Program PWSCF v.5.1.1 starts on 15Oct2015 at 18:44:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CoAsS.save/ file Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 20 6 760 508 84 Max 27 21 7 766 527 89 Sum 1265 979 295 36551 24885 4147 bravais-lattice index = 14 lattice parameter (alat) = 10.3954 a.u. unit-cell volume = 590.1996 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.395383 celldm(2)= 0.620069 celldm(3)= 0.847300 celldm(4)= 0.000524 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.620069 0.000000 ) a(3) = ( 0.000000 0.000444 0.847300 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.612724 -0.000844 ) b(3) = ( 0.000000 0.000000 1.180219 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Co read from file: /home/autes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 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 S 6.00 32.06500 S( 1.00) As 5.00 74.92160 As( 1.00) Co 9.00 58.93320 Co( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0173562), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0347123), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0520685), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0694246), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0867808), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.1041370), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.1214931), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.1388493), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.1562055), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.1735616), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.1909178), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.2082739), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.2256301), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.2429863), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.2603424), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.2776986), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.2950547), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.3124109), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.3297671), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.3471232), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.3644794), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.3818356), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.3991917), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.4165479), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.4339040), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.4512602), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.4686164), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.4859725), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.5033287), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.5206849), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.5380410), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.5553972), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.5727533), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.5901095), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.5901095), wk = 0.0030303 k( 37) = ( 0.0000000 0.0171501 0.5901095), wk = 0.0030303 k( 38) = ( 0.0000000 0.0343001 0.5901095), wk = 0.0030303 k( 39) = ( 0.0000000 0.0514502 0.5901095), wk = 0.0030303 k( 40) = ( 0.0000000 0.0686003 0.5901095), wk = 0.0030303 k( 41) = ( 0.0000000 0.0857503 0.5901095), wk = 0.0030303 k( 42) = ( 0.0000000 0.1029004 0.5901095), wk = 0.0030303 k( 43) = ( 0.0000000 0.1200504 0.5901095), wk = 0.0030303 k( 44) = ( 0.0000000 0.1372005 0.5901095), wk = 0.0030303 k( 45) = ( 0.0000000 0.1543506 0.5901095), wk = 0.0030303 k( 46) = ( 0.0000000 0.1715006 0.5901095), wk = 0.0030303 k( 47) = ( 0.0000000 0.1886507 0.5901095), wk = 0.0030303 k( 48) = ( 0.0000000 0.2058008 0.5901095), wk = 0.0030303 k( 49) = ( 0.0000000 0.2229508 0.5901095), wk = 0.0030303 k( 50) = ( 0.0000000 0.2401009 0.5901095), wk = 0.0030303 k( 51) = ( 0.0000000 0.2572510 0.5901095), wk = 0.0030303 k( 52) = ( 0.0000000 0.2744010 0.5901095), wk = 0.0030303 k( 53) = ( 0.0000000 0.2915511 0.5901095), wk = 0.0030303 k( 54) = ( 0.0000000 0.3087012 0.5901095), wk = 0.0030303 k( 55) = ( 0.0000000 0.3258512 0.5901095), wk = 0.0030303 k( 56) = ( 0.0000000 0.3430013 0.5901095), wk = 0.0030303 k( 57) = ( 0.0000000 0.3601513 0.5901095), wk = 0.0030303 k( 58) = ( 0.0000000 0.3773014 0.5901095), wk = 0.0030303 k( 59) = ( 0.0000000 0.3944515 0.5901095), wk = 0.0030303 k( 60) = ( 0.0000000 0.4116015 0.5901095), wk = 0.0030303 k( 61) = ( 0.0000000 0.4287516 0.5901095), wk = 0.0030303 k( 62) = ( 0.0000000 0.4459017 0.5901095), wk = 0.0030303 k( 63) = ( 0.0000000 0.4630517 0.5901095), wk = 0.0030303 k( 64) = ( 0.0000000 0.4802018 0.5901095), wk = 0.0030303 k( 65) = ( 0.0000000 0.4973519 0.5901095), wk = 0.0030303 k( 66) = ( 0.0000000 0.5145019 0.5901095), wk = 0.0030303 k( 67) = ( 0.0000000 0.5316520 0.5901095), wk = 0.0030303 k( 68) = ( 0.0000000 0.5488020 0.5901095), wk = 0.0030303 k( 69) = ( 0.0000000 0.5659521 0.5901095), wk = 0.0030303 k( 70) = ( 0.0000000 0.5831022 0.5901095), wk = 0.0030303 k( 71) = ( 0.0000000 0.6002522 0.5901095), wk = 0.0030303 k( 72) = ( 0.0000000 0.6174023 0.5901095), wk = 0.0030303 k( 73) = ( 0.0000000 0.6345524 0.5901095), wk = 0.0030303 k( 74) = ( 0.0000000 0.6517024 0.5901095), wk = 0.0030303 k( 75) = ( 0.0000000 0.6688525 0.5901095), wk = 0.0030303 k( 76) = ( 0.0000000 0.6860026 0.5901095), wk = 0.0030303 k( 77) = ( 0.0000000 0.7031526 0.5901095), wk = 0.0030303 k( 78) = ( 0.0000000 0.7203027 0.5901095), wk = 0.0030303 k( 79) = ( 0.0000000 0.7374528 0.5901095), wk = 0.0030303 k( 80) = ( 0.0000000 0.7546028 0.5901095), wk = 0.0030303 k( 81) = ( 0.0000000 0.7717529 0.5901095), wk = 0.0030303 k( 82) = ( 0.0000000 0.7889029 0.5901095), wk = 0.0030303 k( 83) = ( 0.0000000 0.8060530 0.5901095), wk = 0.0030303 k( 84) = ( 0.0000000 0.8060530 0.5901095), wk = 0.0030303 k( 85) = ( 0.0000000 0.8063618 0.5896873), wk = 0.0030303 k( 86) = ( 0.0000000 0.8063618 0.5896873), wk = 0.0030303 k( 87) = ( 0.0172414 0.8063618 0.5896873), wk = 0.0030303 k( 88) = ( 0.0344828 0.8063618 0.5896873), wk = 0.0030303 k( 89) = ( 0.0517241 0.8063618 0.5896873), wk = 0.0030303 k( 90) = ( 0.0689655 0.8063618 0.5896873), wk = 0.0030303 k( 91) = ( 0.0862069 0.8063618 0.5896873), wk = 0.0030303 k( 92) = ( 0.1034483 0.8063618 0.5896873), wk = 0.0030303 k( 93) = ( 0.1206897 0.8063618 0.5896873), wk = 0.0030303 k( 94) = ( 0.1379310 0.8063618 0.5896873), wk = 0.0030303 k( 95) = ( 0.1551724 0.8063618 0.5896873), wk = 0.0030303 k( 96) = ( 0.1724138 0.8063618 0.5896873), wk = 0.0030303 k( 97) = ( 0.1896552 0.8063618 0.5896873), wk = 0.0030303 k( 98) = ( 0.2068966 0.8063618 0.5896873), wk = 0.0030303 k( 99) = ( 0.2241379 0.8063618 0.5896873), wk = 0.0030303 k( 100) = ( 0.2413793 0.8063618 0.5896873), wk = 0.0030303 k( 101) = ( 0.2586207 0.8063618 0.5896873), wk = 0.0030303 k( 102) = ( 0.2758621 0.8063618 0.5896873), wk = 0.0030303 k( 103) = ( 0.2931034 0.8063618 0.5896873), wk = 0.0030303 k( 104) = ( 0.3103448 0.8063618 0.5896873), wk = 0.0030303 k( 105) = ( 0.3275862 0.8063618 0.5896873), wk = 0.0030303 k( 106) = ( 0.3448276 0.8063618 0.5896873), wk = 0.0030303 k( 107) = ( 0.3620690 0.8063618 0.5896873), wk = 0.0030303 k( 108) = ( 0.3793103 0.8063618 0.5896873), wk = 0.0030303 k( 109) = ( 0.3965517 0.8063618 0.5896873), wk = 0.0030303 k( 110) = ( 0.4137931 0.8063618 0.5896873), wk = 0.0030303 k( 111) = ( 0.4310345 0.8063618 0.5896873), wk = 0.0030303 k( 112) = ( 0.4482759 0.8063618 0.5896873), wk = 0.0030303 k( 113) = ( 0.4655172 0.8063618 0.5896873), wk = 0.0030303 k( 114) = ( 0.4827586 0.8063618 0.5896873), wk = 0.0030303 k( 115) = ( 0.5000000 0.8063618 0.5896873), wk = 0.0030303 k( 116) = ( 0.5000000 0.8063618 0.5896873), wk = 0.0030303 k( 117) = ( 0.5000000 0.8066705 0.5892651), wk = 0.0030303 k( 118) = ( 0.5000000 0.8066705 0.5892651), wk = 0.0030303 k( 119) = ( 0.5000000 0.8066614 0.5719213), wk = 0.0030303 k( 120) = ( 0.5000000 0.8066524 0.5545776), wk = 0.0030303 k( 121) = ( 0.5000000 0.8066433 0.5372338), wk = 0.0030303 k( 122) = ( 0.5000000 0.8066342 0.5198901), wk = 0.0030303 k( 123) = ( 0.5000000 0.8066251 0.5025464), wk = 0.0030303 k( 124) = ( 0.5000000 0.8066160 0.4852026), wk = 0.0030303 k( 125) = ( 0.5000000 0.8066070 0.4678589), wk = 0.0030303 k( 126) = ( 0.5000000 0.8065979 0.4505151), wk = 0.0030303 k( 127) = ( 0.5000000 0.8065888 0.4331714), wk = 0.0030303 k( 128) = ( 0.5000000 0.8065797 0.4158276), wk = 0.0030303 k( 129) = ( 0.5000000 0.8065706 0.3984839), wk = 0.0030303 k( 130) = ( 0.5000000 0.8065616 0.3811402), wk = 0.0030303 k( 131) = ( 0.5000000 0.8065525 0.3637964), wk = 0.0030303 k( 132) = ( 0.5000000 0.8065434 0.3464527), wk = 0.0030303 k( 133) = ( 0.5000000 0.8065343 0.3291089), wk = 0.0030303 k( 134) = ( 0.5000000 0.8065252 0.3117652), wk = 0.0030303 k( 135) = ( 0.5000000 0.8065162 0.2944214), wk = 0.0030303 k( 136) = ( 0.5000000 0.8065071 0.2770777), wk = 0.0030303 k( 137) = ( 0.5000000 0.8064980 0.2597339), wk = 0.0030303 k( 138) = ( 0.5000000 0.8064889 0.2423902), wk = 0.0030303 k( 139) = ( 0.5000000 0.8064798 0.2250465), wk = 0.0030303 k( 140) = ( 0.5000000 0.8064707 0.2077027), wk = 0.0030303 k( 141) = ( 0.5000000 0.8064617 0.1903590), wk = 0.0030303 k( 142) = ( 0.5000000 0.8064526 0.1730152), wk = 0.0030303 k( 143) = ( 0.5000000 0.8064435 0.1556715), wk = 0.0030303 k( 144) = ( 0.5000000 0.8064344 0.1383277), wk = 0.0030303 k( 145) = ( 0.5000000 0.8064253 0.1209840), wk = 0.0030303 k( 146) = ( 0.5000000 0.8064163 0.1036403), wk = 0.0030303 k( 147) = ( 0.5000000 0.8064072 0.0862965), wk = 0.0030303 k( 148) = ( 0.5000000 0.8063981 0.0689528), wk = 0.0030303 k( 149) = ( 0.5000000 0.8063890 0.0516090), wk = 0.0030303 k( 150) = ( 0.5000000 0.8063799 0.0342653), wk = 0.0030303 k( 151) = ( 0.5000000 0.8063709 0.0169215), wk = 0.0030303 k( 152) = ( 0.5000000 0.8063618 -0.0004222), wk = 0.0030303 k( 153) = ( 0.5000000 0.8063618 -0.0004222), wk = 0.0030303 k( 154) = ( 0.4827586 0.8063618 -0.0004222), wk = 0.0030303 k( 155) = ( 0.4655172 0.8063618 -0.0004222), wk = 0.0030303 k( 156) = ( 0.4482759 0.8063618 -0.0004222), wk = 0.0030303 k( 157) = ( 0.4310345 0.8063618 -0.0004222), wk = 0.0030303 k( 158) = ( 0.4137931 0.8063618 -0.0004222), wk = 0.0030303 k( 159) = ( 0.3965517 0.8063618 -0.0004222), wk = 0.0030303 k( 160) = ( 0.3793103 0.8063618 -0.0004222), wk = 0.0030303 k( 161) = ( 0.3620690 0.8063618 -0.0004222), wk = 0.0030303 k( 162) = ( 0.3448276 0.8063618 -0.0004222), wk = 0.0030303 k( 163) = ( 0.3275862 0.8063618 -0.0004222), wk = 0.0030303 k( 164) = ( 0.3103448 0.8063618 -0.0004222), wk = 0.0030303 k( 165) = ( 0.2931034 0.8063618 -0.0004222), wk = 0.0030303 k( 166) = ( 0.2758621 0.8063618 -0.0004222), wk = 0.0030303 k( 167) = ( 0.2586207 0.8063618 -0.0004222), wk = 0.0030303 k( 168) = ( 0.2413793 0.8063618 -0.0004222), wk = 0.0030303 k( 169) = ( 0.2241379 0.8063618 -0.0004222), wk = 0.0030303 k( 170) = ( 0.2068966 0.8063618 -0.0004222), wk = 0.0030303 k( 171) = ( 0.1896552 0.8063618 -0.0004222), wk = 0.0030303 k( 172) = ( 0.1724138 0.8063618 -0.0004222), wk = 0.0030303 k( 173) = ( 0.1551724 0.8063618 -0.0004222), wk = 0.0030303 k( 174) = ( 0.1379310 0.8063618 -0.0004222), wk = 0.0030303 k( 175) = ( 0.1206897 0.8063618 -0.0004222), wk = 0.0030303 k( 176) = ( 0.1034483 0.8063618 -0.0004222), wk = 0.0030303 k( 177) = ( 0.0862069 0.8063618 -0.0004222), wk = 0.0030303 k( 178) = ( 0.0689655 0.8063618 -0.0004222), wk = 0.0030303 k( 179) = ( 0.0517241 0.8063618 -0.0004222), wk = 0.0030303 k( 180) = ( 0.0344828 0.8063618 -0.0004222), wk = 0.0030303 k( 181) = ( 0.0172414 0.8063618 -0.0004222), wk = 0.0030303 k( 182) = ( 0.0000000 0.8063618 -0.0004222), wk = 0.0030303 k( 183) = ( 0.0000000 0.8063618 -0.0004222), wk = 0.0030303 k( 184) = ( 0.0000000 0.8063709 0.0169215), wk = 0.0030303 k( 185) = ( 0.0000000 0.8063799 0.0342653), wk = 0.0030303 k( 186) = ( 0.0000000 0.8063890 0.0516090), wk = 0.0030303 k( 187) = ( 0.0000000 0.8063981 0.0689528), wk = 0.0030303 k( 188) = ( 0.0000000 0.8064072 0.0862965), wk = 0.0030303 k( 189) = ( 0.0000000 0.8064163 0.1036403), wk = 0.0030303 k( 190) = ( 0.0000000 0.8064253 0.1209840), wk = 0.0030303 k( 191) = ( 0.0000000 0.8064344 0.1383277), wk = 0.0030303 k( 192) = ( 0.0000000 0.8064435 0.1556715), wk = 0.0030303 k( 193) = ( 0.0000000 0.8064526 0.1730152), wk = 0.0030303 k( 194) = ( 0.0000000 0.8064617 0.1903590), wk = 0.0030303 k( 195) = ( 0.0000000 0.8064707 0.2077027), wk = 0.0030303 k( 196) = ( 0.0000000 0.8064798 0.2250465), wk = 0.0030303 k( 197) = ( 0.0000000 0.8064889 0.2423902), wk = 0.0030303 k( 198) = ( 0.0000000 0.8064980 0.2597339), wk = 0.0030303 k( 199) = ( 0.0000000 0.8065071 0.2770777), wk = 0.0030303 k( 200) = ( 0.0000000 0.8065162 0.2944214), wk = 0.0030303 k( 201) = ( 0.0000000 0.8065252 0.3117652), wk = 0.0030303 k( 202) = ( 0.0000000 0.8065343 0.3291089), wk = 0.0030303 k( 203) = ( 0.0000000 0.8065434 0.3464527), wk = 0.0030303 k( 204) = ( 0.0000000 0.8065525 0.3637964), wk = 0.0030303 k( 205) = ( 0.0000000 0.8065616 0.3811402), wk = 0.0030303 k( 206) = ( 0.0000000 0.8065706 0.3984839), wk = 0.0030303 k( 207) = ( 0.0000000 0.8065797 0.4158276), wk = 0.0030303 k( 208) = ( 0.0000000 0.8065888 0.4331714), wk = 0.0030303 k( 209) = ( 0.0000000 0.8065979 0.4505151), wk = 0.0030303 k( 210) = ( 0.0000000 0.8066070 0.4678589), wk = 0.0030303 k( 211) = ( 0.0000000 0.8066160 0.4852026), wk = 0.0030303 k( 212) = ( 0.0000000 0.8066251 0.5025464), wk = 0.0030303 k( 213) = ( 0.0000000 0.8066342 0.5198901), wk = 0.0030303 k( 214) = ( 0.0000000 0.8066433 0.5372338), wk = 0.0030303 k( 215) = ( 0.0000000 0.8066524 0.5545776), wk = 0.0030303 k( 216) = ( 0.0000000 0.8066614 0.5719213), wk = 0.0030303 k( 217) = ( 0.0000000 0.8066705 0.5892651), wk = 0.0030303 k( 218) = ( 0.5000000 0.8060530 0.5901095), wk = 0.0030303 k( 219) = ( 0.5000000 0.7889029 0.5901095), wk = 0.0030303 k( 220) = ( 0.5000000 0.7717529 0.5901095), wk = 0.0030303 k( 221) = ( 0.5000000 0.7546028 0.5901095), wk = 0.0030303 k( 222) = ( 0.5000000 0.7374528 0.5901095), wk = 0.0030303 k( 223) = ( 0.5000000 0.7203027 0.5901095), wk = 0.0030303 k( 224) = ( 0.5000000 0.7031526 0.5901095), wk = 0.0030303 k( 225) = ( 0.5000000 0.6860026 0.5901095), wk = 0.0030303 k( 226) = ( 0.5000000 0.6688525 0.5901095), wk = 0.0030303 k( 227) = ( 0.5000000 0.6517024 0.5901095), wk = 0.0030303 k( 228) = ( 0.5000000 0.6345524 0.5901095), wk = 0.0030303 k( 229) = ( 0.5000000 0.6174023 0.5901095), wk = 0.0030303 k( 230) = ( 0.5000000 0.6002522 0.5901095), wk = 0.0030303 k( 231) = ( 0.5000000 0.5831022 0.5901095), wk = 0.0030303 k( 232) = ( 0.5000000 0.5659521 0.5901095), wk = 0.0030303 k( 233) = ( 0.5000000 0.5488020 0.5901095), wk = 0.0030303 k( 234) = ( 0.5000000 0.5316520 0.5901095), wk = 0.0030303 k( 235) = ( 0.5000000 0.5145019 0.5901095), wk = 0.0030303 k( 236) = ( 0.5000000 0.4973519 0.5901095), wk = 0.0030303 k( 237) = ( 0.5000000 0.4802018 0.5901095), wk = 0.0030303 k( 238) = ( 0.5000000 0.4630517 0.5901095), wk = 0.0030303 k( 239) = ( 0.5000000 0.4459017 0.5901095), wk = 0.0030303 k( 240) = ( 0.5000000 0.4287516 0.5901095), wk = 0.0030303 k( 241) = ( 0.5000000 0.4116015 0.5901095), wk = 0.0030303 k( 242) = ( 0.5000000 0.3944515 0.5901095), wk = 0.0030303 k( 243) = ( 0.5000000 0.3773014 0.5901095), wk = 0.0030303 k( 244) = ( 0.5000000 0.3601513 0.5901095), wk = 0.0030303 k( 245) = ( 0.5000000 0.3430013 0.5901095), wk = 0.0030303 k( 246) = ( 0.5000000 0.3258512 0.5901095), wk = 0.0030303 k( 247) = ( 0.5000000 0.3087012 0.5901095), wk = 0.0030303 k( 248) = ( 0.5000000 0.2915511 0.5901095), wk = 0.0030303 k( 249) = ( 0.5000000 0.2744010 0.5901095), wk = 0.0030303 k( 250) = ( 0.5000000 0.2572510 0.5901095), wk = 0.0030303 k( 251) = ( 0.5000000 0.2401009 0.5901095), wk = 0.0030303 k( 252) = ( 0.5000000 0.2229508 0.5901095), wk = 0.0030303 k( 253) = ( 0.5000000 0.2058008 0.5901095), wk = 0.0030303 k( 254) = ( 0.5000000 0.1886507 0.5901095), wk = 0.0030303 k( 255) = ( 0.5000000 0.1715006 0.5901095), wk = 0.0030303 k( 256) = ( 0.5000000 0.1543506 0.5901095), wk = 0.0030303 k( 257) = ( 0.5000000 0.1372005 0.5901095), wk = 0.0030303 k( 258) = ( 0.5000000 0.1200504 0.5901095), wk = 0.0030303 k( 259) = ( 0.5000000 0.1029004 0.5901095), wk = 0.0030303 k( 260) = ( 0.5000000 0.0857503 0.5901095), wk = 0.0030303 k( 261) = ( 0.5000000 0.0686003 0.5901095), wk = 0.0030303 k( 262) = ( 0.5000000 0.0514502 0.5901095), wk = 0.0030303 k( 263) = ( 0.5000000 0.0343001 0.5901095), wk = 0.0030303 k( 264) = ( 0.5000000 0.0171501 0.5901095), wk = 0.0030303 k( 265) = ( 0.5000000 -0.0000000 0.5901095), wk = 0.0030303 k( 266) = ( 0.5000000 -0.0000000 0.5901095), wk = 0.0030303 k( 267) = ( 0.5000000 -0.0000000 0.5727533), wk = 0.0030303 k( 268) = ( 0.5000000 -0.0000000 0.5553972), wk = 0.0030303 k( 269) = ( 0.5000000 -0.0000000 0.5380410), wk = 0.0030303 k( 270) = ( 0.5000000 -0.0000000 0.5206849), wk = 0.0030303 k( 271) = ( 0.5000000 -0.0000000 0.5033287), wk = 0.0030303 k( 272) = ( 0.5000000 -0.0000000 0.4859725), wk = 0.0030303 k( 273) = ( 0.5000000 -0.0000000 0.4686164), wk = 0.0030303 k( 274) = ( 0.5000000 -0.0000000 0.4512602), wk = 0.0030303 k( 275) = ( 0.5000000 -0.0000000 0.4339040), wk = 0.0030303 k( 276) = ( 0.5000000 -0.0000000 0.4165479), wk = 0.0030303 k( 277) = ( 0.5000000 -0.0000000 0.3991917), wk = 0.0030303 k( 278) = ( 0.5000000 -0.0000000 0.3818356), wk = 0.0030303 k( 279) = ( 0.5000000 -0.0000000 0.3644794), wk = 0.0030303 k( 280) = ( 0.5000000 -0.0000000 0.3471232), wk = 0.0030303 k( 281) = ( 0.5000000 -0.0000000 0.3297671), wk = 0.0030303 k( 282) = ( 0.5000000 -0.0000000 0.3124109), wk = 0.0030303 k( 283) = ( 0.5000000 -0.0000000 0.2950547), wk = 0.0030303 k( 284) = ( 0.5000000 -0.0000000 0.2776986), wk = 0.0030303 k( 285) = ( 0.5000000 -0.0000000 0.2603424), wk = 0.0030303 k( 286) = ( 0.5000000 -0.0000000 0.2429863), wk = 0.0030303 k( 287) = ( 0.5000000 -0.0000000 0.2256301), wk = 0.0030303 k( 288) = ( 0.5000000 -0.0000000 0.2082739), wk = 0.0030303 k( 289) = ( 0.5000000 -0.0000000 0.1909178), wk = 0.0030303 k( 290) = ( 0.5000000 -0.0000000 0.1735616), wk = 0.0030303 k( 291) = ( 0.5000000 -0.0000000 0.1562055), wk = 