661 4.3274 4.3274 4.3300 4.3300 7.3201 7.3201 7.3216 7.3216 7.9734 7.9734 7.9772 7.9772 9.2208 9.2208 9.2230 9.2230 10.4606 10.4606 10.4659 10.4659 k = 0.2281 0.4487 0.8876 ( 3232 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2902 -19.2902 -19.2869 -19.2869 -18.8261 -18.8261 -18.8102 -18.8102 -18.6791 -18.6791 -18.6665 -18.6665 4.3136 4.3136 4.3160 4.3160 7.3691 7.3691 7.3706 7.3706 7.9523 7.9523 7.9556 7.9556 9.1979 9.1979 9.1999 9.1999 10.4757 10.4757 10.4807 10.4807 k = 0.2202 0.4332 0.8876 ( 3228 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2900 -19.2900 -19.2867 -19.2867 -18.8258 -18.8258 -18.8101 -18.8101 -18.6794 -18.6794 -18.6669 -18.6669 4.2995 4.2995 4.3017 4.3017 7.4168 7.4168 7.4182 7.4182 7.9328 7.9328 7.9358 7.9358 9.1758 9.1758 9.1776 9.1776 10.4920 10.4920 10.4967 10.4967 k = 0.2124 0.4177 0.8876 ( 3224 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2897 -19.2897 -19.2865 -19.2865 -18.8255 -18.8255 -18.8100 -18.8100 -18.6797 -18.6797 -18.6673 -18.6673 4.2852 4.2852 4.2872 4.2872 7.4623 7.4623 7.4636 7.4636 7.9158 7.9158 7.9184 7.9184 9.1545 9.1545 9.1561 9.1561 10.5098 10.5098 10.5142 10.5142 k = 0.2045 0.4023 0.8876 ( 3220 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2895 -19.2895 -19.2864 -19.2864 -18.8252 -18.8252 -18.8100 -18.8100 -18.6799 -18.6799 -18.6678 -18.6678 4.2708 4.2708 4.2726 4.2726 7.5044 7.5044 7.5057 7.5057 7.9022 7.9022 7.9044 7.9044 9.1340 9.1340 9.1354 9.1354 10.5295 10.5295 10.5337 10.5337 k = 0.1966 0.3868 0.8876 ( 3220 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2892 -19.2892 -19.2862 -19.2862 -18.8249 -18.8249 -18.8099 -18.8099 -18.6802 -18.6802 -18.6682 -18.6682 4.2562 4.2562 4.2578 4.2578 7.5419 7.5419 7.5431 7.5431 7.8931 7.8931 7.8949 7.8949 9.1144 9.1144 9.1156 9.1156 10.5515 10.5515 10.5555 10.5555 k = 0.1888 0.3713 0.8876 ( 3220 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2890 -19.2890 -19.2860 -19.2860 -18.8246 -18.8246 -18.8099 -18.8099 -18.6804 -18.6804 -18.6687 -18.6687 4.2416 4.2416 4.2430 4.2430 7.5732 7.5732 7.5743 7.5743 7.8897 7.8897 7.8912 7.8912 9.0956 9.0956 9.0967 9.0967 10.5760 10.5760 10.5798 10.5798 k = 0.1809 0.3559 0.8876 ( 3224 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2888 -19.2888 -19.2859 -19.2859 -18.8242 -18.8242 -18.8099 -18.8099 -18.6806 -18.6806 -18.6691 -18.6691 4.2271 4.2271 4.2283 4.2283 7.5972 7.5972 7.5982 7.5982 7.8929 7.8929 7.8942 7.8942 9.0777 9.0777 9.0787 9.0787 10.6033 10.6033 10.6070 10.6070 k = 0.1730 0.3404 0.8876 ( 3224 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2886 -19.2886 -19.2857 -19.2857 -18.8239 -18.8239 -18.8099 -18.8099 -18.6807 -18.6807 -18.6696 -18.6696 4.2126 4.2126 4.2136 4.2136 7.6136 7.6136 7.6144 7.6144 7.9029 7.9029 7.9041 7.9041 9.0607 9.0607 9.0616 9.0616 10.6337 10.6337 10.6372 10.6372 k = 0.1652 0.3249 0.8876 ( 3232 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2883 -19.2883 -19.2856 -19.2856 -18.8235 -18.8235 -18.8100 -18.8100 -18.6809 -18.6809 -18.6701 -18.6701 4.1982 4.1982 4.1991 4.1991 7.6231 7.6231 7.6236 7.6236 7.9185 7.9185 7.9196 7.9196 9.0445 9.0445 9.0454 9.0454 10.6673 10.6673 10.6707 10.6707 k = 0.1573 0.3094 0.8876 ( 3228 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2881 -19.2881 -19.2854 -19.2854 -18.8231 -18.8231 -18.8100 -18.8100 -18.6810 -18.6810 -18.6706 -18.6706 4.1841 4.1841 4.1848 4.1848 7.6274 7.6274 7.6278 7.6278 7.9379 7.9379 7.9390 7.9390 9.0294 9.0294 9.0301 9.0301 10.7043 10.7043 10.7076 10.7076 k = 0.1494 0.2940 0.8876 ( 3212 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2878 -19.2878 -19.2853 -19.2853 -18.8227 -18.8227 -18.8101 -18.8101 -18.6811 -18.6811 -18.6710 -18.6710 4.1702 4.1702 4.1707 4.1707 7.6286 7.6286 7.6286 7.6286 7.9591 7.9591 7.9601 7.9601 9.0152 9.0152 9.0159 9.0159 10.7448 10.7448 10.7480 10.7480 k = 0.1416 0.2785 0.8876 ( 3208 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2876 -19.2876 -19.2852 -19.2852 -18.8223 -18.8223 -18.8102 -18.8102 -18.6811 -18.6811 -18.6714 -18.6714 4.1565 4.1565 4.1570 4.1570 7.6276 7.6276 7.6278 7.6278 7.9801 7.9801 7.9812 7.9812 9.0018 9.0018 9.0025 9.0025 10.7888 10.7888 10.7920 10.7920 k = 0.1337 0.2630 0.8876 ( 3212 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2874 -19.2874 -19.2851 -19.2851 -18.8219 -18.8219 -18.8103 -18.8103 -18.6812 -18.6812 -18.6719 -18.6719 4.1432 4.1432 4.1436 4.1436 7.6260 7.6260 7.6265 7.6265 7.9999 7.9999 8.0009 8.0009 8.9893 8.9893 8.9899 8.9899 10.8363 10.8363 10.8394 10.8394 k = 0.1258 0.2475 0.8876 ( 3216 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2872 -19.2872 -19.2850 -19.2850 -18.8214 -18.8214 -18.8104 -18.8104 -18.6812 -18.6812 -18.6724 -18.6724 4.1303 4.1303 4.1306 4.1306 7.6245 7.6245 7.6253 7.6253 8.0174 8.0174 8.0185 8.0185 8.9777 8.9777 8.9783 8.9783 10.8872 10.8872 10.8903 10.8903 k = 0.1180 0.2321 0.8876 ( 3204 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2870 -19.2870 -19.2848 -19.2848 -18.8210 -18.8210 -18.8105 -18.8105 -18.6812 -18.6812 -18.6728 -18.6728 4.1179 4.1179 4.1181 4.1181 7.6238 7.6238 7.6248 7.6248 8.0323 8.0323 8.0334 8.0334 8.9670 8.9670 8.9676 8.9676 10.9413 10.9413 10.9444 10.9444 k = 0.1101 0.2166 0.8876 ( 3200 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2867 -19.2867 -19.2847 -19.2847 -18.8206 -18.8206 -18.8107 -18.8107 -18.6812 -18.6812 -18.6733 -18.6733 4.1060 4.1060 4.1061 4.1061 7.6240 7.6240 7.6252 7.6252 8.0441 8.0441 8.0453 8.0453 8.9571 8.9571 8.9577 8.9577 10.9983 10.9983 11.0013 11.0013 k = 0.1022 0.2011 0.8876 ( 3208 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2866 -19.2866 -19.2847 -19.2847 -18.8201 -18.8201 -18.8109 -18.8109 -18.6812 -18.6812 -18.6737 -18.6737 4.0946 4.0946 4.0947 4.0947 7.6253 7.6253 7.6266 7.6266 8.0528 8.0528 8.0540 8.0540 8.9480 8.9480 8.9486 8.9486 11.0578 11.0578 11.0607 11.0607 k = 0.0944 0.1857 0.8876 ( 3214 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2864 -19.2864 -19.2846 -19.2846 -18.8197 -18.8197 -18.8111 -18.8111 -18.6811 -18.6811 -18.6742 -18.6742 4.0839 4.0839 4.0839 4.0839 7.6278 7.6278 7.6293 7.6293 8.0584 8.0584 8.0597 8.0597 8.9398 8.9398 8.9403 8.9403 11.1193 11.1193 11.1222 11.1222 k = 0.0865 0.1702 0.8876 ( 3218 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2862 -19.2862 -19.2846 -19.2846 -18.8193 -18.8193 -18.8113 -18.8113 -18.6810 -18.6810 -18.6746 -18.6746 4.0737 4.0737 4.0738 4.0738 7.6316 7.6316 7.6332 7.6332 8.0612 8.0612 8.0625 8.0625 8.9323 8.9323 8.9328 8.9328 11.1823 11.1823 11.1853 11.1853 k = 0.0787 0.1547 0.8876 ( 3218 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2860 -19.2860 -19.2846 -19.2846 -18.8189 -18.8189 -18.8115 -18.8115 -18.6809 -18.6809 -18.6751 -18.6751 4.0643 4.0643 4.0644 4.0644 7.6365 7.6365 7.6382 7.6382 8.0614 8.0614 8.0627 8.0627 8.9256 8.9256 8.9261 8.9261 11.2462 11.2462 11.2491 11.2491 k = 0.0708 0.1392 0.8876 ( 3214 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2858 -19.2858 -19.2845 -19.2845 -18.8184 -18.8184 -18.8118 -18.8118 -18.6808 -18.6808 -18.6755 -18.6755 4.0557 4.0557 4.0558 4.0558 7.6426 7.6426 7.6443 7.6443 8.0592 8.0592 8.0606 8.0606 8.9196 8.9196 8.9201 8.9201 11.3103 11.3103 11.3132 11.3132 k = 0.0629 0.1238 0.8876 ( 3202 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2856 -19.2856 -19.2845 -19.2845 -18.8179 -18.8179 -18.8120 -18.8120 -18.6806 -18.6806 -18.6759 -18.6759 4.0478 4.0478 4.0479 4.0479 7.6495 7.6495 7.6512 7.6512 8.0551 8.0551 8.0565 8.0565 8.9144 8.9144 8.9148 8.9148 11.3738 11.3738 11.3768 11.3768 k = 0.0551 0.1083 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2855 -19.2855 -19.2845 -19.2845 -18.8175 -18.8175 -18.8123 -18.8123 -18.6805 -18.6805 -18.6763 -18.6763 4.0408 4.0408 4.0409 4.0409 7.6568 7.6568 7.6585 7.6585 8.0496 8.0496 8.0509 8.0509 8.9098 8.9098 8.9102 8.9102 11.4362 11.4362 11.4391 11.4391 k = 0.0472 0.0928 0.8876 ( 3210 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2854 -19.2854 -19.2845 -19.2845 -18.8171 -18.8171 -18.8126 -18.8126 -18.6803 -18.6803 -18.6767 -18.6767 4.0346 4.0346 4.0347 4.0347 7.6645 7.6645 7.6661 7.6661 8.0431 8.0431 8.0444 8.0444 8.9059 8.9059 8.9062 8.9062 11.4966 11.4966 11.4997 11.4997 k = 0.0393 0.0774 0.8876 ( 3226 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2853 -19.2853 -19.2845 -19.2845 -18.8167 -18.8167 -18.8130 -18.8130 -18.6801 -18.6801 -18.6771 -18.6771 4.0293 4.0293 4.0295 4.0295 7.6720 7.6720 7.6734 7.6734 8.0362 8.0362 8.0374 8.0374 8.9026 8.9026 8.9029 8.9029 11.5546 11.5546 11.5577 11.5577 k = 0.0315 0.0619 0.8876 ( 3222 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2851 -19.2851 -19.2845 -19.2845 -18.8163 -18.8163 -18.8133 -18.8133 -18.6799 -18.6799 -18.6774 -18.6774 4.0250 4.0250 4.0251 4.0251 7.6792 7.6792 7.6804 7.6804 8.0295 8.0295 8.0305 8.0305 8.9000 8.9000 8.9002 8.9002 11.6097 11.6097 11.6129 11.6129 k = 0.0236 0.0464 0.8876 ( 3218 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2850 -19.2850 -19.2846 -19.2846 -18.8159 -18.8159 -18.8136 -18.8136 -18.6796 -18.6796 -18.6778 -18.6778 4.0216 4.0216 4.0217 4.0217 7.6855 7.6855 7.6865 7.6865 8.0236 8.0236 8.0244 8.0244 8.8979 8.8979 8.8981 8.8981 11.6614 11.6614 11.6647 11.6647 k = 0.0157 0.0309 0.8876 ( 3210 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2849 -19.2849 -19.2846 -19.2846 -18.8154 -18.8154 -18.8139 -18.8139 -18.6793 -18.6793 -18.6781 -18.6781 4.0192 4.0192 4.0193 4.0193 7.6905 7.6905 7.6912 7.6912 8.0189 8.0189 8.0195 8.0195 8.8965 8.8965 8.8966 8.8966 11.7095 11.7095 11.7129 11.7129 k = 0.0079 0.0155 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2848 -19.2848 -19.2846 -19.2846 -18.8150 -18.8150 -18.8143 -18.8143 -18.6790 -18.6790 -18.6784 -18.6784 4.0177 4.0177 4.0178 4.0178 7.6937 7.6937 7.6941 7.6941 8.0160 8.0160 8.0163 8.0163 8.8957 8.8957 8.8957 8.8957 11.7532 11.7532 11.7566 11.7566 k = 0.0000 0.0000 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2847 -19.2847 -19.2847 -19.2847 -18.8147 -18.8147 -18.8147 -18.8147 -18.6788 -18.6788 -18.6788 -18.6788 4.0173 4.0173 4.0173 4.0173 7.6949 7.6949 7.6949 7.6949 8.0151 8.0151 8.0151 8.0151 8.8954 8.8954 8.8954 8.8954 11.7839 11.7839 11.7839 11.8154 k = 0.0000 0.0000 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2847 -19.2847 -19.2847 -19.2847 -18.8147 -18.8147 -18.8147 -18.8147 -18.6788 -18.6788 -18.6788 -18.6788 4.0173 4.0173 4.0173 4.0173 7.6949 7.6949 7.6949 7.6949 8.0151 8.0151 8.0151 8.0151 8.8954 8.8954 8.8954 8.8954 11.7839 11.7839 11.7839 11.8154 k = 0.0000 0.0000 0.8702 ( 3210 PWs) bands (ev): -40.2146 -40.2146 -40.2128 -40.2128 -19.2864 -19.2864 -19.2828 -19.2828 -18.8161 -18.8161 -18.8131 -18.8131 -18.6814 -18.6814 -18.6760 -18.6760 3.8818 3.8818 4.1547 4.1547 7.6714 7.6714 7.7185 7.7185 7.9428 7.9428 8.0852 8.0852 8.8435 8.8435 8.9466 8.9466 11.7812 11.7813 11.7850 11.7853 k = 0.0000 0.0000 0.8528 ( 3208 PWs) bands (ev): -40.2156 -40.2156 -40.2120 -40.2120 -19.2878 -19.2878 -19.2806 -19.2806 -18.8173 -18.8173 -18.8114 -18.8114 -18.6841 -18.6841 -18.6733 -18.6733 3.7484 3.7484 4.2941 4.2941 7.6477 7.6477 7.7422 7.7422 7.8687 7.8687 8.1530 8.1530 8.7909 8.7909 8.9972 8.9972 11.7507 11.7507 11.7835 11.7849 k = 0.0000 0.0000 0.8354 ( 3208 PWs) bands (ev): -40.2167 -40.2167 -40.2113 -40.2113 -19.2890 -19.2890 -19.2782 -19.2782 -18.8184 -18.8184 -18.8095 -18.8095 -18.6866 -18.6866 -18.6705 -18.6705 3.6171 3.6171 4.4355 4.4355 7.6241 7.6241 7.7657 7.7657 7.7930 7.7930 8.2183 8.2183 8.7375 8.7375 9.0474 9.0474 11.7175 11.7175 11.7848 11.7851 k = 0.0000 0.0000 0.8180 ( 3216 PWs) bands (ev): -40.2178 -40.2178 -40.2106 -40.2106 -19.2899 -19.2899 -19.2755 -19.2755 -18.8194 -18.8194 -18.8075 -18.8075 -18.6892 -18.6892 -18.6677 -18.6677 3.4879 3.4879 4.5786 4.5786 7.6004 7.6004 7.7157 7.7157 7.7894 7.7894 8.2807 8.2807 8.6833 8.6833 9.0972 9.0972 11.6845 11.6845 11.7860 11.7860 k = 0.0000 0.0000 0.8006 ( 3208 PWs) bands (ev): -40.2190 -40.2190 -40.2100 -40.2100 -19.2906 -19.2906 -19.2726 -19.2726 -18.8201 -18.8201 -18.8053 -18.8053 -18.6916 -18.6916 -18.6649 -18.6649 3.3610 3.3610 4.7235 4.7235 7.5766 7.5766 7.6376 7.6376 7.8133 7.8133 8.3403 8.3403 8.6282 8.6282 9.1467 9.1467 11.6519 11.6519 11.7864 11.7865 k = 0.0000 0.0000 0.7832 ( 3218 PWs) bands (ev): -40.2202 -40.2202 -40.2095 -40.2095 -19.2911 -19.2911 -19.2695 -19.2695 -18.8207 -18.8207 -18.8031 -18.8031 -18.6939 -18.6939 -18.6621 -18.6621 3.2363 3.2363 4.8700 4.8700 7.5523 7.5523 7.5589 7.5589 7.8370 7.8370 8.3967 8.3967 8.5722 8.5722 9.1960 9.1960 11.6204 11.6204 11.7849 11.7850 k = 0.0000 0.0000 0.7658 ( 3214 PWs) bands (ev): -40.2215 -40.2215 -40.2090 -40.2090 -19.2914 -19.2914 -19.2661 -19.2661 -18.8211 -18.8211 -18.8006 -18.8006 -18.6961 -18.6961 -18.6592 -18.6592 3.1139 3.1139 5.0180 5.0180 7.4788 7.4788 7.5288 7.5288 7.8608 7.8608 8.4497 8.4497 8.5158 8.5158 9.2453 9.2453 11.5901 11.5901 11.7807 11.7808 k = 0.0000 0.0000 0.7484 ( 3208 PWs) bands (ev): -40.2228 -40.2228 -40.2086 -40.2086 -19.2915 -19.2915 -19.2625 -19.2625 -18.8213 -18.8213 -18.7981 -18.7981 -18.6982 -18.6982 -18.6563 -18.6563 2.9937 2.9937 5.1675 5.1675 7.3988 7.3988 7.5046 7.5046 7.8848 7.8848 8.4559 8.4559 8.5022 8.5022 9.2946 9.2946 11.5614 11.5614 11.7730 11.7730 k = 0.0000 0.0000 0.7310 ( 3208 PWs) bands (ev): -40.2242 -40.2242 -40.2082 -40.2082 -19.2914 -19.2914 -19.2588 -19.2588 -18.8214 -18.8214 -18.7954 -18.7954 -18.7002 -18.7002 -18.6535 -18.6535 2.8759 2.8759 5.3184 5.3184 7.3187 7.3187 7.4803 7.4803 7.9089 7.9089 8.3981 8.3981 8.5486 8.5486 9.3439 9.3439 11.5345 11.5345 11.7609 11.7609 k = 0.0000 0.0000 0.7136 ( 3206 PWs) bands (ev): -40.2256 -40.2256 -40.2080 -40.2080 -19.2911 -19.2911 -19.2549 -19.2549 -18.8213 -18.8213 -18.7927 -18.7927 -18.7020 -18.7020 -18.6506 -18.6506 2.7605 2.7605 5.4704 5.4704 7.2386 7.2386 7.4559 7.4559 7.9330 7.9330 8.3387 8.3387 8.5925 8.5925 9.3934 9.3934 11.5097 11.5097 11.7438 11.7438 k = 0.0000 0.0000 0.6962 ( 3204 PWs) bands (ev): -40.2271 -40.2271 -40.2077 -40.2077 -19.2907 -19.2907 -19.2508 -19.2508 -18.8210 -18.8210 -18.7899 -18.7899 -18.7036 -18.7036 -18.6477 -18.6477 2.6475 2.6475 5.6233 5.6233 7.1589 7.1589 7.4314 7.4314 7.9572 7.9572 8.2786 8.2786 8.6333 8.6333 9.4432 9.4432 11.4871 11.4871 11.7214 11.7214 k = 0.0000 0.0000 0.6788 ( 3204 PWs) bands (ev): -40.2286 -40.2286 -40.2076 -40.2076 -19.2902 -19.2902 -19.2466 -19.2466 -18.8205 -18.8205 -18.7870 -18.7870 -18.7050 -18.7050 -18.6448 -18.6448 2.5369 2.5369 5.7771 5.7771 7.0797 7.0797 7.4066 7.4066 7.9814 7.9814 8.2179 8.2179 8.6712 8.6712 9.4932 9.4932 11.4669 11.4669 11.6935 11.6935 k = 0.0000 0.0000 0.6613 ( 3212 PWs) bands (ev): -40.2302 -40.2302 -40.2075 -40.2075 -19.2896 -19.2896 -19.2423 -19.2423 -18.8199 -18.8199 -18.7841 -18.7841 -18.7061 -18.7061 -18.6420 -18.6420 2.4287 2.4287 5.9312 5.9312 7.0014 7.0014 7.3817 7.3817 8.0056 8.0056 8.1566 8.1566 8.7061 8.7061 9.5433 9.5433 11.4492 11.4492 11.6602 11.6602 k = 0.0000 0.0000 0.6439 ( 3216 PWs) bands (ev): -40.2318 -40.2318 -40.2074 -40.2074 -19.2889 -19.2889 -19.2379 -19.2379 -18.8192 -18.8192 -18.7812 -18.7812 -18.7069 -18.7069 -18.6391 -18.6391 2.3230 2.3230 6.0854 6.0854 6.9243 6.9243 7.3566 7.3566 8.0297 8.0297 8.0950 8.0950 8.7382 8.7382 9.5938 9.5938 11.4340 11.4340 11.6219 11.6219 k = 0.0000 0.0000 0.6265 ( 3224 PWs) bands (ev): -40.2334 -40.2334 -40.2074 -40.2074 -19.2881 -19.2881 -19.2335 -19.2335 -18.8183 -18.8183 -18.7782 -18.7782 -18.7074 -18.7074 -18.6362 -18.6362 2.2199 2.2199 6.2387 6.2387 6.8492 6.8492 7.3315 7.3315 8.0329 8.0329 8.0539 8.0539 8.7675 8.7675 9.6445 9.6445 11.4214 11.4214 11.5792 11.5792 k = 0.0000 0.0000 0.6091 ( 3224 PWs) bands (ev): -40.2351 -40.2351 -40.2075 -40.2075 -19.2873 -19.2873 -19.2290 -19.2290 -18.8173 -18.8173 -18.7753 -18.7753 -18.7076 -18.7076 -18.6332 -18.6332 2.1192 2.1192 6.3891 6.3891 6.7780 6.7780 7.3063 7.3063 7.9709 7.9709 8.0779 8.0779 8.7943 8.7943 9.6955 9.6955 11.4116 11.4116 11.5329 11.5329 k = 0.0000 0.0000 0.5917 ( 3224 PWs) bands (ev): -40.2367 -40.2367 -40.2076 -40.2076 -19.2864 -19.2864 -19.2244 -19.2244 -18.8163 -18.8163 -18.7724 -18.7724 -18.7073 -18.7073 -18.6303 -18.6303 2.0211 2.0211 6.5256 6.5256 6.7214 6.7214 7.2810 7.2810 7.9087 7.9087 8.1019 8.1019 8.8184 8.8184 9.7468 9.7468 11.4043 11.4043 11.4840 11.4840 k = 0.0000 0.0000 0.5743 ( 3228 PWs) bands (ev): -40.2384 -40.2384 -40.2077 -40.2077 -19.2856 -19.2856 -19.2199 -19.2199 -18.8152 -18.8152 -18.7695 -18.7695 -18.7066 -18.7066 -18.6273 -18.6273 1.9255 1.9255 6.5749 6.5749 6.7524 6.7524 7.2556 7.2556 7.8466 7.8466 8.1257 8.1257 8.8401 8.8401 9.7981 9.7981 11.3997 11.3997 11.4338 11.4338 k = 0.0000 0.0000 0.5569 ( 3226 PWs) bands (ev): -40.2401 -40.2401 -40.2079 -40.2079 -19.2847 -19.2847 -19.2154 -19.2154 -18.8141 -18.8141 -18.7666 -18.7666 -18.7055 -18.7055 -18.6242 -18.6242 1.8326 1.8326 6.5252 6.5252 6.8825 6.8825 7.2303 7.2303 7.7848 7.7848 8.1492 8.1492 8.8594 8.8594 9.8493 9.8493 11.3829 11.3829 11.3982 11.3982 k = 0.0000 0.0000 0.5395 ( 3234 PWs) bands (ev): -40.2418 -40.2418 -40.2081 -40.2081 -19.2839 -19.2839 -19.2110 -19.2110 -18.8131 -18.8131 -18.7637 -18.7637 -18.7040 -18.7040 -18.6211 -18.6211 1.7423 1.7423 6.4599 6.4599 7.0278 7.0278 7.2050 7.2050 7.7233 7.7233 8.1726 8.1726 8.8763 8.8763 9.9004 9.9004 11.3339 11.3339 11.3986 11.3986 k = 0.0000 0.0000 0.5221 ( 3226 PWs) bands (ev): -40.2435 -40.2435 -40.2084 -40.2084 -19.2831 -19.2831 -19.2065 -19.2065 -18.8121 -18.8121 -18.7608 -18.7608 -18.7019 -18.7019 -18.6180 -18.6180 1.6546 1.6546 6.3928 6.3928 7.1737 7.1737 7.1803 7.1803 7.6624 7.6624 8.1957 8.1957 8.8909 8.8909 9.9512 9.9512 11.2873 11.2873 11.4018 11.4018 k = 0.0000 0.0000 0.5047 ( 3221 PWs) bands (ev): -40.2452 -40.2452 -40.2087 -40.2087 -19.2823 -19.2823 -19.2022 -19.2022 -18.8112 -18.8112 -18.7579 -18.7579 -18.6996 -18.6996 -18.6147 -18.6147 1.5695 1.5695 6.3261 6.3261 7.1548 7.1548 7.3184 7.3184 7.6020 7.6020 8.2183 8.2183 8.9032 8.9032 10.0015 10.0015 11.2449 11.2449 11.4073 11.4073 k = 0.0000 0.0000 0.4873 ( 3221 PWs) bands (ev): -40.2469 -40.2469 -40.2090 -40.2090 -19.2815 -19.2815 -19.1980 -19.1980 -18.8104 -18.8104 -18.7548 -18.7548 -18.6969 -18.6969 -18.6114 -18.6114 1.4871 1.4871 6.2606 6.2606 7.1300 7.1300 7.4591 7.4591 7.5424 7.5424 8.2406 8.2406 8.9133 8.9133 10.0510 10.0510 11.2081 11.2081 11.4146 11.4149 k = 0.0000 0.0000 0.4699 ( 3223 PWs) bands (ev): -40.2486 -40.2486 -40.2094 -40.2094 -19.2809 -19.2809 -19.1939 -19.1939 -18.8099 -18.8099 -18.7516 -18.7516 -18.6939 -18.6939 -18.6080 -18.6080 1.4074 1.4074 6.1965 6.1965 7.1054 7.1054 7.4836 7.4836 7.5950 7.5950 8.2624 8.2624 8.9212 8.9212 10.0998 10.0998 11.1786 11.1786 11.3859 11.3859 k = 0.0000 0.0000 0.4525 ( 3219 PWs) bands (ev): -40.2503 -40.2503 -40.2098 -40.2098 -19.2803 -19.2803 -19.1900 -19.1900 -18.8095 -18.8095 -18.7482 -18.7482 -18.6907 -18.6907 -18.6045 -18.6045 1.3304 1.3304 6.1341 6.1341 7.0811 7.0811 7.4258 7.4258 7.7249 7.7249 8.2837 8.2837 8.9268 8.9268 10.1477 10.1477 11.1579 11.1579 11.3243 11.3243 k = 0.0000 0.0000 0.4351 ( 3227 PWs) bands (ev): -40.2520 -40.2520 -40.2102 -40.2102 -19.2797 -19.2797 -19.1862 -19.1862 -18.8093 -18.8093 -18.7447 -18.7447 -18.6873 -18.6873 -18.6009 -18.6009 1.2562 1.2562 6.0734 6.0734 7.0572 7.0572 7.3691 7.3691 7.8474 7.8474 8.3044 8.3044 8.9304 8.9304 10.1947 10.1947 11.1474 11.1474 11.2663 11.2663 k = 0.0000 0.0000 0.4177 ( 3233 PWs) bands (ev): -40.2536 -40.2536 -40.2106 -40.2106 -19.2793 -19.2793 -19.1826 -19.1826 -18.8093 -18.8093 -18.7409 -18.7409 -18.6839 -18.6839 -18.5972 -18.5972 1.1847 1.1847 6.0147 6.0147 7.0336 7.0336 7.3137 7.3137 7.9615 7.9615 8.3245 8.3245 8.9318 8.9318 10.2411 10.2411 11.1484 11.1484 11.2127 11.2127 k = 0.0000 0.0000 0.4003 ( 3237 PWs) bands (ev): -40.2552 -40.2552 -40.2111 -40.2111 -19.2789 -19.2789 -19.1791 -19.1791 -18.8095 -18.8095 -18.7370 -18.7370 -18.6804 -18.6804 -18.5933 -18.5933 1.1159 1.1159 5.9580 5.9580 7.0105 7.0105 7.2595 7.2595 8.0656 8.0656 8.3440 8.3440 8.9311 8.9311 10.2874 10.2874 11.1601 11.1601 11.1652 11.1652 k = 0.0000 0.0000 0.3829 ( 3243 PWs) bands (ev): -40.2568 -40.2568 -40.2115 -40.2115 -19.2786 -19.2786 -19.1758 -19.1758 -18.8099 -18.8099 -18.7329 -18.7329 -18.6769 -18.6769 -18.5893 -18.5893 1.0499 1.0499 5.9032 5.9032 6.9880 6.9880 7.2068 7.2068 8.1588 8.1588 8.3627 8.3627 8.9286 8.9286 10.3340 10.3340 11.1182 11.1182 11.1886 11.1886 k = 0.0000 0.0000 0.3655 ( 3235 PWs) bands (ev): -40.2584 -40.2584 -40.2120 -40.2120 -19.2783 -19.2783 -19.1727 -19.1727 -18.8103 -18.8103 -18.7286 -18.7286 -18.6735 -18.6735 -18.5852 -18.5852 0.9868 0.9868 5.8506 5.8506 6.9660 6.9660 7.1556 7.1556 8.2400 8.2400 8.3808 8.3808 8.9242 8.9242 10.3817 10.3817 11.0774 11.0774 11.2285 11.2285 k = 0.0000 0.0000 0.3481 ( 3243 PWs) bands (ev): -40.2599 -40.2599 -40.2124 -40.2124 -19.2781 -19.2781 -19.1697 -19.1697 -18.8109 -18.8109 -18.7242 -18.7242 -18.6702 -18.6702 -18.5810 -18.5810 0.9264 0.9264 5.8001 5.8001 6.9446 6.9446 7.1061 7.1061 8.3086 8.3086 8.3981 8.3981 8.9181 8.9181 10.4309 10.4309 11.0408 11.0408 11.2816 11.2816 k = 0.0000 0.0000 0.3307 ( 3243 PWs) bands (ev): -40.2614 -40.2614 -40.2129 -40.2129 -19.2780 -19.2780 -19.1670 -19.1670 -18.8116 -18.8116 -18.7197 -18.7197 -18.6670 -18.6670 -18.5767 -18.5767 0.8689 0.8689 5.7519 5.7519 6.9239 6.9239 7.0583 7.0583 8.3647 8.3647 8.4147 8.4147 8.9104 8.9104 10.4818 10.4818 11.0080 11.0080 11.3478 11.3478 k = 0.0000 0.0000 0.3133 ( 3239 PWs) bands (ev): -40.2628 -40.2628 -40.2134 -40.2134 -19.2780 -19.2780 -19.1643 -19.1643 -18.8124 -18.8124 -18.7151 -18.7151 -18.6639 -18.6639 -18.5723 -18.5723 0.8142 0.8142 5.7058 5.7058 6.9040 6.9040 7.0124 7.0124 8.4083 8.4083 8.4310 8.4310 8.9015 8.9015 10.5343 10.5343 10.9791 10.9791 11.4265 11.4265 k = 0.0000 0.0000 0.2959 ( 3235 PWs) bands (ev): -40.2641 -40.2641 -40.2138 -40.2138 -19.2779 -19.2779 -19.1619 -19.1619 -18.8131 -18.8131 -18.7106 -18.7106 -18.6611 -18.6611 -18.5679 -18.5679 0.7624 0.7624 5.6621 5.6621 6.8848 6.8848 6.9683 6.9683 8.4381 8.4381 8.4488 8.4488 8.8913 8.8913 10.5881 10.5881 10.9538 10.9538 11.5170 11.5170 k = 0.0000 0.0000 0.2785 ( 3235 PWs) bands (ev): -40.2655 -40.2655 -40.2143 -40.2143 -19.2780 -19.2780 -19.1596 -19.1596 -18.8140 -18.8140 -18.7060 -18.7060 -18.6584 -18.6584 -18.5635 -18.5635 0.7134 0.7134 5.6206 5.6206 6.8665 6.8665 6.9263 6.9263 8.4555 8.4555 8.4681 8.4681 8.8802 8.8802 10.6422 10.6422 10.9317 10.9317 11.6184 11.6194 k = 0.0000 0.0000 0.2611 ( 3235 PWs) bands (ev): -40.2667 -40.2667 -40.2147 -40.2147 -19.2781 -19.2781 -19.1575 -19.1575 -18.8148 -18.8148 -18.7015 -18.7015 -18.6559 -18.6559 -18.5591 -18.5591 0.6674 0.6674 5.5815 5.5815 6.8490 6.8490 6.8865 6.8865 8.4688 8.4688 8.4819 8.4819 8.8684 8.8684 10.6960 10.6960 10.9128 10.9128 11.6781 11.6788 k = 0.0000 0.0000 0.2437 ( 3235 PWs) bands (ev): -40.2679 -40.2679 -40.2151 -40.2151 -19.2782 -19.2782 -19.1556 -19.1556 -18.8157 -18.8157 -18.6972 -18.6972 -18.6536 -18.6536 -18.5548 -18.5548 0.6242 0.6242 5.5448 5.5448 6.8322 6.8322 6.8489 6.8489 8.4799 8.4799 8.4897 8.4897 8.8561 8.8561 10.7487 10.7487 10.8967 10.8967 11.7085 11.7175 k = 0.0000 0.0000 0.2263 ( 3231 PWs) bands (ev): -40.2690 -40.2690 -40.2155 -40.2155 -19.2783 -19.2783 -19.1538 -19.1538 -18.8165 -18.8165 -18.6929 -18.6929 -18.6515 -18.6515 -18.5505 -18.5505 0.5840 0.5840 5.5105 5.5105 6.8118 6.8118 6.8183 6.8183 8.4856 8.4856 8.4962 8.4962 8.8435 8.8435 10.7992 10.7992 10.8836 10.8836 11.7252 11.7259 k = 0.0000 0.0000 0.2088 ( 3227 PWs) bands (ev): -40.2701 -40.2701 -40.2159 -40.2159 -19.2785 -19.2785 -19.1522 -19.1522 -18.8173 -18.8173 -18.6888 -18.6888 -18.6495 -18.6495 -18.5464 -18.5464 0.5467 0.5467 5.4786 5.4786 6.7796 6.7796 6.8029 6.8029 8.4836 8.4836 8.5051 8.5051 8.8308 8.8308 10.8448 10.8448 10.8755 10.8755 11.7341 11.7342 k = 0.0000 0.0000 0.1914 ( 3231 PWs) bands (ev): -40.2711 -40.2711 -40.2163 -40.2163 -19.2786 -19.2786 -19.1508 -19.1508 -18.8181 -18.8181 -18.6850 -18.6850 -18.6478 -18.6478 -18.5425 -18.5425 0.5123 0.5123 5.4491 5.4491 6.7489 6.7489 6.7892 6.7892 8.4771 8.4771 8.5140 8.5140 8.8184 8.8184 10.8575 10.8575 10.8993 10.8993 11.7438 11.7438 k = 0.0000 0.0000 0.1740 ( 3227 PWs) bands (ev): -40.2720 -40.2720 -40.2166 -40.2166 -19.2788 -19.2788 -19.1494 -19.1494 -18.8189 -18.8189 -18.6814 -18.6814 -18.6462 -18.6462 -18.5387 -18.5387 0.4809 0.4809 5.4222 5.4222 6.7207 6.7207 6.7767 6.7767 8.4682 8.4682 8.5223 8.5223 8.8063 8.8063 10.8516 10.8516 10.9407 10.9407 11.7541 11.7541 k = 0.0000 0.0000 0.1566 ( 3235 PWs) bands (ev): -40.2728 -40.2728 -40.2169 -40.2169 -19.2790 -19.2790 -19.1483 -19.1483 -18.8196 -18.8196 -18.6780 -18.6780 -18.6448 -18.6448 -18.5352 -18.5352 0.4524 0.4524 5.3978 5.3978 6.6949 6.6949 6.7653 6.7653 8.4578 8.4578 8.5298 8.5298 8.7948 8.7948 10.8456 10.8456 10.9801 10.9801 11.7648 11.7648 k = 0.0000 0.0000 0.1392 ( 3235 PWs) bands (ev): -40.2735 -40.2735 -40.2172 -40.2172 -19.2792 -19.2792 -19.1473 -19.1473 -18.8202 -18.8202 -18.6749 -18.6749 -18.6435 -18.6435 -18.5320 -18.5320 0.4269 0.4269 5.3758 5.3758 6.6716 6.6716 6.7551 6.7551 8.4467 8.4467 8.5365 8.5365 8.7840 8.7840 10.8408 10.8408 11.0162 11.0162 11.7757 11.7757 k = 0.0000 0.0000 0.1218 ( 3229 PWs) bands (ev): -40.2742 -40.2742 -40.2175 -40.2175 -19.2794 -19.2794 -19.1463 -19.1463 -18.8208 -18.8208 -18.6722 -18.6722 -18.6424 -18.6424 -18.5291 -18.5291 0.4044 0.4044 5.3565 5.3565 6.6510 6.6510 6.7460 6.7460 8.4357 8.4357 8.5424 8.5424 8.7742 8.7742 10.8368 10.8368 11.0486 11.0486 11.7864 11.7864 k = 0.0000 0.0000 0.1044 ( 3233 PWs) bands (ev): -40.2748 -40.2748 -40.2177 -40.2177 -19.2795 -19.2795 -19.1456 -19.1456 -18.8213 -18.8213 -18.6697 -18.6697 -18.6415 -18.6415 -18.5266 -18.5266 0.3849 0.3849 5.3396 5.3396 6.6331 6.6331 6.7381 6.7381 8.4251 8.4251 8.5474 8.5474 8.7653 8.7653 10.8337 10.8337 11.0772 11.0772 11.7967 11.7967 k = 0.0000 0.0000 0.0870 ( 3227 PWs) bands (ev): -40.2753 -40.2753 -40.2179 -40.2179 -19.2797 -19.2797 -19.1449 -19.1449 -18.8217 -18.8217 -18.6677 -18.6677 -18.6406 -18.6406 -18.5244 -18.5244 0.3683 0.3683 5.3255 5.3255 6.6178 6.6178 6.7313 6.7313 8.4156 8.4156 8.5517 8.5517 8.7577 8.7577 10.8314 10.8314 11.1016 11.1016 11.8061 11.8062 k = 0.0000 0.0000 0.0696 ( 3227 PWs) bands (ev): -40.2757 -40.2757 -40.2181 -40.2181 -19.2798 -19.2798 -19.1444 -19.1444 -18.8220 -18.8220 -18.6659 -18.6659 -18.6399 -18.6399 -18.5225 -18.5225 0.3548 0.3548 5.3138 5.3138 6.6053 6.6053 6.7258 6.7258 8.4073 8.4073 8.5551 8.5551 8.7513 8.7513 10.8296 10.8296 11.1219 11.1219 11.8144 11.8145 k = 0.0000 0.0000 0.0522 ( 3227 PWs) bands (ev): -40.2760 -40.2760 -40.2182 -40.2182 -19.2799 -19.2799 -19.1440 -19.1440 -18.8223 -18.8223 -18.6646 -18.6646 -18.6394 -18.6394 -18.5211 -18.5211 0.3443 0.3443 5.3047 5.3047 6.5955 6.5955 6.7215 6.7215 8.4007 8.4007 8.5578 8.5578 8.7462 8.7462 10.8283 10.8283 11.1377 11.1377 11.8213 11.8213 k = 0.0000 0.0000 0.0348 ( 3223 PWs) bands (ev): -40.2762 -40.2762 -40.2183 -40.2183 -19.2799 -19.2799 -19.1437 -19.1437 -18.8225 -18.8225 -18.6636 -18.6636 -18.6390 -18.6390 -18.5200 -18.5200 0.3368 0.3368 5.2982 5.2982 6.5885 6.5885 6.7184 6.7184 8.3957 8.3957 8.5597 8.5597 8.7425 8.7425 10.8275 10.8275 11.1492 11.1492 11.8264 11.8264 k = 0.0000 0.0000 0.0174 ( 3215 PWs) bands (ev): -40.2763 -40.2763 -40.2183 -40.2183 -19.2799 -19.2799 -19.1435 -19.1435 -18.8226 -18.8226 -18.6630 -18.6630 -18.6388 -18.6388 -18.5194 -18.5194 0.3322 0.3322 5.2943 5.2943 6.5844 6.5844 6.7166 6.7166 8.3928 8.3928 8.5608 8.5608 8.7403 8.7403 10.8270 10.8270 11.1561 11.1561 11.8296 11.8296 k = 0.0000 0.0000 0.0000 ( 3215 PWs) bands (ev): -40.2764 -40.2764 -40.2184 -40.2184 -19.2800 -19.2800 -19.1435 -19.1435 -18.8227 -18.8227 -18.6628 -18.6628 -18.6387 -18.6387 -18.5192 -18.5192 0.3307 0.3307 5.2930 5.2930 6.5830 6.5830 6.7159 6.7159 8.3917 8.3917 8.5612 8.5612 8.7396 8.7396 10.8268 10.8268 11.1584 11.1584 11.8307 11.8307 k = 0.0000 0.0000 0.0000 ( 3215 PWs) bands (ev): -40.2764 -40.2764 -40.2184 -40.2184 -19.2800 -19.2800 -19.1435 -19.1435 -18.8227 -18.8227 -18.6628 -18.6628 -18.6387 -18.6387 -18.5192 -18.5192 0.3307 0.3307 5.2930 5.2930 6.5830 6.5830 6.7159 6.7159 8.3917 8.3917 8.5612 8.5612 8.7396 8.7396 10.8268 10.8268 11.1584 11.1584 11.8307 11.8307 k =-0.0156 0.0079 0.0000 ( 3215 PWs) bands (ev): -40.2764 -40.2764 -40.2184 -40.2184 -19.2799 -19.2799 -19.1435 -19.1435 -18.8226 -18.8226 -18.6629 -18.6629 -18.6387 -18.6387 -18.5192 -18.5192 0.3318 0.3318 5.2824 5.2824 6.5951 6.5951 6.7159 6.7159 8.3886 8.3886 8.5620 8.5620 8.7394 8.7394 10.8259 10.8259 11.1585 11.1585 11.8274 11.8274 k =-0.0312 0.0159 0.0000 ( 3217 PWs) bands (ev): -40.2763 -40.2763 -40.2184 -40.2184 -19.2798 -19.2798 -19.1437 -19.1437 -18.8224 -18.8224 -18.6631 -18.6631 -18.6385 -18.6385 -18.5193 -18.5193 0.3351 0.3351 5.2518 5.2518 6.6302 6.6302 6.7159 6.7159 8.3792 8.3792 8.5643 8.5643 8.7391 8.7391 10.8232 10.8232 11.1591 11.1591 11.8186 11.8186 k =-0.0469 0.0238 0.0000 ( 3233 PWs) bands (ev): -40.2763 -40.2763 -40.2185 -40.2185 -19.2795 -19.2795 -19.1441 -19.1441 -18.8221 -18.8221 -18.6635 -18.6635 -18.6383 -18.6383 -18.5196 -18.5196 0.3405 0.3405 5.2041 5.2041 6.6853 6.6853 6.7159 6.7159 8.3635 8.3635 8.5680 8.5680 8.7388 8.7388 10.8187 10.8187 11.1599 11.1599 11.8060 11.8060 k =-0.0625 0.0318 0.0000 ( 3241 PWs) bands (ev): -40.2762 -40.2762 -40.2186 -40.2186 -19.2792 -19.2792 -19.1445 -19.1445 -18.8217 -18.8217 -18.6641 -18.6641 -18.6380 -18.6380 -18.5199 -18.5199 0.3480 0.3480 5.1430 5.1430 6.7155 6.7155 6.7572 6.7572 8.3415 8.3415 8.5733 8.5733 8.7390 8.7390 10.8128 10.8128 11.1611 11.1611 11.7912 11.7912 k =-0.0781 0.0397 0.0000 ( 3245 PWs) bands (ev): -40.2761 -40.2761 -40.2187 -40.2187 -19.2787 -19.2787 -19.1450 -19.1450 -18.8211 -18.8211 -18.6647 -18.6647 -18.6377 -18.6377 -18.5202 -18.5202 0.3577 0.3577 5.0721 5.0721 6.7155 6.7155 6.8414 6.8414 8.3132 8.3132 8.5800 8.5800 8.7401 8.7401 10.8055 10.8055 11.1626 11.1626 11.7752 11.7752 k =-0.0938 0.0477 0.0000 ( 3243 PWs) bands (ev): -40.2759 -40.2759 -40.2188 -40.2188 -19.2781 -19.2781 -19.1457 -19.1457 -18.8204 -18.8204 -18.6655 -18.6655 -18.6372 -18.6372 -18.5207 -18.5207 0.3693 0.3693 4.9942 4.9942 6.7154 6.7154 6.9355 6.9355 8.2790 8.2790 8.5881 8.5881 8.7425 8.7425 10.7971 10.7971 11.1644 11.1644 11.7586 11.7586 k =-0.1094 0.0556 0.0000 ( 3247 PWs) bands (ev): -40.2758 -40.2758 -40.2190 -40.2190 -19.2775 -19.2775 -19.1464 -19.1464 -18.8195 -18.8195 -18.6663 -18.6663 -18.6368 -18.6368 -18.5211 -18.5211 0.3830 0.3830 4.9117 4.9117 6.7152 6.7152 7.0370 7.0370 8.2394 8.2394 8.5975 8.5975 8.7463 8.7463 10.7879 10.7879 11.1664 11.1664 11.7417 11.7417 k =-0.1250 0.0635 0.0000 ( 3247 PWs) bands (ev): -40.2756 -40.2756 -40.2191 -40.2191 -19.2767 -19.2767 -19.1473 -19.1473 -18.8186 -18.8186 -18.6673 -18.6673 -18.6362 -18.6362 -18.5217 -18.5217 0.3986 0.3986 4.8261 4.8261 6.7150 6.7150 7.1440 7.1440 8.1949 8.1949 8.6083 8.6083 8.7517 8.7517 10.7781 10.7781 11.1687 11.1687 11.7248 11.7248 k =-0.1406 0.0715 0.0000 ( 3249 PWs) bands (ev): -40.2754 -40.2754 -40.2193 -40.2193 -19.2759 -19.2759 -19.1483 -19.1483 -18.8175 -18.8175 -18.6683 -18.6683 -18.6356 -18.6356 -18.5223 -18.5223 0.4161 0.4161 4.7389 4.7389 6.7148 6.7148 7.2551 7.2551 8.1463 8.1463 8.6202 8.6202 8.7588 8.7588 10.7679 10.7679 11.1711 11.1711 11.7081 11.7081 k =-0.1562 0.0794 0.0000 ( 3245 PWs) bands (ev): -40.2752 -40.2752 -40.2195 -40.2195 -19.2749 -19.2749 -19.1493 -19.1493 -18.8164 -18.8164 -18.6695 -18.6695 -18.6350 -18.6350 -18.5230 -18.5230 0.4353 0.4353 4.6509 4.6509 6.7146 6.7146 7.3691 7.3691 8.0943 8.0943 8.6334 8.6334 8.7673 8.7673 10.7578 10.7578 11.1737 11.1737 11.6916 11.6916 k =-0.1719 0.0874 0.0000 ( 3235 PWs) bands (ev): -40.2750 -40.2750 -40.2198 -40.2198 -19.2739 -19.2739 -19.1504 -19.1504 -18.8151 -18.8151 -18.6707 -18.6707 -18.6342 -18.6342 -18.5237 -18.5237 0.4562 0.4562 4.5628 4.5628 6.7144 6.7144 7.4849 7.4849 8.0399 8.0399 8.6475 8.6475 8.7775 8.7775 10.7480 10.7480 11.1764 11.1764 11.6754 11.6754 k =-0.1875 0.0953 0.0000 ( 3239 PWs) bands (ev): -40.2747 -40.2747 -40.2200 -40.2200 -19.2728 -19.2728 -19.1516 -19.1516 -18.8138 -18.8138 -18.6720 -18.6720 -18.6335 -18.6335 -18.5245 -18.5245 0.4787 0.4787 4.4754 4.4754 6.7141 6.7141 7.6017 7.6017 7.9836 7.9836 8.6627 8.6627 8.7891 8.7891 10.7388 10.7388 11.1791 11.1791 11.6597 11.6597 k =-0.2031 0.1033 0.0000 ( 3239 PWs) bands (ev): -40.2745 -40.2745 -40.2203 -40.2203 -19.2717 -19.2717 -19.1529 -19.1529 -18.8123 -18.8123 -18.6734 -18.6734 -18.6328 -18.6328 -18.5253 -18.5253 0.5025 0.5025 4.3889 4.3889 6.7139 6.7139 7.7184 7.7184 7.9266 7.9266 8.6787 8.6787 8.8020 8.8020 10.7306 10.7306 11.1819 11.1819 11.6444 11.6444 k =-0.2188 0.1112 0.0000 ( 3235 PWs) bands (ev): -40.2742 -40.2742 -40.2205 -40.2205 -19.2705 -19.2705 -19.1542 -19.1542 -18.8109 -18.8109 -18.6748 -18.6748 -18.6320 -18.6320 -18.5261 -18.5261 0.5276 0.5276 4.3040 4.3040 6.7136 6.7136 7.8286 7.8286 7.8750 7.8750 8.6955 8.6955 8.8163 8.8163 10.7237 10.7237 11.1847 11.1847 11.6297 11.6297 k =-0.2344 0.1191 0.0000 ( 3237 PWs) bands (ev): -40.2740 -40.2740 -40.2208 -40.2208 -19.2692 -19.2692 -19.1556 -19.1556 -18.8093 -18.8093 -18.6762 -18.6762 -18.6313 -18.6313 -18.5269 -18.5269 0.5538 0.5538 4.2208 4.2208 6.7133 6.7133 7.8070 7.8070 7.9540 7.9540 8.7129 8.7129 8.8318 8.8318 10.7186 10.7186 11.1873 11.1873 11.6155 11.6156 k =-0.2500 0.1271 0.0000 ( 3233 PWs) bands (ev): -40.2737 -40.2737 -40.2211 -40.2211 -19.2679 -19.2679 -19.1570 -19.1570 -18.8078 -18.8078 -18.6777 -18.6777 -18.6306 -18.6306 -18.5278 -18.5278 0.5810 0.5810 4.1397 4.1397 6.7130 6.7130 7.7510 7.7510 8.0660 8.0660 8.7307 8.7307 8.8486 8.8486 10.7157 10.7157 11.1900 11.1900 11.6020 11.6020 k =-0.2656 0.1350 0.0000 ( 3233 PWs) bands (ev): -40.2734 -40.2734 -40.2214 -40.2214 -19.2666 -19.2666 -19.1584 -19.1584 -18.8062 -18.8062 -18.6792 -18.6792 -18.6298 -18.6298 -18.5286 -18.5286 0.6088 0.6088 4.0611 4.0611 6.7127 6.7127 7.6953 7.6953 8.1756 8.1756 8.7489 8.7489 8.8668 8.8668 10.7155 10.7155 11.1924 11.1924 11.5891 11.5891 k =-0.2812 0.1430 0.0000 ( 3233 PWs) bands (ev): -40.2731 -40.2731 -40.2217 -40.2217 -19.2653 -19.2653 -19.1599 -19.1599 -18.8045 -18.8045 -18.6808 -18.6808 -18.6291 -18.6291 -18.5295 -18.5295 0.6371 0.6371 3.9852 3.9852 6.7124 6.7124 7.6413 7.6413 8.2810 8.2810 8.7672 8.7672 8.8864 8.8864 10.7186 10.7186 11.1948 11.1948 11.5769 11.5769 k =-0.2969 0.1509 0.0000 ( 3235 PWs) bands (ev): -40.2728 -40.2728 -40.2219 -40.2219 -19.2639 -19.2639 -19.1614 -19.1614 -18.8029 -18.8029 -18.6823 -18.6823 -18.6284 -18.6284 -18.5304 -18.5304 0.6656 0.6656 3.9122 3.9122 6.7122 6.7122 7.5892 7.5892 8.3810 8.3810 8.7854 8.7854 8.9076 8.9076 10.7253 10.7253 11.1969 11.1969 11.5654 11.5654 k =-0.3125 0.1589 0.0000 ( 3235 PWs) bands (ev): -40.2726 -40.2726 -40.2222 -40.2222 -19.2626 -19.2626 -19.1628 -19.1628 -18.8013 -18.8013 -18.6839 -18.6839 -18.6277 -18.6277 -18.5312 -18.5312 0.6940 0.6940 3.8427 3.8427 6.7119 6.7119 7.5397 7.5397 8.4742 8.4742 8.8034 8.8034 8.9305 8.9305 10.7364 10.7364 11.1989 11.1989 11.5547 11.5547 k =-0.3281 0.1668 0.0000 ( 3231 PWs) bands (ev): -40.2723 -40.2723 -40.2225 -40.2225 -19.2612 -19.2612 -19.1642 -19.1642 -18.7997 -18.7997 -18.6854 -18.6854 -18.6270 -18.6270 -18.5320 -18.5320 0.7222 0.7222 3.7768 3.7768 6.7117 6.7117 7.4930 7.4930 8.5593 8.5593 8.8211 8.8211 8.9556 8.9556 10.7523 10.7523 11.2007 11.2007 11.5447 11.5447 k =-0.3438 0.1747 0.0000 ( 3227 PWs) bands (ev): -40.2720 -40.2720 -40.2227 -40.2227 -19.2599 -19.2599 -19.1656 -19.1656 -18.7981 -18.7981 -18.6868 -18.6868 -18.6264 -18.6264 -18.5328 -18.5328 0.7496 0.7496 3.7148 3.7148 6.7114 6.7114 7.4494 7.4494 8.6349 8.6349 8.8382 8.8382 8.9833 8.9833 10.7732 10.7732 11.2023 11.2023 11.5355 11.5355 k =-0.3594 0.1827 0.0000 ( 3223 PWs) bands (ev): -40.2718 -40.2718 -40.2230 -40.2230 -19.2587 -19.2587 -19.1669 -19.1669 -18.7966 -18.7966 -18.6882 -18.6882 -18.6257 -18.6257 -18.5335 -18.5335 0.7760 0.7760 3.6572 3.6572 6.7112 6.7112 7.4093 7.4093 8.6998 8.6998 8.8544 8.8544 9.0134 9.0134 10.7995 10.7995 11.2037 11.2037 11.5271 11.5271 k =-0.3750 0.1906 0.0000 ( 3224 PWs) bands (ev): -40.2716 -40.2716 -40.2232 -40.2232 -19.2575 -19.2575 -19.1682 -19.1682 -18.7952 -18.7952 -18.6895 -18.6895 -18.6252 -18.6252 -18.5342 -18.5342 0.8011 0.8011 3.6042 3.6042 6.7110 6.7110 7.3727 7.3727 8.7538 8.7538 8.8696 8.8696 9.0455 9.0455 10.8308 10.8308 11.2049 11.2049 11.5196 11.5196 k =-0.3906 0.1986 0.0000 ( 3226 PWs) bands (ev): -40.2714 -40.2714 -40.2234 -40.2234 -19.2564 -19.2564 -19.1694 -19.1694 -18.7939 -18.7939 -18.6908 -18.6908 -18.6247 -18.6247 -18.5349 -18.5349 0.8244 0.8244 3.5563 3.5563 6.7108 6.7108 7.3401 7.3401 8.7973 8.7973 8.8836 8.8836 9.0785 9.0785 10.8667 10.8667 11.2059 11.2059 11.5129 11.5129 k =-0.4062 0.2065 0.0000 ( 3226 PWs) bands (ev): -40.2712 -40.2712 -40.2236 -40.2236 -19.2554 -19.2554 -19.1704 -19.1704 -18.7927 -18.7927 -18.6919 -18.6919 -18.6242 -18.6242 -18.5354 -18.5354 0.8456 0.8456 3.5138 3.5138 6.7106 6.7106 7.3113 7.3113 8.8315 8.8315 8.8963 8.8963 9.1106 9.1106 10.9062 10.9062 11.2067 11.2067 11.5071 11.5071 k =-0.4219 0.2145 0.0000 ( 3232 PWs) bands (ev): -40.2710 -40.2710 -40.2237 -40.2237 -19.2546 -19.2546 -19.1714 -19.1714 -18.7917 -18.7917 -18.6929 -18.6929 -18.6238 -18.6238 -18.5359 -18.5359 0.8642 0.8642 3.4771 3.4771 6.7105 6.7105 7.2868 7.2868 8.8580 8.8580 8.9073 8.9073 9.1400 9.1400 10.9476 10.9476 11.2074 11.2074 11.5022 11.5022 k =-0.4375 0.2224 0.0000 ( 3232 PWs) bands (ev): -40.2709 -40.2709 -40.2239 -40.2239 -19.2538 -19.2538 -19.1722 -19.1722 -18.7908 -18.7908 -18.6937 -18.6937 -18.6235 -18.6235 -18.5364 -18.5364 0.8801 0.8801 3.4466 3.4466 6.7104 6.7104 7.2666 7.2666 8.8782 8.8782 8.9166 8.9166 9.1653 9.1653 10.9886 10.9886 11.2078 11.2078 11.4981 11.4981 k =-0.4531 0.2303 0.0000 ( 3226 PWs) bands (ev): -40.2708 -40.2708 -40.2240 -40.2240 -19.2532 -19.2532 -19.1728 -19.1728 -18.7901 -18.7901 -18.6944 -18.6944 -18.6232 -18.6232 -18.5367 -18.5367 0.8928 0.8928 3.4224 3.4224 6.7103 6.7103 7.2508 7.2508 8.8931 8.8931 8.9241 8.9241 9.1856 9.1856 11.0263 11.0263 11.2082 11.2082 11.4950 11.4950 k =-0.4688 0.2383 0.0000 ( 3232 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2528 -19.2528 -19.1733 -19.1733 -18.7896 -18.7896 -18.6949 -18.6949 -18.6230 -18.6230 -18.5369 -18.5369 0.9020 0.9020 3.4050 3.4050 6.7103 6.7103 7.2394 7.2394 8.9033 8.9033 8.9294 8.9294 9.2003 9.2003 11.0572 11.0572 11.2084 11.2084 11.4927 11.4927 k =-0.4844 0.2462 0.0000 ( 3228 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2525 -19.2525 -19.1735 -19.1735 -18.7892 -18.7892 -18.6952 -18.6952 -18.6229 -18.6229 -18.5371 -18.5371 0.9077 0.9077 3.3945 3.3945 6.7102 6.7102 7.2326 7.2326 8.9093 8.9093 8.9327 8.9327 9.2092 9.2092 11.0776 11.0776 11.2085 11.2085 11.4914 11.4914 k =-0.5000 0.2542 0.0000 ( 3236 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2524 -19.2524 -19.1736 -19.1736 -18.7891 -18.7891 -18.6953 -18.6953 -18.6228 -18.6228 -18.5372 -18.5372 0.9096 0.9096 3.3909 3.3909 6.7102 6.7102 7.2303 7.2303 8.9113 8.9113 8.9338 8.9338 9.2121 9.2121 11.0847 11.0847 11.2085 11.2085 11.4909 11.4909 k =-0.5000 0.2542 0.0000 ( 3236 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2524 -19.2524 -19.1736 -19.1736 -18.7891 -18.7891 -18.6953 -18.6953 -18.6228 -18.6228 -18.5372 -18.5372 0.9096 0.9096 3.3909 3.3909 6.7102 6.7102 7.2303 7.2303 8.9113 8.9113 8.9338 8.9338 9.2121 9.2121 11.0847 11.0847 11.2085 11.2085 11.4909 11.4909 k =-0.4923 0.2694-0.0000 ( 3240 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2524 -19.2524 -19.1736 -19.1736 -18.7892 -18.7892 -18.6953 -18.6953 -18.6229 -18.6229 -18.5371 -18.5371 0.9102 0.9102 3.3924 3.3924 6.6923 6.6923 7.2451 7.2451 8.9099 8.9099 8.9326 8.9326 9.2160 9.2160 11.0841 11.0841 11.2072 11.2072 11.4918 11.4918 k =-0.4846 0.2846-0.0000 ( 3240 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2525 -19.2525 -19.1736 -19.1736 -18.7892 -18.7892 -18.6953 -18.6953 -18.6229 -18.6229 -18.5371 -18.5371 0.9122 0.9122 3.3966 3.3966 6.6439 6.6439 7.2843 7.2843 8.9059 8.9059 8.9293 8.9293 9.2275 9.2275 11.0821 11.0821 11.2033 11.2033 11.4944 11.4944 k =-0.4768 0.2998-0.0000 ( 3240 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2526 -19.2526 -19.1735 -19.1735 -18.7894 -18.7894 -18.6952 -18.6952 -18.6229 -18.6229 -18.5370 -18.5370 0.9155 0.9155 3.4038 3.4038 6.5751 6.5751 7.3377 7.3377 8.8993 8.8993 8.9250 8.9250 9.2455 9.2455 11.0788 11.0788 11.1970 11.1970 11.4984 11.4984 k =-0.4691 0.3150-0.0000 ( 3244 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2528 -19.2528 -19.1735 -19.1735 -18.7895 -18.7895 -18.6951 -18.6951 -18.6230 -18.6230 -18.5369 -18.5369 0.9200 0.9200 3.4137 3.4137 6.4938 6.4938 7.3972 7.3972 8.8899 8.8899 8.9210 8.9210 9.2688 9.2688 11.0740 11.0740 11.1886 11.1886 11.5037 11.5037 k =-0.4614 0.3302-0.0000 ( 3244 PWs) bands (ev): -40.2707 -40.2707 -40.2240 -40.2240 -19.2530 -19.2530 -19.1733 -19.1733 -18.7897 -18.7897 -18.6950 -18.6950 -18.6231 -18.6231 -18.5368 -18.5368 0.9258 0.9258 3.4265 3.4265 6.4049 6.4049 7.4579 7.4579 8.8778 8.8778 8.9185 8.9185 9.2965 9.2965 11.0678 11.0678 11.1785 11.1785 11.5099 11.5099 k =-0.4537 0.3454-0.0000 ( 3258 PWs) bands (ev): -40.2708 -40.2708 -40.2240 -40.2240 -19.2532 -19.2532 -19.1732 -19.1732 -18.7900 -18.7900 -18.6949 -18.6949 -18.6232 -18.6232 -18.5367 -18.5367 0.9327 0.9327 3.4421 3.4421 6.3115 6.3115 7.5165 7.5165 8.8628 8.8628 8.9185 8.9185 9.3275 9.3275 11.0598 11.0598 11.1670 11.1670 11.5166 11.5166 k =-0.4459 0.3605-0.0000 ( 3258 PWs) bands (ev): -40.2708 -40.2708 -40.2240 -40.2240 -19.2535 -19.2535 -19.1731 -19.1731 -18.7902 -18.7902 -18.6947 -18.6947 -18.6233 -18.6233 -18.5366 -18.5366 0.9408 0.9408 3.4605 3.4605 6.2151 6.2151 7.5715 7.5715 8.8450 8.8450 8.9220 8.9220 9.3612 9.3612 11.0498 11.0498 11.1544 11.1544 11.5236 11.5236 k =-0.4382 0.3757-0.0000 ( 3252 PWs) bands (ev): -40.2709 -40.2709 -40.2239 -40.2239 -19.2538 -19.2538 -19.1729 -19.1729 -18.7906 -18.7906 -18.6944 -18.6944 -18.6235 -18.6235 -18.5363 -18.5363 0.9499 0.9499 3.4817 3.4817 6.1172 6.1172 7.6214 7.6214 8.8243 8.8243 8.9295 8.9295 9.3971 9.3971 11.0376 11.0376 11.1411 11.1411 11.5307 11.5307 k =-0.4305 0.3909-0.0000 ( 3248 PWs) bands (ev): -40.2709 -40.2709 -40.2238 -40.2238 -19.2541 -19.2541 -19.1727 -19.1727 -18.7909 -18.7909 -18.6942 -18.6942 -18.6236 -18.6236 -18.5361 -18.5361 0.9600 0.9600 3.5056 3.5056 6.0185 6.0185 7.6657 7.6657 8.8006 8.8006 8.9413 8.9413 9.4347 9.4347 11.0228 11.0228 11.1273 11.1273 11.5376 11.5376 k =-0.4228 0.4061-0.0000 ( 3242 PWs) bands (ev): -40.2710 -40.2710 -40.2238 -40.2238 -19.2545 -19.2545 -19.1724 -19.1724 -18.7913 -18.7913 -18.6939 -18.6939 -18.6237 -18.6237 -18.5359 -18.5359 0.9709 0.9709 3.5322 3.5322 5.9197 5.9197 7.7039 7.7039 8.7737 8.7737 8.9575 8.9575 9.4736 9.4736 11.0048 11.0048 11.1133 11.1133 11.5441 11.5442 k =-0.4150 0.4213-0.0000 ( 3238 PWs) bands (ev): -40.2710 -40.2710 -40.2237 -40.2237 -19.2549 -19.2549 -19.1722 -19.1722 -18.7917 -18.7917 -18.6936 -18.6936 -18.6239 -18.6239 -18.5356 -18.5356 0.9826 0.9826 3.5616 3.5616 5.8215 5.8215 7.7360 7.7360 8.7438 8.7438 8.9780 8.9780 9.5136 9.5136 10.9832 10.9832 11.0992 11.0992 11.5227 11.5232 k =-0.4073 0.4365-0.0000 ( 3234 PWs) bands (ev): -40.2711 -40.2711 -40.2236 -40.2236 -19.2553 -19.2553 -19.1719 -19.1719 -18.7922 -18.7922 -18.6933 -18.6933 -18.6241 -18.6241 -18.5353 -18.5353 0.9948 0.9948 3.5935 3.5935 5.7243 5.7243 7.7623 7.7623 8.7107 8.7107 9.0025 9.0025 9.5544 9.5544 10.9574 10.9574 11.0852 11.0852 11.4803 11.4804 k =-0.3996 0.4517-0.0000 ( 3229 PWs) bands (ev): -40.2712 -40.2712 -40.2236 -40.2236 -19.2557 -19.2557 -19.1715 -19.1715 -18.7926 -18.7926 -18.6930 -18.6930 -18.6243 -18.6243 -18.5350 -18.5350 1.0076 1.0076 3.6280 3.6280 5.6285 5.6285 7.7830 7.7830 8.6745 8.6745 9.0304 9.0304 9.5958 9.5958 10.9271 10.9271 11.0715 11.0715 11.4424 11.4424 k =-0.3919 0.4669-0.0000 ( 3229 PWs) bands (ev): -40.2713 -40.2713 -40.2235 -40.2235 -19.2562 -19.2562 -19.1712 -19.1712 -18.7932 -18.7932 -18.6926 -18.6926 -18.6244 -18.6244 -18.5347 -18.5347 1.0207 1.0207 3.6651 3.6651 5.5346 5.5346 7.7988 7.7988 8.6351 8.6351 9.0610 9.0610 9.6377 9.6377 10.8921 10.8921 11.0582 11.0582 11.4096 11.4096 k =-0.3841 0.4821-0.0000 ( 3229 PWs) bands (ev): -40.2714 -40.2714 -40.2234 -40.2234 -19.2567 -19.2567 -19.1709 -19.1709 -18.7937 -18.7937 -18.6922 -18.6922 -18.6247 -18.6247 -18.5344 -18.5344 1.0338 1.0338 3.7047 3.7047 5.4430 5.4430 7.8104 7.8104 8.5926 8.5926 9.0939 9.0939 9.6799 9.6799 10.8527 10.8527 11.0455 11.0455 11.3823 11.3823 k =-0.3764 0.4973-0.0000 ( 3239 PWs) bands (ev): -40.2714 -40.2714 -40.2233 -40.2233 -19.2573 -19.2573 -19.1705 -19.1705 -18.7944 -18.7944 -18.6918 -18.6918 -18.6249 -18.6249 -18.5341 -18.5341 1.0470 1.0470 3.7467 3.7467 5.3540 5.3540 7.8182 7.8182 8.5471 8.5471 9.1282 9.1282 9.7223 9.7223 10.8094 10.8094 11.0334 11.0334 11.3605 11.3605 k =-0.3687 0.5125-0.0000 ( 3243 PWs) bands (ev): -40.2715 -40.2715 -40.2232 -40.2232 -19.2579 -19.2579 -19.1701 -19.1701 -18.7950 -18.7950 -18.6914 -18.6914 -18.6252 -18.6252 -18.5338 -18.5338 1.0599 1.0599 3.7910 3.7910 5.2680 5.2680 7.8231 7.8231 8.4986 8.4986 9.1634 9.1634 9.7647 9.7647 10.7630 10.7630 11.0220 11.0220 11.3439 11.3439 k =-0.3610 0.5277-0.0000 ( 3239 PWs) bands (ev): -40.2716 -40.2716 -40.2231 -40.2231 -19.2585 -19.2585 -19.1697 -19.1697 -18.7956 -18.7956 -18.6909 -18.6909 -18.6254 -18.6254 -18.5334 -18.5334 1.0723 1.0723 3.8377 3.8377 5.1854 5.1854 7.8255 7.8255 8.4474 8.4474 9.1989 9.1989 9.8071 9.8071 10.7143 10.7143 11.0115 11.0115 11.3320 11.3320 k =-0.3532 0.5429-0.0000 ( 3231 PWs) bands (ev): -40.2717 -40.2717 -40.2230 -40.2230 -19.2590 -19.2590 -19.1692 -19.1692 -18.7963 -18.7963 -18.6904 -18.6904 -18.6257 -18.6257 -18.5330 -18.5330 1.0841 1.0841 3.8865 3.8865 5.1065 5.1065 7.8261 7.8261 8.3938 8.3938 9.2341 9.2341 9.8494 9.8494 10.6641 10.6641 11.0019 11.0019 11.3242 11.3242 k =-0.3455 0.5581-0.0000 ( 3223 PWs) bands (ev): -40.2719 -40.2719 -40.2228 -40.2228 -19.2596 -19.2596 -19.1687 -19.1687 -18.7969 -18.7969 -18.6899 -18.6899 -18.6259 -18.6259 -18.5326 -18.5326 1.0950 1.0950 3.9375 3.9375 5.0317 5.0317 7.8252 7.8252 8.3377 8.3377 9.2688 9.2688 9.8914 9.8914 10.6131 10.6131 10.9934 10.9934 11.3201 11.3201 k =-0.3378 0.5733-0.0000 ( 3231 PWs) bands (ev): -40.2720 -40.2720 -40.2227 -40.2227 -19.2603 -19.2603 -19.1683 -19.1683 -18.7976 -18.7976 -18.6894 -18.6894 -18.6262 -18.6262 -18.5322 -18.5322 1.1047 1.1047 3.9906 3.9906 4.9614 4.9614 7.8231 7.8231 8.2796 8.2796 9.3023 9.3023 9.9330 9.9330 10.5616 10.5616 10.9859 10.9859 11.3192 11.3192 k =-0.3301 0.5885-0.0000 ( 3227 PWs) bands (ev): -40.2721 -40.2721 -40.2226 -40.2226 -19.2609 -19.2609 -19.1678 -19.1678 -18.7984 -18.7984 -18.6888 -18.6888 -18.6265 -18.6265 -18.5318 -18.5318 1.1130 1.1130 4.0455 4.0455 4.8958 4.8958 7.8203 7.8203 8.2196 8.2196 9.3345 9.3345 9.9742 9.9742 10.5103 10.5103 10.9795 10.9795 11.3213 11.3213 k =-0.3223 0.6037-0.0000 ( 3239 PWs) bands (ev): -40.2722 -40.2722 -40.2225 -40.2225 -19.2616 -19.2616 -19.1673 -19.1673 -18.7991 -18.7991 -18.6883 -18.6883 -18.6268 -18.6268 -18.5314 -18.5314 1.1197 1.1197 4.1022 4.1022 4.8353 4.8353 7.8169 7.8169 8.1582 8.1582 9.3651 9.3651 10.0149 10.0149 10.4592 10.4592 10.9743 10.9743 11.3259 11.3259 k =-0.3146 0.6189-0.0000 ( 3243 PWs) bands (ev): -40.2723 -40.2723 -40.2223 -40.2223 -19.2622 -19.2622 -19.1668 -19.1668 -18.7999 -18.7999 -18.6877 -18.6877 -18.6271 -18.6271 -18.5310 -18.5310 1.1246 1.1246 4.1606 4.1606 4.7802 4.7802 7.8133 7.8133 8.0957 8.0957 9.3939 9.3939 10.0549 10.0549 10.4087 10.4087 10.9702 10.9702 11.3331 11.3331 k =-0.3146 0.6189-0.0000 ( 3243 PWs) bands (ev): -40.2723 -40.2723 -40.2223 -40.2223 -19.2622 -19.2622 -19.1668 -19.1668 -18.7999 -18.7999 -18.6877 -18.6877 -18.6271 -18.6271 -18.5310 -18.5310 1.1246 1.1246 4.1606 4.1606 4.7802 4.7802 7.8133 7.8133 8.0957 8.0957 9.3939 9.3939 10.0549 10.0549 10.4087 10.4087 10.9702 10.9702 11.3331 11.3331 k =-0.3146 0.6189 0.0174 ( 3251 PWs) bands (ev): -40.2723 -40.2723 -40.2223 -40.2223 -19.2623 -19.2623 -19.1668 -19.1668 -18.7999 -18.7999 -18.6878 -18.6878 -18.6273 -18.6273 -18.5312 -18.5312 1.1259 1.1259 4.1619 4.1619 4.7817 4.7817 7.8143 7.8143 8.0969 8.0969 9.3947 9.3947 10.0547 10.0547 10.4091 10.4091 10.9653 10.9653 11.3285 11.3285 k =-0.3146 0.6189 0.0348 ( 3251 PWs) bands (ev): -40.2722 -40.2722 -40.2223 -40.2223 -19.2623 -19.2623 -19.1670 -19.1670 -18.7999 -18.7999 -18.6881 -18.6881 -18.6277 -18.6277 -18.5318 -18.5318 1.1299 1.1299 4.1659 4.1659 4.7864 4.7864 7.8173 7.8173 8.1009 8.1009 9.3971 9.3971 10.0541 10.0541 10.4103 10.4103 10.9507 10.9507 11.3152 11.3152 k =-0.3146 0.6189 0.0522 ( 3249 PWs) bands (ev): -40.2719 -40.2719 -40.2222 -40.2222 -19.2623 -19.2623 -19.1672 -19.1672 -18.7998 -18.7998 -18.6887 -18.6887 -18.6284 -18.6284 -18.5328 -18.5328 1.1365 1.1365 4.1724 4.1724 4.7941 4.7941 7.8224 7.8224 8.1075 8.1075 9.4012 9.4012 10.0530 10.0530 10.4122 10.4122 10.9265 10.9265 11.2944 11.2944 k =-0.3146 0.6189 0.0696 ( 3245 PWs) bands (ev): -40.2716 -40.2716 -40.2220 -40.2220 -19.2623 -19.2623 -19.1675 -19.1675 -18.7997 -18.7997 -18.6895 -18.6895 -18.6293 -18.6293 -18.5341 -18.5341 1.1457 1.1457 4.1816 4.1816 4.8050 4.8050 7.8296 7.8296 8.1167 8.1167 9.4067 9.4067 10.0514 10.0514 10.4143 10.4143 10.8930 10.8930 11.2674 11.2674 k =-0.3146 0.6189 0.0870 ( 3248 PWs) bands (ev): -40.2713 -40.2713 -40.2218 -40.2218 -19.2623 -19.2623 -19.1679 -19.1679 -18.7996 -18.7996 -18.6905 -18.6905 -18.6305 -18.6305 -18.5358 -18.5358 1.1575 1.1575 4.1933 4.1933 4.8188 4.8188 7.8387 7.8387 8.1284 8.1284 9.4136 9.4136 10.0492 10.0492 10.4162 10.4162 10.8508 10.8508 11.2358 11.2358 k =-0.3146 0.6189 0.1044 ( 3248 PWs) bands (ev): -40.2708 -40.2708 -40.2216 -40.2216 -19.2623 -19.2623 -19.1684 -19.1684 -18.7995 -18.7995 -18.6917 -18.6917 -18.6319 -18.6319 -18.5379 -18.5379 1.1720 1.1720 4.2077 4.2077 4.8358 4.8358 7.8499 7.8499 8.1426 8.1426 9.4220 9.4220 10.0463 10.0463 10.4167 10.4167 10.8009 10.8009 11.2006 11.2006 k =-0.3146 0.6189 0.1218 ( 3249 PWs) bands (ev): -40.2702 -40.2702 -40.2214 -40.2214 -19.2623 -19.2623 -19.1690 -19.1690 -18.7994 -18.7994 -18.6932 -18.6932 -18.6335 -18.6335 -18.5403 -18.5403 1.1892 1.1892 4.2246 4.2246 4.8557 4.8557 7.8631 7.8631 8.1591 8.1591 9.4316 9.4316 10.0425 10.0425 10.4138 10.4138 10.7454 10.7454 11.1630 11.1630 k =-0.3146 0.6189 0.1392 ( 3251 PWs) bands (ev): -40.2696 -40.2696 -40.2211 -40.2211 -19.2624 -19.2624 -19.1697 -19.1697 -18.7993 -18.7993 -18.6948 -18.6948 -18.6354 -18.6354 -18.5430 -18.5430 1.2089 1.2089 4.2441 4.2441 4.8786 4.8786 7.8782 7.8782 8.1780 8.1780 9.4424 9.4424 10.0378 10.0378 10.4033 10.4033 10.6886 10.6886 11.1239 11.1239 k =-0.3146 0.6189 0.1566 ( 3247 PWs) bands (ev): -40.2689 -40.2689 -40.2208 -40.2208 -19.2624 -19.2624 -19.1705 -19.1705 -18.7992 -18.7992 -18.6967 -18.6967 -18.6374 -18.6374 -18.5459 -18.5459 1.2313 1.2313 4.2661 4.2661 4.9045 4.9045 7.8954 7.8954 8.1990 8.1990 9.4542 9.4542 10.0318 10.0318 10.3777 10.3777 10.6381 10.6381 11.0840 11.0840 k =-0.3146 0.6189 0.1740 ( 3244 PWs) bands (ev): -40.2681 -40.2681 -40.2204 -40.2204 -19.2625 -19.2625 -19.1714 -19.1714 -18.7991 -18.7991 -18.6988 -18.6988 -18.6397 -18.6397 -18.5491 -18.5491 1.2563 1.2563 4.2906 4.2906 4.9333 4.9333 7.9146 7.9146 8.2222 8.2222 9.4668 9.4668 10.0244 10.0244 10.3284 10.3284 10.6030 10.6030 11.0438 11.0438 k =-0.3146 0.6189 0.1914 ( 3248 PWs) bands (ev): -40.2672 -40.2672 -40.2200 -40.2200 -19.2627 -19.2627 -19.1725 -19.1725 -18.7990 -18.7990 -18.7010 -18.7010 -18.6422 -18.6422 -18.5525 -18.5525 1.2839 1.2839 4.3177 4.3177 4.9650 4.9650 7.9356 7.9356 8.2472 8.2472 9.4801 9.4801 10.0152 10.0152 10.2532 10.2532 10.5856 10.5856 11.0040 11.0040 k =-0.3146 0.6189 0.2088 ( 3250 PWs) bands (ev): -40.2663 -40.2663 -40.2196 -40.2196 -19.2628 -19.2628 -19.1736 -19.1736 -18.7990 -18.7990 -18.7035 -18.7035 -18.6448 -18.6448 -18.5561 -18.5561 1.3141 1.3141 4.3472 4.3472 4.9994 4.9994 7.9586 7.9586 8.2740 8.2740 9.4939 9.4939 10.0041 10.0041 10.1580 10.1580 10.5806 10.5806 10.9650 10.9650 k =-0.3146 0.6189 0.2263 ( 3248 PWs) bands (ev): -40.2653 -40.2653 -40.2192 -40.2192 -19.2630 -19.2630 -19.1749 -19.1749 -18.7991 -18.7991 -18.7060 -18.7060 -18.6475 -18.6475 -18.5598 -18.5598 1.3469 1.3469 4.3791 4.3791 5.0367 5.0367 7.9835 7.9835 8.3023 8.3023 9.5081 9.5081 9.9907 9.9907 10.0488 10.0488 10.5821 10.5821 10.9275 10.9275 k =-0.3146 0.6189 0.2437 ( 3246 PWs) bands (ev): -40.2642 -40.2642 -40.2187 -40.2187 -19.2633 -19.2633 -19.1764 -19.1764 -18.7992 -18.7992 -18.7088 -18.7088 -18.6504 -18.6504 -18.5636 -18.5636 1.3824 1.3824 4.4134 4.4134 5.0766 5.0766 8.0103 8.0103 8.3320 8.3320 9.5223 9.5223 9.9294 9.9294 9.9746 9.9746 10.5860 10.5860 10.8923 10.8923 k =-0.3146 0.6189 0.2611 ( 3248 PWs) bands (ev): -40.2631 -40.2631 -40.2183 -40.2183 -19.2636 -19.2636 -19.1780 -19.1780 -18.7994 -18.7994 -18.7116 -18.7116 -18.6535 -18.6535 -18.5675 -18.5675 1.4204 1.4204 4.4501 4.4501 5.1192 5.1192 8.0389 8.0389 8.3629 8.3629 9.5364 9.5364 9.8021 9.8021 9.9556 9.9556 10.5893 10.5893 10.8608 10.8608 k =-0.3146 0.6189 0.2785 ( 3240 PWs) bands (ev): -40.2619 -40.2619 -40.2178 -40.2178 -19.2639 -19.2639 -19.1797 -19.1797 -18.7996 -18.7996 -18.7144 -18.7144 -18.6566 -18.6566 -18.5715 -18.5715 1.4611 1.4611 4.4892 4.4892 5.1644 5.1644 8.0693 8.0693 8.3946 8.3946 9.5503 9.5503 9.6686 9.6686 9.9333 9.9333 10.5893 10.5893 10.8348 10.8348 k =-0.3146 0.6189 0.2959 ( 3236 PWs) bands (ev): -40.2606 -40.2606 -40.2173 -40.2173 -19.2643 -19.2643 -19.1816 -19.1816 -18.8001 -18.8001 -18.7174 -18.7174 -18.6599 -18.6599 -18.5753 -18.5753 1.5043 1.5043 4.5305 4.5305 5.2121 5.2121 8.1015 8.1015 8.4269 8.4269 9.5299 9.5299 9.5637 9.5637 9.9074 9.9074 10.5835 10.5835 10.8163 10.8163 k =-0.3146 0.6189 0.3133 ( 3237 PWs) bands (ev): -40.2593 -40.2593 -40.2167 -40.2167 -19.2648 -19.2648 -19.1836 -19.1836 -18.8006 -18.8006 -18.7203 -18.7203 -18.6632 -18.6632 -18.5792 -18.5792 1.5501 1.5501 4.5741 4.5741 5.2623 5.2623 8.1355 8.1355 8.4594 8.4594 9.3871 9.3871 9.5764 9.5764 9.8776 9.8776 10.5700 10.5700 10.8065 10.8065 k =-0.3146 0.6189 0.3307 ( 3233 PWs) bands (ev): -40.2580 -40.2580 -40.2162 -40.2162 -19.2654 -19.2654 -19.1858 -19.1858 -18.8013 -18.8013 -18.7233 -18.7233 -18.6666 -18.6666 -18.5831 -18.5831 1.5985 1.5985 4.6199 4.6199 5.3148 5.3148 8.1711 8.1711 8.4918 8.4918 9.2410 9.2410 9.5883 9.5883 9.8438 9.8438 10.5490 10.5490 10.8049 10.8049 k =-0.3146 0.6189 0.3481 ( 3231 PWs) bands (ev): -40.2566 -40.2566 -40.2157 -40.2157 -19.2661 -19.2661 -19.1882 -19.1882 -18.8021 -18.8021 -18.7263 -18.7263 -18.6701 -18.6701 -18.5868 -18.5868 1.6494 1.6494 4.6678 4.6678 5.3696 5.3696 8.2083 8.2083 8.5236 8.5236 9.0923 9.0923 9.5994 9.5994 9.8058 9.8058 10.5220 10.5220 10.8096 10.8096 k =-0.3146 0.6189 0.3655 ( 3230 PWs) bands (ev): -40.2551 -40.2551 -40.2151 -40.2151 -19.2668 -19.2668 -19.1908 -19.1908 -18.8032 -18.8032 -18.7292 -18.7292 -18.6735 -18.6735 -18.5905 -18.5905 1.7029 1.7029 4.7179 4.7179 5.4266 5.4266 8.2471 8.2471 8.5538 8.5538 8.9421 8.9421 9.6094 9.6094 9.7636 9.7636 10.4911 10.4911 10.8183 10.8183 k =-0.3146 0.6189 0.3829 ( 3226 PWs) bands (ev): -40.2537 -40.2537 -40.2146 -40.2146 -19.2677 -19.2677 -19.1935 -19.1935 -18.8043 -18.8043 -18.7322 -18.7322 -18.6768 -18.6768 -18.5940 -18.5940 1.7590 1.7590 4.7700 4.7700 5.4857 5.4857 8.2874 8.2874 8.5796 8.5796 8.7935 8.7935 9.6184 9.6184 9.7173 9.7173 10.4578 10.4578 10.8289 10.8289 k =-0.3146 0.6189 0.4003 ( 3226 PWs) bands (ev): -40.2522 -40.2522 -40.2141 -40.2141 -19.2686 -19.2686 -19.1964 -19.1964 -18.8056 -18.8056 -18.7351 -18.7351 -18.6801 -18.6801 -18.5974 -18.5974 1.8176 1.8176 4.8241 4.8241 5.5468 5.5468 8.3292 8.3292 8.5758 8.5758 8.6716 8.6716 9.6262 9.6262 9.6671 9.6671 10.4231 10.4231 10.8401 10.8401 k =-0.3146 0.6189 0.4177 ( 3222 PWs) bands (ev): -40.2506 -40.2506 -40.2136 -40.2136 -19.2696 -19.2696 -19.1994 -19.1994 -18.8071 -18.8071 -18.7380 -18.7380 -18.6831 -18.6831 -18.6007 -18.6007 1.8787 1.8787 4.8802 4.8802 5.6098 5.6098 8.3723 8.3723 8.4583 8.4583 8.6608 8.6608 9.6112 9.6112 9.6350 9.6350 10.3878 10.3878 10.8506 10.8506 k =-0.3146 0.6189 0.4351 ( 3222 PWs) bands (ev): -40.2491 -40.2491 -40.2130 -40.2130 -19.2706 -19.2706 -19.2026 -19.2026 -18.8087 -18.8087 -18.7410 -18.7410 -18.6859 -18.6859 -18.6039 -18.6039 1.9424 1.9424 4.9381 4.9381 5.6746 5.6746 8.3069 8.3069 8.4166 8.4166 8.6810 8.6810 9.5539 9.5539 9.6406 9.6406 10.3523 10.3523 10.8594 10.8594 k =-0.3146 0.6189 0.4525 ( 3224 PWs) bands (ev): -40.2475 -40.2475 -40.2126 -40.2126 -19.2718 -19.2718 -19.2060 -19.2060 -18.8103 -18.8103 -18.7441 -18.7441 -18.6885 -18.6885 -18.6070 -18.6070 2.0086 2.0086 4.9978 4.9978 5.7410 5.7410 8.1514 8.1514 8.4621 8.4621 8.7024 8.7024 9.4926 9.4926 9.6461 9.6461 10.3170 10.3170 10.8660 10.8660 k =-0.3146 0.6189 0.4699 ( 3226 PWs) bands (ev): -40.2459 -40.2459 -40.2121 -40.2121 -19.2731 -19.2731 -19.2095 -19.2095 -18.8121 -18.8121 -18.7472 -18.7472 -18.6907 -18.6907 -18.6100 -18.6100 2.0773 2.0773 5.0592 5.0592 5.8090 5.8090 7.9947 7.9947 8.5085 8.5085 8.7219 8.7219 9.4281 9.4281 9.6513 9.6513 10.2818 10.2818 10.8698 10.8698 k =-0.3146 0.6189 0.4873 ( 3226 PWs) bands (ev): -40.2443 -40.2443 -40.2116 -40.2116 -19.2744 -19.2744 -19.2132 -19.2132 -18.8139 -18.8139 -18.7504 -18.7504 -18.6926 -18.6926 -18.6129 -18.6129 2.1485 2.1485 5.1222 5.1222 5.8784 5.8784 7.8379 7.8379 8.5559 8.5559 8.7387 8.7387 9.3609 9.3609 9.6562 9.6562 10.2470 10.2470 10.8705 10.8705 k =-0.3146 0.6189 0.5047 ( 3224 PWs) bands (ev): -40.2427 -40.2427 -40.2112 -40.2112 -19.2758 -19.2758 -19.2170 -19.2170 -18.8156 -18.8156 -18.7538 -18.7538 -18.6941 -18.6941 -18.6157 -18.6157 2.2221 2.2221 5.1866 5.1866 5.9491 5.9491 7.6813 7.6813 8.6039 8.6039 8.7521 8.7521 9.2911 9.2911 9.6611 9.6611 10.2125 10.2125 10.8681 10.8681 k =-0.3146 0.6189 0.5221 ( 3222 PWs) bands (ev): -40.2410 -40.2410 -40.2108 -40.2108 -19.2772 -19.2772 -19.2208 -19.2208 -18.8174 -18.8174 -18.7572 -18.7572 -18.6952 -18.6952 -18.6184 -18.6184 2.2983 2.2983 5.2524 5.2524 6.0209 6.0209 7.5254 7.5254 8.6524 8.6524 8.7620 8.7620 9.2193 9.2193 9.6663 9.6663 10.1783 10.1783 10.8626 10.8626 k =-0.3146 0.6189 0.5395 ( 3222 PWs) bands (ev): -40.2394 -40.2394 -40.2104 -40.2104 -19.2787 -19.2787 -19.2248 -19.2248 -18.8191 -18.8191 -18.7607 -18.7607 -18.6959 -18.6959 -18.6211 -18.6211 2.3769 2.3769 5.3193 5.3193 6.0936 6.0936 7.3704 7.3704 8.7009 8.7009 8.7679 8.7679 9.1457 9.1457 9.6721 9.6721 10.1442 10.1442 10.8543 10.8543 k =-0.3146 0.6189 0.5569 ( 3224 PWs) bands (ev): -40.2378 -40.2378 -40.2101 -40.2101 -19.2802 -19.2802 -19.2289 -19.2289 -18.8207 -18.8207 -18.7643 -18.7643 -18.6963 -18.6963 -18.6236 -18.6236 2.4580 2.4580 5.3870 5.3870 6.1669 6.1669 7.2169 7.2169 8.7485 8.7485 8.7705 8.7705 9.0710 9.0710 9.6788 9.6788 10.1103 10.1103 10.8434 10.8434 k =-0.3146 0.6189 0.5743 ( 3222 PWs) bands (ev): -40.2362 -40.2362 -40.2098 -40.2098 -19.2817 -19.2817 -19.2330 -19.2330 -18.8222 -18.8222 -18.7679 -18.7679 -18.6964 -18.6964 -18.6261 -18.6261 2.5415 2.5415 5.4552 5.4552 6.2408 6.2408 7.0651 7.0651 8.7659 8.7659 8.7978 8.7978 8.9961 8.9961 9.6868 9.6868 10.0762 10.0762 10.8304 10.8304 k =-0.3146 0.6189 0.5917 ( 3224 PWs) bands (ev): -40.2347 -40.2347 -40.2095 -40.2095 -19.2832 -19.2832 -19.2371 -19.2371 -18.8236 -18.8236 -18.7716 -18.7716 -18.6962 -18.6962 -18.6286 -18.6286 2.6274 2.6274 5.5233 5.5233 6.3149 6.3149 6.9157 6.9157 8.7595 8.7595 8.8381 8.8381 8.9264 8.9264 9.6964 9.6964 10.0420 10.0420 10.8156 10.8156 k =-0.3146 0.6189 0.6091 ( 3220 PWs) bands (ev): -40.2331 -40.2331 -40.2093 -40.2093 -19.2847 -19.2847 -19.2412 -19.2412 -18.8249 -18.8249 -18.7752 -18.7752 -18.6957 -18.6957 -18.6310 -18.6310 2.7157 2.7157 5.5904 5.5904 6.3888 6.3888 6.7698 6.7698 8.7486 8.7486 8.8221 8.8221 8.9122 8.9122 9.7080 9.7080 10.0075 10.0075 10.7993 10.7993 k =-0.3146 0.6189 0.6265 ( 3226 PWs) bands (ev): -40.2316 -40.2316 -40.2092 -40.2092 -19.2862 -19.2862 -19.2454 -19.2454 -18.8260 -18.8260 -18.7787 -18.7787 -18.6950 -18.6950 -18.6335 -18.6335 2.8064 2.8064 5.6549 5.6549 6.4623 6.4623 6.6288 6.6288 8.7333 8.7333 8.7513 8.7513 8.9516 8.9516 9.7220 9.7220 9.9726 9.9726 10.7815 10.7815 k =-0.3146 0.6189 0.6439 ( 3224 PWs) bands (ev): -40.2301 -40.2301 -40.2091 -40.2091 -19.2876 -19.2876 -19.2494 -19.2494 -18.8269 -18.8269 -18.7822 -18.7822 -18.6941 -18.6941 -18.6358 -18.6358 2.8995 2.8995 5.7137 5.7137 6.4958 6.4958 6.5350 6.5350 8.6751 8.6751 8.7140 8.7140 8.9955 8.9955 9.7389 9.7389 9.9374 9.9374 10.7623 10.7623 k =-0.3146 0.6189 0.6613 ( 3230 PWs) bands (ev): -40.2286 -40.2286 -40.2090 -40.2090 -19.2889 -19.2889 -19.2535 -19.2535 -18.8277 -18.8277 -18.7856 -18.7856 -18.6931 -18.6931 -18.6382 -18.6382 2.9949 2.9949 5.7604 5.7604 6.3774 6.3774 6.6060 6.6060 8.5986 8.5986 8.6905 8.6905 9.0388 9.0388 9.7588 9.7588 9.9019 9.9019 10.7418 10.7418 k =-0.3146 0.6189 0.6788 ( 3235 PWs) bands (ev): -40.2271 -40.2271 -40.2090 -40.2090 -19.2902 -19.2902 -19.2574 -19.2574 -18.8284 -18.8284 -18.7889 -18.7889 -18.6919 -18.6919 -18.6405 -18.6405 3.0927 3.0927 5.7816 5.7816 6.2866 6.2866 6.6750 6.6750 8.5233 8.5233 8.6632 8.6632 9.0807 9.0807 9.7820 9.7820 9.8661 9.8661 10.7196 10.7196 k =-0.3146 0.6189 0.6962 ( 3231 PWs) bands (ev): -40.2257 -40.2257 -40.2090 -40.2090 -19.2913 -19.2913 -19.2612 -19.2612 -18.8289 -18.8289 -18.7920 -18.7920 -18.6905 -18.6905 -18.6428 -18.6428 3.1928 3.1928 5.7587 5.7587 6.2422 6.2422 6.7412 6.7412 8.4502 8.4502 8.6323 8.6323 9.1207 9.1207 9.8079 9.8079 9.8311 9.8311 10.6958 10.6958 k =-0.3146 0.6189 0.7136 ( 3231 PWs) bands (ev): -40.2244 -40.2244 -40.2091 -40.2091 -19.2922 -19.2922 -19.2649 -19.2649 -18.8292 -18.8292 -18.7950 -18.7950 -18.6890 -18.6890 -18.6450 -18.6450 3.2951 3.2951 5.6870 5.6870 6.2486 6.2486 6.8033 6.8033 8.3803 8.3803 8.5980 8.5980 9.1586 9.1586 9.7930 9.7930 9.8406 9.8406 10.6701 10.6701 k =-0.3146 0.6189 0.7310 ( 3231 PWs) bands (ev): -40.2231 -40.2231 -40.2093 -40.2093 -19.2930 -19.2930 -19.2684 -19.2684 -18.8294 -18.8294 -18.7978 -18.7978 -18.6874 -18.6874 -18.6473 -18.6473 3.3998 3.3998 5.5832 5.5832 6.2890 6.2890 6.8602 6.8602 8.3148 8.3148 8.5607 8.5607 9.1945 9.1945 9.7575 9.7575 9.8745 9.8745 10.6422 10.6422 k =-0.3146 0.6189 0.7484 ( 3231 PWs) bands (ev): -40.2218 -40.2218 -40.2095 -40.2095 -19.2937 -19.2937 -19.2717 -19.2717 -18.8294 -18.8294 -18.8004 -18.8004 -18.6858 -18.6858 -18.6495 -18.6495 3.5067 3.5067 5.4637 5.4637 6.3467 6.3467 6.9103 6.9103 8.2555 8.2555 8.5206 8.5206 9.2283 9.2283 9.7220 9.7220 9.9120 9.9120 10.6120 10.6120 k =-0.3146 0.6189 0.7658 ( 3231 PWs) bands (ev): -40.2206 -40.2206 -40.2098 -40.2098 -19.2942 -19.2942 -19.2749 -19.2749 -18.8293 -18.8293 -18.8029 -18.8029 -18.6841 -18.6841 -18.6517 -18.6517 3.6158 3.6158 5.3373 5.3373 6.4128 6.4128 6.9517 6.9517 8.2040 8.2040 8.4781 8.4781 9.2604 9.2604 9.6869 9.6869 9.9527 9.9527 10.5793 10.5793 k =-0.3146 0.6189 0.7832 ( 3233 PWs) bands (ev): -40.2194 -40.2194 -40.2102 -40.2102 -19.2944 -19.2944 -19.2778 -19.2778 -18.8291 -18.8291 -18.8052 -18.8052 -18.6824 -18.6824 -18.6538 -18.6538 3.7270 3.7270 5.2079 5.2079 6.4829 6.4829 6.9824 6.9824 8.1623 8.1623 8.4338 8.4338 9.2911 9.2911 9.6525 9.6525 9.9962 9.9962 10.5440 10.5440 k =-0.3146 0.6189 0.8006 ( 3233 PWs) bands (ev): -40.2183 -40.2183 -40.2106 -40.2106 -19.2945 -19.2945 -19.2806 -19.2806 -18.8288 -18.8288 -18.8072 -18.8072 -18.6806 -18.6806 -18.6559 -18.6559 3.8405 3.8405 5.0776 5.0776 6.5545 6.5545 7.0002 7.0002 8.1325 8.1325 8.3881 8.3881 9.3206 9.3206 9.6188 9.6188 10.0418 10.0418 10.5062 10.5062 k =-0.3146 0.6189 0.8180 ( 3243 PWs) bands (ev): -40.2173 -40.2173 -40.2111 -40.2111 -19.2944 -19.2944 -19.2830 -19.2830 -18.8285 -18.8285 -18.8090 -18.8090 -18.6789 -18.6789 -18.6578 -18.6578 3.9560 3.9560 4.9474 4.9474 6.6259 6.6259 7.0039 7.0039 8.1157 8.1157 8.3419 8.3419 9.3492 9.3492 9.5859 9.5859 10.0891 10.0891 10.4659 10.4659 k =-0.3146 0.6189 0.8354 ( 3241 PWs) bands (ev): -40.2163 -40.2163 -40.2116 -40.2116 -19.2940 -19.2940 -19.2852 -19.2852 -18.8281 -18.8281 -18.8104 -18.8104 -18.6773 -18.6773 -18.6596 -18.6596 4.0736 4.0736 4.8181 4.8181 6.6959 6.6959 6.9928 6.9928 8.1126 8.1126 8.2961 8.2961 9.3775 9.3775 9.5539 9.5539 10.1375 10.1375 10.4233 10.4233 k =-0.3146 0.6189 0.8528 ( 3247 PWs) bands (ev): -40.2153 -40.2153 -40.2122 -40.2122 -19.2934 -19.2934 -19.2871 -19.2871 -18.8278 -18.8278 -18.8116 -18.8116 -18.6759 -18.6759 -18.6612 -18.6612 4.1931 4.1931 4.6899 4.6899 6.7628 6.7628 6.9676 6.9676 8.1224 8.1224 8.2517 8.2517 9.4056 9.4056 9.5229 9.5229 10.1864 10.1864 10.3787 10.3787 k =-0.3146 0.6189 0.8702 ( 3246 PWs) bands (ev): -40.2145 -40.2145 -40.2129 -40.2129 -19.2927 -19.2927 -19.2886 -19.2886 -18.8276 -18.8276 -18.8123 -18.8123 -18.6749 -18.6749 -18.6623 -18.6623 4.3146 4.3146 