0.0030303 k( 292) = ( 0.5000000 -0.0000000 0.1388493), wk = 0.0030303 k( 293) = ( 0.5000000 -0.0000000 0.1214931), wk = 0.0030303 k( 294) = ( 0.5000000 -0.0000000 0.1041370), wk = 0.0030303 k( 295) = ( 0.5000000 -0.0000000 0.0867808), wk = 0.0030303 k( 296) = ( 0.5000000 -0.0000000 0.0694246), wk = 0.0030303 k( 297) = ( 0.5000000 -0.0000000 0.0520685), wk = 0.0030303 k( 298) = ( 0.5000000 -0.0000000 0.0347123), wk = 0.0030303 k( 299) = ( 0.5000000 -0.0000000 0.0173562), wk = 0.0030303 k( 300) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030303 k( 301) = ( 0.0000000 0.0000000 0.5901095), wk = 0.0030303 k( 302) = ( 0.0172414 -0.0000000 0.5901095), wk = 0.0030303 k( 303) = ( 0.0344828 -0.0000000 0.5901095), wk = 0.0030303 k( 304) = ( 0.0517241 -0.0000000 0.5901095), wk = 0.0030303 k( 305) = ( 0.0689655 -0.0000000 0.5901095), wk = 0.0030303 k( 306) = ( 0.0862069 -0.0000000 0.5901095), wk = 0.0030303 k( 307) = ( 0.1034483 -0.0000000 0.5901095), wk = 0.0030303 k( 308) = ( 0.1206897 -0.0000000 0.5901095), wk = 0.0030303 k( 309) = ( 0.1379310 -0.0000000 0.5901095), wk = 0.0030303 k( 310) = ( 0.1551724 -0.0000000 0.5901095), wk = 0.0030303 k( 311) = ( 0.1724138 -0.0000000 0.5901095), wk = 0.0030303 k( 312) = ( 0.1896552 -0.0000000 0.5901095), wk = 0.0030303 k( 313) = ( 0.2068966 -0.0000000 0.5901095), wk = 0.0030303 k( 314) = ( 0.2241379 -0.0000000 0.5901095), wk = 0.0030303 k( 315) = ( 0.2413793 -0.0000000 0.5901095), wk = 0.0030303 k( 316) = ( 0.2586207 -0.0000000 0.5901095), wk = 0.0030303 k( 317) = ( 0.2758621 -0.0000000 0.5901095), wk = 0.0030303 k( 318) = ( 0.2931034 -0.0000000 0.5901095), wk = 0.0030303 k( 319) = ( 0.3103448 -0.0000000 0.5901095), wk = 0.0030303 k( 320) = ( 0.3275862 -0.0000000 0.5901095), wk = 0.0030303 k( 321) = ( 0.3448276 -0.0000000 0.5901095), wk = 0.0030303 k( 322) = ( 0.3620690 -0.0000000 0.5901095), wk = 0.0030303 k( 323) = ( 0.3793103 -0.0000000 0.5901095), wk = 0.0030303 k( 324) = ( 0.3965517 -0.0000000 0.5901095), wk = 0.0030303 k( 325) = ( 0.4137931 -0.0000000 0.5901095), wk = 0.0030303 k( 326) = ( 0.4310345 -0.0000000 0.5901095), wk = 0.0030303 k( 327) = ( 0.4482759 -0.0000000 0.5901095), wk = 0.0030303 k( 328) = ( 0.4655172 -0.0000000 0.5901095), wk = 0.0030303 k( 329) = ( 0.4827586 -0.0000000 0.5901095), wk = 0.0030303 k( 330) = ( 0.5000000 -0.0000000 0.5901095), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 37) = ( 0.0000000 0.0106342 0.5000076), wk = 0.0030303 k( 38) = ( 0.0000000 0.0212685 0.5000152), wk = 0.0030303 k( 39) = ( 0.0000000 0.0319027 0.5000228), wk = 0.0030303 k( 40) = ( 0.0000000 0.0425369 0.5000304), wk = 0.0030303 k( 41) = ( 0.0000000 0.0531711 0.5000380), wk = 0.0030303 k( 42) = ( 0.0000000 0.0638053 0.5000457), wk = 0.0030303 k( 43) = ( 0.0000000 0.0744396 0.5000533), wk = 0.0030303 k( 44) = ( 0.0000000 0.0850738 0.5000609), wk = 0.0030303 k( 45) = ( 0.0000000 0.0957080 0.5000685), wk = 0.0030303 k( 46) = ( 0.0000000 0.1063422 0.5000761), wk = 0.0030303 k( 47) = ( 0.0000000 0.1169765 0.5000837), wk = 0.0030303 k( 48) = ( 0.0000000 0.1276107 0.5000913), wk = 0.0030303 k( 49) = ( 0.0000000 0.1382449 0.5000989), wk = 0.0030303 k( 50) = ( 0.0000000 0.1488791 0.5001065), wk = 0.0030303 k( 51) = ( 0.0000000 0.1595134 0.5001141), wk = 0.0030303 k( 52) = ( 0.0000000 0.1701476 0.5001217), wk = 0.0030303 k( 53) = ( 0.0000000 0.1807818 0.5001294), wk = 0.0030303 k( 54) = ( 0.0000000 0.1914160 0.5001370), wk = 0.0030303 k( 55) = ( 0.0000000 0.2020503 0.5001446), wk = 0.0030303 k( 56) = ( 0.0000000 0.2126845 0.5001522), wk = 0.0030303 k( 57) = ( 0.0000000 0.2233187 0.5001598), wk = 0.0030303 k( 58) = ( 0.0000000 0.2339529 0.5001674), wk = 0.0030303 k( 59) = ( 0.0000000 0.2445872 0.5001750), wk = 0.0030303 k( 60) = ( 0.0000000 0.2552214 0.5001826), wk = 0.0030303 k( 61) = ( 0.0000000 0.2658556 0.5001902), wk = 0.0030303 k( 62) = ( 0.0000000 0.2764898 0.5001978), wk = 0.0030303 k( 63) = ( 0.0000000 0.2871241 0.5002054), wk = 0.0030303 k( 64) = ( 0.0000000 0.2977583 0.5002130), wk = 0.0030303 k( 65) = ( 0.0000000 0.3083925 0.5002206), wk = 0.0030303 k( 66) = ( 0.0000000 0.3190267 0.5002283), wk = 0.0030303 k( 67) = ( 0.0000000 0.3296610 0.5002359), wk = 0.0030303 k( 68) = ( 0.0000000 0.3402952 0.5002435), wk = 0.0030303 k( 69) = ( 0.0000000 0.3509294 0.5002511), wk = 0.0030303 k( 70) = ( 0.0000000 0.3615636 0.5002587), wk = 0.0030303 k( 71) = ( 0.0000000 0.3721978 0.5002663), wk = 0.0030303 k( 72) = ( 0.0000000 0.3828321 0.5002739), wk = 0.0030303 k( 73) = ( 0.0000000 0.3934663 0.5002815), wk = 0.0030303 k( 74) = ( 0.0000000 0.4041005 0.5002891), wk = 0.0030303 k( 75) = ( 0.0000000 0.4147347 0.5002967), wk = 0.0030303 k( 76) = ( 0.0000000 0.4253690 0.5003043), wk = 0.0030303 k( 77) = ( 0.0000000 0.4360032 0.5003119), wk = 0.0030303 k( 78) = ( 0.0000000 0.4466374 0.5003196), wk = 0.0030303 k( 79) = ( 0.0000000 0.4572716 0.5003272), wk = 0.0030303 k( 80) = ( 0.0000000 0.4679059 0.5003348), wk = 0.0030303 k( 81) = ( 0.0000000 0.4785401 0.5003424), wk = 0.0030303 k( 82) = ( 0.0000000 0.4891743 0.5003500), wk = 0.0030303 k( 83) = ( 0.0000000 0.4998086 0.5003576), wk = 0.0030303 k( 84) = ( 0.0000000 0.4998086 0.5003576), wk = 0.0030303 k( 85) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030303 k( 86) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030303 k( 87) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0030303 k( 88) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0030303 k( 89) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0030303 k( 90) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0030303 k( 91) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0030303 k( 92) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0030303 k( 93) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0030303 k( 94) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0030303 k( 95) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0030303 k( 96) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0030303 k( 97) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0030303 k( 98) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0030303 k( 99) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0030303 k( 100) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0030303 k( 101) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0030303 k( 102) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0030303 k( 103) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0030303 k( 104) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0030303 k( 105) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0030303 k( 106) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0030303 k( 107) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0030303 k( 108) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0030303 k( 109) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0030303 k( 110) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0030303 k( 111) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0030303 k( 112) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0030303 k( 113) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0030303 k( 114) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0030303 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030303 k( 116) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030303 k( 117) = ( 0.5000000 0.5001914 0.4996424), wk = 0.0030303 k( 118) = ( 0.5000000 0.5001914 0.4996424), wk = 0.0030303 k( 119) = ( 0.5000000 0.5001858 0.4849470), wk = 0.0030303 k( 120) = ( 0.5000000 0.5001802 0.4702517), wk = 0.0030303 k( 121) = ( 0.5000000 0.5001746 0.4555563), wk = 0.0030303 k( 122) = ( 0.5000000 0.5001689 0.4408609), wk = 0.0030303 k( 123) = ( 0.5000000 0.5001633 0.4261656), wk = 0.0030303 k( 124) = ( 0.5000000 0.5001577 0.4114702), wk = 0.0030303 k( 125) = ( 0.5000000 0.5001520 0.3967749), wk = 0.0030303 k( 126) = ( 0.5000000 0.5001464 0.3820795), wk = 0.0030303 k( 127) = ( 0.5000000 0.5001408 0.3673841), wk = 0.0030303 k( 128) = ( 0.5000000 0.5001351 0.3526887), wk = 0.0030303 k( 129) = ( 0.5000000 0.5001295 0.3379934), wk = 0.0030303 k( 130) = ( 0.5000000 0.5001239 0.3232980), wk = 0.0030303 k( 131) = ( 0.5000000 0.5001182 0.3086027), wk = 0.0030303 k( 132) = ( 0.5000000 0.5001126 0.2939073), wk = 0.0030303 k( 133) = ( 0.5000000 0.5001070 0.2792119), wk = 0.0030303 k( 134) = ( 0.5000000 0.5001014 0.2645166), wk = 0.0030303 k( 135) = ( 0.5000000 0.5000957 0.2498212), wk = 0.0030303 k( 136) = ( 0.5000000 0.5000901 0.2351258), wk = 0.0030303 k( 137) = ( 0.5000000 0.5000845 0.2204305), wk = 0.0030303 k( 138) = ( 0.5000000 0.5000788 0.2057351), wk = 0.0030303 k( 139) = ( 0.5000000 0.5000732 0.1910397), wk = 0.0030303 k( 140) = ( 0.5000000 0.5000676 0.1763444), wk = 0.0030303 k( 141) = ( 0.5000000 0.5000619 0.1616490), wk = 0.0030303 k( 142) = ( 0.5000000 0.5000563 0.1469536), wk = 0.0030303 k( 143) = ( 0.5000000 0.5000507 0.1322583), wk = 0.0030303 k( 144) = ( 0.5000000 0.5000450 0.1175629), wk = 0.0030303 k( 145) = ( 0.5000000 0.5000394 0.1028675), wk = 0.0030303 k( 146) = ( 0.5000000 0.5000338 0.0881722), wk = 0.0030303 k( 147) = ( 0.5000000 0.5000282 0.0734768), wk = 0.0030303 k( 148) = ( 0.5000000 0.5000225 0.0587815), wk = 0.0030303 k( 149) = ( 0.5000000 0.5000169 0.0440861), wk = 0.0030303 k( 150) = ( 0.5000000 0.5000113 0.0293907), wk = 0.0030303 k( 151) = ( 0.5000000 0.5000056 0.0146954), wk = 0.0030303 k( 152) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030303 k( 153) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030303 k( 154) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0030303 k( 155) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0030303 k( 156) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0030303 k( 157) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0030303 k( 158) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0030303 k( 159) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0030303 k( 160) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0030303 k( 161) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0030303 k( 162) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0030303 k( 163) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0030303 k( 164) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0030303 k( 165) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0030303 k( 166) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0030303 k( 167) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0030303 k( 168) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0030303 k( 169) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0030303 k( 170) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0030303 k( 171) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0030303 k( 172) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0030303 k( 173) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0030303 k( 174) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0030303 k( 175) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0030303 k( 176) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0030303 k( 177) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0030303 k( 178) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0030303 k( 179) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0030303 k( 180) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0030303 k( 181) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0030303 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 183) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 184) = ( 0.0000000 0.5000056 0.0146954), wk = 0.0030303 k( 185) = ( 0.0000000 0.5000113 0.0293907), wk = 0.0030303 k( 186) = ( 0.0000000 0.5000169 0.0440861), wk = 0.0030303 k( 187) = ( 0.0000000 0.5000225 0.0587815), wk = 0.0030303 k( 188) = ( 0.0000000 0.5000282 0.0734768), wk = 0.0030303 k( 189) = ( 0.0000000 0.5000338 0.0881722), wk = 0.0030303 k( 190) = ( 0.0000000 0.5000394 0.1028675), wk = 0.0030303 k( 191) = ( 0.0000000 0.5000450 0.1175629), wk = 0.0030303 k( 192) = ( 0.0000000 0.5000507 0.1322583), wk = 0.0030303 k( 193) = ( 0.0000000 0.5000563 0.1469537), wk = 0.0030303 k( 194) = ( 0.0000000 0.5000619 0.1616490), wk = 0.0030303 k( 195) = ( 0.0000000 0.5000676 0.1763444), wk = 0.0030303 k( 196) = ( 0.0000000 0.5000732 0.1910397), wk = 0.0030303 k( 197) = ( 0.0000000 0.5000788 0.2057351), wk = 0.0030303 k( 198) = ( 0.0000000 0.5000845 0.2204305), wk = 0.0030303 k( 199) = ( 0.0000000 0.5000901 0.2351258), wk = 0.0030303 k( 200) = ( 0.0000000 0.5000957 0.2498212), wk = 0.0030303 k( 201) = ( 0.0000000 0.5001014 0.2645166), wk = 0.0030303 k( 202) = ( 0.0000000 0.5001070 0.2792119), wk = 0.0030303 k( 203) = ( 0.0000000 0.5001126 0.2939073), wk = 0.0030303 k( 204) = ( 0.0000000 0.5001182 0.3086027), wk = 0.0030303 k( 205) = ( 0.0000000 0.5001239 0.3232980), wk = 0.0030303 k( 206) = ( 0.0000000 0.5001295 0.3379934), wk = 0.0030303 k( 207) = ( 0.0000000 0.5001351 0.3526887), wk = 0.0030303 k( 208) = ( 0.0000000 0.5001408 0.3673841), wk = 0.0030303 k( 209) = ( 0.0000000 0.5001464 0.3820795), wk = 0.0030303 k( 210) = ( 0.0000000 0.5001520 0.3967749), wk = 0.0030303 k( 211) = ( 0.0000000 0.5001577 0.4114702), wk = 0.0030303 k( 212) = ( 0.0000000 0.5001633 0.4261656), wk = 0.0030303 k( 213) = ( 0.0000000 0.5001689 0.4408609), wk = 0.0030303 k( 214) = ( 0.0000000 0.5001746 0.4555563), wk = 0.0030303 k( 215) = ( 0.0000000 0.5001802 0.4702517), wk = 0.0030303 k( 216) = ( 0.0000000 0.5001858 0.4849470), wk = 0.0030303 k( 217) = ( 0.0000000 0.5001914 0.4996424), wk = 0.0030303 k( 218) = ( 0.5000000 0.4998086 0.5003576), wk = 0.0030303 k( 219) = ( 0.5000000 0.4891743 0.5003500), wk = 0.0030303 k( 220) = ( 0.5000000 0.4785401 0.5003424), wk = 0.0030303 k( 221) = ( 0.5000000 0.4679059 0.5003348), wk = 0.0030303 k( 222) = ( 0.5000000 0.4572717 0.5003272), wk = 0.0030303 k( 223) = ( 0.5000000 0.4466374 0.5003196), wk = 0.0030303 k( 224) = ( 0.5000000 0.4360032 0.5003119), wk = 0.0030303 k( 225) = ( 0.5000000 0.4253690 0.5003043), wk = 0.0030303 k( 226) = ( 0.5000000 0.4147347 0.5002967), wk = 0.0030303 k( 227) = ( 0.5000000 0.4041005 0.5002891), wk = 0.0030303 k( 228) = ( 0.5000000 0.3934663 0.5002815), wk = 0.0030303 k( 229) = ( 0.5000000 0.3828321 0.5002739), wk = 0.0030303 k( 230) = ( 0.5000000 0.3721979 0.5002663), wk = 0.0030303 k( 231) = ( 0.5000000 0.3615636 0.5002587), wk = 0.0030303 k( 232) = ( 0.5000000 0.3509294 0.5002511), wk = 0.0030303 k( 233) = ( 0.5000000 0.3402952 0.5002435), wk = 0.0030303 k( 234) = ( 0.5000000 0.3296610 0.5002359), wk = 0.0030303 k( 235) = ( 0.5000000 0.3190267 0.5002283), wk = 0.0030303 k( 236) = ( 0.5000000 0.3083925 0.5002206), wk = 0.0030303 k( 237) = ( 0.5000000 0.2977583 0.5002130), wk = 0.0030303 k( 238) = ( 0.5000000 0.2871241 0.5002054), wk = 0.0030303 k( 239) = ( 0.5000000 0.2764898 0.5001978), wk = 0.0030303 k( 240) = ( 0.5000000 0.2658556 0.5001902), wk = 0.0030303 k( 241) = ( 0.5000000 0.2552214 0.5001826), wk = 0.0030303 k( 242) = ( 0.5000000 0.2445872 0.5001750), wk = 0.0030303 k( 243) = ( 0.5000000 0.2339529 0.5001674), wk = 0.0030303 k( 244) = ( 0.5000000 0.2233187 0.5001598), wk = 0.0030303 k( 245) = ( 0.5000000 0.2126845 0.5001522), wk = 0.0030303 k( 246) = ( 0.5000000 0.2020503 0.5001446), wk = 0.0030303 k( 247) = ( 0.5000000 0.1914160 0.5001370), wk = 0.0030303 k( 248) = ( 0.5000000 0.1807818 0.5001294), wk = 0.0030303 k( 249) = ( 0.5000000 0.1701476 0.5001217), wk = 0.0030303 k( 250) = ( 0.5000000 0.1595134 0.5001141), wk = 0.0030303 k( 251) = ( 0.5000000 0.1488791 0.5001065), wk = 0.0030303 k( 252) = ( 0.5000000 0.1382449 0.5000989), wk = 0.0030303 k( 253) = ( 0.5000000 0.1276107 0.5000913), wk = 0.0030303 k( 254) = ( 0.5000000 0.1169765 0.5000837), wk = 0.0030303 k( 255) = ( 0.5000000 0.1063422 0.5000761), wk = 0.0030303 k( 256) = ( 0.5000000 0.0957080 0.5000685), wk = 0.0030303 k( 257) = ( 0.5000000 0.0850738 0.5000609), wk = 0.0030303 k( 258) = ( 0.5000000 0.0744396 0.5000533), wk = 0.0030303 k( 259) = ( 0.5000000 0.0638053 0.5000457), wk = 0.0030303 k( 260) = ( 0.5000000 0.0531711 0.5000380), wk = 0.0030303 k( 261) = ( 0.5000000 0.0425369 0.5000304), wk = 0.0030303 k( 262) = ( 0.5000000 0.0319027 0.5000228), wk = 0.0030303 k( 263) = ( 0.5000000 0.0212685 0.5000152), wk = 0.0030303 k( 264) = ( 0.5000000 0.0106342 0.5000076), wk = 0.0030303 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 267) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0030303 k( 268) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0030303 k( 269) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0030303 k( 270) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0030303 k( 271) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0030303 k( 272) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0030303 k( 273) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0030303 k( 274) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0030303 k( 275) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0030303 k( 276) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0030303 k( 277) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0030303 k( 278) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0030303 k( 279) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0030303 k( 280) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0030303 k( 281) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0030303 k( 282) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0030303 k( 283) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030303 k( 284) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0030303 k( 285) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0030303 k( 286) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0030303 k( 287) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0030303 k( 288) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0030303 k( 289) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0030303 k( 290) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0030303 k( 291) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0030303 k( 292) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0030303 k( 293) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0030303 k( 294) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0030303 k( 295) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0030303 k( 296) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0030303 k( 297) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0030303 k( 298) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0030303 k( 299) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0030303 k( 300) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030303 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 302) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0030303 k( 303) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0030303 k( 304) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0030303 k( 305) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0030303 k( 306) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0030303 k( 307) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0030303 k( 308) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0030303 k( 309) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0030303 k( 310) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0030303 k( 311) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0030303 k( 312) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0030303 k( 313) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0030303 k( 314) = ( 0.2241379 0.0000000 0.5000000), wk = 0.0030303 k( 315) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0030303 k( 316) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0030303 k( 317) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0030303 k( 318) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0030303 k( 319) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0030303 k( 320) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0030303 k( 321) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0030303 k( 322) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0030303 k( 323) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0030303 k( 324) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0030303 k( 325) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0030303 k( 326) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0030303 k( 327) = ( 0.4482759 0.0000000 0.5000000), wk = 0.0030303 k( 328) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0030303 k( 329) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0030303 k( 330) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 Dense grid: 36551 G-vectors FFT dimensions: ( 54, 32, 45) Smooth grid: 24885 G-vectors FFT dimensions: ( 45, 27, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 136, 48) NL pseudopotentials 0.17 Mb ( 68, 164) Each V/rho on FFT grid 0.03 Mb ( 1728) Each G-vector array 0.01 Mb ( 765) G-vector shells 0.01 Mb ( 744) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 136, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.24 Mb ( 164, 2, 48) The potential is recalculated from file : ./CoAsS.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.8 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 46.7 secs Computing kpt #: 4 total cpu time spent up to now is 48.1 secs Computing kpt #: 5 total cpu time spent up to now is 49.7 secs Computing kpt #: 6 total cpu time spent up to now is 51.2 secs Computing kpt #: 7 total cpu time spent up to now is 52.6 secs Computing kpt #: 8 total cpu time spent up to now is 54.1 secs Computing kpt #: 9 total cpu time spent up to now is 55.6 secs Computing kpt #: 10 total cpu time spent up to now is 57.3 secs Computing kpt #: 11 total cpu time spent up to now is 59.0 secs Computing kpt #: 12 total cpu time spent up to now is 60.6 secs Computing kpt #: 13 total cpu time spent up to now is 62.3 secs Computing kpt #: 14 total cpu time spent up to now is 64.1 secs Computing kpt #: 15 total cpu time spent up to now is 65.8 secs Computing kpt #: 16 total cpu time spent up to now is 67.6 secs Computing kpt #: 17 total cpu time spent up to now is 69.3 secs Computing kpt #: 18 total cpu time spent up to now is 71.0 secs Computing kpt #: 19 total cpu time spent up to now is 72.8 secs Computing kpt #: 20 total cpu time spent up to now is 74.5 secs Computing kpt #: 21 total cpu time spent up to now is 76.4 secs Computing kpt #: 22 total cpu time spent up to now is 78.2 secs Computing kpt #: 23 total cpu time spent up to now is 80.0 secs Computing kpt #: 24 total cpu time spent up to now is 81.7 secs Computing kpt #: 25 total cpu time spent up to now is 83.5 secs Computing kpt #: 26 total cpu time spent up to now is 85.4 secs Computing kpt #: 27 total cpu time spent up to now is 87.0 secs Computing kpt #: 28 total cpu time spent up to now is 88.8 secs Computing kpt #: 29 total cpu time spent up to now is 90.6 secs Computing kpt #: 30 total cpu time spent up to now is 92.2 secs Computing kpt #: 31 total cpu time spent up to now is 93.9 secs Computing kpt #: 32 total cpu time spent up to now is 95.7 secs Computing kpt #: 33 total cpu time spent up to now is 97.3 secs Computing kpt #: 34 total cpu time spent up to now is 98.9 secs Computing kpt #: 35 total cpu time spent up to now is 100.6 secs Computing kpt #: 36 total cpu time spent up to now is 102.2 secs Computing kpt #: 37 total cpu time spent up to now is 104.0 secs Computing kpt #: 38 total cpu time spent up to now is 105.7 secs Computing kpt #: 39 total cpu time spent up to now is 107.4 secs Computing kpt #: 40 total cpu time spent up to now is 109.4 secs Computing kpt #: 41 total cpu time spent up to now is 111.2 secs Computing kpt #: 42 total cpu time spent up to now is 113.0 secs Computing kpt #: 43 total cpu time spent up to now is 114.6 secs Computing kpt #: 44 total cpu time spent up to now is 116.1 secs Computing kpt #: 45 total cpu time spent up to now is 117.5 secs Computing kpt #: 46 total cpu time spent up to now is 119.0 secs Computing kpt #: 47 total cpu time spent up to now is 120.6 secs Computing kpt #: 48 total cpu time spent up to now is 122.1 secs Computing kpt #: 49 total cpu time spent up to now is 123.6 secs Computing kpt #: 50 total cpu time spent up to now is 125.2 secs Computing kpt #: 51 total cpu time spent up to now is 126.7 secs Computing kpt #: 52 total cpu time spent up to now is 128.4 secs Computing kpt #: 53 total cpu time spent up to now is 130.4 secs Computing kpt #: 54 total cpu time spent up to now is 132.3 secs Computing kpt #: 55 total cpu time spent up to now is 134.2 secs Computing kpt #: 56 total cpu time spent up to now is 136.1 secs Computing kpt #: 57 total cpu time spent up to now is 137.9 secs Computing kpt #: 58 total cpu time spent up to now is 139.8 secs Computing kpt #: 59 total cpu time spent up to now is 141.5 secs Computing kpt #: 60 total cpu time spent up to now is 143.2 secs Computing kpt #: 61 total cpu time spent up to now is 144.7 secs Computing kpt #: 62 total cpu time spent up to now is 146.5 secs Computing kpt #: 63 total cpu time spent up to now is 148.0 secs Computing kpt #: 64 total cpu time spent up to now is 149.5 secs Computing kpt #: 65 total cpu time spent up to now is 151.1 secs Computing kpt #: 66 total cpu time spent up to now is 152.6 secs Computing kpt #: 67 total cpu time spent up to now is 154.0 secs Computing kpt #: 68 total cpu time spent up to now is 155.8 secs Computing kpt #: 69 total cpu time spent up to now is 157.2 secs Computing kpt #: 70 total cpu time spent up to now is 158.7 secs Computing kpt #: 71 total cpu time spent up to now is 160.2 secs Computing kpt #: 72 total cpu time spent up to now is 161.6 secs Computing kpt #: 73 total cpu time spent up to now is 163.1 secs Computing kpt #: 74 total cpu time spent up to now is 164.7 secs Computing kpt #: 75 total cpu time spent up to now is 166.2 secs Computing kpt #: 76 total cpu time spent up to now is 167.7 secs Computing kpt #: 77 total cpu time spent up to now is 169.3 secs Computing kpt #: 78 total cpu time spent up to now is 170.8 secs Computing kpt #: 79 total cpu time spent up to now is 172.4 secs Computing kpt #: 80 total cpu time spent up to now is 174.1 secs Computing kpt #: 81 total cpu time spent up to now is 175.9 secs Computing kpt #: 82 total cpu time spent up to now is 177.6 secs Computing kpt #: 83 total cpu time spent up to now is 179.1 secs Computing kpt #: 84 total cpu time spent up to now is 180.5 secs Computing kpt #: 85 total cpu time spent up to now is 182.0 secs Computing kpt #: 86 total cpu time spent up to now is 183.3 secs Computing kpt #: 87 total cpu time spent up to now is 184.9 secs Computing kpt #: 88 total cpu time spent up to now is 186.6 secs Computing kpt #: 89 total cpu time spent up to now is 188.1 secs Computing kpt #: 90 total cpu time spent up to now is 189.8 secs Computing kpt #: 91 total cpu time spent up to now is 191.6 secs Computing kpt #: 92 total cpu time spent up to now is 193.4 secs Computing kpt #: 93 total cpu time spent up to now is 194.9 secs Computing kpt #: 94 total cpu time spent up to now is 196.6 secs Computing kpt #: 95 total cpu time spent up to now is 198.4 secs Computing kpt #: 96 total cpu time spent up to now is 200.9 secs Computing kpt #: 97 total cpu time spent up to now is 202.5 secs Computing kpt #: 98 total cpu time spent up to now is 204.1 secs Computing kpt #: 99 total cpu time spent up to now is 205.7 secs Computing kpt #: 100 total cpu time spent up to now is 207.4 secs Computing kpt #: 101 total cpu time spent up to now is 209.0 secs Computing kpt #: 102 total cpu time spent up to now is 210.6 secs Computing kpt #: 103 total cpu time spent up to now is 212.3 secs Computing kpt #: 104 total cpu time spent up to now is 214.0 secs Computing kpt #: 105 total cpu time spent up to now is 217.0 secs Computing kpt #: 106 total cpu time spent up to now is 219.6 secs Computing kpt #: 107 total cpu time spent up to now is 221.7 secs Computing kpt #: 108 total cpu time spent up to now is 223.5 secs Computing kpt #: 109 total cpu time spent up to now is 225.5 secs Computing kpt #: 110 total cpu time spent up to now is 227.3 secs Computing kpt #: 111 total cpu time spent up to now is 229.3 secs Computing kpt #: 112 total cpu time spent up to now is 231.1 secs Computing kpt #: 113 total cpu time spent up to now is 232.8 secs Computing kpt #: 114 total cpu time spent up to now is 234.7 secs Computing kpt #: 115 total cpu time spent up to now is 236.5 secs Computing kpt #: 116 total cpu time spent up to now is 238.2 secs Computing kpt #: 117 total cpu time spent up to now is 239.9 secs Computing kpt #: 118 total cpu time spent up to now is 241.8 secs Computing kpt #: 119 total cpu time spent up to now is 243.6 secs Computing kpt #: 120 total cpu time spent up to now is 245.4 secs Computing kpt #: 121 total cpu time spent up to now is 247.5 secs Computing kpt #: 122 total cpu time spent up to now is 249.1 secs Computing kpt #: 123 total cpu time spent up to now is 250.8 secs Computing kpt #: 124 total cpu time spent up to now is 252.4 secs Computing kpt #: 125 total cpu time spent up to now is 254.0 secs Computing kpt #: 126 total cpu time spent up to now is 255.6 secs Computing kpt #: 127 total cpu time spent up to now is 257.1 secs Computing kpt #: 128 total cpu time spent up to now is 258.9 secs Computing kpt #: 129 total cpu time spent up to now is 260.6 secs Computing kpt #: 130 total cpu time spent up to now is 262.1 secs Computing kpt #: 131 total cpu time spent up to now is 263.7 secs Computing kpt #: 132 total cpu time spent up to now is 265.1 secs Computing kpt #: 133 total cpu time spent up to now is 266.5 secs Computing kpt #: 134 total cpu time spent up to now is 268.0 secs Computing kpt #: 135 total cpu time spent up to now is 269.5 secs Computing kpt #: 136 total cpu time spent up to now is 270.8 secs Computing kpt #: 137 total cpu time spent up to now is 272.2 secs Computing kpt #: 138 total cpu time spent up to now is 273.6 secs Computing kpt #: 139 total cpu time spent up to now is 275.0 secs Computing kpt #: 140 total cpu time spent up to now is 276.4 secs Computing kpt #: 141 total cpu time spent up to now is 277.8 secs Computing kpt #: 142 total cpu time spent up to now is 279.3 secs Computing kpt #: 143 total cpu time spent up to now is 281.1 secs Computing kpt #: 144 total cpu time spent up to now is 282.6 secs Computing kpt #: 145 total cpu time spent up to now is 283.9 secs Computing kpt #: 146 total cpu time spent up to now is 285.2 secs Computing kpt #: 147 total cpu time spent up to now is 286.7 secs Computing kpt #: 148 total cpu time spent up to now is 288.8 secs Computing kpt #: 149 total cpu time spent up to now is 290.4 secs Computing kpt #: 150 total cpu time spent up to now is 291.7 secs Computing kpt #: 151 total cpu time spent up to now is 293.0 secs Computing kpt #: 152 total cpu time spent up to now is 294.2 secs Computing kpt #: 153 total cpu time spent up to now is 295.5 secs Computing kpt #: 154 total cpu time spent up to now is 297.0 secs Computing kpt #: 155 total cpu time spent up to now is 298.7 secs Computing kpt #: 156 total cpu time spent up to now is 300.1 secs Computing kpt #: 157 total cpu time spent up to now is 301.9 secs Computing kpt #: 158 total cpu time spent up to now is 303.4 secs Computing kpt #: 159 total cpu time spent up to now is 304.8 secs Computing kpt #: 160 total cpu time spent up to now is 306.1 secs Computing kpt #: 161 total cpu time spent up to now is 307.6 secs Computing kpt #: 162 total cpu time spent up to now is 308.9 secs Computing kpt #: 163 total cpu time spent up to now is 310.4 secs Computing kpt #: 164 total cpu time spent up to now is 311.9 secs Computing kpt #: 165 total cpu time spent up to now is 313.4 secs Computing kpt #: 166 total cpu time spent up to now is 314.8 secs Computing kpt #: 167 total cpu time spent up to now is 316.2 secs Computing kpt #: 168 total cpu time spent up to now is 317.6 secs Computing kpt #: 169 total cpu time spent up to now is 319.2 secs Computing kpt #: 170 total cpu time spent up to now is 320.7 secs Computing kpt #: 171 total cpu time spent up to now is 322.2 secs Computing kpt #: 172 total cpu time spent up to now is 323.7 secs Computing kpt #: 173 total cpu time spent up to now is 325.1 secs Computing kpt #: 174 total cpu time spent up to now is 326.6 secs Computing kpt #: 175 total cpu time spent up to now is 328.1 secs Computing kpt #: 176 total cpu time spent up to now is 329.7 secs Computing kpt #: 177 total cpu time spent up to now is 331.2 secs Computing kpt #: 178 total cpu time spent up to now is 332.8 secs Computing kpt #: 179 total cpu time spent up to now is 334.2 secs Computing kpt #: 180 total cpu time spent up to now is 335.7 secs Computing kpt #: 181 total cpu time spent up to now is 337.2 secs Computing kpt #: 182 total cpu time spent up to now is 338.7 secs Computing kpt #: 183 total cpu time spent up to now is 340.1 secs Computing kpt #: 184 total cpu time spent up to now is 341.5 secs Computing kpt #: 185 total cpu time spent up to now is 342.9 secs Computing kpt #: 186 total cpu time spent up to now is 344.3 secs Computing kpt #: 187 total cpu time spent up to now is 345.7 secs Computing kpt #: 188 total cpu time spent up to now is 347.1 secs Computing kpt #: 189 total cpu time spent up to now is 348.5 secs Computing kpt #: 190 total cpu time spent up to now is 350.0 secs Computing kpt #: 191 total cpu time spent up to now is 351.3 secs Computing kpt #: 192 total cpu time spent up to now is 352.7 secs Computing kpt #: 193 total cpu time spent up to now is 354.2 secs Computing kpt #: 194 total cpu time spent up to now is 355.5 secs Computing kpt #: 195 total cpu time spent up to now is 356.6 secs Computing kpt #: 196 total cpu time spent up to now is 357.9 secs Computing kpt #: 197 total cpu time spent up to now is 359.4 secs Computing kpt #: 198 total cpu time spent up to now is 360.5 secs Computing kpt #: 199 total cpu time spent up to now is 361.8 secs Computing kpt #: 200 total cpu time spent up to now is 362.9 secs Computing kpt #: 201 total cpu time spent up to now is 364.2 secs Computing kpt #: 202 total cpu time spent up to now is 365.3 secs Computing kpt #: 203 total cpu time spent up to now is 366.5 secs Computing kpt #: 204 total cpu time spent up to now is 367.8 secs Computing kpt #: 205 total cpu time spent up to now is 368.9 secs Computing kpt #: 206 total cpu time spent up to now is 370.1 secs Computing kpt #: 207 total cpu time spent up to now is 371.3 secs Computing kpt #: 208 total cpu time spent up to now is 372.4 secs Computing kpt #: 209 total cpu time spent up to now is 373.8 secs Computing kpt #: 210 total cpu time spent up to now is 375.1 secs Computing kpt #: 211 total cpu time spent up to now is 376.4 secs Computing kpt #: 212 total cpu time spent up to now is 377.7 secs Computing kpt #: 213 total cpu time spent up to now is 379.2 secs Computing kpt #: 214 total cpu time spent up to now is 380.7 secs Computing kpt #: 215 total cpu time spent up to now is 382.3 secs Computing kpt #: 216 total cpu time spent up to now is 383.8 secs Computing kpt #: 217 total cpu time spent up to now is 385.1 secs Computing kpt #: 218 total cpu time spent up to now is 386.9 secs Computing kpt #: 219 total cpu time spent up to now is 388.7 secs Computing kpt #: 220 total cpu time spent up to now is 390.5 secs Computing kpt #: 221 total cpu time spent up to now is 392.3 secs Computing kpt #: 222 total cpu time spent up to now is 394.5 secs Computing kpt #: 223 total cpu time spent up to now is 396.2 secs Computing kpt #: 224 total cpu time spent up to now is 398.0 secs Computing kpt #: 225 total cpu time spent up to now is 399.7 secs Computing kpt #: 226 total cpu time spent up to now is 401.3 secs Computing kpt #: 227 total cpu time spent up to now is 403.0 secs Computing kpt #: 228 total cpu time spent up to now is 404.6 secs Computing kpt #: 229 total cpu time spent up to now is 406.2 secs Computing kpt #: 230 total cpu time spent up to now is 407.7 secs Computing kpt #: 231 total cpu time spent up to now is 409.3 secs Computing kpt #: 232 total cpu time spent up to now is 411.3 secs Computing kpt #: 233 total cpu time spent up to now is 412.9 secs Computing kpt #: 234 total cpu time spent up