4.5632 4.5632 6.8254 6.8254 6.9299 6.9299 8.1433 8.1433 8.2104 8.2104 9.4339 9.4339 9.4927 9.4927 10.2353 10.2353 10.3325 10.3325 k =-0.3146 0.6189 0.8876 ( 3250 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2924 -19.2924 -19.2892 -19.2892 -18.8275 -18.8275 -18.8125 -18.8125 -18.6746 -18.6746 -18.6627 -18.6627 4.4359 4.4359 4.4402 4.4402 6.8808 6.8808 6.8828 6.8828 8.1701 8.1701 8.1768 8.1768 9.4595 9.4595 9.4665 9.4665 10.2782 10.2782 10.2905 10.2905 k =-0.3146 0.6189 0.8876 ( 3250 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2924 -19.2924 -19.2892 -19.2892 -18.8275 -18.8275 -18.8125 -18.8125 -18.6746 -18.6746 -18.6627 -18.6627 4.4359 4.4359 4.4402 4.4402 6.8808 6.8808 6.8828 6.8828 8.1701 8.1701 8.1768 8.1768 9.4595 9.4595 9.4665 9.4665 10.2782 10.2782 10.2905 10.2905 k =-0.3223 0.6037 0.8876 ( 3246 PWs) bands (ev): -40.2136 -40.2136 -40.2136 -40.2136 -19.2925 -19.2925 -19.2894 -19.2894 -18.8275 -18.8275 -18.8128 -18.8128 -18.6741 -18.6741 -18.6624 -18.6624 4.4423 4.4423 4.4467 4.4467 6.8505 6.8505 6.8524 6.8524 8.1803 8.1803 8.1870 8.1870 9.4774 9.4774 9.4850 9.4850 10.2561 10.2561 10.2692 10.2692 k =-0.3301 0.5885 0.8876 ( 3242 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2926 -19.2926 -19.2896 -19.2896 -18.8274 -18.8274 -18.8131 -18.8131 -18.6736 -18.6736 -18.6622 -18.6622 4.4478 4.4478 4.4522 4.4522 6.8233 6.8233 6.8252 6.8252 8.1878 8.1878 8.1947 8.1947 9.4920 9.4920 9.5002 9.5002 10.2361 10.2361 10.2500 10.2500 k =-0.3378 0.5733 0.8876 ( 3242 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2928 -19.2928 -19.2898 -19.2898 -18.8274 -18.8274 -18.8134 -18.8134 -18.6731 -18.6731 -18.6620 -18.6620 4.4523 4.4523 4.4567 4.4567 6.7994 6.7994 6.8013 6.8013 8.1927 8.1927 8.1996 8.1996 9.5024 9.5024 9.5111 9.5111 10.2198 10.2198 10.2344 10.2344 k =-0.3455 0.5581 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2929 -19.2929 -19.2900 -19.2900 -18.8273 -18.8273 -18.8137 -18.8137 -18.6725 -18.6725 -18.6618 -18.6618 4.4558 4.4558 4.4602 4.4602 6.7788 6.7788 6.7806 6.7806 8.1947 8.1947 8.2017 8.2017 9.5081 9.5081 9.5171 9.5171 10.2087 10.2087 10.2237 10.2237 k =-0.3532 0.5429 0.8876 ( 3230 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2930 -19.2930 -19.2902 -19.2902 -18.8271 -18.8271 -18.8140 -18.8140 -18.6720 -18.6720 -18.6616 -18.6616 4.4585 4.4585 4.4628 4.4628 6.7616 6.7616 6.7634 6.7634 8.1939 8.1939 8.2009 8.2009 9.5084 9.5084 9.5175 9.5175 10.2039 10.2039 10.2190 10.2190 k =-0.3610 0.5277 0.8876 ( 3228 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2931 -19.2931 -19.2904 -19.2904 -18.8270 -18.8270 -18.8144 -18.8144 -18.6715 -18.6715 -18.6615 -18.6615 4.4601 4.4601 4.4644 4.4644 6.7477 6.7477 6.7494 6.7494 8.1903 8.1903 8.1972 8.1972 9.5033 9.5033 9.5121 9.5121 10.2060 10.2060 10.2211 10.2211 k =-0.3687 0.5125 0.8876 ( 3224 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2931 -19.2931 -19.2906 -19.2906 -18.8268 -18.8268 -18.8147 -18.8147 -18.6710 -18.6710 -18.6614 -18.6614 4.4609 4.4609 4.4652 4.4652 6.7370 6.7370 6.7387 6.7387 8.1839 8.1839 8.1907 8.1907 9.4930 9.4930 9.5015 9.5015 10.2154 10.2154 10.2301 10.2301 k =-0.3764 0.4973 0.8876 ( 3216 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2932 -19.2932 -19.2908 -19.2908 -18.8266 -18.8266 -18.8151 -18.8151 -18.6704 -18.6704 -18.6613 -18.6613 4.4609 4.4609 4.4650 4.4650 6.7296 6.7296 6.7311 6.7311 8.1749 8.1749 8.1816 8.1816 9.4784 9.4784 9.4862 9.4862 10.2314 10.2314 10.2456 10.2456 k =-0.3841 0.4821 0.8876 ( 3216 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2933 -19.2933 -19.2910 -19.2910 -18.8264 -18.8264 -18.8155 -18.8155 -18.6699 -18.6699 -18.6612 -18.6612 4.4602 4.4602 4.4642 4.4642 6.7252 6.7252 6.7266 6.7266 8.1632 8.1632 8.1698 8.1698 9.4603 9.4603 9.4674 9.4674 10.2536 10.2536 10.2671 10.2671 k =-0.3919 0.4669 0.8876 ( 3224 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2934 -19.2934 -19.2912 -19.2912 -18.8262 -18.8262 -18.8159 -18.8159 -18.6694 -18.6694 -18.6612 -18.6612 4.4588 4.4588 4.4626 4.4626 6.7236 6.7236 6.7249 6.7249 8.1492 8.1492 8.1556 8.1556 9.4398 9.4398 9.4461 9.4461 10.2809 10.2809 10.2937 10.2937 k =-0.3996 0.4517 0.8876 ( 3232 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2934 -19.2934 -19.2914 -19.2914 -18.8260 -18.8260 -18.8163 -18.8163 -18.6689 -18.6689 -18.6612 -18.6612 4.4569 4.4569 4.4605 4.4605 6.7247 6.7247 6.7258 6.7258 8.1331 8.1331 8.1393 8.1393 9.4178 9.4178 9.4234 9.4234 10.3125 10.3125 10.3245 10.3245 k =-0.4073 0.4365 0.8876 ( 3240 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2935 -19.2935 -19.2916 -19.2916 -18.8258 -18.8258 -18.8167 -18.8167 -18.6684 -18.6684 -18.6612 -18.6612 4.4545 4.4545 4.4579 4.4579 6.7281 6.7281 6.7291 6.7291 8.1153 8.1153 8.1212 8.1212 9.3954 9.3954 9.4003 9.4003 10.3474 10.3474 10.3587 10.3587 k =-0.4150 0.4213 0.8876 ( 3248 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2935 -19.2935 -19.2918 -19.2918 -18.8255 -18.8255 -18.8171 -18.8171 -18.6679 -18.6679 -18.6613 -18.6613 4.4518 4.4518 4.4550 4.4550 6.7336 6.7336 6.7344 6.7344 8.0960 8.0960 8.1016 8.1016 9.3732 9.3732 9.3775 9.3775 10.3849 10.3849 10.3955 10.3955 k =-0.4228 0.4061 0.8876 ( 3260 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2936 -19.2936 -19.2920 -19.2920 -18.8253 -18.8253 -18.8176 -18.8176 -18.6675 -18.6675 -18.6614 -18.6614 4.4488 4.4488 4.4518 4.4518 6.7408 6.7408 6.7415 6.7415 8.0757 8.0757 8.0810 8.0810 9.3519 9.3519 9.3555 9.3555 10.4242 10.4242 10.4341 10.4341 k =-0.4305 0.3909 0.8876 ( 3260 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2936 -19.2936 -19.2921 -19.2921 -18.8250 -18.8250 -18.8180 -18.8180 -18.6670 -18.6670 -18.6615 -18.6615 4.4458 4.4458 4.4485 4.4485 6.7494 6.7494 6.7499 6.7499 8.0550 8.0550 8.0598 8.0598 9.3319 9.3319 9.3349 9.3349 10.4646 10.4646 10.4738 10.4738 k =-0.4382 0.3757 0.8876 ( 3260 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2936 -19.2936 -19.2923 -19.2923 -18.8247 -18.8247 -18.8184 -18.8184 -18.6665 -18.6665 -18.6616 -18.6616 4.4427 4.4427 4.4452 4.4452 6.7588 6.7588 6.7593 6.7593 8.0342 8.0342 8.0387 8.0387 9.3135 9.3135 9.3161 9.3161 10.5054 10.5054 10.5139 10.5139 k =-0.4459 0.3605 0.8876 ( 3256 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2936 -19.2936 -19.2924 -19.2924 -18.8243 -18.8243 -18.8188 -18.8188 -18.6661 -18.6661 -18.6617 -18.6617 4.4398 4.4398 4.4420 4.4420 6.7688 6.7688 6.7691 6.7691 8.0141 8.0141 8.0181 8.0181 9.2969 9.2969 9.2991 9.2991 10.5457 10.5457 10.5536 10.5536 k =-0.4537 0.3454 0.8876 ( 3260 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2936 -19.2936 -19.2926 -19.2926 -18.8240 -18.8240 -18.8192 -18.8192 -18.6657 -18.6657 -18.6619 -18.6619 4.4371 4.4371 4.4389 4.4389 6.7788 6.7788 6.7790 6.7790 7.9950 7.9950 7.9985 7.9985 9.2824 9.2824 9.2842 9.2842 10.5847 10.5847 10.5918 10.5918 k =-0.4614 0.3302 0.8876 ( 3244 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2935 -19.2935 -19.2927 -19.2927 -18.8236 -18.8236 -18.8196 -18.8196 -18.6652 -18.6652 -18.6621 -18.6621 4.4346 4.4346 4.4362 4.4362 6.7883 6.7883 6.7884 6.7884 7.9777 7.9777 7.9807 7.9807 9.2701 9.2701 9.2715 9.2715 10.6215 10.6215 10.6278 10.6278 k =-0.4691 0.3150 0.8876 ( 3252 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2935 -19.2935 -19.2928 -19.2928 -18.8232 -18.8232 -18.8201 -18.8201 -18.6648 -18.6648 -18.6623 -18.6623 4.4326 4.4326 4.4338 4.4338 6.7968 6.7968 6.7969 6.7969 7.9626 7.9626 7.9651 7.9651 9.2600 9.2600 9.2611 9.2611 10.6546 10.6546 10.6600 10.6600 k =-0.4768 0.2998 0.8876 ( 3252 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2934 -19.2934 -19.2929 -19.2929 -18.8229 -18.8229 -18.8205 -18.8205 -18.6644 -18.6644 -18.6625 -18.6625 4.4309 4.4309 4.4319 4.4319 6.8040 6.8040 6.8041 6.8041 7.9504 7.9504 7.9522 7.9522 9.2521 9.2521 9.2529 9.2529 10.6830 10.6830 10.6872 10.6872 k =-0.4846 0.2846 0.8876 ( 3252 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2934 -19.2934 -19.2930 -19.2930 -18.8225 -18.8225 -18.8209 -18.8209 -18.6641 -18.6641 -18.6628 -18.6628 4.4298 4.4298 4.4304 4.4304 6.8095 6.8095 6.8095 6.8095 7.9413 7.9413 7.9426 7.9426 9.2465 9.2465 9.2470 9.2470 10.7051 10.7051 10.7080 10.7080 k =-0.4923 0.2694 0.8876 ( 3256 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2933 -19.2933 -19.2931 -19.2931 -18.8221 -18.8221 -18.8213 -18.8213 -18.6637 -18.6637 -18.6631 -18.6631 4.4291 4.4291 4.4294 4.4294 6.8128 6.8128 6.8129 6.8129 7.9359 7.9359 7.9365 7.9365 9.2431 9.2431 9.2434 9.2434 10.7193 10.7193 10.7208 10.7208 k =-0.5000 0.2542 0.8876 ( 3268 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2933 -19.2933 -19.2933 -19.2933 -18.8217 -18.8217 -18.8217 -18.8217 -18.6634 -18.6634 -18.6634 -18.6634 4.4290 4.4290 4.4290 4.4290 6.8140 6.8140 6.8140 6.8140 7.9341 7.9341 7.9341 7.9341 9.2421 9.2421 9.2421 9.2421 10.7247 10.7247 10.7247 10.7247 k =-0.5000 0.2542 0.8876 ( 3268 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2933 -19.2933 -19.2933 -19.2933 -18.8217 -18.8217 -18.8217 -18.8217 -18.6634 -18.6634 -18.6634 -18.6634 4.4290 4.4290 4.4290 4.4290 6.8140 6.8140 6.8140 6.8140 7.9341 7.9341 7.9341 7.9341 9.2421 9.2421 9.2421 9.2421 10.7247 10.7247 10.7247 10.7247 k =-0.5000 0.2542 0.8702 ( 3256 PWs) bands (ev): -40.2144 -40.2144 -40.2130 -40.2130 -19.2943 -19.2943 -19.2919 -19.2919 -18.8233 -18.8233 -18.8200 -18.8200 -18.6654 -18.6654 -18.6614 -18.6614 4.2995 4.2995 4.5600 4.5600 6.7018 6.7018 6.9273 6.9273 7.8880 7.8880 7.9816 7.9816 9.2195 9.2195 9.2642 9.2642 10.6636 10.6636 10.7857 10.7857 k =-0.5000 0.2542 0.8528 ( 3252 PWs) bands (ev): -40.2152 -40.2152 -40.2124 -40.2124 -19.2951 -19.2951 -19.2903 -19.2903 -18.8246 -18.8246 -18.8181 -18.8181 -18.6674 -18.6674 -18.6593 -18.6593 4.1718 4.1718 4.6924 4.6924 6.5910 6.5910 7.0414 7.0414 7.8428 7.8428 8.0304 8.0304 9.1962 9.1962 9.2860 9.2860 10.6026 10.6026 10.8465 10.8465 k =-0.5000 0.2542 0.8354 ( 3242 PWs) bands (ev): -40.2161 -40.2161 -40.2118 -40.2118 -19.2956 -19.2956 -19.2884 -19.2884 -18.8258 -18.8258 -18.8161 -18.8161 -18.6694 -18.6694 -18.6572 -18.6572 4.0460 4.0460 4.8258 4.8258 6.4820 6.4820 7.1561 7.1561 7.7989 7.7989 8.0804 8.0804 9.1720 9.1720 9.3075 9.3075 10.5418 10.5418 10.9070 10.9070 k =-0.5000 0.2542 0.8180 ( 3238 PWs) bands (ev): -40.2171 -40.2171 -40.2113 -40.2113 -19.2958 -19.2958 -19.2862 -19.2862 -18.8269 -18.8269 -18.8139 -18.8139 -18.6713 -18.6713 -18.6552 -18.6552 3.9221 3.9221 4.9595 4.9595 6.3756 6.3756 7.2710 7.2710 7.7559 7.7559 8.1316 8.1316 9.1468 9.1468 9.3290 9.3290 10.4812 10.4812 10.9671 10.9671 k =-0.5000 0.2542 0.8006 ( 3238 PWs) bands (ev): -40.2181 -40.2181 -40.2109 -40.2109 -19.2958 -19.2958 -19.2839 -19.2839 -18.8278 -18.8278 -18.8115 -18.8115 -18.6732 -18.6732 -18.6531 -18.6531 3.8003 3.8003 5.0927 5.0927 6.2726 6.2726 7.3858 7.3858 7.7141 7.7141 8.1842 8.1842 9.1204 9.1204 9.3506 9.3506 10.4210 10.4210 11.0266 11.0266 k =-0.5000 0.2542 0.7832 ( 3240 PWs) bands (ev): -40.2191 -40.2191 -40.2105 -40.2105 -19.2956 -19.2956 -19.2813 -19.2813 -18.8285 -18.8285 -18.8090 -18.8090 -18.6751 -18.6751 -18.6510 -18.6510 3.6805 3.6805 5.2235 5.2235 6.1751 6.1751 7.5002 7.5002 7.6733 7.6733 8.2380 8.2380 9.0929 9.0929 9.3724 9.3724 10.3613 10.3613 11.0854 11.0854 k =-0.5000 0.2542 0.7658 ( 3236 PWs) bands (ev): -40.2202 -40.2202 -40.2102 -40.2102 -19.2951 -19.2951 -19.2784 -19.2784 -18.8291 -18.8291 -18.8063 -18.8063 -18.6769 -18.6769 -18.6489 -18.6489 3.5630 3.5630 5.3479 5.3479 6.0871 6.0871 7.6131 7.6131 7.6345 7.6345 8.2931 8.2931 9.0640 9.0640 9.3945 9.3945 10.3021 10.3021 11.1435 11.1435 k =-0.5000 0.2542 0.7484 ( 3232 PWs) bands (ev): -40.2214 -40.2214 -40.2100 -40.2100 -19.2944 -19.2944 -19.2754 -19.2754 -18.8294 -18.8294 -18.8035 -18.8035 -18.6787 -18.6787 -18.6468 -18.6468 3.4477 3.4477 5.4564 5.4564 6.0179 6.0179 7.5945 7.5945 7.7270 7.7270 8.3497 8.3497 9.0339 9.0339 9.4171 9.4171 10.2436 10.2436 11.1759 11.1760 k =-0.5000 0.2542 0.7310 ( 3240 PWs) bands (ev): -40.2226 -40.2226 -40.2098 -40.2098 -19.2936 -19.2936 -19.2721 -19.2721 -18.8297 -18.8297 -18.8005 -18.8005 -18.6804 -18.6804 -18.6447 -18.6447 3.3346 3.3346 5.5278 5.5278 5.9887 5.9887 7.5567 7.5567 7.8380 7.8380 8.4074 8.4074 9.0027 9.0027 9.4402 9.4402 10.1858 10.1858 11.1471 11.1471 k =-0.5000 0.2542 0.7136 ( 3236 PWs) bands (ev): -40.2239 -40.2239 -40.2097 -40.2097 -19.2925 -19.2925 -19.2687 -19.2687 -18.8297 -18.8297 -18.7974 -18.7974 -18.6821 -18.6821 -18.6426 -18.6426 3.2238 3.2238 5.5371 5.5371 6.0246 6.0246 7.5198 7.5198 7.9468 7.9468 8.4666 8.4666 8.9706 8.9706 9.4640 9.4640 10.1290 10.1290 11.1196 11.1196 k =-0.5000 0.2542 0.6962 ( 3236 PWs) bands (ev): -40.2252 -40.2252 -40.2096 -40.2096 -19.2913 -19.2913 -19.2651 -19.2651 -18.8295 -18.8295 -18.7941 -18.7941 -18.6836 -18.6836 -18.6405 -18.6405 3.1154 3.1154 5.4924 5.4924 6.1174 6.1174 7.4837 7.4837 8.0525 8.0525 8.5272 8.5272 8.9383 8.9383 9.4884 9.4884 10.0730 10.0730 11.0936 11.0936 k =-0.5000 0.2542 0.6788 ( 3236 PWs) bands (ev): -40.2265 -40.2265 -40.2096 -40.2096 -19.2900 -19.2900 -19.2613 -19.2613 -18.8292 -18.8292 -18.7907 -18.7907 -18.6851 -18.6851 -18.6384 -18.6384 3.0094 3.0094 5.4211 5.4211 6.2398 6.2398 7.4486 7.4486 8.1537 8.1537 8.5890 8.5890 8.9067 8.9067 9.5137 9.5137 10.0180 10.0180 11.0690 11.0690 k =-0.5000 0.2542 0.6613 ( 3236 PWs) bands (ev): -40.2279 -40.2279 -40.2097 -40.2097 -19.2885 -19.2885 -19.2575 -19.2575 -18.8286 -18.8286 -18.7871 -18.7871 -18.6865 -18.6865 -18.6363 -18.6363 2.9057 2.9057 5.3388 5.3388 6.3757 6.3757 7.4142 7.4142 8.2483 8.2483 8.6522 8.6522 8.8776 8.8776 9.5397 9.5397 9.9640 9.9640 11.0456 11.0456 k =-0.5000 0.2542 0.6439 ( 3240 PWs) bands (ev): -40.2294 -40.2294 -40.2098 -40.2098 -19.2869 -19.2869 -19.2536 -19.2536 -18.8279 -18.8279 -18.7834 -18.7834 -18.6877 -18.6877 -18.6342 -18.6342 2.8044 2.8044 5.2522 5.2522 6.5185 6.5185 7.3807 7.3807 8.3328 8.3328 8.7168 8.7168 8.8543 8.8543 9.5667 9.5667 9.9112 9.9112 11.0233 11.0233 k =-0.5000 0.2542 0.6265 ( 3244 PWs) bands (ev): -40.2308 -40.2308 -40.2100 -40.2100 -19.2852 -19.2852 -19.2496 -19.2496 -18.8271 -18.8271 -18.7796 -18.7796 -18.6888 -18.6888 -18.6320 -18.6320 2.7056 2.7056 5.1643 5.1643 6.6652 6.6652 7.3479 7.3479 8.4011 8.4011 8.7828 8.7828 8.8424 8.8424 9.5945 9.5945 9.8595 9.8595 11.0019 11.0019 k =-0.5000 0.2542 0.6091 ( 3238 PWs) bands (ev): -40.2323 -40.2323 -40.2102 -40.2102 -19.2834 -19.2834 -19.2456 -19.2456 -18.8260 -18.8260 -18.7757 -18.7757 -18.6898 -18.6898 -18.6298 -18.6298 2.6093 2.6093 5.0763 5.0763 6.8141 6.8141 7.3160 7.3160 8.4453 8.4453 8.8497 8.8497 8.8501 8.8501 9.6234 9.6234 9.8091 9.8091 10.9813 10.9813 k =-0.5000 0.2542 0.5917 ( 3236 PWs) bands (ev): -40.2338 -40.2338 -40.2104 -40.2104 -19.2816 -19.2816 -19.2415 -19.2415 -18.8247 -18.8247 -18.7718 -18.7718 -18.6905 -18.6905 -18.6276 -18.6276 2.5154 2.5154 4.9891 4.9891 6.9641 6.9641 7.2848 7.2848 8.4601 8.4601 8.8811 8.8811 8.9187 8.9187 9.6532 9.6532 9.7601 9.7601 10.9616 10.9616 k =-0.5000 0.2542 0.5743 ( 3240 PWs) bands (ev): -40.2354 -40.2354 -40.2107 -40.2107 -19.2798 -19.2798 -19.2375 -19.2375 -18.8233 -18.8233 -18.7678 -18.7678 -18.6910 -18.6910 -18.6254 -18.6254 2.4240 2.4240 4.9031 4.9031 7.1146 7.1146 7.2543 7.2543 8.4494 8.4494 8.9323 8.9323 8.9885 8.9885 9.6833 9.6833 9.7131 9.7131 10.9428 10.9428 k =-0.5000 0.2542 0.5569 ( 3238 PWs) bands (ev): -40.2369 -40.2369 -40.2111 -40.2111 -19.2779 -19.2779 -19.2335 -19.2335 -18.8217 -18.8217 -18.7638 -18.7638 -18.6913 -18.6913 -18.6231 -18.6231 2.3352 2.3352 4.8187 4.8187 7.2241 7.2241 7.2654 7.2654 8.4215 8.4215 8.9947 8.9947 9.0597 9.0597 9.6645 9.6645 9.7175 9.7175 10.9252 10.9252 k =-0.5000 0.2542 0.5395 ( 3228 PWs) bands (ev): -40.2385 -40.2385 -40.2115 -40.2115 -19.2761 -19.2761 -19.2295 -19.2295 -18.8200 -18.8200 -18.7598 -18.7598 -18.6913 -18.6913 -18.6208 -18.6208 2.2490 2.2490 4.7360 4.7360 7.1954 7.1954 7.4144 7.4144 8.3832 8.3832 9.0612 9.0612 9.1321 9.1321 9.6198 9.6198 9.7508 9.7508 10.9093 10.9093 k =-0.5000 0.2542 0.5221 ( 3232 PWs) bands (ev): -40.2400 -40.2400 -40.2119 -40.2119 -19.2743 -19.2743 -19.2256 -19.2256 -18.8182 -18.8182 -18.7559 -18.7559 -18.6911 -18.6911 -18.6184 -18.6184 2.1653 2.1653 4.6552 4.6552 7.1672 7.1672 7.5622 7.5622 8.3386 8.3386 9.1271 9.1271 9.2057 9.2057 9.5761 9.5761 9.7857 9.7857 10.8957 10.8957 k =-0.5000 0.2542 0.5047 ( 3228 PWs) bands (ev): -40.2416 -40.2416 -40.2123 -40.2123 -19.2725 -19.2725 -19.2218 -19.2218 -18.8162 -18.8162 -18.7521 -18.7521 -18.6904 -18.6904 -18.6160 -18.6160 2.0841 2.0841 4.5764 4.5764 7.1397 7.1397 7.7077 7.7077 8.2901 8.2901 9.1898 9.1898 9.2805 9.2805 9.5337 9.5337 9.8224 9.8224 10.8849 10.8849 k =-0.5000 0.2542 0.4873 ( 3224 PWs) bands (ev): -40.2432 -40.2432 -40.2128 -40.2128 -19.2708 -19.2708 -19.2181 -19.2181 -18.8142 -18.8142 -18.7484 -18.7484 -18.6894 -18.6894 -18.6134 -18.6134 2.0056 2.0056 4.4997 4.4997 7.1128 7.1128 7.8500 7.8500 8.2391 8.2391 9.2474 9.2474 9.3564 9.3564 9.4928 9.4928 9.8611 9.8611 10.8779 10.8779 k =-0.5000 0.2542 0.4699 ( 3224 PWs) bands (ev): -40.2447 -40.2447 -40.2133 -40.2133 -19.2691 -19.2691 -19.2145 -19.2145 -18.8121 -18.8121 -18.7449 -18.7449 -18.6880 -18.6880 -18.6108 -18.6108 1.9297 1.9297 4.4251 4.4251 7.0867 7.0867 7.9881 7.9881 8.1864 8.1864 9.2986 9.2986 9.4330 9.4330 9.4538 9.4538 9.9021 9.9021 10.8753 10.8754 k =-0.5000 0.2542 0.4525 ( 3220 PWs) bands (ev): -40.2463 -40.2463 -40.2138 -40.2138 -19.2675 -19.2675 -19.2111 -19.2111 -18.8100 -18.8100 -18.7416 -18.7416 -18.6862 -18.6862 -18.6082 -18.6082 1.8564 1.8564 4.3528 4.3528 7.0612 7.0612 8.1209 8.1209 8.1328 8.1328 9.3426 9.3426 9.4151 9.4151 9.5118 9.5118 9.9459 9.9459 10.8782 10.8782 k =-0.5000 0.2542 0.4351 ( 3218 PWs) bands (ev): -40.2478 -40.2478 -40.2143 -40.2143 -19.2660 -19.2660 -19.2078 -19.2078 -18.8079 -18.8079 -18.7385 -18.7385 -18.6840 -18.6840 -18.6054 -18.6054 1.7857 1.7857 4.2828 4.2828 7.0366 7.0366 8.0785 8.0785 8.2474 8.2474 9.3762 9.3762 9.3812 9.3812 9.5908 9.5908 9.9928 9.9928 10.8869 10.8870 k =-0.5000 0.2542 0.4177 ( 3212 PWs) bands (ev): -40.2494 -40.2494 -40.2149 -40.2149 -19.2646 -19.2646 -19.2046 -19.2046 -18.8058 -18.8058 -18.7356 -18.7356 -18.6814 -18.6814 -18.6025 -18.6025 1.7177 1.7177 4.2151 4.2151 7.0127 7.0127 8.0242 8.0242 8.3659 8.3659 9.3432 9.3432 9.4074 9.4074 9.6709 9.6709 10.0436 10.0436 10.9020 10.9097 k =-0.5000 0.2542 0.4003 ( 3220 PWs) bands (ev): -40.2509 -40.2509 -40.2154 -40.2154 -19.2633 -19.2633 -19.2017 -19.2017 -18.8038 -18.8038 -18.7329 -18.7329 -18.6786 -18.6786 -18.5995 -18.5995 1.6524 1.6524 4.1499 4.1499 6.9895 6.9895 7.9700 7.9700 8.4753 8.4753 9.3096 9.3096 9.4278 9.4278 9.7519 9.7519 10.0986 10.0986 10.9425 10.9442 k =-0.5000 0.2542 0.3829 ( 3220 PWs) bands (ev): -40.2524 -40.2524 -40.2160 -40.2160 -19.2620 -19.2620 -19.1989 -19.1989 -18.8019 -18.8019 -18.7303 -18.7303 -18.6754 -18.6754 -18.5963 -18.5963 1.5898 1.5898 4.0871 4.0871 6.9671 6.9671 7.9164 7.9164 8.5743 8.5743 9.2775 9.2775 9.4408 9.4408 9.8337 9.8337 10.1585 10.1585 10.9193 10.9193 k =-0.5000 0.2542 0.3655 ( 3220 PWs) bands (ev): -40.2538 -40.2538 -40.2166 -40.2166 -19.2609 -19.2609 -19.1963 -19.1963 -18.8001 -18.8001 -18.7279 -18.7279 -18.6721 -18.6721 -18.5931 -18.5931 1.5298 1.5298 4.0268 4.0268 6.9455 6.9455 7.8635 7.8635 8.6618 8.6618 9.2467 9.2467 9.4470 9.4470 9.9164 9.9164 10.2234 10.2234 10.8970 10.8970 k =-0.5000 0.2542 0.3481 ( 3220 PWs) bands (ev): -40.2552 -40.2552 -40.2171 -40.2171 -19.2598 -19.2598 -19.1938 -19.1938 -18.7984 -18.7984 -18.7255 -18.7255 -18.6686 -18.6686 -18.5898 -18.5898 1.4726 1.4726 3.9690 3.9690 6.9247 6.9247 7.8116 7.8116 8.7373 8.7373 9.2174 9.2174 9.4473 9.4473 9.9998 9.9998 10.2932 10.2932 10.8804 10.8804 k =-0.5000 0.2542 0.3307 ( 3224 PWs) bands (ev): -40.2566 -40.2566 -40.2177 -40.2177 -19.2588 -19.2588 -19.1915 -19.1915 -18.7969 -18.7969 -18.7231 -18.7231 -18.6651 -18.6651 -18.5863 -18.5863 1.4180 1.4180 3.9138 3.9138 6.9048 6.9048 7.7608 7.7608 8.8004 8.8004 9.1896 9.1896 9.4424 9.4424 10.0838 10.0838 10.3672 10.3672 10.8695 10.8695 k =-0.5000 0.2542 0.3133 ( 3228 PWs) bands (ev): -40.2579 -40.2579 -40.2183 -40.2183 -19.2580 -19.2580 -19.1894 -19.1894 -18.7956 -18.7956 -18.7208 -18.7208 -18.6615 -18.6615 -18.5828 -18.5828 1.3662 1.3662 3.8612 3.8612 6.8857 6.8857 7.7115 7.7115 8.8515 8.8515 9.1632 9.1632 9.4334 9.4334 10.1683 10.1683 10.4443 10.4444 10.8644 10.8644 k =-0.5000 0.2542 0.2959 ( 3224 PWs) bands (ev): -40.2592 -40.2592 -40.2188 -40.2188 -19.2572 -19.2572 -19.1874 -19.1874 -18.7944 -18.7944 -18.7186 -18.7186 -18.6580 -18.6580 -18.5792 -18.5792 1.3171 1.3171 3.8112 3.8112 6.8674 6.8674 7.6638 7.6638 8.8915 8.8915 9.1382 9.1382 9.4212 9.4212 10.2534 10.2534 10.5230 10.5230 10.8650 10.8650 k =-0.5000 0.2542 0.2785 ( 3236 PWs) bands (ev): -40.2604 -40.2604 -40.2193 -40.2193 -19.2565 -19.2565 -19.1857 -19.1857 -18.7934 -18.7934 -18.7163 -18.7163 -18.6545 -18.6545 -18.5756 -18.5756 1.2708 1.2708 3.7639 3.7639 6.8501 6.8501 7.6178 7.6178 8.9211 8.9211 9.1148 9.1148 9.4065 9.4065 10.3387 10.3387 10.6010 10.6010 10.8714 10.8714 k =-0.5000 0.2542 0.2611 ( 3236 PWs) bands (ev): -40.2616 -40.2616 -40.2199 -40.2199 -19.2558 -19.2558 -19.1840 -19.1840 -18.7925 -18.7925 -18.7141 -18.7141 -18.6511 -18.6511 -18.5719 -18.5719 1.2272 1.2272 3.7193 3.7193 6.8337 6.8337 7.5739 7.5739 8.9420 8.9420 9.0927 9.0927 9.3902 9.3902 10.4244 10.4244 10.6757 10.6757 10.8840 10.8840 k =-0.5000 0.2542 0.2437 ( 3240 PWs) bands (ev): -40.2627 -40.2627 -40.2204 -40.2204 -19.2553 -19.2553 -19.1825 -19.1825 -18.7918 -18.7918 -18.7120 -18.7120 -18.6479 -18.6479 -18.5683 -18.5683 1.1865 1.1865 3.6775 3.6775 6.8182 6.8182 7.5320 7.5320 8.9555 8.9555 9.0721 9.0721 9.3728 9.3728 10.5101 10.5101 10.7438 10.7438 10.9037 10.9037 k =-0.5000 0.2542 0.2263 ( 3236 PWs) bands (ev): -40.2637 -40.2637 -40.2208 -40.2208 -19.2548 -19.2548 -19.1812 -19.1812 -18.7912 -18.7912 -18.7099 -18.7099 -18.6447 -18.6447 -18.5646 -18.5646 1.1484 1.1484 3.6384 3.6384 6.8036 6.8036 7.4924 7.4924 8.9630 8.9630 9.0530 9.0530 9.3549 9.3549 10.5959 10.5959 10.8016 10.8016 10.9320 10.9320 k =-0.5000 0.2542 0.2088 ( 3236 PWs) bands (ev): -40.2647 -40.2647 -40.2213 -40.2213 -19.2544 -19.2544 -19.1800 -19.1800 -18.7907 -18.7907 -18.7079 -18.7079 -18.6418 -18.6418 -18.5611 -18.5611 1.1132 1.1132 3.6021 3.6021 6.7901 6.7901 7.4551 7.4551 8.9656 8.9656 9.0354 9.0354 9.3369 9.3369 10.6815 10.6815 10.8469 10.8469 10.9692 10.9692 k =-0.5000 0.2542 0.1914 ( 3238 PWs) bands (ev): -40.2656 -40.2656 -40.2217 -40.2217 -19.2540 -19.2540 -19.1789 -19.1789 -18.7903 -18.7903 -18.7060 -18.7060 -18.6390 -18.6390 -18.5577 -18.5577 1.0807 1.0807 3.5686 3.5686 6.7775 6.7775 7.4204 7.4204 8.9646 8.9646 9.0191 9.0191 9.3193 9.3193 10.7666 10.7666 10.8821 10.8821 11.0117 11.0117 k =-0.5000 0.2542 0.1740 ( 3234 PWs) bands (ev): -40.2665 -40.2665 -40.2221 -40.2221 -19.2537 -19.2537 -19.1779 -19.1779 -18.7900 -18.7900 -18.7042 -18.7042 -18.6363 -18.6363 -18.5545 -18.5545 1.0511 1.0511 3.5380 3.5380 6.7660 6.7660 7.3883 7.3883 8.9609 8.9609 9.0043 9.0043 9.3024 9.3024 10.8510 10.8510 10.9116 10.9116 11.0538 11.0538 k =-0.5000 0.2542 0.1566 ( 3234 PWs) bands (ev): -40.2673 -40.2673 -40.2225 -40.2225 -19.2534 -19.2534 -19.1770 -19.1770 -18.7897 -18.7897 -18.7025 -18.7025 -18.6339 -18.6339 -18.5514 -18.5514 1.0242 1.0242 3.5102 3.5102 6.7555 6.7555 7.3589 7.3589 8.9554 8.9554 8.9908 8.9908 9.2864 9.2864 10.9308 10.9308 10.9420 10.9420 11.0920 11.0920 k =-0.5000 0.2542 0.1392 ( 3232 PWs) bands (ev): -40.2680 -40.2680 -40.2228 -40.2228 -19.2532 -19.2532 -19.1763 -19.1763 -18.7895 -18.7895 -18.7010 -18.7010 -18.6316 -18.6316 -18.5486 -18.5486 1.0002 1.0002 3.4852 3.4852 6.7461 6.7461 7.3324 7.3324 8.9489 8.9489 8.9788 8.9788 9.2716 9.2716 10.9617 10.9617 11.0184 11.0184 11.1246 11.1246 k =-0.5000 0.2542 0.1218 ( 3236 PWs) bands (ev): -40.2686 -40.2686 -40.2231 -40.2231 -19.2530 -19.2530 -19.1756 -19.1756 -18.7894 -18.7894 -18.6997 -18.6997 -18.6297 -18.6297 -18.5460 -18.5460 0.9790 0.9790 3.4632 3.4632 6.7377 6.7377 7.3088 7.3088 8.9418 8.9418 8.9682 8.9682 9.2582 9.2582 10.9854 10.9854 11.0990 11.0990 11.1511 11.1511 k =-0.5000 0.2542 0.1044 ( 3228 PWs) bands (ev): -40.2691 -40.2691 -40.2234 -40.2234 -19.2528 -19.2528 -19.1751 -19.1751 -18.7893 -18.7893 -18.6985 -18.6985 -18.6279 -18.6279 -18.5437 -18.5437 0.9606 0.9606 3.4441 3.4441 6.7305 6.7305 7.2882 7.2882 8.9348 8.9348 8.9591 8.9591 9.2463 9.2463 11.0077 11.0077 11.1708 11.1708 11.1783 11.1783 k =-0.5000 0.2542 0.0870 ( 3232 PWs) bands (ev): -40.2696 -40.2696 -40.2236 -40.2236 -19.2527 -19.2527 -19.1746 -19.1746 -18.7893 -18.7893 -18.6975 -18.6975 -18.6264 -18.6264 -18.5417 -18.5417 0.9450 0.9450 3.4279 3.4279 6.7243 6.7243 7.2706 7.2706 8.9282 8.9282 8.9513 8.9513 9.2361 9.2361 11.0282 11.0282 11.1864 11.1864 11.2529 11.2529 k =-0.5000 0.2542 0.0696 ( 3222 PWs) bands (ev): -40.2700 -40.2700 -40.2238 -40.2238 -19.2525 -19.2525 -19.1743 -19.1743 -18.7892 -18.7892 -18.6967 -18.6967 -18.6251 -18.6251 -18.5401 -18.5401 0.9322 0.9322 3.4146 3.4146 6.7193 6.7193 7.2562 7.2562 8.9225 8.9225 8.9451 8.9451 9.2276 9.2276 11.0467 11.0467 11.1967 11.1967 11.3236 11.3236 k =-0.5000 0.2542 0.0522 ( 3230 PWs) bands (ev): -40.2703 -40.2703 -40.2239 -40.2239 -19.2525 -19.2525 -19.1740 -19.1740 -18.7892 -18.7892 -18.6961 -18.6961 -18.6241 -18.6241 -18.5388 -18.5388 0.9223 0.9223 3.4042 3.4042 6.7153 6.7153 7.2449 7.2449 8.9177 8.9177 8.9401 8.9401 9.2208 9.2208 11.0623 11.0623 11.2031 11.2031 11.3874 11.3874 k =-0.5000 0.2542 0.0348 ( 3234 PWs) bands (ev): -40.2705 -40.2705 -40.2240 -40.2240 -19.2524 -19.2524 -19.1738 -19.1738 -18.7892 -18.7892 -18.6957 -18.6957 -18.6234 -18.6234 -18.5379 -18.5379 0.9152 0.9152 3.3968 3.3968 6.7125 6.7125 7.2368 7.2368 8.9142 8.9142 8.9366 8.9366 9.2160 9.2160 11.0744 11.0744 11.2066 11.2066 11.4406 11.4406 k =-0.5000 0.2542 0.0174 ( 3234 PWs) bands (ev): -40.2706 -40.2706 -40.2241 -40.2241 -19.2524 -19.2524 -19.1737 -19.1737 -18.7891 -18.7891 -18.6954 -18.6954 -18.6230 -18.6230 -18.5373 -18.5373 0.9110 0.9110 3.3924 3.3924 6.7108 6.7108 7.2319 7.2319 8.9120 8.9120 8.9345 8.9345 9.2131 9.2131 11.0821 11.0821 11.2081 11.2081 11.4774 11.4774 k =-0.5000 0.2542 0.0000 ( 3236 PWs) bands (ev): -40.2707 -40.2707 -40.2241 -40.2241 -19.2524 -19.2524 -19.1736 -19.1736 -18.7891 -18.7891 -18.6953 -18.6953 -18.6228 -18.6228 -18.5372 -18.5372 0.9096 0.9096 3.3909 3.3909 6.7102 6.7102 7.2303 7.2303 8.9113 8.9113 8.9338 8.9338 9.2121 9.2121 11.0847 11.0847 11.2085 11.2085 11.4909 11.4909 k = 0.0000 0.0000 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2847 -19.2847 -19.2847 -19.2847 -18.8147 -18.8147 -18.8147 -18.8147 -18.6788 -18.6788 -18.6788 -18.6788 4.0173 4.0173 4.0173 4.0173 7.6949 7.6949 7.6949 7.6949 8.0151 8.0151 8.0151 8.0151 8.8954 8.8954 8.8954 8.8954 11.7839 11.7839 11.7839 11.7839 k =-0.0156 0.0079 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2847 -19.2847 -19.2847 -19.2847 -18.8147 -18.8147 -18.8147 -18.8147 -18.6787 -18.6787 -18.6787 -18.6787 4.0180 4.0180 4.0180 4.0180 7.6954 7.6954 7.6954 7.6954 8.0134 8.0134 8.0134 8.0134 8.8933 8.8933 8.8933 8.8933 11.7890 11.7890 11.7890 11.8107 k =-0.0312 0.0159 0.8876 ( 3210 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2848 -19.2848 -19.2848 -19.2848 -18.8147 -18.8147 -18.8147 -18.8147 -18.6786 -18.6786 -18.6786 -18.6786 4.0203 4.0203 4.0203 4.0203 7.6969 7.6969 7.6969 7.6969 8.0081 8.0081 8.0081 8.0081 8.8874 8.8874 8.8874 8.8874 11.7964 11.7964 11.7964 11.7964 k =-0.0469 0.0238 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2849 -19.2849 -19.2849 -19.2849 -18.8148 -18.8148 -18.8148 -18.8148 -18.6784 -18.6784 -18.6784 -18.6784 4.0240 4.0240 4.0240 4.0240 7.6994 7.6994 7.6994 7.6994 7.9992 7.9992 7.9992 7.9992 8.8781 8.8781 8.8781 8.8781 11.7745 11.7745 11.7745 11.7745 k =-0.0625 0.0318 0.8876 ( 3206 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2850 -19.2850 -19.2850 -19.2850 -18.8150 -18.8150 -18.8150 -18.8150 -18.6781 -18.6781 -18.6781 -18.6781 4.0293 4.0293 4.0293 4.0293 7.7029 7.7029 7.7029 7.7029 7.9861 7.9861 7.9861 7.9861 8.8665 8.8665 8.8665 8.8665 11.7449 11.7449 11.7449 11.7449 k =-0.0781 0.0397 0.8876 ( 3200 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2852 -19.2852 -19.2852 -19.2852 -18.8151 -18.8151 -18.8151 -18.8151 -18.6777 -18.6777 -18.6777 -18.6777 4.0360 4.0360 4.0360 4.0360 7.7073 7.7073 7.7073 7.7073 7.9686 7.9686 7.9686 7.9686 8.8538 8.8538 8.8538 8.8538 11.7091 11.7091 11.7091 11.7091 k =-0.0938 0.0477 0.8876 ( 3204 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2854 -19.2854 -19.2854 -19.2854 -18.8153 -18.8153 -18.8153 -18.8153 -18.6773 -18.6773 -18.6773 -18.6773 4.0442 4.0442 4.0442 4.0442 7.7126 7.7126 7.7126 7.7126 7.9460 7.9460 7.9460 7.9460 8.8411 8.8411 8.8411 8.8411 11.6683 11.6683 11.6683 11.6683 k =-0.1094 0.0556 0.8876 ( 3198 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2857 -19.2857 -19.2857 -19.2857 -18.8155 -18.8155 -18.8155 -18.8155 -18.6769 -18.6769 -18.6769 -18.6769 4.0538 4.0538 4.0538 4.0538 7.7189 7.7189 7.7189 7.7189 7.9182 7.9182 7.9182 7.9182 8.8298 8.8298 8.8298 8.8298 11.6236 11.6236 11.6236 11.6236 k =-0.1250 0.0635 0.8876 ( 3208 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2860 -19.2860 -19.2860 -19.2860 -18.8158 -18.8158 -18.8158 -18.8158 -18.6763 -18.6763 -18.6763 -18.6763 4.0647 4.0647 4.0647 4.0647 7.7259 7.7259 7.7259 7.7259 7.8848 7.8848 7.8848 7.8848 8.8210 8.8210 8.8210 8.8210 11.5760 11.5760 11.5760 11.5760 k =-0.1406 0.0715 0.8876 ( 3210 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2863 -19.2863 -19.2863 -19.2863 -18.8161 -18.8161 -18.8161 -18.8161 -18.6758 -18.6758 -18.6758 -18.6758 4.0770 4.0770 4.0770 4.0770 7.7337 7.7337 7.7337 7.7337 7.8459 7.8459 7.8459 7.8459 8.8157 8.8157 8.8157 8.8157 11.5263 11.5263 11.5263 11.5263 k =-0.1562 0.0794 0.8876 ( 3218 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2866 -19.2866 -19.2866 -19.2866 -18.8164 -18.8164 -18.8164 -18.8164 -18.6752 -18.6752 -18.6752 -18.6752 4.0905 4.0905 4.0905 4.0905 7.7422 7.7422 7.7422 7.7422 7.8017 7.8017 7.8017 7.8017 8.8142 8.8142 8.8142 8.8142 11.4752 11.4752 11.4752 11.4752 k =-0.1719 0.0874 0.8876 ( 3222 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2870 -19.2870 -19.2870 -19.2870 -18.8167 -18.8167 -18.8167 -18.8167 -18.6745 -18.6745 -18.6745 -18.6745 4.1052 4.1052 4.1052 4.1052 7.7491 7.7491 7.7491 7.7491 7.7551 7.7551 7.7551 7.7551 8.8171 8.8171 8.8171 8.8171 11.4233 11.4233 11.4233 11.4233 k =-0.1875 0.0953 0.8876 ( 3226 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2874 -19.2874 -19.2874 -19.2874 -18.8170 -18.8170 -18.8170 -18.8170 -18.6738 -18.6738 -18.6738 -18.6738 4.1210 4.1210 4.1210 4.1210 7.6991 7.6991 7.6991 7.6991 7.7617 7.7617 7.7617 7.7617 8.8241 8.8241 8.8241 8.8241 11.3712 11.3712 11.3712 11.3712 k =-0.2031 0.1033 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2878 -19.2878 -19.2878 -19.2878 -18.8174 -18.8174 -18.8174 -18.8174 -18.6731 -18.6731 -18.6731 -18.6731 4.1379 4.1379 4.1379 4.1379 7.6425 7.6425 7.6425 7.6425 7.7721 7.7721 7.7721 7.7721 8.8352 8.8352 8.8352 8.8352 11.3192 11.3192 11.3192 11.3192 k =-0.2188 0.1112 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2882 -19.2882 -19.2882 -19.2882 -18.8177 -18.8177 -18.8177 -18.8177 -18.6724 -18.6724 -18.6724 -18.6724 4.1557 4.1557 4.1557 4.1557 7.5832 7.5832 7.5832 7.5832 7.7830 7.7830 7.7830 7.7830 8.8502 8.8502 8.8502 8.8502 11.2677 11.2677 11.2677 11.2677 k =-0.2344 0.1191 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2886 -19.2886 -19.2886 -19.2886 -18.8181 -18.8181 -18.8181 -18.8181 -18.6716 -18.6716 -18.6716 -18.6716 4.1743 4.1743 4.1743 4.1743 7.5221 7.5221 7.5221 7.5221 7.7943 7.7943 7.7943 7.7943 8.8685 8.8685 8.8685 8.8685 11.2172 11.2172 11.2172 11.2172 k =-0.2500 0.1271 0.8876 ( 3230 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2890 -19.2890 -19.2890 -19.2890 -18.8184 -18.8184 -18.8184 -18.8184 -18.6708 -18.6708 -18.6708 -18.6708 4.1935 4.1935 4.1935 4.1935 7.4600 7.4600 7.4600 7.4600 7.8058 7.8058 7.8058 7.8058 8.8899 8.8899 8.8899 8.8899 11.1678 11.1678 11.1678 11.1678 k =-0.2656 0.1350 0.8876 ( 3234 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2894 -19.2894 -19.2894 -19.2894 -18.8187 -18.8187 -18.8187 -18.8187 -18.6701 -18.6701 -18.6701 -18.6701 4.2134 4.2134 4.2134 4.2134 7.3975 7.3975 7.3975 7.3975 7.8175 7.8175 7.8175 7.8175 8.9138 8.9138 8.9138 8.9138 11.1199 11.1199 11.1199 11.1199 k =-0.2812 0.1430 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2898 -19.2898 -19.2898 -19.2898 -18.8191 -18.8191 -18.8191 -18.8191 -18.6693 -18.6693 -18.6693 -18.6693 4.2335 4.2335 4.2335 4.2335 7.3355 7.3355 7.3355 7.3355 7.8293 7.8293 7.8293 7.8293 8.9397 8.9397 8.9397 8.9397 11.0738 11.0738 11.0738 11.0738 k =-0.2969 0.1509 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2902 -19.2902 -19.2902 -19.2902 -18.8194 -18.8194 -18.8194 -18.8194 -18.6686 -18.6686 -18.6686 -18.6686 4.2539 4.2539 4.2539 4.2539 7.2745 7.2745 7.2745 7.2745 7.8410 7.8410 7.8410 7.8410 8.9673 8.9673 8.9673 8.9673 11.0297 11.0297 11.0297 11.0297 k =-0.3125 0.1589 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2906 -19.2906 -19.2906 -19.2906 -18.8197 -18.8197 -18.8197 -18.8197 -18.6679 -18.6679 -18.6679 -18.6679 4.2743 4.2743 4.2743 4.2743 7.2152 7.2152 7.2152 7.2152 7.8525 7.8525 7.8525 7.8525 8.9961 8.9961 8.9961 8.9961 10.9877 10.9877 10.9877 10.9877 k =-0.3281 0.1668 0.8876 ( 3230 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2910 -19.2910 -19.2910 -19.2910 -18.8200 -18.8200 -18.8200 -18.8200 -18.6672 -18.6672 -18.6672 -18.6672 4.2945 4.2945 4.2945 4.2945 7.1582 7.1582 7.1582 7.1582 7.8637 7.8637 7.8637 7.8637 9.0256 9.0256 9.0256 9.0256 10.9483 10.9483 10.9483 10.9483 k =-0.3438 0.1747 0.8876 ( 3244 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2913 -19.2913 -19.2913 -19.2913 -18.8203 -18.8203 -18.8203 -18.8203 -18.6666 -18.6666 -18.6666 -18.6666 4.3141 4.3141 4.3141 4.3141 7.1039 7.1039 7.1039 7.1039 7.8745 7.8745 7.8745 7.8745 9.0551 9.0551 9.0551 9.0551 10.9114 10.9114 10.9114 10.9114 k =-0.3594 0.1827 0.8876 ( 3238 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2917 -19.2917 -19.2917 -19.2917 -18.8205 -18.8205 -18.8205 -18.8205 -18.6660 -18.6660 -18.6660 -18.6660 4.3331 4.3331 4.3331 4.3331 7.0530 7.0530 7.0530 7.0530 7.8848 7.8848 7.8848 7.8848 9.0844 9.0844 9.0844 9.0844 10.8774 10.8774 10.8774 10.8774 k =-0.3750 0.1906 0.8876 ( 3242 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2920 -19.2920 -19.2920 -19.2920 -18.8208 -18.8208 -18.8208 -18.8208 -18.6655 -18.6655 -18.6655 -18.6655 4.3511 4.3511 4.3511 4.3511 7.0059 7.0059 7.0059 7.0059 7.8943 7.8943 7.8943 7.8943 9.1127 9.1127 9.1127 9.1127 10.8464 10.8464 10.8464 10.8464 k =-0.3906 0.1986 0.8876 ( 3246 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2923 -19.2923 -19.2923 -19.2923 -18.8210 -18.8210 -18.8210 -18.8210 -18.6650 -18.6650 -18.6650 -18.6650 4.3678 4.3678 4.3678 4.3678 6.9631 6.9631 6.9631 6.9631 7.9031 7.9031 7.9031 7.9031 9.1396 9.1396 9.1396 9.1396 10.8186 10.8186 10.8186 10.8186 k =-0.4062 0.2065 0.8876 ( 3244 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2925 -19.2925 -19.2925 -19.2925 -18.8212 -18.8212 -18.8212 -18.8212 -18.6646 -18.6646 -18.6646 -18.6646 4.3830 4.3830 4.3830 4.3830 6.9249 6.9249 6.9249 6.9249 7.9110 7.9110 7.9110 7.9110 9.1644 9.1644 9.1644 9.1644 10.7942 10.7942 10.7942 10.7942 k =-0.4219 0.2145 0.8876 ( 3244 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2927 -19.2927 -19.2927 -19.2927 -18.8213 -18.8213 -18.8213 -18.8213 -18.6642 -18.6642 -18.6642 -18.6642 4.3964 4.3964 4.3964 4.3964 6.8919 6.8919 6.8919 6.8919 7.9179 7.9179 7.9179 7.9179 9.1867 9.1867 9.1867 9.1867 10.7733 10.7733 10.7733 10.7733 k =-0.4375 0.2224 0.8876 ( 3240 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2929 -19.2929 -19.2929 -19.2929 -18.8214 -18.8214 -18.8214 -18.8214 -18.6639 -18.6639 -18.6639 -18.6639 4.4078 4.4078 4.4078 4.4078 6.8643 6.8643 6.8643 6.8643 7.9237 7.9237 7.9237 7.9237 9.2059 9.2059 9.2059 9.2059 10.7560 10.7560 10.7560 10.7560 k =-0.4531 0.2303 0.8876 ( 3248 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2930 -19.2930 -19.2930 -19.2930 -18.8216 -18.8216 -18.8216 -18.8216 -18.6637 -18.6637 -18.6637 -18.6637 4.4169 4.4169 4.4169 4.4169 6.8425 6.8425 6.8425 6.8425 7.9282 7.9282 7.9282 7.9282 9.2214 9.2214 9.2214 9.2214 10.7423 10.7423 10.7423 10.7423 k =-0.4688 0.2383 0.8876 ( 3248 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2931 -19.2931 -19.2931 -19.2931 -18.8216 -18.8216 -18.8216 -18.8216 -18.6635 -18.6635 -18.6635 -18.6635 4.4236 4.4236 4.4236 4.4236 6.8267 6.8267 6.8267 6.8267 7.9315 7.9315 7.9315 7.9315 9.2328 9.2328 9.2328 9.2328 10.7326 10.7326 10.7326 10.7326 k =-0.4844 0.2462 0.8876 ( 3256 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2932 -19.2932 -19.2932 -19.2932 -18.8217 -18.8217 -18.8217 -18.8217 -18.6634 -18.6634 -18.6634 -18.6634 4.4276 4.4276 4.4276 4.4276 6.8172 6.8172 6.8172 6.8172 7.9335 7.9335 7.9335 7.9335 9.2397 9.2397 9.2397 9.2397 10.7267 10.7267 10.7267 10.7267 k =-0.5000 0.2542 0.8876 ( 3268 PWs) bands (ev): -40.2137 -40.2137 -40.2137 -40.2137 -19.2933 -19.2933 -19.2933 -19.2933 -18.8217 -18.8217 -18.8217 -18.8217 -18.6634 -18.6634 -18.6634 -18.6634 4.4290 4.4290 4.4290 4.4290 6.8140 6.8140 6.8140 6.8140 7.9341 7.9341 7.9341 7.9341 9.2421 9.2421 9.2421 9.2421 10.7247 10.7247 10.7247 10.7247 Writing output data file ScAl.save init_run : 0.28s CPU 0.44s WALL ( 1 calls) electrons : 220.48s CPU 224.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 220.48s CPU 224.21s 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 : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 444 calls) cegterg : 203.66s CPU 206.81s WALL ( 1221 calls) Called by sum_band: Called by *egterg: h_psi : 99.44s CPU 101.34s WALL ( 22444 calls) s_psi : 7.11s CPU 7.29s WALL ( 22444 calls) g_psi : 0.30s CPU 0.28s WALL ( 20779 calls) cdiaghg : 88.05s CPU 89.60s WALL ( 21223 calls) cegterg:over : 6.15s CPU 6.07s WALL ( 20779 calls) cegterg:upda : 5.18s CPU 5.29s WALL ( 20779 calls) cegterg:last : 2.67s CPU 2.51s WALL ( 2709 calls) cdiaghg:chol : 4.62s CPU 4.74s WALL ( 21223 calls) cdiaghg:inve : 2.28s CPU 2.30s WALL ( 21223 calls) cdiaghg:para : 5.02s CPU 5.19s WALL ( 42446 calls) Called by h_psi: h_psi:vloc : 83.66s CPU 85.28s WALL ( 22444 calls) h_psi:vnl : 15.59s CPU 15.82s WALL ( 22444 calls) add_vuspsi : 8.54s CPU 8.45s WALL ( 22444 calls) General routines calbec : 6.96s CPU 7.32s WALL ( 22444 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 74.82s CPU 76.21s WALL ( 1196076 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.18s WALL ( 888 calls) Parallel routines fft_scatter : 31.53s CPU 31.92s WALL ( 1196099 calls) PWSCF : 3m54.66s CPU 4m14.26s WALL This run was terminated on: 19:45:32 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=