to now is 414.4 secs Computing kpt #: 235 total cpu time spent up to now is 416.0 secs Computing kpt #: 236 total cpu time spent up to now is 417.5 secs Computing kpt #: 237 total cpu time spent up to now is 418.9 secs Computing kpt #: 238 total cpu time spent up to now is 420.5 secs Computing kpt #: 239 total cpu time spent up to now is 422.0 secs Computing kpt #: 240 total cpu time spent up to now is 423.3 secs Computing kpt #: 241 total cpu time spent up to now is 424.7 secs Computing kpt #: 242 total cpu time spent up to now is 426.1 secs Computing kpt #: 243 total cpu time spent up to now is 427.4 secs Computing kpt #: 244 total cpu time spent up to now is 428.8 secs Computing kpt #: 245 total cpu time spent up to now is 430.0 secs Computing kpt #: 246 total cpu time spent up to now is 431.3 secs Computing kpt #: 247 total cpu time spent up to now is 432.5 secs Computing kpt #: 248 total cpu time spent up to now is 433.8 secs Computing kpt #: 249 total cpu time spent up to now is 435.1 secs Computing kpt #: 250 total cpu time spent up to now is 436.6 secs Computing kpt #: 251 total cpu time spent up to now is 437.8 secs Computing kpt #: 252 total cpu time spent up to now is 439.1 secs Computing kpt #: 253 total cpu time spent up to now is 440.3 secs Computing kpt #: 254 total cpu time spent up to now is 441.5 secs Computing kpt #: 255 total cpu time spent up to now is 442.7 secs Computing kpt #: 256 total cpu time spent up to now is 443.8 secs Computing kpt #: 257 total cpu time spent up to now is 444.9 secs Computing kpt #: 258 total cpu time spent up to now is 446.3 secs Computing kpt #: 259 total cpu time spent up to now is 447.5 secs Computing kpt #: 260 total cpu time spent up to now is 448.8 secs Computing kpt #: 261 total cpu time spent up to now is 450.1 secs Computing kpt #: 262 total cpu time spent up to now is 451.2 secs Computing kpt #: 263 total cpu time spent up to now is 452.2 secs Computing kpt #: 264 total cpu time spent up to now is 453.3 secs Computing kpt #: 265 total cpu time spent up to now is 454.5 secs Computing kpt #: 266 total cpu time spent up to now is 455.9 secs Computing kpt #: 267 total cpu time spent up to now is 457.0 secs Computing kpt #: 268 total cpu time spent up to now is 458.1 secs Computing kpt #: 269 total cpu time spent up to now is 459.3 secs Computing kpt #: 270 total cpu time spent up to now is 460.5 secs Computing kpt #: 271 total cpu time spent up to now is 461.8 secs Computing kpt #: 272 total cpu time spent up to now is 463.2 secs Computing kpt #: 273 total cpu time spent up to now is 464.4 secs Computing kpt #: 274 total cpu time spent up to now is 465.6 secs Computing kpt #: 275 total cpu time spent up to now is 466.9 secs Computing kpt #: 276 total cpu time spent up to now is 468.3 secs Computing kpt #: 277 total cpu time spent up to now is 469.8 secs Computing kpt #: 278 total cpu time spent up to now is 471.3 secs Computing kpt #: 279 total cpu time spent up to now is 472.7 secs Computing kpt #: 280 total cpu time spent up to now is 474.1 secs Computing kpt #: 281 total cpu time spent up to now is 475.7 secs Computing kpt #: 282 total cpu time spent up to now is 477.4 secs Computing kpt #: 283 total cpu time spent up to now is 478.9 secs Computing kpt #: 284 total cpu time spent up to now is 480.5 secs Computing kpt #: 285 total cpu time spent up to now is 482.1 secs Computing kpt #: 286 total cpu time spent up to now is 483.8 secs Computing kpt #: 287 total cpu time spent up to now is 485.4 secs Computing kpt #: 288 total cpu time spent up to now is 487.2 secs Computing kpt #: 289 total cpu time spent up to now is 488.9 secs Computing kpt #: 290 total cpu time spent up to now is 490.8 secs Computing kpt #: 291 total cpu time spent up to now is 492.6 secs Computing kpt #: 292 total cpu time spent up to now is 494.4 secs Computing kpt #: 293 total cpu time spent up to now is 496.3 secs Computing kpt #: 294 total cpu time spent up to now is 498.0 secs Computing kpt #: 295 total cpu time spent up to now is 500.1 secs Computing kpt #: 296 total cpu time spent up to now is 501.8 secs Computing kpt #: 297 total cpu time spent up to now is 503.4 secs Computing kpt #: 298 total cpu time spent up to now is 505.2 secs Computing kpt #: 299 total cpu time spent up to now is 506.9 secs Computing kpt #: 300 total cpu time spent up to now is 508.6 secs Computing kpt #: 301 total cpu time spent up to now is 510.3 secs Computing kpt #: 302 total cpu time spent up to now is 512.2 secs Computing kpt #: 303 total cpu time spent up to now is 514.0 secs Computing kpt #: 304 total cpu time spent up to now is 516.4 secs Computing kpt #: 305 total cpu time spent up to now is 518.0 secs Computing kpt #: 306 total cpu time spent up to now is 519.9 secs Computing kpt #: 307 total cpu time spent up to now is 521.6 secs Computing kpt #: 308 total cpu time spent up to now is 523.3 secs Computing kpt #: 309 total cpu time spent up to now is 524.9 secs Computing kpt #: 310 total cpu time spent up to now is 526.9 secs Computing kpt #: 311 total cpu time spent up to now is 528.6 secs Computing kpt #: 312 total cpu time spent up to now is 530.3 secs Computing kpt #: 313 total cpu time spent up to now is 532.0 secs Computing kpt #: 314 total cpu time spent up to now is 533.6 secs Computing kpt #: 315 total cpu time spent up to now is 535.2 secs Computing kpt #: 316 total cpu time spent up to now is 536.8 secs Computing kpt #: 317 total cpu time spent up to now is 538.4 secs Computing kpt #: 318 total cpu time spent up to now is 539.9 secs Computing kpt #: 319 total cpu time spent up to now is 541.4 secs Computing kpt #: 320 total cpu time spent up to now is 543.1 secs Computing kpt #: 321 total cpu time spent up to now is 544.6 secs Computing kpt #: 322 total cpu time spent up to now is 546.2 secs Computing kpt #: 323 total cpu time spent up to now is 547.5 secs Computing kpt #: 324 total cpu time spent up to now is 548.7 secs Computing kpt #: 325 total cpu time spent up to now is 550.0 secs Computing kpt #: 326 total cpu time spent up to now is 551.4 secs Computing kpt #: 327 total cpu time spent up to now is 553.2 secs Computing kpt #: 328 total cpu time spent up to now is 554.5 secs Computing kpt #: 329 total cpu time spent up to now is 555.6 secs Computing kpt #: 330 total cpu time spent up to now is 556.7 secs ethr = 2.50E-11, avg # of iterations = 31.3 total cpu time spent up to now is 556.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3109 PWs) bands (ev): -5.1983 -5.1983 -2.9726 -2.9726 -0.1251 -0.1251 0.0939 0.0939 3.6522 3.6522 5.0203 5.0203 5.7637 5.7637 6.3689 6.3689 6.9647 6.9647 7.0957 7.0957 7.4131 7.4131 7.9381 7.9381 8.0236 8.0236 8.7750 8.7750 9.0394 9.0394 9.1712 9.1712 9.1893 9.1893 9.2927 9.2927 9.5623 9.5623 10.2850 10.2850 11.4394 11.4394 13.1281 13.1281 14.2950 14.2950 14.3373 14.3373 k = 0.0000 0.0000 0.0174 ( 3109 PWs) bands (ev): -5.1972 -5.1971 -2.9727 -2.9725 -0.1277 -0.1255 0.0892 0.0912 3.6600 3.6603 5.0157 5.0181 5.7319 5.7463 6.3866 6.3958 6.9666 6.9720 7.0938 7.0948 7.4108 7.4147 7.9375 7.9398 8.0224 8.0269 8.7759 8.7776 9.0401 9.0413 9.1700 9.1724 9.1881 9.1908 9.2916 9.2928 9.5616 9.5633 10.2870 10.2876 11.4395 11.4422 13.1286 13.1296 14.2850 14.3000 14.3248 14.3401 k = 0.0000 0.0000 0.0347 ( 3113 PWs) bands (ev): -5.1938 -5.1937 -2.9730 -2.9725 -0.1338 -0.1293 0.0776 0.0817 3.6833 3.6840 5.0042 5.0091 5.6623 5.6868 6.4414 6.4546 6.9779 6.9893 7.0894 7.0914 7.4078 7.4154 7.9380 7.9427 8.0232 8.0325 8.7801 8.7834 9.0432 9.0456 9.1688 9.1737 9.1870 9.1926 9.2896 9.2919 9.5613 9.5646 10.2934 10.2947 11.4426 11.4478 13.1312 13.1333 14.2671 14.2992 14.3038 14.3363 k = 0.0000 0.0000 0.0521 ( 3107 PWs) bands (ev): -5.1881 -5.1880 -2.9735 -2.9727 -0.1446 -0.1378 0.0610 0.0672 3.7218 3.7227 4.9862 4.9935 5.5711 5.6015 6.5149 6.5271 7.0000 7.0189 7.0830 7.0856 7.4041 7.4152 7.9392 7.9465 8.0264 8.0403 8.7873 8.7926 9.0489 9.0525 9.1676 9.1749 9.1861 9.1947 9.2867 9.2902 9.5612 9.5663 10.3043 10.3061 11.4488 11.4566 13.1358 13.1390 14.2380 14.2650 14.3022 14.3298 k = 0.0000 0.0000 0.0694 ( 3109 PWs) bands (ev): -5.1801 -5.1800 -2.9742 -2.9731 -0.1621 -0.1533 0.0423 0.0504 3.7744 3.7756 4.9619 4.9716 5.4688 5.5029 6.5915 6.5990 7.0341 7.0609 7.0765 7.0812 7.3996 7.4139 7.9409 7.9507 8.0322 8.0506 8.7974 8.8048 9.0569 9.0618 9.1664 9.1760 9.1853 9.1972 9.2832 9.2877 9.5615 9.5683 10.3194 10.3218 11.4580 11.4683 13.1423 13.1467 14.1962 14.2179 14.3003 14.3227 k = 0.0000 0.0000 0.0868 ( 3101 PWs) bands (ev): -5.1699 -5.1698 -2.9751 -2.9738 -0.1886 -0.1784 0.0254 0.0346 3.8403 3.8416 4.9318 4.9437 5.3615 5.3980 6.6604 6.6618 7.0543 7.0644 7.1011 7.1304 7.3944 7.4115 7.9428 7.9550 8.0409 8.0635 8.8098 8.8197 9.0674 9.0736 9.1653 9.1771 9.1848 9.2002 9.2793 9.2850 9.5623 9.5709 10.3386 10.3415 11.4703 11.4830 13.1507 13.1563 14.1422 14.1600 14.2970 14.3154 k = 0.0000 0.0000 0.1041 ( 3103 PWs) bands (ev): -5.1575 -5.1573 -2.9763 -2.9748 -0.2255 -0.2150 0.0130 0.0224 3.9180 3.9194 4.8963 4.9104 5.2525 5.2908 6.7123 6.7162 7.0455 7.0528 7.1717 7.2107 7.3884 7.4090 7.9445 7.9587 8.0528 8.0790 8.8240 8.8368 9.0800 9.0877 9.1639 9.1777 9.1842 9.2035 9.2750 9.2820 9.5633 9.5738 10.3617 10.3649 11.4858 11.5009 13.1606 13.1676 14.0773 14.0924 14.2924 14.3078 k = 0.0000 0.0000 0.1215 ( 3101 PWs) bands (ev): -5.1428 -5.1426 -2.9780 -2.9763 -0.2728 -0.2627 0.0060 0.0148 4.0059 4.0074 4.8558 4.8722 5.1438 5.1838 6.7515 6.7589 7.0327 7.0396 7.2588 7.3028 7.3824 7.4107 7.9459 7.9616 8.0680 8.0969 8.8397 8.8558 9.0944 9.1040 9.1623 9.1779 9.1843 9.2075 9.2707 9.2795 9.5649 9.5772 10.3883 10.3919 11.5045 11.5218 13.1720 13.1806 14.0031 14.0161 14.2864 14.2996 k = 0.0000 0.0000 0.1388 ( 3105 PWs) bands (ev): -5.1259 -5.1256 -2.9803 -2.9784 -0.3288 -0.3195 0.0037 0.0115 4.1024 4.1037 4.8111 4.8300 5.0371 5.0790 6.7824 6.7916 7.0186 7.0254 7.3327 7.3734 7.3962 7.4476 7.9470 7.9635 8.0861 8.1172 8.8561 8.8760 9.1098 9.1219 9.1604 9.1775 9.1855 9.2124 9.2666 9.2779 9.5668 9.5811 10.4182 10.4220 11.5266 11.5459 13.1846 13.1949 13.9208 13.9324 14.2788 14.2903 k = 0.0000 0.0000 0.1562 ( 3109 PWs) bands (ev): -5.1069 -5.1066 -2.9833 -2.9811 -0.3916 -0.3831 0.0047 0.0114 4.2046 4.2056 4.7626 4.7847 4.9342 4.9790 6.8077 6.8176 7.0039 7.0106 7.3460 7.3683 7.4965 7.5460 7.9478 7.9644 8.1070 8.1395 8.8726 8.8967 9.1246 9.1399 9.1585 9.1764 9.1898 9.2189 9.2631 9.2779 9.5691 9.5854 10.4510 10.4551 11.5520 11.5733 13.1980 13.2103 13.8319 13.8425 14.2694 14.2796 k = 0.0000 0.0000 0.1736 ( 3109 PWs) bands (ev): -5.0856 -5.0853 -2.9871 -2.9848 -0.4592 -0.4515 0.0083 0.0140 4.3078 4.3087 4.7105 4.7377 4.8389 4.8882 6.8295 6.8394 6.9890 6.9957 7.3387 7.3583 7.6111 7.6601 7.9485 7.9644 8.1302 8.1636 8.8888 8.9174 9.1356 9.1502 9.1624 9.1750 9.2002 9.2283 9.2606 9.2798 9.5720 9.5904 10.4864 10.4907 11.5809 11.6040 13.2118 13.2263 13.7377 13.7475 14.2571 14.2669 k = 0.0000 0.0000 0.1909 ( 3107 PWs) bands (ev): -5.0623 -5.0620 -2.9919 -2.9895 -0.5301 -0.5231 0.0136 0.0184 4.3995 4.4018 4.6541 4.6881 4.7645 4.8184 6.8488 6.8584 6.9743 6.9809 7.3271 7.3458 7.7292 7.7763 7.9499 7.9638 8.1555 8.1893 8.9040 8.9372 9.1385 9.1497 9.1731 9.1748 9.2186 9.2427 9.2596 9.2845 9.5754 9.5958 10.5241 10.5286 11.6133 11.6379 13.2254 13.2423 13.6394 13.6487 14.2392 14.2515 k = 0.0000 0.0000 0.2083 ( 3107 PWs) bands (ev): -5.0369 -5.0366 -2.9980 -2.9954 -0.6029 -0.5965 0.0204 0.0243 4.4469 4.4582 4.5917 4.6266 4.7530 4.7982 6.8663 6.8754 6.9602 6.9668 7.3135 7.3315 7.8467 7.8841 7.9592 7.9633 8.1827 8.2164 8.9177 8.9552 9.1336 9.1484 9.1730 9.1837 9.2419 9.2606 9.2632 9.2933 9.5793 9.6017 10.5637 10.5683 11.6492 11.6750 13.2376 13.2571 13.5385 13.5475 14.2105 14.2310 k = 0.0000 0.0000 0.2256 ( 3113 PWs) bands (ev): -5.0095 -5.0091 -3.0055 -3.0028 -0.6765 -0.6707 0.0281 0.0314 4.4241 4.4493 4.5263 4.5603 4.8234 4.8532 6.8817 6.8902 6.9477 6.9544 7.2987 7.3160 7.9291 7.9437 7.9810 8.0282 8.2120 8.2450 8.9295 8.9707 9.1251 9.1446 9.1743 9.1898 9.2581 9.2694 9.2893 9.3100 9.5838 9.6080 10.6049 10.6096 11.6884 11.7153 13.2463 13.2675 13.4375 13.4471 14.1640 14.1975 k = 0.0000 0.0000 0.2430 ( 3105 PWs) bands (ev): -4.9801 -4.9797 -3.0147 -3.0119 -0.7499 -0.7445 0.0366 0.0393 4.3607 4.3922 4.4648 4.4972 4.9379 4.9593 6.8932 6.9006 6.9390 6.9463 7.2830 7.2996 7.9325 7.9515 8.0832 8.1319 8.2457 8.2759 8.9392 8.9828 9.1149 9.1382 9.1783 9.1940 9.2628 9.2845 9.3214 9.3377 9.5890 9.6146 10.6473 10.6522 11.7310 11.7587 13.2421 13.2592 13.3453 13.3617 14.1004 14.1427 k = 0.0000 0.0000 0.2603 ( 3106 PWs) bands (ev): -4.9489 -4.9484 -3.0257 -3.0229 -0.8222 -0.8173 0.0457 0.0479 4.2846 4.3174 4.4054 4.4358 5.0703 5.0879 6.8958 6.9020 6.9394 6.9474 7.2666 7.2824 7.9308 7.9484 8.1882 8.2208 8.2936 8.3127 8.9463 8.9908 9.1033 9.1299 9.1847 9.1973 9.2670 9.2965 9.3583 9.3732 9.5950 9.6216 10.6905 10.6955 11.7768 11.8049 13.1859 13.1950 13.2978 13.3306 14.0288 14.0750 k = 0.0000 0.0000 0.2777 ( 3107 PWs) bands (ev): -4.9158 -4.9153 -3.0388 -3.0360 -0.8928 -0.8882 0.0553 0.0570 4.2062 4.2390 4.3458 4.3748 5.2116 5.2273 6.8895 6.8949 6.9493 6.9573 7.2497 7.2647 7.9275 7.9437 8.2710 8.2777 8.3548 8.3828 8.9508 8.9944 9.0907 9.1200 9.1935 9.2005 9.2719 9.3076 9.3983 9.4133 9.6021 9.6288 10.7341 10.7393 11.8256 11.8539 13.0876 13.0960 13.2879 13.3276 13.9576 14.0066 k = 0.0000 0.0000 0.2951 ( 3107 PWs) bands (ev): -4.8809 -4.8805 -3.0542 -3.0513 -0.9609 -0.9567 0.0651 0.0664 4.1291 4.1617 4.2859 4.3141 5.3581 5.3729 6.8797 6.8848 6.9632 6.9710 7.2326 7.2467 7.9233 7.9382 8.3076 8.3305 8.4318 8.4757 8.9530 8.9940 9.0772 9.1090 9.2019 9.2065 9.2773 9.3187 9.4401 9.4566 9.6108 9.6364 10.7777 10.7832 11.8771 11.9053 12.9815 12.9898 13.2798 13.3240 13.8923 13.9440 k = 0.0000 0.0000 0.3124 ( 3107 PWs) bands (ev): -4.8445 -4.8440 -3.0720 -3.0692 -1.0259 -1.0221 0.0751 0.0761 4.0550 4.0873 4.2262 4.2539 5.5081 5.5224 6.8692 6.8741 6.9785 6.9860 7.2153 7.2286 7.9184 7.9320 8.3389 8.3666 8.5184 8.5657 8.9534 8.9902 9.0630 9.0970 9.2058 9.2191 9.2832 9.3300 9.4818 9.5018 9.6226 9.6449 10.8210 10.8268 11.9312 11.9590 12.8739 12.8822 13.2656 13.3126 13.8375 13.8907 k = 0.0000 0.0000 0.3298 ( 3111 PWs) bands (ev): -4.8065 -4.8060 -3.0924 -3.0897 -1.0875 -1.0840 0.0852 0.0858 3.9846 4.0166 4.1671 4.1945 5.6605 5.6745 6.8590 6.8637 6.9941 7.0015 7.1982 7.2106 7.9130 7.9252 8.3685 8.3977 8.6002 8.6466 8.9532 8.9843 9.0483 9.0844 9.2095 9.2336 9.2898 9.3414 9.5204 9.5472 9.6404 9.6556 10.8633 10.8695 11.9874 12.0144 12.7666 12.7749 13.2432 13.2905 13.7960 13.8487 k = 0.0000 0.0000 0.3471 ( 3103 PWs) bands (ev): -4.7672 -4.7667 -3.1155 -3.1128 -1.1452 -1.1420 0.0952 0.0956 3.9185 3.9501 4.1091 4.1363 5.8144 5.8282 6.8494 6.8539 7.0098 7.0172 7.1814 7.1929 7.9072 7.9179 8.3974 8.4270 8.6714 8.7127 8.9545 8.9798 9.0333 9.0718 9.2135 9.2488 9.2971 9.3530 9.5510 9.5881 9.6681 9.6732 10.9044 10.9109 12.0454 12.0713 12.6605 12.6688 13.2129 13.2574 13.7686 13.8180 k = 0.0000 0.0000 0.3645 ( 3099 PWs) bands (ev): -4.7267 -4.7262 -3.1412 -3.1386 -1.1987 -1.1958 0.1049 0.1052 3.8570 3.8882 4.0526 4.0795 5.9690 5.9826 6.8405 6.8449 7.0254 7.0331 7.1650 7.1757 7.9011 7.9102 8.4257 8.4553 8.7266 8.7568 8.9575 8.9850 9.0183 9.0600 9.2180 9.2639 9.3056 9.3647 9.5715 9.6163 9.7036 9.7094 10.9435 10.9505 12.1044 12.1290 12.5564 12.5649 13.1765 13.2159 13.7532 13.7972 k = 0.0000 0.0000 0.3818 ( 3101 PWs) bands (ev): -4.6852 -4.6847 -3.1695 -3.1670 -1.2477 -1.2451 0.1144 0.1146 3.8004 3.8310 3.9979 4.0246 6.1235 6.1370 6.8325 6.8367 7.0407 7.0488 7.1495 7.1593 7.8948 7.9023 8.4534 8.4828 8.7591 8.7737 8.9599 9.0009 9.0117 9.0521 9.2228 9.2780 9.3157 9.3762 9.5841 9.6304 9.7504 9.7588 10.9800 10.9877 12.1637 12.1867 12.4553 12.4638 13.1371 13.1699 13.7465 13.7838 k = 0.0000 0.0000 0.3992 ( 3103 PWs) bands (ev): -4.6429 -4.6425 -3.2001 -3.1979 -1.2923 -1.2900 0.1234 0.1236 3.7487 3.7788 3.9455 3.9719 6.2772 6.2903 6.8256 6.8296 7.0552 7.0643 7.1350 7.1442 7.8886 7.8942 8.4807 8.5097 8.7653 8.7670 8.9603 8.9893 9.0423 9.0578 9.2281 9.2900 9.3282 9.3876 9.5923 9.6371 9.8054 9.8140 11.0135 11.0218 12.2214 12.2431 12.3586 12.3670 13.0979 13.1235 13.7447 13.7751 k = 0.0000 0.0000 0.4165 ( 3095 PWs) bands (ev): -4.6003 -4.5999 -3.2328 -3.2308 -1.3322 -1.3302 0.1320 0.1323 3.7022 3.7316 3.8956 3.9216 6.4289 6.4415 6.8198 6.8238 7.0682 7.0791 7.1226 7.1315 7.8827 7.8863 8.5075 8.5361 8.7437 8.7490 8.9523 8.9769 9.0641 9.0913 9.2342 9.2999 9.3429 9.3987 9.5978 9.6400 9.8645 9.8727 11.0431 11.0520 12.2492 12.2637 12.2983 12.3048 13.0621 13.0804 13.7449 13.7683 k = 0.0000 0.0000 0.4339 ( 3091 PWs) bands (ev): -4.5576 -4.5572 -3.2672 -3.2653 -1.3676 -1.3658 0.1400 0.1404 3.6610 3.6895 3.8486 3.8741 6.5766 6.5882 6.8160 6.8202 7.0771 7.0901 7.1151 7.1248 7.8772 7.8789 8.5337 8.5618 8.7087 8.7166 8.9379 8.9623 9.0889 9.1280 9.2412 9.3079 9.3589 9.4093 9.6016 9.6406 9.9256 9.9334 11.0679 11.0776 12.1709 12.1809 12.3416 12.3529 13.0326 13.0435 13.7446 13.7612 k = 0.0000 0.0000 0.4513 ( 3087 PWs) bands (ev): -4.5153 -4.5150 -3.3026 -3.3010 -1.3986 -1.3970 0.1474 0.1478 3.6250 3.6525 3.8049 3.8297 6.7130 6.7233 6.8183 6.8248 7.0775 7.0885 7.1205 7.1318 7.8716 7.8731 8.5593 8.5866 8.6645 8.6726 8.9208 8.9456 9.1149 9.1596 9.2497 9.3147 9.3752 9.4192 9.6043 9.6396 9.9876 9.9949 11.0874 11.0976 12.0898 12.0997 12.3910 12.3993 13.0119 13.0157 13.7419 13.7520 k = 0.0000 0.0000 0.4686 ( 3085 PWs) bands (ev): -4.4741 -4.4738 -3.3384 -3.3370 -1.4252 -1.4239 0.1541 0.1545 3.5943 3.6205 3.7648 3.7887 6.7842 6.7908 6.8795 6.8858 7.0711 7.0796 7.1372 7.1539 7.8661 7.8700 8.5824 8.6028 8.6152 8.6251 8.9025 8.9275 9.1388 9.1842 9.2604 9.3206 9.3906 9.4283 9.6061 9.6372 10.0495 10.0564 11.1005 11.1113 12.0159 12.0256 12.4345 12.4390 12.9989 13.0021 13.7353 13.7396 k = 0.0000 0.0000 0.4860 ( 3079 PWs) bands (ev): -4.4346 -4.4343 -3.3736 -3.3724 -1.4477 -1.4467 0.1600 0.1604 3.5689 3.5934 3.7289 3.7515 6.7914 6.7949 6.9852 6.9903 7.0631 7.0702 7.1686 7.1949 7.8623 7.8693 8.5460 8.5540 8.6118 8.6389 8.8835 8.9084 9.1597 9.2016 9.2731 9.3256 9.4049 9.4362 9.6072 9.6340 10.1101 10.1166 11.1070 11.1179 11.9508 11.9602 12.4695 12.4706 12.9949 13.0038 13.7231 13.7244 k = 0.0000 0.0000 0.5033 ( 3077 PWs) bands (ev): -4.3979 -4.3976 -3.4071 -3.4061 -1.4664 -1.4655 0.1652 0.1655 3.5485 3.5710 3.6975 3.7184 6.7912 6.7937 7.0511 7.0552 7.0622 7.0681 7.2337 7.2674 7.8616 7.8720 8.4775 8.4838 8.6355 8.6622 8.8640 8.8888 9.1772 9.2128 9.2868 9.3298 9.4174 9.4428 9.6079 9.6301 10.1679 10.1739 11.1067 11.1173 11.8961 11.9048 12.4932 12.4952 13.0034 13.0164 13.7032 13.7082 k = 0.0000 0.0000 0.5207 ( 3077 PWs) bands (ev): -4.3650 -4.3647 -3.4377 -3.4369 -1.4813 -1.4806 0.1694 0.1698 3.5332 3.5530 3.6713 3.6897 6.7901 6.7920 7.0484 7.0520 7.0914 7.1001 7.3304 7.3633 7.8663 7.8802 8.4012 8.4066 8.6592 8.6853 8.8441 8.8687 9.1915 9.2196 9.3000 9.3330 9.4281 9.4479 9.6083 9.6260 10.2212 10.2265 11.1006 11.1104 11.8523 11.8600 12.5084 12.5118 13.0221 13.0370 13.6806 13.6882 k = 0.0000 0.0000 0.5380 ( 3079 PWs) bands (ev): -4.3371 -4.3370 -3.4638 -3.4632 -1.4926 -1.4921 0.1728 0.1731 3.5227 3.5388 3.6508 3.6659 6.7890 6.7905 7.0432 7.0460 7.1099 7.1159 7.4295 7.4591 7.8804 7.8971 8.3191 8.3241 8.6825 8.7077 8.8242 8.8484 9.2029 9.2235 9.3114 9.3351 9.4368 9.4515 9.6088 9.6219 10.2676 10.2720 11.0908 11.0990 11.8196 11.8258 12.5177 12.5213 13.0468 13.0612 13.6576 13.6661 k = 0.0000 0.0000 0.5554 ( 3081 PWs) bands (ev): -4.3159 -4.3157 -3.4839 -3.4835 -1.5006 -1.5003 0.1753 0.1754 3.5165 3.5281 3.6365 3.6475 6.7883 6.7893 7.0395 7.0414 7.1207 7.1244 7.5129 7.5364 7.9100 7.9274 8.2335 8.2389 8.7049 8.7285 8.8051 8.8280 9.2117 9.2251 9.3208 9.3359 9.4437 9.4533 9.6095 9.6181 10.3044 10.3076 11.0803 11.0862 11.7976 11.8019 12.5230 12.5259 13.0719 13.0834 13.6375 13.6449 k = 0.0000 0.0000 0.5728 ( 3089 PWs) bands (ev): -4.3024 -4.3024 -3.4967 -3.4965 -1.5053 -1.5052 0.1768 0.1769 3.5144 3.5205 3.6291 3.6349 6.7879 6.7884 7.0374 7.0383 7.1268 7.1285 7.5692 7.5825 7.9586 7.9723 8.1508 8.1569 8.7258 8.7439 8.7906 8.8083 9.2181 9.2246 9.3277 9.3351 9.4487 9.4535 9.6107 9.6149 10.3285 10.3302 11.0726 11.0758 11.7852 11.7875 12.5259 12.5275 13.0917 13.0981 13.6243 13.6286 k = 0.0000 0.0000 0.5901 ( 3100 PWs) bands (ev): -4.2978 -4.2978 -3.5010 -3.5010 -1.5068 -1.5068 0.1773 0.1773 3.5158 3.5158 3.6286 3.6286 6.7879 6.7879 7.0370 7.0370 7.1293 7.1293 7.5930 7.5930 8.0023 8.0023 8.1052 8.1052 8.7424 8.7424 8.7923 8.7923 9.2223 9.2223 9.3323 9.3323 9.4519 9.4519 9.6124 9.6124 10.3374 10.3374 11.0708 11.0708 11.7820 11.7820 12.5273 12.5273 13.1013 13.1013 13.6210 13.6210 k = 0.0000 0.0000 0.5901 ( 3100 PWs) bands (ev): -4.2978 -4.2978 -3.5010 -3.5010 -1.5068 -1.5068 0.1773 0.1773 3.5158 3.5158 3.6286 3.6286 6.7879 6.7879 7.0370 7.0370 7.1293 7.1293 7.5930 7.5930 8.0023 8.0023 8.1052 8.1052 8.7424 8.7424 8.7923 8.7923 9.2223 9.2223 9.3323 9.3323 9.4519 9.4519 9.6124 9.6124 10.3374 10.3374 11.0708 11.0708 11.7820 11.7820 12.5273 12.5273 13.1013 13.1013 13.6210 13.6210 k = 0.0000 0.0172 0.5901 ( 3092 PWs) bands (ev): -4.2970 -4.2970 -3.5004 -3.5004 -1.5062 -1.5059 0.1776 0.1780 3.5168 3.5169 3.6294 3.6299 6.7852 6.7856 7.0337 7.0345 7.1291 7.1294 7.5921 7.5943 7.9997 8.0024 8.1058 8.1068 8.7364 8.7420 8.7881 8.7899 9.2214 9.2243 9.3303 9.3339 9.4483 9.4548 9.6114 9.6136 10.3369 10.3379 11.0637 11.0687 11.7724 11.7745 12.5287 12.5297 13.1061 13.1144 13.6165 13.6202 k = 0.0000 0.0343 0.5901 ( 3090 PWs) bands (ev): -4.2948 -4.2947 -3.4987 -3.4986 -1.5039 -1.5034 0.1789 0.1796 3.5198 3.5201 3.6324 3.6334 6.7774 6.7783 7.0248 7.0262 7.1287 7.1292 7.5916 7.5958 7.9946 7.9999 8.1086 8.1107 8.7242 8.7352 8.7773 8.7807 9.2216 9.2271 9.3276 9.3348 9.4440 9.4566 9.6105 9.6147 10.3363 10.3383 11.0476 11.0575 11.7470 11.7508 12.5336 12.5357 13.1282 13.1443 13.6044 13.6135 k = 0.0000 0.0515 0.5901 ( 3090 PWs) bands (ev): -4.2909 -4.2909 -3.4958 -3.4956 -1.5001 -1.4993 0.1811 0.1822 3.5248 3.5253 3.6376 3.6391 6.7647 6.7660 7.0107 7.0126 7.1279 7.1286 7.5912 7.5976 7.9868 7.9946 8.1134 8.1165 8.7067 8.7224 8.7601 8.7649 9.2226 9.2305 9.3242 9.3351 9.4392 9.4572 9.6097 9.6158 10.3358 10.3386 11.0230 11.0377 11.7084 11.7134 12.5419 12.5448 13.1651 13.1882 13.5799 13.5978 k = 0.0000 0.0686 0.5901 ( 3088 PWs) bands (ev): -4.2856 -4.2855 -3.4917 -3.4915 -1.4947 -1.4937 0.1843 0.1857 3.5319 3.5326 3.6449 3.6469 6.7472 6.7490 6.9919 6.9940 7.1263 7.1272 7.5909 7.5992 7.9759 7.9861 8.1198 8.1240 8.6849 8.7048 8.7365 8.7427 9.2242 9.2339 9.3201 9.3347 9.4339 9.4564 9.6088 9.6166 10.3355 10.3389 10.9905 11.0098 11.6602 11.6659 12.5529 12.5565 13.2132 13.2424 13.5391 13.5686 k = 0.0000 0.0858 0.5901 ( 3094 PWs) bands (ev): -4.2788 -4.2787 -3.4865 -3.4863 -1.4878 -1.4865 0.1883 0.1902 3.5410 3.5419 3.6543 3.6568 6.7252 6.7275 6.9688 6.9710 7.1236 7.1250 7.5903 7.6004 7.9616 7.9742 8.1273 8.1327 8.6596 8.6838 8.7066 8.7150 9.2258 9.2371 9.3152 9.3335 9.4281 9.4540 9.6077 9.6168 10.3356 10.3392 10.9512 10.9749 11.6058 11.6116 12.5663 12.5705 13.2679 13.3022 13.4819 13.5231 k = 0.0000 0.1029 0.5901 ( 3094 PWs) bands (ev): -4.2704 -4.2703 -3.4802 -3.4800 -1.4793 -1.4777 0.1933 0.1955 3.5522 3.5532 3.6659 3.6689 6.6991 6.7019 6.9418 6.9439 7.1199 7.1220 7.5889 7.6006 7.9436 7.9584 8.1353 8.1421 8.6314 8.6608 8.6707 8.6833 9.2270 9.2397 9.3095 9.3315 9.4219 9.4500 9.6062 9.6163 10.3361 10.3399 10.9060 10.9338 11.5484 11.5540 12.5815 12.5862 13.3198 13.3528 13.4240 13.4662 k = 0.0000 0.1201 0.5901 ( 3096 PWs) bands (ev): -4.2606 -4.2604 -3.4729 -3.4725 -1.4692 -1.4674 0.1991 0.2017 3.5653 3.5665 3.6795 3.6831 6.6690 6.6724 6.9111 6.9132 7.1150 7.1179 7.5863 7.5993 7.9217 7.9383 8.1430 8.1516 8.5996 8.6282 8.6383 8.6501 9.2274 9.2417 9.3029 9.3287 9.4151 9.4441 9.6040 9.6148 10.3370 10.3411 10.8561 10.8876 11.4904 11.4956 12.5980 12.6032 13.2954 13.3404 13.4315 13.4598 k = 0.0000 0.1372 0.5901 ( 3098 PWs) bands (ev): -4.2493 -4.2491 -3.4644 -3.4641 -1.4576 -1.4555 0.2057 0.2086 3.5805 3.5819 3.6952 3.6994 6.6354 6.6393 6.8772 6.8792 7.1091 7.1128 7.5816 7.5954 7.8961 7.9142 8.1493 8.1600 8.5622 8.5816 8.6155 8.6194 9.2267 9.2429 9.2954 9.3251 9.4076 9.4364 9.6011 9.6123 10.3381 10.3429 10.8024 10.8374 11.4339 11.4387 12.6154 12.6212 13.2043 13.2630 13.4815 13.5222 k = 0.0000 0.1544 0.5901 ( 3092 PWs) bands (ev): -4.2366 -4.2363 -3.4550 -3.4546 -1.4444 -1.4421 0.2131 0.2163 3.5976 3.5991 3.7130 3.7177 6.5986 6.6031 6.8403 6.8423 7.1021 7.1067 7.5740 7.5879 7.8678 7.8864 8.1525 8.1662 8.5186 8.5316 8.5927 8.5959 9.2247 9.2432 9.2872 9.3207 9.3992 9.4269 9.5971 9.6085 10.3392 10.3456 10.7460 10.7841 11.3804 11.3848 12.6334 12.6400 13.1023 13.1637 13.5431 13.5888 k = 0.0000 0.1715 0.5901 ( 3084 PWs) bands (ev): -4.2224 -4.2222 -3.4446 -3.4442 -1.4297 -1.4272 0.2211 0.2247 3.6166 3.6184 3.7328 3.7382 6.5588 6.5639 6.8006 6.8027 7.0941 7.0996 7.5620 7.5750 7.8382 7.8563 8.1500 8.1677 8.4713 8.4808 8.5720 8.5778 9.2211 9.2426 9.2783 9.3156 9.3899 9.4156 9.5920 9.6034 10.3401 10.3489 10.6878 10.7286 11.3310 11.3352 12.6513 12.6594 12.9957 13.0561 13.6051 13.6541 k = 0.0000 0.1887 0.5901 ( 3083 PWs) bands (ev): -4.2068 -4.2066 -3.4334 -3.4328 -1.4135 -1.4107 0.2297 0.2337 3.6376 3.6395 3.7545 3.7606 6.5163 6.5220 6.7585 6.7606 7.0850 7.0914 7.5438 7.5545 7.8096 7.8256 8.1380 8.1608 8.4250 8.4332 8.5554 8.5627 9.2160 9.2408 9.2690 9.3098 9.3797 9.4028 9.5856 9.5971 10.3405 10.3523 10.6288 10.6718 11.2864 11.2906 12.6680 12.6792 12.8882 12.9440 13.6649 13.7168 k = 0.0000 0.2058 0.5901 ( 3079 PWs) bands (ev): -4.1899 -4.1896 -3.4212 -3.4207 -1.3959 -1.3928 0.2389 0.2432 3.6605 3.6625 3.7782 3.7850 6.4714 6.4777 6.7142 6.7164 7.0750 7.0822 7.5175 7.5248 7.7845 7.7966 8.1114 8.1401 8.3858 8.3938 8.5422 8.5502 9.2092 9.2375 9.2594 9.3034 9.3684 9.3885 9.5780 9.5894 10.3400 10.3554 10.5698 10.6145 11.2474 11.2517 12.6769 12.6994 12.7876 12.8302 13.7216 13.7760 k = 0.0000 0.2230 0.5901 ( 3084 PWs) bands (ev): -4.1717 -4.1713 -3.4083 -3.4077 -1.3767 -1.3734 0.2485 0.2532 3.6852 3.6874 3.8038 3.8114 6.4244 6.4314 6.6679 6.6702 7.0640 7.0720 7.4812 7.4857 7.7640 7.7713 8.0671 8.1009 8.3586 8.3662 8.5317 8.5401 9.2008 9.2322 9.2505 9.2964 9.3560 9.3732 9.5690 9.5806 10.3376 10.3575 10.5119 10.5577 11.2139 11.2186 12.6348 12.7094 12.7230 12.7426 13.7746 13.8313 k = 0.0000 0.2401 0.5901 ( 3084 PWs) bands (ev): -4.1521 -4.1518 -3.3947 -3.3940 -1.3560 -1.3525 0.2584 0.2635 3.7117 3.7140 3.8312 3.8396 6.3755 6.3831 6.6198 6.6223 7.0520 7.0607 7.4332 7.4395 7.7482 7.7505 8.0060 8.0439 8.3432 8.3494 8.5234 8.5317 9.1909 9.2240 9.2430 9.2891 9.3427 9.3574 9.5589 9.5707 10.3317 10.3571 10.4568 10.5027 11.1863 11.1913 12.5384 12.5998 12.7420 12.7494 13.8233 13.8824 k = 0.0000 0.2573 0.5901 ( 3092 PWs) bands (ev): -4.1313 -4.1309 -3.3805 -3.3797 -1.3339 -1.3301 0.2686 0.2740 3.7400 3.7425 3.8604 3.8697 6.3250 6.3334 6.5702 6.5728 7.0390 7.0485 7.3762 7.3863 7.7337 7.7358 7.9324 7.9736 8.3354 8.3397 8.5165 8.5245 9.1797 9.2133 9.2368 9.2812 9.3284 9.3416 9.5475 9.5599 10.3184 10.3519 10.4078 10.4522 11.1642 11.1697 12.4356 12.4888 12.7640 12.7680 13.8672 13.9289 k = 0.0000 0.2744 0.5901 ( 3098 PWs) bands (ev): -4.1093 -4.1089 -3.3657 -3.3649 -1.3103 -1.3063 0.2789 0.2846 3.7699 3.7726 3.8914 3.9016 6.2732 6.2823 6.5193 6.5221 7.0251 7.0353 7.3131 7.3268 7.7200 7.7255 7.8505 7.8946 8.3305 8.3336 8.5104 8.5179 9.1676 9.2010 9.2310 9.2731 9.3131 9.3263 9.5351 9.5483 10.2910 10.3361 10.3702 10.4130 11.1474 11.1534 12.3350 12.3812 12.7867 12.7894 13.9053 13.9702 k = 0.0000 0.2916 0.5901 ( 3102 PWs) bands (ev): -4.0861 -4.0857 -3.3504 -3.3496 -1.2854 -1.2811 0.2892 0.2953 3.8016 3.8044 3.9240 3.9353 6.2204 6.2302 6.4673 6.4703 7.0103 7.0211 7.2458 7.2625 7.7074 7.7147 7.7647 7.8110 8.3252 8.3287 8.5045 8.5111 9.1549 9.1880 9.2251 9.2645 9.2973 9.3119 9.5218 9.5360 10.2498 10.3015 10.3471 10.3898 11.1356 11.1421 12.2389 12.2784 12.8104 12.8125 13.9358 14.0044 k = 0.0000 0.3087 0.5901 ( 3102 PWs) bands (ev): -4.0618 -4.0613 -3.3348 -3.3339 -1.2590 -1.2545 0.2994 0.3058 3.8347 3.8377 3.9582 3.9706 6.1668 6.1773 6.4144 6.4176 6.9947 7.0060 7.1756 7.1949 7.6657 7.6890 7.7127 7.7318 8.3180 8.3233 8.4982 8.5036 9.1421 9.1748 9.2190 9.2553 9.2816 9.2982 9.5078 9.5233 10.2028 10.2557 10.3299 10.3748 11.1283 11.1353 12.1487 12.1814 12.8352 12.8370 13.9543 14.0259 k = 0.0000 0.3259 0.5901 ( 3100 PWs) bands (ev): -4.0364 -4.0359 -3.3189 -3.3179 -1.2312 -1.2266 0.3093 0.3161 3.8694 3.8726 3.9939 4.0074 6.1128 6.1241 6.3607 6.3641 6.9781 6.9899 7.1035 7.1251 7.5742 7.6215 7.6956 7.7056 8.3080 8.3156 8.4911 8.4949 9.1296 9.1619 9.2125 9.2449 9.2671 9.2851 9.4932 9.5103 10.1552 10.2076 10.3119 10.3602 11.1251 11.1325 12.0652 12.0911 12.8611 12.8629 13.9552 14.0231 k = 0.0000 0.3430 0.5901 ( 3102 PWs) bands (ev): -4.0100 -4.0095 -3.3028 -3.3018 -1.2021 -1.1973 0.3188 0.3259 3.9055 3.9088 4.0309 4.0458 6.0586 6.0707 6.3065 6.3101 6.9607 6.9728 7.0305 7.0540 7.4797 7.5319 7.6843 7.6962 8.2945 8.3046 8.4826 8.4845 9.1179 9.1497 9.2056 9.2329 9.2546 9.2728 9.4781 9.4971 10.1087 10.1599 10.2909 10.3428 11.1255 11.1331 11.9893 12.0085 12.8884 12.8903 13.9384 13.9997 k = 0.0000 0.3602 0.5901 ( 3100 PWs) bands (ev): -3.9827 -3.9821 -3.2866 -3.2856 -1.1717 -1.1666 0.3278 0.3352 3.9429 3.9464 4.0694 4.0856 6.0047 6.0176 6.2518 6.2556 6.9423 6.9511 6.9602 6.9828 7.3848 7.4402 7.6741 7.6870 8.2770 8.2897 8.4712 8.4727 9.1074 9.1388 9.1984 9.2196 9.2441 9.2611 9.4629 9.4838 10.0643 10.1139 10.2661 10.3213 11.1289 11.1368 11.9213 11.9340 12.9171 12.9193 13.9112 13.9685 k = 0.0000 0.3773 0.5901 ( 3098 PWs) bands (ev): -3.9544 -3.9538 -3.2706 -3.2694 -1.1400 -1.1347 0.3360 0.3437 3.9816 3.9852 4.1090 4.1267 5.9514 5.9651 6.1969 6.2009 6.8817 6.9073 6.9247 6.9390 7.2904 7.3488 7.6637 7.6772 8.2552 8.2703 8.4557 8.4601 9.0984 9.1297 9.1906 9.2059 9.2350 9.2502 9.4477 9.4708 10.0224 10.0697 10.2373 10.2953 11.1351 11.1430 11.8615 11.8682 12.9475 12.9499 13.8800 13.9353 k = 0.0000 0.3945 0.5901 ( 3104 PWs) bands (ev): -3.9254 -3.9247 -3.2546 -3.2534 -1.1069 -1.1015 0.3434 0.3513 4.0212 4.0251 4.1496 4.1690 5.8991 5.9136 6.1418 6.1461 6.8080 6.8362 6.9045 6.9191 7.1974 7.2587 7.6528 7.6664 8.2290 8.2465 8.4368 8.4448 9.0907 9.1225 9.1817 9.1929 9.2266 9.2403 9.4326 9.4580 9.9830 10.0277 10.2048 10.2647 11.1435 11.1513 11.8096 11.8110 12.9795 12.9822 13.8484 13.9023 k = 0.0000 0.4116 0.5901 ( 3110 PWs) bands (ev): -3.8956 -3.8949 -3.2390 -3.2377 -1.0727 -1.0670 0.3496 0.3579 4.0618 4.0660 4.1913 4.2123 5.8481 5.8635 6.0867 6.0913 6.7345 6.7643 6.8841 6.8992 7.1064 7.1707 7.6412 7.6548 8.1985 8.2180 8.4142 8.4266 9.0844 9.1175 9.1709 9.1821 9.2184 9.2316 9.4178 9.4455 9.9464 9.9880 10.1691 10.2300 11.1538 11.1614 11.7620 11.7656 13.0132 13.0164 13.8180 13.8710 k = 0.0000 0.4288 0.5901 ( 3110 PWs) bands (ev): -3.8651 -3.8644 -3.2238 -3.2225 -1.0372 -1.0313 0.3547 0.3632 4.1032 4.1076 4.2338 4.2566 5.7988 5.8152 6.0318 6.0368 6.6615 6.6929 6.8632 6.8789 7.0181 7.0854 7.6288 7.6422 8.1639 8.1852 8.3875 8.4048 9.0792 9.1149 9.1585 9.1735 9.2103 9.2245 9.4036 9.4336 9.9125 9.9507 10.1309 10.1918 11.1657 11.1729 11.7210 11.7287 13.0488 13.0524 13.7898 13.8421 k = 0.0000 0.4459 0.5901 ( 3111 PWs) bands (ev): -3.8341 -3.8333 -3.2092 -3.2078 -1.0005 -0.9945 0.3583 0.3671 4.1451 4.1499 4.2770 4.3018 5.7518 5.7691 5.9769 5.9825 6.5892 6.6221 6.8417 6.8581 6.9331 7.0034 7.6157 7.6286 8.1256 8.1483 8.3564 8.3793 9.0747 9.1143 9.1457 9.1660 9.2021 9.2191 9.3900 9.4222 9.8812 9.9158 10.0911 10.1510 11.1789 11.1857 11.6872 11.6981 13.0862 13.0904 13.7645 13.8161 k = 0.0000 0.4631 0.5901 ( 3107 PWs) bands (ev): -3.8025 -3.8017 -3.1952 -3.1937 -0.9627 -0.9565 0.3604 0.3694 4.1875 4.1926 4.3207 4.3476 5.7073 5.7256 5.9223 5.9286 6.5178 6.5520 6.8198 6.8368 6.8520 6.9254 7.6018 7.6142 8.0841 8.1079 8.3207 8.3495 9.0707 9.1155 9.1333 9.1594 9.1942 9.2155 9.3771 9.4116 9.8524 9.8833 10.0506 10.1086 11.1931 11.1993 11.6596 11.6730 13.1254 13.1302 13.7426 13.7935 k = 0.0000 0.4802 0.5901 ( 3100 PWs) bands (ev): -3.7706 -3.7697 -3.1820 -3.1805 -0.9238 -0.9174 0.3608 0.3700 4.2300 4.2356 4.3649 4.3939 5.6659 5.6852 5.8679 5.8752 6.4472 6.4827 6.7749 6.7976 6.8157 6.8519 7.5871 7.5989 8.0399 8.0644 8.2803 8.3154 9.0669 9.1173 9.1221 9.1536 9.1866 9.2136 9.3651 9.4016 9.8261 9.8532 10.0102 10.0658 11.2080 11.2136 11.6373 11.6526 13.1665 13.1719 13.7243 13.7745 k = 0.0000 0.4974 0.5901 ( 3104 PWs) bands (ev): -3.7383 -3.7373 -3.1697 -3.1681 -0.8838 -0.8773 0.3593 0.3687 4.2724 4.2784 4.4094 4.4406 5.6278 5.6482 5.8137 5.8224 6.3776 6.4141 6.7029 6.7750 6.7826 6.7950 7.5719 7.5829 7.9936 8.0186 8.2352 8.2765 9.0628 9.1095 9.1214 9.1489 9.1796 9.2134 9.3539 9.3924 9.8021 9.8253 9.9708 10.0234 11.2235 11.2283 11.6193 11.6360 13.2093 13.2156 13.7097 13.7594 k = 0.0000 0.5145 0.5901 ( 3108 PWs) bands (ev): -3.7058 -3.7048 -3.1585 -3.1569 -0.8429 -0.8362 0.3557 0.3653 4.3144 4.3210 4.4541 4.4875 5.5933 5.6148 5.7599 5.7704 6.3089 6.3464 6.6362 6.7193 6.7525 6.7737 7.5561 7.5663 7.9458 7.9709 8.1854 8.2331 9.0585 9.0990 9.1235 9.1457 9.1737 9.2147 9.3436 9.3838 9.7804 9.7997 9.9329 9.9823 11.2393 11.2433 11.6048 11.6224 13.2539 13.2610 13.6991 13.7481 k = 0.0000 0.5317 0.5901 ( 3098 PWs) bands (ev): -3.6731 -3.6721 -3.1484 -3.1467 -0.8010 -0.7941 0.3499 0.3597 4.3557 4.3630 4.4988 4.5346 5.5625 5.5851 5.7069 5.7196 6.2413 6.2796 6.5751 6.6610 6.7301 6.7533 7.5400 7.5495 7.8969 7.9220 8.1314 8.1850 9.0540 9.0890 9.1237 9.1444 9.1697 9.2175 9.3342 9.3761 9.7608 9.7764 9.8973 9.9434 11.2554 11.2586 11.5930 11.6112 13.3001 13.3082 13.6924 13.7407 k = 0.0000 0.5488 0.5901 ( 3098 PWs) bands (ev): -3.6405 -3.6394 -3.1397 -3.1379 -0.7582 -0.7511 0.3419 0.3518 4.3962 4.4040 4.5434 4.5816 5.5349 5.5586 5.6554 5.6712 6.1745 6.2135 6.5197 6.6080 6.7083 6.7342 7.5237 7.5324 7.8473 7.8725 8.0734 8.1324 9.0492 9.0797 9.1219 9.1431 9.1689 9.2215 9.3255 9.3690 9.7433 9.7552 9.8642 9.9069 11.2714 11.2740 11.5833 11.6017 13.3478 13.3571 13.6896 13.7371 k = 0.0000 0.5660 0.5901 ( 3098 PWs) bands (ev): -3.6079 -3.6068 -3.1323 -3.1305 -0.7146 -0.7074 0.3315 0.3415 4.4353 4.4439 4.5879 4.6285 5.5088 5.5332 5.6076 5.6275 6.1086 6.1481 6.4701 6.5598 6.6876 6.7171 7.5073 7.5153 7.7976 7.8230 8.0121 8.0757 9.0444 9.0711 9.1190 9.1404 9.1717 9.2264 9.3176 9.3626 9.7278 9.7363 9.8339 9.8734 11.2873 11.2894 11.5749 11.5934 13.3968 13.4075 13.6907 13.7372 k = 0.0000 0.5831 0.5901 ( 3100 PWs) bands (ev): -3.5755 -3.5743 -3.1264 -3.1246 -0.6703 -0.6629 0.3186 0.3287 4.4730 4.4823 4.6323 4.6751 5.4803 5.5035 5.5690 5.5932 6.0435 6.0835 6.4258 6.5157 6.6686 6.7027 7.4911 7.4984 7.7479 7.7739 7.9482 8.0154 9.0395 9.0632 9.1159 9.1364 9.1771 9.2322 9.3103 9.3567 9.7140 9.7193 9.8063 9.8429 11.3029 11.3048 11.5676 11.5860 13.4469 13.4594 13.6956 13.7409 k = 0.0000 0.6003 0.5901 ( 3102 PWs) bands (ev): -3.5435 -3.5422 -3.1221 -3.1202 -0.6254 -0.6178 0.3031 0.3133 4.5090 4.5190 4.6766 4.7216 5.4445 5.4641 5.5462 5.5727 5.9793 6.0195 6.3861 6.4749 6.6524 6.6922 7.4753 7.4820 7.6983 7.7257 7.8826 7.9520 9.0348 9.0559 9.1127 9.1320 9.1836 9.2384 9.3037 9.3513 9.7019 9.7043 9.7816 9.8154 11.3180 11.3203 11.5609 11.5790 13.4977 13.5127 13.7043 13.7480 k = 0.0000 0.6174 0.5901 ( 3102 PWs) bands (ev): -3.5119 -3.5106 -3.1194 -3.1175 -0.5799 -0.5722 0.2852 0.2954 4.5433 4.5539 4.7207 4.7678 5.4011 5.4178 5.5380 5.5655 5.9160 5.9563 6.3498 6.4361 6.6401 6.6866 7.4599 7.4663 7.6487 7.6787 7.8165 7.8862 9.0304 9.0492 9.1098 9.1275 9.1905 9.2448 9.2976 9.3464 9.6910 9.6918 9.7596 9.7909 11.3327 11.3358 11.5545 11.5723 13.5488 13.5671 13.7167 13.7583 k = 0.0000 0.6346 0.5901 ( 3108 PWs) bands (ev): -3.4808 -3.4795 -3.1184 -3.1165 -0.5340 -0.5261 0.2646 0.2748 4.5756 4.5869 4.7649 4.8138 5.3535 5.3688 5.5402 5.5679 5.8541 5.8940 6.3157 6.3981 6.6328 6.6871 7.4450 7.4513 7.5984 7.6330 7.7516 7.8191 9.0263 9.0431 9.1072 9.1232 9.1975 9.2513 9.2921 9.3418 9.6797 9.6828 9.7401 9.7692 11.3471 11.3510 11.5482 11.5657 13.5994 13.6225 13.7332 13.7716 k = 0.0000 0.6517 0.5901 ( 3118 PWs) bands (ev): -3.4505 -3.4491 -3.1192 -3.1173 -0.4877 -0.4798 0.2416 0.2518 4.6063 4.6181 4.8091 4.8596 5.3044 5.3192 5.5502 5.5769 5.7944 5.8328 6.2821 6.3598 6.6319 6.6943 7.4304 7.4374 7.5468 7.5885 7.6898 7.7518 9.0226 9.0375 9.1048 9.1191 9.2042 9.2577 9.2869 9.3376 9.6701 9.6753 9.7231 9.7502 11.3610 11.3658 11.5419 11.5589 13.6478 13.6787 13.7541 13.7881 k = 0.0000 0.6689 0.5901 ( 3118 PWs) bands (ev): -3.4210 -3.4196 -3.1218 -3.1199 -0.4414 -0.4333 0.2161 0.2262 4.6354 4.6476 4.8536 4.9055 5.2555 5.2700 5.5663 5.5886 5.7397 5.7734 6.2480 6.3205 6.6384 6.7088 7.4149 7.4245 7.4939 7.5443 7.6336 7.6864 9.0194 9.0326 9.1027 9.1154 9.2106 9.2637 9.2823 9.3336 9.6622 9.6694 9.7083 9.7337 11.3746 11.3803 11.5353 11.5519 13.6920 13.7354 13.7796 13.8089 k = 0.0000 0.6860 0.5901 ( 3118 PWs) bands (ev): -3.3925 -3.3910 -3.1262 -3.1243 -0.3950 -0.3867 0.1883 0.1983 4.6632 4.6757 4.8985 4.9514 5.2077 5.2221 5.5854 5.5923 5.6998 5.7180 6.2123 6.2796 6.6528 6.7306 7.3914 7.4122 7.4461 7.4990 7.5846 7.6255 9.0167 9.0281 9.1010 9.1120 9.2167 9.2688 9.2787 9.3298 9.6558 9.6648 9.6956 9.7194 11.3878 11.3944 11.5285 11.5446 13.7299 13.7923 13.8066 13.8384 k = 0.0000 0.7032 0.5901 ( 3114 PWs) bands (ev): -3.3651 -3.3636 -3.1323 -3.1304 -0.3488 -0.3404 0.1582 0.1682 4.6900 4.7027 4.9440 4.9976 5.1617 5.1758 5.5678 5.5959 5.6770 5.6944 6.1747 6.2372 6.6752 6.7595 7.3445 7.3978 7.4196 7.4527 7.5432 7.5726 9.0145 9.0243 9.0997 9.1090 9.2223 9.2702 9.2788 9.3262 9.6509 9.6614 9.6846 9.7071 11.4007 11.4081 11.5214 11.5370 13.7616 13.8298 13.8495 13.8797 k = 0.0000 0.7203 0.5901 ( 3110 PWs) bands (ev): -3.3391 -3.3376 -3.1401 -3.1383 -0.3030 -0.2945 0.1262 0.1360 4.7161 4.7286 4.9900 5.0441 5.1181 5.1319 5.5213 5.5691 5.6791 5.7160 6.1353 6.1934 6.7053 6.7951 7.2819 7.3677 7.4079 7.4181 7.5089 7.5297 9.0127 9.0209 9.0986 9.1064 9.2276 9.2675 9.2829 9.3227 9.6474 9.6591 9.6754 9.6966 11.4131 11.4213 11.5139 11.5289 13.7894 13.8507 13.9056 13.9286 k = 0.0000 0.7375 0.5901 ( 3104 PWs) bands (ev): -3.3148 -3.3132 -3.1495 -3.1477 -0.2579 -0.2495 0.0925 0.1021 4.7415 4.7536 5.0367 5.0774 5.0894 5.0928 5.4686 5.5198 5.7082 5.7482 6.0947 6.1485 6.7425 6.8368 7.2149 7.3129 7.4015 7.4057 7.4807 7.4960 9.0115 9.0180 9.0979 9.1040 9.2324 9.2639 9.2876 9.3192 9.6452 9.6578 9.6679 9.6878 11.4251 11.4341 11.5061 11.5205 13.8148 13.8695 13.9601 13.9809 k = 0.0000 0.7546 0.5901 ( 3110 PWs) bands (ev): -3.2924 -3.2910 -3.1599 -3.1582 -0.2141 -0.2057 0.0577 0.0670 4.7659 4.7771 5.0414 5.0528 5.0849 5.1378 5.4154 5.4668 5.7447 5.7843 6.0542 6.1033 6.7863 6.8841 7.1471 7.2494 7.3984 7.4019 7.4581 7.4696 9.0106 9.0155 9.0974 9.1020 9.2369 9.2602 9.2922 9.3157 9.6440 9.6567 9.6623 9.6802 11.4365 11.4462 11.4978 11.5116 13.8384 13.8850 14.0101 14.0341 k = 0.0000 0.7718 0.5901 ( 3112 PWs) bands (ev): -3.2730 -3.2717 -3.1707 -3.1692 -0.1726 -0.1646 0.0230 0.0315 4.7882 4.7975 5.0116 5.0212 5.1323 5.1830 5.3648 5.4143 5.7832 5.8196 6.0167 6.0592 6.8358 6.9362 7.0802 7.1841 7.3981 7.4017 7.4406 7.4493 9.0102 9.0135 9.0973 9.1004 9.2411 9.2565 9.2966 9.3121 9.6440 9.6539 9.6607 9.6740 11.4475 11.4577 11.4893 11.5022 13.8599 13.8953 14.0455 14.0647 k = 0.0000 0.7889 0.5901 ( 3108 PWs) bands (ev): -3.2582 -3.2573 -3.1798 -3.1789 -0.1362 -0.1300 -0.0076 -0.0011 4.8061 4.8118 4.9915 4.9973 5.1789 5.2198 5.3244 5.3647 5.8197 5.8455 5.9902 6.0190 6.8903 6.9894 7.0184 7.1193 7.4003 7.4034 7.4289 7.4345 9.0104 9.0120 9.0976 9.0991 9.2452 9.2529 9.3007 9.3086 9.6451 9.6502 9.6621 9.6689 11.4579 11.4676 11.4815 11.4926 13.8782 13.8980 14.0536 14.0647 k = 0.0000 0.8061 0.5901 ( 3104 PWs) bands (ev): -3.2518 -3.2518 -3.1836 -3.1836 -0.1159 -0.1158 -0.0204 -0.0203 4.8152 4.8153 4.9860 4.9861 5.2178 5.2190 5.3238 5.3249 5.8458 5.8463 5.9903 5.9907 6.9487 6.9507 7.0549 7.0568 7.4033 7.4036 7.4261 7.4265 9.0110 9.0110 9.0982 9.0982 9.2490 9.2491 9.3047 9.3048 9.6472 9.6473 9.6649 9.6651 11.4670 11.4673 11.4830 11.4833 13.8914 13.8924 14.0567 14.0600 k = 0.0000 0.8061 0.5901 ( 3104 PWs) bands (ev): -3.2518 -3.2518 -3.1836 -3.1836 -0.1159 -0.1158 -0.0204 -0.0203 4.8152 4.8153 4.9860 4.9861 5.2178 5.2190 5.3238 5.3249 5.8458 5.8463 5.9903 5.9907 6.9487 6.9507 7.0549 7.0568 7.4033 7.4036 7.4261 7.4265 9.0110 9.0110 9.0982 9.0982 9.2490 9.2491 9.3047 9.3048 9.6472 9.6473 9.6649 9.6651 11.4670 11.4673 11.4830 11.4833 13.8914 13.8924 14.0567 14.0600 k = 0.0000 0.8064 0.5897 ( 3104 PWs) bands (ev): -3.2518 -3.2518 -3.1836 -3.1836 -0.1158 -0.1158 -0.0204 -0.0204 4.8153 4.8153 4.9860 4.9860 5.2184 5.2184 5.3243 5.3243 5.8461 5.8461 5.9905 5.9905 6.9497 6.9497 7.0558 7.0558 7.4034 7.4034 7.4263 7.4263 9.0110 9.0110 9.0982 9.0982 9.2491 9.2491 9.3047 9.3047 9.6472 9.6472 9.6650 9.6650 11.4671 11.4671 11.4832 11.4832 13.8919 13.8919 14.0584 14.0584 k = 0.0000 0.8064 0.5897 ( 3104 PWs) bands (ev): -3.2518 -3.2518 -3.1836 -3.1836 -0.1158 -0.1158 -0.0204 -0.0204 4.8153 4.8153 4.9860 4.9860 5.2184 5.2184 5.3243 5.3243 5.8461 5.8461 5.9905 5.9905 6.9497 6.9497 7.0558 7.0558 7.4034 7.4034 7.4263 7.4263 9.0110 9.0110 9.0982 9.0982 9.2491 9.2491 9.3047 9.3047 9.6472 9.6472 9.6650 9.6650 11.4671 11.4671 11.4832 11.4832 13.8919 13.8919 14.0584 14.0584 k = 0.0172 0.8064 0.5897 ( 3104 PWs) bands (ev): -3.2515 -3.2514 -3.1834 -3.1833 -0.1158 -0.1157 -0.0205 -0.0204 4.8060 4.8081 4.9749 4.9764 5.2134 5.2167 5.3203 5.3237 5.8543 5.8559 5.9978 6.0007 6.9505 6.9566 7.0582 7.0598 7.4046 7.4079 7.4269 7.4286 9.0111 9.0126 9.0986 9.0992 9.2487 9.2496 9.3044 9.3047 9.6472 9.6472 9.6650 9.6650 11.4675 11.4688 11.4836 11.4846 13.8844 13.8944 14.0558 14.0560 k = 0.0345 0.8064 0.5897 ( 3100 PWs) bands (ev): -3.2505 -3.2504 -3.1827 -3.1826 -0.1157 -0.1155 -0.0208 -0.0206 4.7816 4.7855 4.9450 4.9476 5.2017 5.2072 5.3112 5.3170 5.8801 5.8830 6.0222 6.0278 6.9588 6.9709 7.0668 7.0699 7.4112 7.4180 7.4309 7.4342 9.0129 9.0160 9.1004 9.1016 9.2484 9.2503 9.3039 9.3045 9.6471 9.6472 9.6650 9.6651 11.4700 11.4725 11.4860 11.4880 13.8723 13.8914 14.0474 14.0491 k = 0.0517 0.8064 0.5897 ( 3100 PWs) bands (ev): -3.2489 -3.2487 -3.1816 -3.1813 -0.1155 -0.1152 -0.0214 -0.0210 4.7448 4.7502 4.9007 4.9041 5.1828 5.1893 5.2952 5.3021 5.9214 5.9255 6.0624 6.0701 6.9735 6.9915 7.0813 7.0853 7.4228 7.4338 7.4387 7.4432 9.0165 9.0212 9.1035 9.1054 9.2484 9.2512 9.3031 9.3040 9.6468 9.6471 9.6649 9.6652 11.4746 11.4782 11.4904 11.4933 13.8564 13.8831 14.0337 14.0382 k = 0.0690 0.8064 0.5897 ( 3106 PWs) bands (ev): -3.2467 -3.2464 -3.1800 -3.1796 -0.1151 -0.1148 -0.0221 -0.0216 4.6990 4.7054 4.8466 4.8506 5.1563 5.1629 5.2711 5.2782 5.9757 5.9806 6.1159 6.1251 6.9933 7.0170 7.1008 7.1051 7.4378 7.4523 7.4531 7.4581 9.0217 9.0281 9.1078 9.1104 9.2486 9.2522 9.3020 9.3031 9.6467 9.6470 9.6650 9.6653 11.4813 11.4859 11.4970 11.5006 13.8373 13.8701 14.0153 14.0233 k = 0.0862 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.2439 -3.2435 -3.1779 -3.1775 -0.1147 -0.1142 -0.0230 -0.0224 4.6472 4.6543 4.7863 4.7907 5.1224 5.1287 5.2388 5.2456 6.0402 6.0456 6.1801 6.1900 7.0168 7.0455 7.1249 7.1282 7.4541 7.4705 7.4741 7.4847 9.0285 9.0368 9.1132 9.1167 9.2493 9.2535 9.3008 9.3021 9.6465 9.6469 9.6650 9.6655 11.4904 11.4959 11.5059 11.5100 13.8156 13.8529 13.9931 14.0045 k = 0.1034 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.2405 -3.2401 -3.1755 -3.1750 -0.1142 -0.1136 -0.0241 -0.0234 4.5919 4.5994 4.7227 4.7273 5.0819 5.0877 5.1991 5.2052 6.1122 6.1180 6.2521 6.2623 7.0422 7.0751 7.1526 7.1536 7.4726 7.4911 7.5034 7.5181 9.0369 9.0471 9.1194 9.1240 9.2507 9.2553 9.2995 9.3009 9.6463 9.6468 9.6652 9.6657 11.5020 11.5080 11.5175 11.5218 13.7918 13.8324 13.9680 13.9824 k = 0.1207 0.8064 0.5897 ( 3100 PWs) bands (ev): -3.2365 -3.2360 -3.1726 -3.1721 -0.1135 -0.1129 -0.0254 -0.0246 4.5350 4.5427 4.6577 4.6624 5.0359 5.0413 5.1532 5.1587 6.1896 6.1955 6.3295 6.3394 7.0685 7.1045 7.1803 7.1829 7.4951 7.5164 7.5388 7.5569 9.0467 9.0590 9.1263 9.1322 9.2532 9.2578 9.2983 9.2997 9.6461 9.6467 9.6653 9.6659 11.5163 11.5224 11.5321 11.5361 13.7662 13.8092 13.9405 13.9573 k = 0.1379 0.8064 0.5897 ( 3096 PWs) bands (ev): -3.2321 -3.2315 -3.1694 -3.1688 -0.1128 -0.1121 -0.0269 -0.0260 4.4777 4.4856 4.5925 4.5973 4.9857 4.9906 5.1024 5.1072 6.2705 6.2764 6.4100 6.4192 7.0949 7.1331 7.2074 7.2146 7.5225 7.5467 7.5792 7.6003 9.0577 9.0722 9.1332 9.1409 9.2570 9.2610 9.2974 9.2985 9.6458 9.6465 9.6655 9.6662 11.5334 11.5392 11.5499 11.5531 13.7391 13.7838 13.9110 13.9297 k = 0.1552 0.8064 0.5897 ( 3100 PWs) bands (ev): -3.2271 -3.2265 -3.1660 -3.1653 -0.1121 -0.1113 -0.0286 -0.0276 4.4212 4.4291 4.5283 4.5331 4.9322 4.9366 5.0479 5.0520 6.3533 6.3590 6.4918 6.4998 7.1211 7.1610 7.2340 7.2462 7.5551 7.5820 7.6239 7.6477 9.0695 9.0863 9.1397 9.1495 9.2627 9.2653 9.2973 9.2977 9.6455 9.6463 9.6657 9.6665 11.5536 11.5585 11.5711 11.5730 13.7107 13.7566 13.8798 13.8999 k = 0.1724 0.8064 0.5897 ( 3102 PWs) bands (ev): -3.2217 -3.2210 -3.1622 -3.1614 -0.1113 -0.1104 -0.0305 -0.0294 4.3662 4.3741 4.4658 4.4706 4.8765 4.8803 4.9908 4.9942 6.4367 6.4419 6.5730 6.5796 7.1473 7.1888 7.2597 7.2767 7.5932 7.6221 7.6720 7.6981 9.0816 9.1006 9.1456 9.1577 9.2705 9.2705 9.2977 9.2987 9.6452 9.6461 9.6660 9.6669 11.5771 11.5808 11.5959 11.5960 13.6812 13.7280 13.8471 13.8684 k = 0.1897 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.2160 -3.2152 -3.1583 -3.1574 -0.1104 -0.1094 -0.0326 -0.0314 4.3134 4.3213 4.4055 4.4102 4.8194 4.8227 4.9319 4.9348 6.5194 6.5238 6.6522 6.6568 7.1739 7.2171 7.2843 7.3055 7.6364 7.6665 7.7229 7.7511 9.0933 9.1139 9.1507 9.1648 9.2762 9.2801 9.2997 9.3029 9.6449 9.6459 9.6663 9.6672 11.6043 11.6065 11.6224 11.6245 13.6508 13.6981 13.8131 13.8353 k = 0.2069 0.8064 0.5897 ( 3110 PWs) bands (ev): -3.2099 -3.2090 -3.1542 -3.1533 -0.1096 -0.1085 -0.0349 -0.0336 4.2632 4.2710 4.3480 4.3525 4.7616 4.7645 4.8720 4.8745 6.6001 6.6036 6.7279 6.7301 7.2015 7.2465 7.3079 7.3326 7.6841 7.7148 7.7762 7.8062 9.1036 9.1241 9.1558 9.1705 9.2818 9.2898 9.3061 9.3113 9.6446 9.6457 9.6666 9.6677 11.6354 11.6358 11.6527 11.6571 13.6196 13.6671 13.7780 13.8009 k = 0.2241 0.8064 0.5897 ( 3106 PWs) bands (ev): -3.2035 -3.2026 -3.1500 -3.1490 -0.1087 -0.1075 -0.0374 -0.0360 4.2160 4.2238 4.2936 4.2979 4.7037 4.7062 4.8119 4.8139 6.6780 6.6803 6.7981 6.7984 7.2306 7.2776 7.3308 7.3583 7.7359 7.7663 7.8314 7.8629 9.1116 9.1292 9.1616 9.1745 9.2882 9.2984 9.3189 9.3239 9.6444 9.6456 9.6671 9.6682 11.6691 11.6706 11.6868 11.6939 13.5878 13.6354 13.7419 13.7654 k = 0.2414 0.8064 0.5897 ( 3104 PWs) bands (ev): -3.1969 -3.1959 -3.1458 -3.1447 -0.1077 -0.1065 -0.0400 -0.0386 4.1721 4.1798 4.2425 4.2467 4.6464 4.6485 4.7519 4.7536 6.7518 6.7526 6.8598 6.8626 7.2616 7.3104 7.3532 7.3828 7.7911 7.8206 7.8886 7.9211 9.1164 9.1293 9.1668 9.1765 9.2965 9.3082 9.3362 9.3397 9.6442 9.6455 9.6675 9.6686 11.7065 11.7102 11.7251 11.7350 13.5555 13.6029 13.7049 13.7289 k = 0.2586 0.8064 0.5897 ( 3102 PWs) bands (ev): -3.1902 -3.1891 -3.1415 -3.1404 -0.1068 -0.1055 -0.0429 -0.0413 4.1316 4.1393 4.1951 4.1990 4.5901 4.5919 4.6927 4.6941 6.8199 6.8207 6.9145 6.9197 7.2945 7.3447 7.3752 7.4065 7.8493 7.8775 7.9476 7.9808 9.1174 9.1254 9.1691 9.1759 9.3077 9.3213 9.3559 9.3577 9.6441 9.6454 9.6680 9.6692 11.7483 11.7542 11.7677 11.7806 13.5229 13.5699 13.6674 13.6917 k = 0.2759 0.8064 0.5897 ( 3100 PWs) bands (ev): -3.1834 -3.1823 -3.1374 -3.1362 -0.1058 -0.1044 -0.0459 -0.0442 4.0948 4.1024 4.1514 4.1550 4.5353 4.5367 4.6346 4.6358 6.8815 6.8840 6.9622 6.9691 7.3290 7.3798 7.3970 7.4295 7.9102 7.9366 8.0086 8.0420 9.1147 9.1186 9.1677 9.1727 9.3219 9.3378 9.3768 9.3770 9.6440 9.6455 9.6686 9.6697 11.7946 11.8029 11.8148 11.8307 13.4901 13.5365 13.6295 13.6541 k = 0.2931 0.8064 0.5897 ( 3106 PWs) bands (ev): -3.1766 -3.1754 -3.1334 -3.1322 -0.1048 -0.1033 -0.0490 -0.0473 4.0617 4.0692 4.1117 4.1150 4.4823 4.4833 4.5781 4.5791 6.9368 6.9410 7.0032 7.0113 7.3641 7.4146 7.4186 7.4518 7.9735 7.9978 8.0713 8.1046 9.1085 9.1093 9.1623 9.1666 9.3385 9.3568 9.3966 9.3981 9.6441 9.6455 9.6691 9.6702 11.8454 11.8561 11.8664 11.8852 13.4574 13.5028 13.5914 13.6163 k = 0.3103 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.1698 -3.1686 -3.1296 -3.1284 -0.1038 -0.1022 -0.0522 -0.0504 4.0323 4.0399 4.0760 4.0789 4.4316 4.4323 4.5234 4.5243 6.9856 6.9915 7.0384 7.0470 7.3986 7.4400 7.4481 7.4734 8.0388 8.0608 8.1359 8.1685 9.0975 9.0991 9.1533 9.1579 9.3567 9.3773 9.4162 9.4193 9.6443 9.6458 9.6697 9.6706 11.9007 11.9139 11.9225 11.9441 13.4250 13.4691 13.5536 13.5786 k = 0.3276 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.1632 -3.1619 -3.1261 -3.1248 -0.1027 -0.1011 -0.0555 -0.0537 4.0067 4.0143 4.0445 4.0470 4.3835 4.3839 4.4710 4.4718 7.0282 7.0355 7.0685 7.0771 7.4311 7.4609 7.4790 7.4939 8.1059 8.1255 8.2019 8.2335 9.0834 9.0866 9.1412 9.1466 9.3756 9.3983 9.4349 9.4397 9.6448 9.6462 9.6703 9.6710 11.9604 11.9760 11.9830 12.0071 13.3931 13.4354 13.5164 13.5414 k = 0.3448 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.1567 -3.1554 -3.1230 -3.1216 -0.1015 -0.0999 -0.0588 -0.0570 3.9848 3.9925 4.0171 4.0191 4.3384 4.3385 4.4211 4.4218 7.0646 7.0731 7.0944 7.1025 7.4607 7.4811 7.5065 7.5135 8.1742 8.1914 8.2689 8.2993 9.0667 9.0712 9.1261 9.1328 9.3945 9.4189 9.4523 9.4589 9.6455 9.6468 9.6709 9.6714 12.0239 12.0418 12.0476 12.0736 13.3619 13.4019 13.4802 13.5050 k = 0.3621 0.8064 0.5897 ( 3110 PWs) bands (ev): -3.1506 -3.1492 -3.1202 -3.1188 -0.1003 -0.0986 -0.0622 -0.0603 3.9664 3.9742 3.9938 3.9954 4.2965 4.2966 4.3740 4.3746 7.0952 7.1048 7.1168 7.1242 7.4863 7.5007 7.5286 7.5334 8.2431 8.2579 8.3362 8.3652 9.0474 9.0527 9.1081 9.1164 9.4129 9.4385 9.4679 9.4764 9.6466 9.6477 9.6714 9.6715 12.0909 12.1107 12.1160 12.1431 13.3318 13.3685 13.4453 13.4697 k = 0.3793 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.1447 -3.1433 -3.1178 -3.1164 -0.0990 -0.0973 -0.0655 -0.0636 3.9514 3.9593 3.9746 3.9758 4.2583 4.2587 4.3300 4.3306 7.1206 7.1311 7.1362 7.1428 7.5077 7.5192 7.5455 7.5531 8.3119 8.3244 8.4032 8.4305 9.0255 9.0314 9.0871 9.0973 9.4304 9.4567 9.4815 9.4919 9.6481 9.6490 9.6716 9.6719 12.1606 12.1817 12.1876 12.2145 13.3030 13.3351 13.4123 13.4354 k = 0.3966 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.1392 -3.1378 -3.1159 -3.1145 -0.0976 -0.0958 -0.0688 -0.0668 3.9395 3.9475 3.9593 3.9602 4.2243 4.2249 4.2895 4.2901 7.1413 7.1525 7.1529 7.1587 7.5251 7.5360 7.5598 7.5697 8.3799 8.3902 8.4689 8.4944 9.0007 9.0072 9.0633 9.0754 9.4465 9.4732 9.4927 9.5049 9.6500 9.6506 9.6714 9.6721 12.2318 12.2541 12.2611 12.2867 13.2756 13.3017 13.3814 13.4011 k = 0.4138 0.8064 0.5897 ( 3108 PWs) bands (ev): -3.1341 -3.1327 -3.1146 -3.1131 -0.0961 -0.0943 -0.0720 -0.0700 3.9306 3.9383 3.9475 3.9484 4.1952 4.1960 4.2528 4.2534 7.1579 7.1671 7.1693 7.1723 7.5396 7.5501 7.5722 7.5829 8.4462 8.4546 8.5323 8.5558 8.9732 8.9804 9.0364 9.0506 9.4611 9.4878 9.5013 9.5154 9.6523 9.6524 9.6710 9.6721 12.3032 12.3264 12.3348 12.3576 13.2501 13.2679 13.3525 13.3640 k = 0.4310 0.8064 0.5897 ( 3116 PWs) bands (ev): -3.1295 -3.1281 -3.1138 -3.1123 -0.0944 -0.0926 -0.0751 -0.0731 3.9243 3.9316 3.9388 3.9399 4.1716 4.1725 4.2203 4.2209 7.1710 7.1784 7.1817 7.1840 7.5514 7.5612 7.5826 7.5928 8.5101 8.5166 8.5923 8.6135 8.9432 8.9516 9.0066 9.0229 9.4740 9.5003 9.5074 9.5232 9.6546 9.6550 9.6703 9.6718 12.3727 12.3968 12.4063 12.4245 13.2270 13.2338 13.3196 13.3248 k = 0.4483 0.8064 0.5897 ( 3120 PWs) bands (ev): -3.1255 -3.1240 -3.1136 -3.1121 -0.0926 -0.0907 -0.0781 -0.0761 3.9206 3.9271 3.9323 3.9340 4.1540 4.1550 4.1925 4.1932 7.1811 7.1870 7.1908 7.1932 7.5610 7.5691 7.5912 7.5998 8.5705 8.5754 8.6471 8.6651 8.9120 8.9223 8.9740 8.9924 9.4852 9.5107 9.5110 9.5284 9.6570 9.6579 9.6692 9.6711 12.4375 12.4623 12.4720 12.4836 13.2006 13.2075 13.2682 13.2963 k = 0.4655 0.8064 0.5897 ( 3120 PWs) bands (ev): -3.1220 -3.1205 -3.1141 -3.1125 -0.0906 -0.0887 -0.0810 -0.0790 3.9191 3.9248 3.9275 3.9300 4.1431 4.1441 4.1699 4.1706 7.1886 7.1927 7.1975 7.1995 7.5683 7.5742 7.5978 7.6040 8.6263 8.6297 8.6926 8.7057 8.8831 8.8972 8.9395 8.9599 9.4946 9.5121 9.5190 9.5311 9.6595 9.6609 9.6679 9.6700 12.4936 12.5182 12.5267 12.5295 13.1718 13.1946 13.2176 13.2645 k = 0.4828 0.8064 0.5897 ( 3120 PWs) bands (ev): -3.1191 -3.1175 -3.1151 -3.1136 -0.0885 -0.0865 -0.0836 -0.0817 3.9194 3.9239 3.9242 3.9271 4.1393 4.1403 4.1531 4.1539 7.1935 7.1957 7.2018 7.2029 7.5734 7.5764 7.6025 7.6057 8.6749 8.6771 8.7183 8.7247 8.8664 8.8863 8.9048 8.9271 9.5020 9.5109 9.5253 9.5314 9.6619 9.6638 9.6661 9.6684 12.5358 12.5558 12.5581 12.5633 13.1538 13.1770 13.1926 13.2315 k = 0.5000 0.8064 0.5897 ( 3112 PWs) bands (ev): -3.1168 -3.1168 -3.1152 -3.1152 -0.0861 -0.0861 -0.0842 -0.0842 3.9211 3.9211 3.9252 3.9252 4.1428 4.1428 4.1436 4.1436 7.1959 7.1959 7.2037 7.2037 7.5762 7.5762 7.6052 7.6052 8.7102 8.7102 8.7125 8.7125 8.8759 8.8759 8.8990 8.8990 9.5075 9.5075 9.5295 9.5295 9.6642 9.6642 9.6663 9.6663 12.5580 12.5580 12.5746 12.5746 13.1545 13.1545 13.2052 13.2052 k = 0.5000 0.8064 0.5897 ( 3112 PWs) bands (ev): -3.1168 -3.1168 -3.1152 -3.1152 -0.0861 -0.0861 -0.0842 -0.0842 3.9211 3.9211 3.9252 3.9252 4.1428 4.1428 4.1436 4.1436 7.1959 7.1959 7.2037 7.2037 7.5762 7.5762 7.6052 7.6052 8.7102 8.7102 8.7125 8.7125 8.8759 8.8759 8.8990 8.8990 9.5075 9.5075 9.5295 9.5295 9.6642 9.6642 9.6663 9.6663 12.5580 12.5580 12.5746 12.5746 13.1545 13.1545 13.2052 13.2052 k = 0.5000 0.8067 0.5893 ( 3112 PWs) bands (ev): -3.1168 -3.1168 -3.1152 -3.1152 -0.0861 -0.0861 -0.0842 -0.0842 3.9211 3.9211 3.9252 3.9252 4.1427 4.1427 4.1437 4.1437 7.1959 7.1959 7.2036 7.2036 7.5762 7.5762 7.6052 7.6052 8.7102 8.7102 8.7125 8.7125 8.8759 8.8759 8.8990 8.8990 9.5075 9.5075 9.5295 9.5295 9.6642 9.6642 9.6663 9.6663 12.5580 12.5580 12.5746 12.5746 13.1545 13.1545 13.2052 13.2052 k = 0.5000 0.8067 0.5893 ( 3112 PWs) bands (ev): -3.1168 -3.1168 -3.1152 -3.1152 -0.0861 -0.0861 -0.0842 -0.0842 3.9211 3.9211 3.9252 3.9252 4.1427 4.1427 4.1437 4.1437 7.1959 7.1959 7.2036 7.2036 7.5762 7.5762 7.6052 7.6052 8.7102 8.7102 8.7125 8.7125 8.8759 8.8759 8.8990 8.8990 9.5075 9.5075 9.5295 9.5295 9.6642 9.6642 9.6663 9.6663 12.5580 12.5580 12.5746 12.5746 13.1545 13.1545 13.2052 13.2052 k = 0.5000 0.8067 0.5719 ( 3120 PWs) bands (ev): -3.1174 -3.1174 -3.1158 -3.1158 -0.0854 -0.0854 -0.0835 -0.0835 3.9025 3.9025 3.9168 3.9168 4.1533 4.1533 4.1670 4.1670 7.1951 7.1951 7.2031 7.2031 7.5742 7.5742 7.6034 7.6034 8.7068 8.7068 8.7143 8.7143 8.8765 8.8765 8.9006 8.9006 9.5060 9.5060 9.5280 9.5280 9.6639 9.6639 9.6661 9.6661 12.5487 12.5487 12.5669 12.5669 13.1409 13.1409 13.2024 13.2024 k = 0.5000 0.8067 0.5546 ( 3128 PWs) bands (ev): -3.1191 -3.1191 -3.1176 -3.1176 -0.0834 -0.0834 -0.0814 -0.0814 3.8678 3.8678 3.8891 3.8891 4.1913 4.1913 4.2122 4.2122 7.1927 7.1927 7.2014 7.2014 7.5685 7.5685 7.5983 7.5983 8.7015 8.7015 8.7152 8.7152 8.8784 8.8784 8.9049 8.9049 9.5019 9.5019 9.5237 9.5237 9.6632 9.6632 9.6656 9.6656 12.5227 12.5227 12.5443 12.5443 13.1171 13.1171 13.1903 13.1903 k = 0.5000 0.8066 0.5372 ( 3132 PWs) bands (ev): -3.1219 -3.1219 -3.1204 -3.1204 -0.0800 -0.0800 -0.0781 -0.0781 3.8281 3.8281 3.8526 3.8526 4.2448 4.2448 4.2689 4.2689 7.1886 7.1886 7.1984 7.1984 7.5593 7.5593 7.5899 7.5899 8.6954 8.6954 8.7147 8.7147 8.8818 8.8818 8.9114 8.9114 9.4950 9.4950 9.5167 9.5167 9.6621 9.6621 9.6648 9.6648 12.4825 12.4825 12.5067 12.5067 13.0973 13.0973 13.1753 13.1753 k = 0.5000 0.8066 0.5199 ( 3126 PWs) bands (ev): -3.1258 -3.1258 -3.1243 -3.1243 -0.0754 -0.0754 -0.0735 -0.0735 3.7882 3.7882 3.8143 3.8143 4.3069 4.3069 4.3325 4.3325 7.1828 7.1828 7.1941 7.1941 7.5468 7.5468 7.5786 7.5786 8.6890 8.6890 8.7129 8.7129 8.8866 8.8866 8.9192 8.9192 9.4856 9.4856 9.5070 9.5070 9.6609 9.6609 9.6639 9.6639 12.4305 12.4305 12.4559 12.4559 13.0852 13.0852 13.1639 13.1639 k = 0.5000 0.8066 0.5025 ( 3126 PWs) bands (ev): -3.1308 -3.1308 -3.1292 -3.1292 -0.0696 -0.0696 -0.0677 -0.0677 3.7502 3.7502 3.7771 3.7771 4.3746 4.3746 4.4009 4.4009 7.1750 7.1750 7.1880 7.1880 7.5313 7.5313 7.5644 7.5644 8.6826 8.6826 8.7102 8.7102 8.8925 8.8925 8.9276 8.9276 9.4736 9.4736 9.4947 9.4947 9.6595 9.6595 9.6629 9.6629 12.3690 12.3690 12.3943 12.3943 13.0809 13.0809 13.1580 13.1580 k = 0.5000 0.8066 0.4852 ( 3128 PWs) bands (ev): -3.1366 -3.1366 -3.1350 -3.1350 -0.0627 -0.0627 -0.0609 -0.0609 3.7151 3.7151 3.7424 3.7424 4.4464 4.4464 4.4731 4.4731 7.1648 7.1648 7.1798 7.1798 7.5134 7.5134 7.5480 7.5480 8.6765 8.6765 8.7070 8.7070 8.8989 8.8989 8.9362 8.9362 9.4592 9.4592 9.4801 9.4801 9.6580 9.6580 9.6619 9.6619 12.3004 12.3004 12.3250 12.3250 13.0828 13.0828 13.1573 13.1573 k = 0.5000 0.8066 0.4679 ( 3136 PWs) bands (ev): -3.1434 -3.1434 -3.1418 -3.1418 -0.0549 -0.0549 -0.0532 -0.0532 3.6834 3.6834 3.7110 3.7110 4.5215 4.5215 4.5483 4.5483 7.1518 7.1518 7.1690 7.1690 7.4937 7.4937 7.5298 7.5298 8.6710 8.6710 8.7038 8.7038 8.9055 8.9055 8.9444 8.9444 9.4427 9.4427 9.4632 9.4632 9.6565 9.6565 9.6608 9.6608 12.2267 12.2267 12.2502 12.2502 13.0891 13.0891 13.1606 13.1606 k = 0.5000 0.8066 0.4505 ( 3132 PWs) bands (ev): -3.1510 -3.1510 -3.1494 -3.1494 -0.0462 -0.0462 -0.0446 -0.0446 3.6555 3.6555 3.6832 3.6832 4.5994 4.5994 4.6261 4.6261 7.1354 7.1354 7.1551 7.1551 7.4731 7.4731 7.5105 7.5105 8.6663 8.6663 8.7008 8.7008 8.9118 8.9118 8.9521 8.9521 9.4244 9.4244 9.4445 9.4445 9.6551 9.6551 9.6598 9.6598 12.1495 12.1495 12.1721 12.1721 13.0981 13.0981 13.1666 13.1666 k = 0.5000 0.8066 0.4332 ( 3126 PWs) bands (ev): -3.1594 -3.1594 -3.1577 -3.1577 -0.0368 -0.0368 -0.0353 -0.0353 3.6317 3.6317 3.6594 3.6594 4.6796 4.6796 4.7062 4.7062 7.1151 7.1151 7.1373 7.1373 7.4525 7.4525 7.4908 7.4908 8.6624 8.6624 8.6983 8.6983 8.9176 8.9176 8.9588 8.9588 9.4044 9.4044 9.4243 9.4243 9.6537 9.6537 9.6590 9.6590 12.0702 12.0702 12.0919 12.0919 13.1080 13.1080 13.1736 13.1736 k = 0.5000 0.8066 0.4158 ( 3128 PWs) bands (ev): -3.1684 -3.1684 -3.1667 -3.1667 -0.0269 -0.0269 -0.0255 -0.0255 3.6120 3.6120 3.6398 3.6398 4.7619 4.7619 4.7881 4.7881 7.0901 7.0901 7.1149 7.1149 7.4327 7.4327 7.4714 7.4714 8.6594 8.6594 8.6963 8.6963 8.9222 8.9222 8.9641 8.9641 9.3832 9.3832 9.4029 9.4029 9.6523 9.6523 9.6582 9.6582 11.9897 11.9897 12.0109 12.0109 13.1174 13.1174 13.1803 13.1803 k = 0.5000 0.8066 0.3985 ( 3114 PWs) bands (ev): -3.1779 -3.1779 -3.1762 -3.1762 -0.0167 -0.0167 -0.0153 -0.0153 3.5967 3.5967 3.6244 3.6244 4.8459 4.8459 4.8718 4.8718 7.0602 7.0602 7.0874 7.0874 7.4147 7.4147 7.4533 7.4533 8.6574 8.6574 8.6951 8.6951 8.9258 8.9258 8.9681 8.9681 9.3610 9.3610 9.3805 9.3805 9.6511 9.6511 9.6576 9.6576 11.9090 11.9090 11.9299 11.9299 13.1250 13.1250 13.1852 13.1852 k = 0.5000 0.8066 0.3811 ( 3112 PWs) bands (ev): -3.1879 -3.1879 -3.1862 -3.1862 -0.0061 -0.0061 -0.0049 -0.0049 3.5857 3.5857 3.6133 3.6133 4.9313 4.9313 4.9566 4.9566 7.0248 7.0248 7.0546 7.0546 7.3990 7.3990 7.4369 7.4369 8.6562 8.6562 8.6945 8.6945 8.9278 8.9278 8.9704 8.9704 9.3380 9.3380 9.3575 9.3575 9.6499 9.6499 9.6570 9.6570 11.8288 11.8288 11.8495 11.8495 13.1292 13.1292 13.1869 13.1869 k = 0.5000 0.8066 0.3638 ( 3104 PWs) bands (ev): -3.1982 -3.1982 -3.1966 -3.1966 0.0045 0.0045 0.0057 0.0057 3.5791 3.5791 3.6066 3.6066 5.0177 5.0177 5.0424 5.0424 6.9842 6.9842 7.0163 7.0163 7.3860 7.3860 7.4227 7.4227 8.6561 8.6561 8.6947 8.6947 8.9283 8.9283 8.9709 8.9709 9.3144 9.3144 9.3340 9.3340 9.6487 9.6487 9.6565 9.6565 11.7495 11.7495 11.7705 11.7705 13.1290 13.1290 13.1842 13.1842 k = 0.5000 0.8065 0.3465 ( 3104 PWs) bands (ev): -3.2088 -3.2088 -3.2072 -3.2072 0.0151 0.0151 0.0162 0.0162 3.5770 3.5770 3.6043 3.6043 5.1048 5.1048 5.1287 5.1287 6.9384 6.9384 6.9729 6.9729 7.3757 7.3757 7.4107 7.4107 8.6567 8.6567 8.6956 8.6956 8.9271 8.9271 8.9695 8.9695 9.2905 9.2905 9.3103 9.3103 9.6474 9.6474 9.6560 9.6560 11.6717 11.6717 11.6931 11.6931 13.1233 13.1233 13.1760 13.1760 k = 0.5000 0.8065 0.3291 ( 3104 PWs) bands (ev): -3.2196 -3.2196 -3.2180 -3.2180 0.0255 0.0255 0.0265 0.0265 3.5792 3.5792 3.6064 3.6064 5.1922 5.1922 5.2152 5.2152 6.8881 6.8881 6.9250 6.9250 7.3678 7.3678 7.4010 7.4010 8.6582 8.6582 8.6971 8.6971 8.9241 8.9241 8.9662 8.9662 9.2664 9.2664 9.2865 9.2865 9.6462 9.6462 9.6555 9.6555 11.5957 11.5957 11.6177 11.6177 13.1112 13.1112 13.1613 13.1613 k = 0.5000 0.8065 0.3118 ( 3104 PWs) bands (ev): -3.2304 -3.2304 -3.2288 -3.2288 0.0356 0.0356 0.0366 0.0366 3.5857 3.5857 3.6126 3.6126 5.2794 5.2794 5.3013 5.3013 6.8340 6.8340 6.8734 6.8734 7.3623 7.3623 7.3936 7.3936 8.6604 8.6604 8.6991 8.6991 8.9195 8.9195 8.9611 8.9611 9.2422 9.2422 9.2627 9.2627 9.6450 9.6450 9.6551 9.6551 11.5219 11.5219 11.5448 11.5448 13.0923 13.0923 13.1396 13.1396 k = 0.5000 0.8065 0.2944 ( 3108 PWs) bands (ev): -3.2412 -3.2412 -3.2397 -3.2397 0.0454 0.0454 0.0464 0.0464 3.5963 3.5963 3.6230 3.6230 5.3660 5.3660 5.3865 5.3865 6.7768 6.7768 6.8187 6.8187 7.3590 7.3590 7.3882 7.3882 8.6631 8.6631 8.7015 8.7015 8.9132 8.9132 8.9543 8.9543 9.2177 9.2177 9.2389 9.2389 9.6437 9.6437 9.6546 9.6546 11.4506 11.4506 11.4745 11.4745 13.0665 13.0665 13.1110 13.1110 k = 0.5000 0.8065 0.2771 ( 3116 PWs) bands (ev): -3.2519 -3.2519 -3.2504 -3.2504 0.0546 0.0546 0.0556 0.0556 3.6109 3.6109 3.6372 3.6372 5.4512 5.4512 5.4701 5.4701 6.7173 6.7173 6.7619 6.7619 7.3575 7.3575 7.3848 7.3848 8.6664 8.6664 8.7042 8.7042 8.9054 8.9054 8.9460 8.9460 9.1932 9.1932 9.2150 9.2150 9.6425 9.6425 9.6542 9.6542 11.3820 11.3820 11.4071 11.4071 13.0341 13.0341 13.0757 13.0757 k = 0.5000 0.8065 0.2597 ( 3106 PWs) bands (ev): -3.2624 -3.2624 -3.2609 -3.2609 0.0634 0.0634 0.0644 0.0644 3.6292 3.6292 3.6552 3.6552 5.5343 5.5343 5.5513 5.5513 6.6567 6.6567 6.7041 6.7041 7.3580 7.3580 7.3834 7.3834 8.6702 8.6702 8.7071 8.7071 8.8964 8.8964 8.9364 8.9364 9.1685 9.1685 9.1911 9.1911 9.6412 9.6412 9.6539 9.6539 11.3165 11.3165 11.3429 11.3429 12.9958 12.9958 13.0345 13.0345 k = 0.5000 0.8065 0.2424 ( 3110 PWs) bands (ev): -3.2725 -3.2725 -3.2711 -3.2711 0.0715 0.0715 0.0726 0.0726 3.6509 3.6509 3.6766 3.6766 5.6142 5.6142 5.6291 5.6291 6.5961 6.5961 6.6465 6.6465 7.3603 7.3603 7.3837 7.3837 8.6742 8.6742 8.7098 8.7098 8.8862 8.8862 8.9256 8.9256 9.1438 9.1438 9.1669 9.1669 9.6400 9.6400 9.6535 9.6535 11.2542 11.2542 11.2819 11.2819 12.9525 12.9525 12.9883 12.9883 k = 0.5000 0.8065 0.2250 ( 3112 PWs) bands (ev): -3.2823 -3.2823 -3.2810 -3.2810 0.0790 0.0790 0.0802 0.0802 3.6758 3.6758 3.7010 3.7010 5.6895 5.6895 5.7022 5.7022 6.5368 6.5368 6.5904 6.5904 7.3643 7.3643 7.3859 7.3859 8.6782 8.6782 8.7124 8.7124 8.8750 8.8750 8.9139 8.9139 9.1190 9.1190 9.1426 9.1426 9.6387 9.6387 9.6531 9.6531 11.1953 11.1953 11.2245 11.2245 12.9055 12.9055 12.9385 12.9385 k = 0.5000 0.8065 0.2077 ( 3116 PWs) bands (ev): -3.2917 -3.2917 -3.2905 -3.2905 0.0858 0.0858 0.0871 0.0871 3.7034 3.7034 3.7281 3.7281 5.7583 5.7583 5.7690 5.7690 6.4809 6.4809 6.5379 6.5379 7.3701 7.3701 7.3898 7.3898 8.6822 8.6822 8.7143 8.7143 8.8631 8.8631 8.9015 8.9015 9.0944 9.0944 9.1182 9.1182 9.6374 9.6374 9.6528 9.6528 11.1401 11.1401 11.1706 11.1706 12.8560 12.8560 12.8864 12.8864 k = 0.5000 0.8065 0.1904 ( 3124 PWs) bands (ev): -3.3006 -3.3006 -3.2994 -3.2994 0.0920 0.0920 0.0934 0.0934 3.7332 3.7332 3.7573 3.7573 5.8178 5.8178 5.8275 5.8275 6.4310 6.4310 6.4912 6.4912 7.3777 7.3777 7.3954 7.3954 8.6857 8.6857 8.7155 8.7155 8.8507 8.8507 8.8884 8.8884 9.0703 9.0703 9.0938 9.0938 9.6361 9.6361 9.6524 9.6524 11.0886 11.0886 11.1206 11.1206 12.8054 12.8054 12.8333 12.8333 k = 0.5000 0.8065 0.1730 ( 3122 PWs) bands (ev): -3.3089 -3.3089 -3.3078 -3.3078 0.0976 0.0976 0.0991 0.0991 3.7647 3.7647 3.7882 3.7882 5.8644 5.8644 5.8744 5.8744 6.3908 6.3908 6.4535 6.4535 7.3871 7.3871 7.4029 7.4029 8.6886 8.6886 8.7157 8.7157 8.8382 8.8382 8.8750 8.8750 9.0471 9.0471 9.0699 9.0699 9.6348 9.6348 9.6520 9.6520 11.0410 11.0410 11.0746 11.0746 12.7551 12.7551 12.7805 12.7805 k = 0.5000 0.8064 0.1557 ( 3120 PWs) bands (ev): -3.3165 -3.3165 -3.3155 -3.3155 0.1025 0.1025 0.1041 0.1041 3.7972 3.7972 3.8200 3.8200 5.8952 5.8952 5.9056 5.9056 6.3646 6.3646 6.4279 6.4279 7.3982 7.3982 7.4120 7.4120 8.6902 8.6902 8.7146 8.7146 8.8257 8.8257 8.8614 8.8614 9.0252 9.0252 9.0468 9.0468 9.6335 9.6335 9.6517 9.6517 10.9976 10.9976 11.0326 11.0326 12.7061 12.7061 12.7293 12.7293 k = 0.5000 0.8064 0.1383 ( 3122 PWs) bands (ev): -3.3235 -3.3235 -3.3226 -3.3226 0.1068 0.1068 0.1085 0.1085 3.8300 3.8300 3.8521 3.8521 5.9085 5.9085 5.9180 5.9180 6.3557 6.3557 6.4162 6.4162 7.4109 7.4109 7.4226 7.4226 8.6896 8.6896 8.7122 8.7122 8.8135 8.8135 8.8481 8.8481 9.0051 9.0051 9.0251 9.0251 9.6323 9.6323 9.6514 9.6514 10.9583 10.9583 10.9947 10.9947 12.6595 12.6595 12.6808 12.6808 k = 0.5000 0.8064 0.1210 ( 3120 PWs) bands (ev): -3.3298 -3.3298 -3.3290 -3.3290 0.1106 0.1106 0.1123 0.1123 3.8623 3.8623 3.8837 3.8837 5.9049 5.9049 5.9130 5.9130 6.3629 6.3629 6.4177 6.4177 7.4249 7.4249 7.4346 7.4346 8.6859 8.6859 8.7087 8.7087 8.8022 8.8022 8.8356 8.8356 8.9871 8.9871 9.0055 9.0055 9.6312 9.6312 9.6511 9.6511 10.9233 10.9233 10.9610 10.9610 12.6164 12.6164 12.6359 12.6359 k = 0.5000 0.8064 0.1036 ( 3124 PWs) bands (ev): -3.3353 -3.3353 -3.3346 -3.3346 0.1137 0.1137 0.1155 0.1155 3.8932 3.8932 3.9138 3.9138 5.8880 5.8880 5.8968 5.8968 6.3814 6.3814 6.4289 6.4289 7.4396 7.4396 7.4474 7.4474 8.6787 8.6787 8.7039 8.7039 8.7921 8.7921 8.8247 8.8247 8.9714 8.9714 8.9886 8.9886 9.6302 9.6302 9.6509 9.6509 10.8927 10.8927 10.9316 10.9316 12.5775 12.5775 12.5954 12.5954 k = 0.5000 0.8064 0.0863 ( 3124 PWs) bands (ev): -3.3400 -3.3400 -3.3394 -3.3394 0.1163 0.1163 0.1182 0.1182 3.9218 3.9218 3.9417 3.9417 5.8634 5.8634 5.8752 5.8752 6.4049 6.4049 6.4450 6.4450 7.4545 7.4545 7.4605 7.4605 8.6686 8.6686 8.6976 8.6976 8.7839 8.7839 8.8158 8.8158 8.9579 8.9579 8.9748 8.9748 9.6293 9.6293 9.6507 9.6507 10.8667 10.8667 10.9067 10.9067 12.5435 12.5435 12.5601 12.5601 k = 0.5000 0.8064 0.0690 ( 3118 PWs) bands (ev): -3.3438 -3.3438 -3.3433 -3.3433 0.1184 0.1184 0.1203 0.1203 3.9471 3.9471 3.9662 3.9662 5.8373 5.8373 5.8522 5.8522 6.4288 6.4288 6.4621 6.4621 7.4686 7.4686 7.4732 7.4732 8.6572 8.6572 8.6898 8.6898 8.7780 8.7780 8.8091 8.8091 8.9467 8.9467 8.9642 8.9642 9.6285 9.6285 9.6505 9.6505 10.8454 10.8454 10.8862 10.8862 12.5151 12.5151 12.5304 12.5304 k = 0.5000 0.8064 0.0516 ( 3112 PWs) bands (ev): -3.3469 -3.3469 -3.3465 -3.3465 0.1200 0.1200 0.1220 0.1220 3.9680 3.9680 3.9864 3.9864 5.8136 5.8136 5.8312 5.8312 6.4499 6.4499 6.4774 6.4774 7.4811 7.4811 7.4844 7.4844 8.6461 8.6461 8.6813 8.6813 8.7742 8.7742 8.8043 8.8043 8.9378 8.9378 8.9566 8.9566 9.6279 9.6279 9.6503 9.6503 10.8287 10.8287 10.8703 10.8703 12.4925 12.4925 12.5069 12.5069 k = 0.5000 0.8064 0.0343 ( 3118 PWs) bands (ev): -3.3490 -3.3490 -3.3487 -3.3487 0.1211 0.1211 0.1232 0.1232 3.9837 3.9837 4.0016 4.0016 5.7950 5.7950 5.8145 5.8145 6.4662 6.4662 6.4890 6.4890 7.4908 7.4908 7.4933 7.4933 8.6368 8.6368 8.6736 8.6736 8.7721 8.7721 8.8010 8.8010 8.9314 8.9314 8.9515 8.9515 9.6274 9.6274 9.6502 9.6502 10.8167 10.8167 10.8589 10.8589 12.4761 12.4761 12.4898 12.4898 k = 0.5000 0.8064 0.0169 ( 3122 PWs) bands (ev): -3.3503 -3.3503 -3.3501 -3.3501 0.1218 0.1218 0.1238 0.1238 3.9935 3.9935 4.0110 4.0110 5.7832 5.7832 5.8038 5.8038 6.4765 6.4765 6.4961 6.4961 7.4971 7.4971 7.4991 7.4991 8.6307 8.6307 8.6683 8.6683 8.7710 8.7710 8.7991 8.7991 8.9276 8.9276 8.9486 8.9486 9.6271 9.6271 9.6501 9.6501 10.8095 10.8095 10.8519 10.8519 12.4661 12.4661 12.4795 12.4795 k = 0.5000 0.8064-0.0004 ( 3136 PWs) bands (ev): -3.3508 -3.3508 -3.3506 -3.3506 0.1220 0.1220 0.1241 0.1241 3.9968 3.9968 4.0142 4.0142 5.7792 5.7792 5.8001 5.8001 6.4800 6.4800 6.4985 6.4985 7.4992 7.4992 7.5011 7.5011 8.6285 8.6285 8.6663 8.6663 8.7706 8.7706 8.7984 8.7984 8.9263 8.9263 8.9476 8.9476 9.6270 9.6270 9.6500 9.6500 10.8070 10.8070 10.8496 10.8496 12.4628 12.4628 12.4760 12.4760 k = 0.5000 0.8064-0.0004 ( 3136 PWs) bands (ev): -3.3508 -3.3508 -3.3506 -3.3506 0.1220 0.1220 0.1241 0.1241 3.9968 3.9968 4.0142 4.0142 5.7792 5.7792 5.8001 5.8001 6.4800 6.4800 6.4985 6.4985 7.4992 7.4992 7.5011 7.5011 8.6285 8.6285 8.6663 8.6663 8.7706 8.7706 8.7984 8.7984 8.9263 8.9263 8.9476 8.9476 9.6270 9.6270 9.6500 9.6500 10.8070 10.8070 10.8496 10.8496 12.4628 12.4628 12.4760 12.4760 k = 0.4828 0.8064-0.0004 ( 3130 PWs) bands (ev): -3.3531 -3.3530 -3.3492 -3.3490 0.1205 0.1226 0.1258 0.1279 3.9966 3.9982 4.0140 4.0155 5.7744 5.7813 5.7954 5.8024 6.4785 6.4820 6.4971 6.5006 7.4994 7.4997 7.5013 7.5051 8.6174 8.6314 8.6469 8.6718 8.7384 8.7633 8.7849 8.7953 8.9399 8.9474 8.9516 8.9729 9.6264 9.6278 9.6496 9.6505 10.8090 10.8102 10.8516 10.8523 12.4601 12.4655 12.4730 12.4791 k = 0.4655 0.8064-0.0004 ( 3130 PWs) bands (ev): -3.3564 -3.3562 -3.3485 -3.3484 0.1214 0.1234 0.1319 0.1339 3.9976 4.0010 4.0150 4.0180 5.7670 5.7806 5.7883 5.8022 6.4773 6.4844 6.4963 6.5033 7.5000 7.5026 7.5059 7.5113 8.5940 8.6109 8.6214 8.6495 8.7167 8.7192 8.7710 8.7824 8.9725 8.9796 8.9918 9.0092 9.6260 9.6288 9.6493 9.6511 10.8160 10.8184 10.8582 10.8596 12.4573 12.4682 12.4699 12.4820 k = 0.4483 0.8064-0.0004 ( 3130 PWs) bands (ev): -3.3604 -3.3602 -3.3487 -3.3485 0.1245 0.1266 0.1402 0.1422 4.0000 4.0050 4.0172 4.0216 5.7572 5.7773 5.7790 5.7995 6.4764 6.4872 6.4960 6.5065 7.5027 7.5081 7.5126 7.5197 8.5528 8.5571 8.5821 8.5963 8.6961 8.7180 8.7530 8.7798 9.0082 9.0236 9.0337 9.0477 9.6257 9.6298 9.6491 9.6517 10.8279 10.8314 10.8691 10.8713 12.4544 12.4668 12.4707 12.4849 k = 0.4310 0.8064-0.0004 ( 3128 PWs) bands (ev): -3.3652 -3.3650 -3.3497 -3.3495 0.1299 0.1320 0.1507 0.1527 4.0036 4.0102 4.0206 4.0264 5.7452 5.7678 5.7714 5.7945 6.4756 6.4902 6.4959 6.5103 7.5072 7.5158 7.5213 7.5300 8.4902 8.4945 8.5170 8.5309 8.6951 8.7269 8.7475 8.7831 9.0455 9.0655 9.0738 9.0848 9.6256 9.6310 9.6490 9.6524 10.8442 10.8487 10.8841 10.8870 12.4514 12.4634 12.4732 12.4876 k = 0.4138 0.8064-0.0004 ( 3128 PWs) bands (ev): -3.3707 -3.3706 -3.3515 -3.3513 0.1374 0.1395 0.1633 0.1653 4.0086 4.0167 4.0252 4.0323 5.7314 5.7549 5.7633 5.7874 6.4747 6.4933 6.4959 6.5142 7.5132 7.5253 7.5314 7.5419 8.4154 8.4242 8.4418 8.4592 8.7034 8.7392 8.7515 8.7919 9.0811 9.1034 9.1109 9.1190 9.6257 9.6323 9.6489 9.6531 10.8647 10.8699 10.9028 10.9063 12.4480 12.4598 12.4753 12.4900 k = 0.3966 0.8064-0.0004 ( 3136 PWs) bands (ev): -3.3769 -3.3767 -3.3540 -3.3539 0.1470 0.1490 0.1778 0.1797 4.0149 4.0244 4.0311 4.0393 5.7161 5.7406 5.7531 5.7784 6.4736 6.4955 6.4964 6.5182 7.5199 7.5358 7.5424 7.5549 8.3358 8.3464 8.3628 8.3840 8.7162 8.7540 8.7618 8.8052 9.1136 9.1368 9.1449 9.1498 9.6260 9.6336 9.6489 9.6538 10.8886 10.8944 10.9246 10.9288 12.4442 12.4557 12.4771 12.4919 k = 0.3793 0.8064-0.0004 ( 3132 PWs) bands (ev): -3.3837 -3.3835 -3.3573 -3.3571 0.1585 0.1605 0.1941 0.1960 4.0225 4.0334 4.0383 4.0475 5.6996 5.7252 5.7411 5.7678 6.4720 6.4948 6.4993 6.5222 7.5264 7.5462 7.5537 7.5682 8.2541 8.2647 8.2833 8.3075 8.7322 8.7713 8.7766 8.8219 9.1430 9.1660 9.1757 9.1771 9.6264 9.6350 9.6490 9.6545 10.9155 10.9216 10.9492 10.9540 12.4399 12.4512 12.4784 12.4933 k = 0.3621 0.8064-0.0004 ( 3130 PWs) bands (ev): -3.3910 -3.3908 -3.3612 -3.3610 0.1718 0.1738 0.2120 0.2138 4.0315 4.0436 4.0467 4.0568 5.6822 5.7091 5.7278 5.7559 6.4697 6.4932 6.5018 6.5256 7.5312 7.5542 7.5643 7.5804 8.1726 8.1823 8.2054 8.2320 8.7508 8.7908 8.7948 8.8415 9.1693 9.1915 9.2011 9.2032 9.6270 9.6363 9.6491 9.6552 10.9449 10.9511 10.9760 10.9815 12.4349 12.4458 12.4790 12.4939 k = 0.3448 0.8064-0.0004 ( 3132 PWs) bands (ev): -3.3987 -3.3985 -3.3656 -3.3655 0.1867 0.1886 0.2313 0.2331 4.0419 4.0551 4.0564 4.0672 5.6643 5.6925 5.7135 5.7430 6.4665 6.4907 6.5038 6.5285 7.5324 7.5572 7.5726 7.5895 8.0940 8.1027 8.1318 8.1602 8.7717 8.8123 8.8157 8.8635 9.1925 9.2136 9.2219 9.2276 9.6276 9.6377 9.6492 9.6559 10.9762 10.9822 11.0047 11.0106 12.4290 12.4396 12.4787 12.4935 k = 0.3276 0.8064-0.0004 ( 3128 PWs) bands (ev): -3.4067 -3.4066 -3.3706 -3.3704 0.2030 0.2049 0.2518 0.2536 4.0535 4.0674 4.0678 4.0788 5.6462 5.6757 5.6984 5.7294 6.4623 6.4870 6.5051 6.5305 7.5270 7.5517 7.5750 7.5919 8.0227 8.0303 8.0667 8.0956 8.7946 8.8357 8.8389 8.8875 9.2131 9.2327 9.2399 9.2492 9.6285 9.6392 9.6494 9.6567 11.0090 11.0147 11.0347 11.0411 12.4220 12.4321 12.4773 12.4918 k = 0.3103 0.8064-0.0004 ( 3126 PWs) bands (ev): -3.4150 -3.4149 -3.3759 -3.3758 0.2204 0.2223 0.2733 0.2750 4.0666 4.0797 4.0817 4.0914 5.6282 5.6590 5.6829 5.7155 6.4568 6.4820 6.5054 6.5313 7.5118 7.5335 7.5666 7.5823 7.9645 7.9706 8.0146 8.0421 8.8192 8.8607 8.8638 8.9132 9.2313 9.2492 9.2553 9.2683 9.6294 9.6406 9.6497 9.6574 11.0429 11.0480 11.0659 11.0728 12.4137 12.4233 12.4744 12.4885 k = 0.2931 0.8064-0.0004 ( 3114 PWs) bands (ev): -3.4235 -3.4234 -3.3816 -3.3815 0.2389 0.2407 0.2956 0.2973 4.0808 4.0933 4.0967 4.1051 5.6105 5.6427 5.6674 5.7014 6.4499 6.4755 6.5045 6.5308 7.4838 7.4994 7.5422 7.5553 7.9258 7.9295 7.9793 8.0029 8.8452 8.8869 8.8903 8.9401 9.2475 9.2635 9.2686 9.2854 9.6303 9.6421 9.6500 9.6582 11.0778 11.0822 11.0981 11.1053 12.4038 12.4128 12.4697 12.4834 k = 0.2759 0.8064-0.0004 ( 3110 PWs) bands (ev): -3.4320 -3.4319 -3.3875 -3.3874 0.2581 0.2598 0.3185 0.3200 4.0964 4.1081 4.1129 4.1198 5.5934 5.6268 5.6520 5.6876 6.4413 6.4672 6.5021 6.5287 7.4420 7.4495 7.4998 7.5094 7.9083 7.9093 7.9615 7.9795 8.8722 8.9142 8.9178 8.9679 9.2618 9.2757 9.2799 9.3005 9.6314 9.6435 9.6503 9.6589 11.1131 11.1169 11.1309 11.1386 12.3921 12.4004 12.4630 12.4760 k = 0.2586 0.8064-0.0004 ( 3110 PWs) bands (ev): -3.4406 -3.4405 -3.3936 -3.3935 0.2778 0.2794 0.3416 0.3431 4.1130 4.1240 4.1301 4.1355 5.5771 5.6118 5.6371 5.6741 6.4309 6.4570 6.4979 6.5246 7.3873 7.3883 7.4431 7.4495 7.9067 7.9079 7.9583 7.9704 8.9000 8.9420 8.9460 8.9962 9.2745 9.2862 9.2896 9.3140 9.6324 9.6449 9.6506 9.6597 11.1487 11.1523 11.1643 11.1725 12.3783 12.3858 12.4539 12.4660 k = 0.2414 0.8064-0.0004 ( 3112 PWs) bands (ev): -3.4490 -3.4489 -3.3998 -3.3997 0.2977 0.2993 0.3647 0.3661 4.1307 4.1409 4.1483 4.1520 5.5619 5.5977 5.6228 5.6612 6.4183 6.4446 6.4916 6.5181 7.3179 7.3261 7.3780 7.3821 7.9161 7.9188 7.9654 7.9726 8.9282 8.9701 8.9746 9.0247 9.2858 9.2952 9.2982 9.3262 9.6335 9.6464 9.6510 9.6604 11.1843 11.1884 11.1982 11.2070 12.3622 12.3687 12.4419 12.4530 k = 0.2241 0.8064-0.0004 ( 3122 PWs) bands (ev): -3.4573 -3.4572 -3.4059 -3.4058 0.3177 0.3192 0.3876 0.3889 4.1493 4.1588 4.1673 4.1694 5.5480 5.5846 5.6095 5.6491 6.4033 6.4299 6.4827 6.5090 7.2456 7.2597 7.3098 7.3124 7.9328 7.9362 7.9793 7.9827 8.9563 8.9980 9.0033 9.0528 9.2955 9.3029 9.3063 9.3373 9.6346 9.6478 9.6513 9.6611 11.2199 11.2253 11.2327 11.2421 12.3434 12.3488 12.4267 12.4365 k = 0.2069 0.8064-0.0004 ( 3122 PWs) bands (ev): -3.4653 -3.4652 -3.4119 -3.4119 0.3374 0.3388 0.4100 0.4113 4.1685 4.1773 4.1870 4.1874 5.5355 5.5729 5.5973 5.6379 6.3857 6.4125 6.4708 6.4966 7.1741 7.1925 7.2422 7.2438 7.9535 7.9572 7.9973 7.9981 8.9841 9.0253 9.0317 9.0804 9.3033 9.3096 9.3145 9.3474 9.6358 9.6493 9.6517 9.6619 11.2557 11.2630 11.2677 11.2780 12.3217 12.3260 12.4080 12.4164 k = 0.1897 0.8064-0.0004 ( 3134 PWs) bands (ev): -3.4729 -3.4728 -3.4178 -3.4177 0.3566 0.3579 0.4317 0.4329 4.1882 4.1963 4.2060 4.2071 5.5246 5.5624 5.5864 5.6278 6.3654 6.3924 6.4554 6.4806 7.1060 7.1274 7.1775 7.1784 7.9763 7.9800 8.0166 8.0175 9.0111 9.0515 9.0595 9.1068 9.3093 9.3153 9.3234 9.3568 9.6370 9.6508 9.6521 9.6627 11.2917 11.3013 11.3032 11.3147 12.2970 12.3001 12.3855 12.3923 k = 0.1724 0.8064-0.0004 ( 3128 PWs) bands (ev): -3.4802 -3.4801 -3.4234 -3.4234 0.3751 0.3763 0.4524 0.4535 4.2081 4.2154 4.2250 4.2275 5.5155 5.5535 5.5771 5.6190 6.3422 6.3694 6.4359 6.4606 7.0434 7.0669 7.1177 7.1178 7.9999 8.0033 8.0368 8.0388 9.0370 9.0761 9.0863 9.1318 9.3139 9.3203 9.3329 9.3656 9.6383 9.6525 9.6526 9.6636 11.3282 11.3393 11.3404 11.3522 12.2692 12.2709 12.3591 12.3642 k = 0.1552 0.8064-0.0004 ( 3128 PWs) bands (ev): -3.4869 -3.4868 -3.4287 -3.4287 0.3926 0.3937 0.4720 0.4730 4.2278 4.2343 4.2442 4.2478 5.5083 5.5459 5.5694 5.6113 6.3164 6.3437 6.4123 6.4365 6.9880 7.0125 7.0631 7.0638 8.0232 8.0262 8.0576 8.0602 9.0613 9.0988 9.1117 9.1549 9.3177 9.3246 9.3426 9.3738 9.6396 9.6531 9.6541 9.6645 11.3652 11.3762 11.3802 11.3907 12.2382 12.2387 12.3288 12.3321 k = 0.1379 0.8064-0.0004 ( 3128 PWs) bands (ev): -3.4931 -3.4930 -3.4337 -3.4336 0.4089 0.4100 0.4901 0.4910 4.2471 4.2526 4.2634 4.2677 5.5030 5.5398 5.5635 5.6049 6.2885 6.3155 6.3848 6.4083 6.9406 6.9652 7.0150 7.0164 8.0457 8.0483 8.0781 8.0809 9.0837 9.1189 9.1355 9.1759 9.3210 9.3284 9.3527 9.3814 9.6410 9.6535 9.6558 9.6653 11.4027 11.4136 11.4207 11.4299 12.2035 12.2042 12.2948 12.2962 k = 0.1207 0.8064-0.0004 ( 3130 PWs) bands (ev): -3.4987 -3.4987 -3.4382 -3.4381 0.4239 0.4248 0.5066 0.5074 4.2654 4.2699 4.2820 4.2868 5.4997 5.5350 5.5594 5.5996 6.2593 6.2858 6.3543 6.3770 6.9016 6.9254 6.9737 6.9759 8.0666 8.0687 8.0976 8.1003 9.1040 9.1363 9.1573 9.1943 9.3240 9.3317 9.3628 9.3886 9.6424 9.6538 9.6575 9.6661 11.4407 11.4516 11.4619 11.4698 12.1657 12.1675 12.2572 12.2575 k = 0.1034 0.8064-0.0004 ( 3118 PWs) bands (ev): -3.5037 -3.5036 -3.4421 -3.4421 0.4373 0.4381 0.5214 0.5221 4.2824 4.2860 4.2998 4.3047 5.4984 5.5314 5.5573 5.5952 6.2301 6.2553 6.3224 6.3439 6.8707 6.8929 6.9393 6.9421 8.0856 8.0874 8.1156 8.1181 9.1221 9.1508 9.1771 9.2101 9.3269 9.3347 9.3729 9.3952 9.6438 9.6541 9.6592 9.6668 11.4790 11.4899 11.5035 11.5103 12.1261 12.1287 12.2159 12.2179 k = 0.0862 0.8064-0.0004 ( 3118 PWs) bands (ev): -3.5080 -3.5079 -3.4456 -3.4456 0.4489 0.4496 0.5341 0.5347 4.2977 4.3003 4.3161 4.3207 5.4989 5.5286 5.5570 5.5917 6.2021 6.2254 6.2909 6.3107 6.8470 6.8669 6.9115 6.9147 8.1023 8.1037 8.1316 8.1338 9.1376 9.1623 9.1943 9.2229 9.3298 9.3372 9.3824 9.4010 9.6453 9.6542 9.6609 9.6674 11.5171 11.5281 11.5451 11.5507 12.0853 12.0885 12.1735 12.1768 k = 0.0690 0.8064-0.0004 ( 3122 PWs) bands (ev): -3.5115 -3.5115 -3.4485 -3.4484 0.4586 0.4592 0.5448 0.5452 4.3109 4.3127 4.3305 4.3346 5.5009 5.5264 5.5583 5.5885 6.1771 6.1975 6.2619 6.2794 6.8296 6.8464 6.8900 6.8931 8.1163 8.1174 8.1452 8.1470 9.1507 9.1708 9.2090 9.2326 9.3327 9.3393 9.3912 9.4059 9.6467 9.6541 9.6624 9.6678 11.5543 11.5651 11.5859 11.5903 12.0447 12.0480 12.1315 12.1358 k = 0.0517 0.8064-0.0004 ( 3118 PWs) bands (ev): -3.5143 -3.5143 -3.4507 -3.4507 0.4664 0.4668 0.5532 0.5536 4.3216 4.3228 4.3424 4.3458 5.5041 5.5244 5.5612 5.5854 6.1565 6.1730 6.2376 6.2518 6.8176 6.8308 6.8741 6.8768 8.1276 8.1283 8.1561 8.1575 9.1614 9.1766 9.2212 9.2394 9.3356 9.3409 9.3988 9.4097 9.6481 9.6539 9.6639 9.6680 11.5894 11.5994 11.6246 11.6277 12.0061 12.0092 12.0924 12.0972 k = 0.0345 0.8064-0.0004 ( 3116 PWs) bands (ev): -3.5163 -3.5163 -3.4524 -3.4524 0.4720 0.4722 0.5593 0.5596 4.3295 4.3302 4.3515 4.3539 5.5080 5.5221 5.5650 5.5821 6.1417 6.1534 6.2197 6.2298 6.8103 6.8194 6.8634 6.8654 8.1357 8.1362 8.1642 8.1651 9.1697 9.1799 9.2308 9.2431 9.3381 9.3419 9.4049 9.4121 9.6495 9.6534 9.6652 9.6680 11.6200 11.6281 11.6584 11.6603 11.9724 11.9749 12.0595 12.0638 k = 0.0172 0.8064-0.0004 ( 3120 PWs) bands (ev): -3.5175 -3.5175 -3.4534 -3.4534 0.4754 0.4755 0.5630 0.5632 4.3344 4.3347 4.3574 4.3586 5.5121 5.5194 5.5694 5.5783 6.1337 6.1398 6.2096 6.2148 6.8071 6.8117 6.8574 6.8585 8.1407 8.1409 8.1692 8.1696 9.1756 9.1807 9.2377 9.2439 9.3402 9.3421 9.4094 9.4129 9.6507 9.6527 9.6663 9.6677 11.6424 11.6472 11.6830 11.6838 11.9483 11.9496 12.0373 12.0399 k = 0.0000 0.8064-0.0004 ( 3122 PWs) bands (ev): -3.5179 -3.5179 -3.4537 -3.4537 0.4766 0.4766 0.5643 0.5643 4.3361 4.3361 4.3598 4.3598 5.5160 5.5160 5.5740 5.5740 6.1331 6.1331 6.2079 6.2079 6.8076 6.8076 6.8558 6.8558 8.1424 8.1424 8.1710 8.1710 9.1793 9.1793 9.2421 9.2421 9.3416 9.3416 9.4120 9.4120 9.6518 9.6518 9.6671 9.6671 11.6524 11.6524 11.6925 11.6925 11.9396 11.9396 12.0302 12.0302 k = 0.0000 0.8064-0.0004 ( 3122 PWs) bands (ev): -3.5179 -3.5179 -3.4537 -3.4537 0.4766 0.4766 0.5643 0.5643 4.3361 4.3361 4.3598 4.3598 5.5160 5.5160 5.5740 5.5740 6.1331 6.1331 6.2079 6.2079 6.8076 6.8076 6.8558 6.8558 8.1424 8.1424 8.1710 8.1710 9.1793 9.1793 9.2421 9.2421 9.3416 9.3416 9.4120 9.4120 9.6518 9.6518 9.6671 9.6671 11.6524 11.6524 11.6925 11.6925 11.9396 11.9396 12.0302 12.0302 k = 0.0000 0.8064 0.0169 ( 3122 PWs) bands (ev): -3.5175 -3.5174 -3.4532 -3.4532 0.4752 0.4756 0.5630 0.5634 4.3365 4.3370 4.3602 4.3606 5.5110 5.5140 5.5695 5.5719 6.1345 6.1385 6.2092 6.2133 6.8055 6.8092 6.8534 6.8588 8.1405 8.1452 8.1691 8.1740 9.1761 9.1810 9.2403 9.2432 9.3369 9.3412 9.4075 9.4121 9.6512 9.6522 9.6665 9.6671 11.6491 11.6525 11.6895 11.6930 11.9365 11.9429 12.0276 12.0330 k = 0.0000 0.8064 0.0343 ( 3122 PWs) bands (ev): -3.5160 -3.5158 -3.4518 -3.4516 0.4715 0.4723 0.5593 0.5601 4.3383 4.3393 4.3618 4.3627 5.4995 5.5053 5.5589 5.5636 6.1425 6.1502 6.2168 6.2249 6.8029 6.8106 6.8518 6.8624 8.1396 8.1489 8.1685 8.1781 9.1713 9.1813 9.2374 9.2438 9.3274 9.3359 9.3988 9.4078 9.6503 9.6523 9.6654 9.6666 11.6428 11.6492 11.6840 11.6907 11.9341 11.9463 12.0255 12.0358 k = 0.0000 0.8064 0.0516 ( 3114 PWs) bands (ev): -3.5136 -3.5133 -3.4493 -3.4491 0.4655 0.4667 0.5534 0.5545 4.3414 4.3428 4.3647 4.3660 5.4828 5.4911 5.5431 5.5499 6.1557 6.1667 6.2294 6.2413 6.8002 6.8121 6.8511 6.8670 8.1395 8.1533 8.1689 8.1833 9.1645 9.1800 9.2327 9.2438 9.3138 9.3259 9.3862 9.3997 9.6492 9.6522 9.6639 9.6658 11.6338 11.6426 11.6764 11.6857 11.9329 11.9500 12.0242 12.0387 k = 0.0000 0.8064 0.0690 ( 3112 PWs) bands (ev): -3.5102 -3.5098 -3.4459 -3.4455 0.4572 0.4588 0.5452 0.5467 4.3459 4.3475 4.3689 4.3704 5.4625 5.4730 5.5235 5.5322 6.1719 6.1858 6.2453 6.2603 6.7980 6.8143 6.8517 6.8727 8.1402 8.1582 8.1704 8.1891 9.1552 9.1768 9.2249 9.2430 9.2972 9.3119 9.3708 9.3883 9.6480 9.6518 9.6621 9.6647 11.6224 11.6330 11.6667 11.6782 11.9333 11.9542 12.0242 12.0419 k = 0.0000 0.8064 0.0863 ( 3114 PWs) bands (ev): -3.5058 -3.5054 -3.4415 -3.4411 0.4468 0.4487 0.5348 0.5366 4.3517 4.3533 4.3743 4.3760 5.4401 5.4525 5.5015 5.5120 6.1890 6.2054 6.2622 6.2800 6.7969 6.8178 6.8542 6.8800 8.1414 8.1635 8.1727 8.1956 9.1428 9.1712 9.2117 9.2405 9.2792 9.2959 9.3538 9.3747 9.6466 9.6514 9.6601 9.6635 11.6092 11.6209 11.6552 11.6683 11.9360 11.9595 12.0259 12.0459 k = 0.0000 0.8064 0.1036 ( 3114 PWs) bands (ev): -3.5005 -3.5000 -3.4361 -3.4356 0.4342 0.4364 0.5223 0.5244 4.3587 4.3603 4.3809 4.3829 5.4170 5.4311 5.4786 5.4905 6.2048 6.2231 6.2780 6.2980 6.7979 6.8236 6.8591 6.8894 8.1430 8.1687 8.1756 8.2022 9.1266 9.1624 9.1910 9.2329 9.2629 9.2815 9.3369 9.3602 9.6454 9.6509 9.6583 9.6624 11.5946 11.6070 11.6422 11.6564 11.9414 11.9663 12.0298 12.0509 k = 0.0000 0.8064 0.1210 ( 3114 PWs) bands (ev): -3.4944 -3.4938 -3.4299 -3.4293 0.4195 0.4220 0.5078 0.5102 4.3666 4.3685 4.3885 4.3912 5.3945 5.4100 5.4559 5.4690 6.2173 6.2369 6.2908 6.3123 6.8022 6.8322 6.8672 6.9011 8.1444 8.1733 8.1788 8.2087 9.1062 9.1494 9.1632 9.2134 9.2540 9.2707 9.3218 9.3461 9.6442 9.6503 9.6568 9.6614 11.5792 11.5918 11.6280 11.6431 11.9500 11.9754 12.0361 12.0577 k = 0.0000 0.8064 0.1383 ( 3116 PWs) bands (ev): -3.4873 -3.4867 -3.4228 -3.4221 0.4029 0.4057 0.4914 0.4940 4.3751 4.3782 4.3970 4.4009 5.3734 5.3901 5.4343 5.4485 6.2253 6.2454 6.2990 6.3210 6.8107 6.8443 6.8787 6.9154 8.1451 8.1766 8.1820 8.2144 9.0817 9.1297 9.1319 9.1847 9.2506 9.2628 9.3098 9.3334 9.6432 9.6496 9.6557 9.6605 11.5635 11.5762 11.6131 11.6286 11.9622 11.9873 12.0453 12.0666 k = 0.0000 0.8064 0.1557 ( 3116 PWs) bands (ev): -3.4795 -3.4788 -3.4148 -3.4141 0.3845 0.3874 0.4731 0.4759 4.3844 4.3891 4.4063 4.4121 5.3546 5.3722 5.4146 5.4296 6.2278 6.2476 6.3015 6.3232 6.8237 6.8598 6.8938 6.9322 8.1443 8.1780 8.1841 8.2187 9.0538 9.0938 9.1092 9.1521 9.2491 9.2568 9.3014 9.3228 9.6423 9.6488 9.6549 9.6599 11.5479 11.5605 11.5978 11.6136 11.9782 12.0026 12.0578 12.0784 k = 0.0000 0.8065 0.1730 ( 3108 PWs) bands (ev): -3.4709 -3.4701 -3.4061 -3.4054 0.3644 0.3675 0.4532 0.4561 4.3944 4.4012 4.4165 4.4245 5.3384 5.3569 5.3975 5.4132 6.2244 6.2433 6.2977 6.3182 6.8413 6.8787 6.9122 6.9514 8.1411 8.1768 8.1842 8.2208 9.0237 9.0567 9.0835 9.1183 9.2481 9.2523 9.2961 9.3144 9.6416 9.6482 9.6545 9.6595 11.5330 11.5454 11.5827 11.5986 11.9984 12.0217 12.0739 12.0936 k = 0.0000 0.8065 0.1904 ( 3110 PWs) bands (ev): -3.4615 -3.4607 -3.3966 -3.3959 0.3427 0.3459 0.4317 0.4348 4.4051 4.4144 4.4275 4.4383 5.3254 5.3445 5.3834 5.3995 6.2151 6.2325 6.2877 6.3062 6.8625 6.9004 6.9333 6.9723 8.1342 8.1721 8.1808 8.2195 8.9931 9.0203 9.0564 9.0852 9.2468 9.2494 9.2928 9.3079 9.6410 9.6474 9.6544 9.6591 11.5191 11.5311 11.5681 11.5838 12.0230 12.0452 12.0940 12.1128 k = 0.0000 0.8065 0.2077 ( 3105 PWs) bands (ev): -3.4516 -3.4507 -3.3865 -3.3857 0.3196 0.3230 0.4089 0.4121 4.4165 4.4285 4.4397 4.4532 5.3158 5.3352 5.3727 5.3889 6.2002 6.2158 6.2717 6.2881 6.8863 6.9242 6.9561 6.9947 8.1224 8.1629 8.1729 8.2139 8.9640 8.9865 9.0300 9.0545 9.2449 9.2484 9.2910 9.3032 9.6405 9.6467 9.6544 9.6588 11.5066 11.5182 11.5545 11.5697 12.0524 12.0734 12.1186 12.1364 k = 0.0000 0.8065 0.2250 ( 3110 PWs) bands (ev): -3.4410 -3.4401 -3.3758 -3.3750 0.2953 0.2987 0.3849 0.3881 4.4286 4.4433 4.4530 4.4693 5.3097 5.3291 5.3655 5.3817 6.1803 6.1940 6.2504 6.2646 6.9114 6.9492 6.9797 7.0178 8.1046 8.1480 8.1590 8.2028 8.9380 8.9567 9.0063 9.0276 9.2432 9.2479 9.2900 9.2998 9.6402 9.6462 9.6546 9.6588 11.4955 11.5065 11.5419 11.5565 12.0868 12.1067 12.1480 12.1652 k = 0.0000 0.8065 0.2424 ( 3108 PWs) bands (ev): -3.4300 -3.4290 -3.3646 -3.3637 0.2700 0.2734 0.3599 0.3631 4.4416 4.4584 4.4681 4.4865 5.3070 5.3263 5.3621 5.3780 6.1560 6.1677 6.2247 6.2367 6.9366 6.9747 7.0032 7.0412 8.0798 8.1264 8.1384 8.1852 8.9168 8.9323 8.9870 9.0057 9.2420 9.2478 9.2897 9.2976 9.6400 9.6458 9.6549 9.6588 11.4862 11.4964 11.5306 11.5443 12.1264 12.1455 12.1827 12.1995 k = 0.0000 0.8065 0.2597 ( 3112 PWs) bands (ev): -3.4185 -3.4175 -3.3530 -3.3520 0.2439 0.2473 0.3340 0.3372 4.4555 4.4736 4.4849 4.5048 5.3077 5.3266 5.3623 5.3777 6.1279 6.1377 6.1953 6.2054 6.9608 6.9998 7.0261 7.0645 8.0476 8.0973 8.1108 8.1605 8.9012 8.9140 8.9729 8.9893 9.2411 9.2477 9.2898 9.2961 9.6399 9.6456 9.6554 9.6589 11.4784 11.4877 11.5208 11.5334 12.1716 12.1902 12.2232 12.2400 k = 0.0000 0.8065 0.2771 ( 3118 PWs) bands (ev): -3.4066 -3.4056 -3.3410 -3.3400 0.2171 0.2205 0.3076 0.3107 4.4702 4.4891 4.5034 4.5242 5.3115 5.3299 5.3661 5.3807 6.0968 6.1047 6.1630 6.1716 6.9835 7.0239 7.0477 7.0873 8.0080 8.0605 8.0764 8.1285 8.8915 8.9022 8.9646 8.9789 9.2406 9.2476 9.2902 9.2954 9.6400 9.6454 9.6559 9.6591 11.4723 11.4805 11.5123 11.5237 12.2226 12.2409 12.2697 12.2870 k = 0.0000 0.8065 0.2944 ( 3111 PWs) bands (ev): -3.3946 -3.3935 -3.3287 -3.3277 0.1900 0.1932 0.2808 0.2838 4.4859 4.5053 4.5234 4.5447 5.3181 5.3359 5.3731 5.3870 6.0634 6.0692 6.1288 6.1363 7.0039 7.0462 7.0682 7.1094 7.9616 8.0161 8.0360 8.0897 8.8876 8.8965 8.9617 8.9742 9.2404 9.2477 9.2908 9.2951 9.6402 9.6454 9.6565 9.6594 11.4678 11.4748 11.5052 11.5153 12.2796 12.2979 12.3228 12.3410 k = 0.0000 0.8065 0.3118 ( 3104 PWs) bands (ev): -3.3823 -3.3813 -3.3163 -3.3153 0.1627 0.1658 0.2538 0.2567 4.5025 4.5222 4.5448 4.5664 5.3270 5.3442 5.3828 5.3962 6.0284 6.0320 6.0933 6.1003 7.0218 7.0659 7.0873 7.1302 7.9096 7.9651 7.9905 8.0450 8.8885 8.8963 8.9638 8.9746 9.2404 9.2478 9.2916 9.2953 9.6405 9.6455 9.6572 9.6598 11.4645 11.4702 11.4995 11.5081 12.3428 12.3611 12.3830 12.4022 k = 0.0000 0.8065 0.3291 ( 3106 PWs) bands (ev): -3.3700 -3.3690 -3.3038 -3.3028 0.1354 0.1384 0.2269 0.2297 4.5202 4.5400 4.5675 4.5892 5.3373 5.3544 5.3946 5.4079 5.9924 5.9938 6.0573 6.0647 7.0368 7.0825 7.1050 7.1496 7.8530 7.9088 7.9411 7.9954 8.8934 8.9004 8.9697 8.9790 9.2406 9.2479 9.2925 9.2958 9.6408 9.6456 9.6579 9.6602 11.4625 11.4668 11.4949 11.5020 12.4121 12.4305 12.4503 12.4706 k = 0.0000 0.8065 0.3465 ( 3104 PWs) bands (ev): -3.3578 -3.3567 -3.2913 -3.2903 0.1085 0.1113 0.2003 0.2030 4.5390 4.5588 4.5915 4.6132 5.3484 5.3659 5.4077 5.4214 5.9549 5.9567 6.0219 6.0306 7.0488 7.0958 7.1209 7.1672 7.7935 7.8487 7.8889 7.9425 8.9011 8.9077 8.9785 8.9867 9.2409 9.2481 9.2934 9.2964 9.6412 9.6458 9.6586 9.6607 11.4613 11.4644 11.4913 11.4970 12.4878 12.5062 12.5250 12.5465 k = 0.0000 0.8066 0.3638 ( 3100 PWs) bands (ev): -3.3457 -3.3447 -3.2790 -3.2780 0.0820 0.0847 0.1743 0.1768 4.5588 4.5786 4.6168 4.6385 5.3591 5.3779 5.4209 5.4360 5.9171 5.9213 5.9883 5.9989 7.0576 7.1060 7.1346 7.1828 7.7324 7.7861 7.8353 7.8874 8.9108 8.9173 8.9894 8.9966 9.2413 9.2483 9.2944 9.2973 9.6416 9.6460 9.6593 9.6612 11.4609 11.4629 11.4887 11.4929 12.5696 12.5884 12.6069 12.6298 k = 0.0000 0.8066 0.3811 ( 3104 PWs) bands (ev): -3.3339 -3.3329 -3.2670 -3.2661 0.0564 0.0589 0.1490 0.1513 4.5798 4.5994 4.6434 4.6650 5.3683 5.3891 5.4328 5.4505 5.8810 5.8878 5.9580 5.9709 7.0629 7.1130 7.1453 7.1961 7.6714 7.7226 7.7816 7.8315 8.9217 8.9282 9.0016 9.0079 9.2418 9.2485 9.2954 9.2982 9.6420 9.6462 9.6599 9.6616 11.4606 11.4623 11.4866 11.4897 12.6575 12.6770 12.6957 12.7201 k = 0.0000 0.8066 0.3985 ( 3100 PWs) bands (ev): -3.3224 -3.3215 -3.2554 -3.2545 0.0317 0.0340 0.1247 0.1269 4.6017 4.6211 4.6714 4.6927 5.3745 5.3982 5.4420 5.4632 5.8484 5.8576 5.9326 5.9480 7.0648 7.1171 7.1519 7.2067 7.6124 7.6597 7.7290 7.7761 8.9332 8.9396 9.0142 9.0199 9.2423 9.2488 9.2964 9.2992 9.6426 9.6465 9.6606 9.6622 11.4605 11.4627 11.4849 11.4874 12.7512 12.7719 12.7909 12.8172 k = 0.0000 0.8066 0.4158 ( 3098 PWs) bands (ev): -3.3115 -3.3106 -3.2442 -3.2434 0.0083 0.0104 0.1017 0.1036 4.6245 4.6435 4.7005 4.7216 5.3765 5.4036 5.4465 5.4720 5.8211 5.8324 5.9134 5.9313 7.0629 7.1181 7.1536 7.2139 7.5573 7.5991 7.6786 7.7223 8.9447 8.9511 9.0269 9.0320 9.2430 9.2491 9.2974 9.3002 9.6431 9.6468 9.6613 9.6626 11.4605 11.4636 11.4835 11.4860 12.8505 12.8727 12.8921 12.9206 k = 0.0000 0.8066 0.4332 ( 3110 PWs) bands (ev): -3.3012 -3.3004 -3.2338 -3.2329 -0.0136 -0.0117 0.0801 0.0818 4.6480 4.6666 4.7309 4.7517 5.3733 5.4037 5.4449 5.4746 5.8010 5.8141 5.9017 5.9218 7.0571 7.1159 7.1489 7.2166 7.5084 7.5430 7.6317 7.6713 8.9558 8.9620 9.0391 9.0437 9.2435 9.2493 9.2984 9.3012 9.6435 9.6469 9.6618 9.6630 11.4607 11.4646 11.4822 11.4851 12.9549 12.9790 12.9988 13.0297 k = 0.0000 0.8066 0.4505 ( 3116 PWs) bands (ev): -3.2916 -3.2908 -3.2240 -3.2232 -0.0339 -0.0322 0.0602 0.0617 4.6721 4.6900 4.7624 4.7828 5.3642 5.3972 5.4364 5.4693 5.7894 5.8042 5.8978 5.9198 7.0477 7.1106 7.1368 7.2135 7.4679 7.4938 7.5889 7.6241 8.9663 8.9722 9.0505 9.0547 9.2442 9.2495 9.2993 9.3020 9.6440 9.6471 9.6623 9.6634 11.4612 11.4657 11.4813 11.4847 13.0639 13.0901 13.1104 13.1440 k = 0.0000 0.8066 0.4679 ( 3114 PWs) bands (ev): -3.2828 -3.2821 -3.2151 -3.2144 -0.0523 -0.0509 0.0421 0.0434 4.6963 4.7134 4.7949 4.8147 5.3496 5.3837 5.4218 5.4560 5.7863 5.8025 5.9013 5.9246 7.0349 7.1014 7.1178 7.2030 7.4372 7.4547 7.5512 7.5815 8.9760 8.9815 9.0610 9.0647 9.2448 9.2496 9.3002 9.3028 9.6445 9.6473 9.6629 9.6638 11.4619 11.4666 11.4808 11.4845 13.1767 13.2052 13.2262 13.2626 k = 0.0000 0.8066 0.4852 ( 3112 PWs) bands (ev): -3.2750 -3.2744 -3.2071 -3.2065 -0.0686 -0.0674 0.0260 0.0271 4.7203 4.7363 4.8280 4.8471 5.3302 5.3635 5.4031 5.4362 5.7903 5.8074 5.9110 5.9347 7.0194 7.0836 7.0987 7.1843 7.4158 7.4277 7.5186 7.5441 8.9846 8.9896 9.0705 9.0737 9.2456 9.2498 9.3011 9.3036 9.6450 9.6474 9.6633 9.6642 11.4626 11.4674 11.4806 11.4844 13.2924 13.3233 13.3453 13.3848 k = 0.0000 0.8066 0.5025 ( 3114 PWs) bands (ev): -3.2682 -3.2677 -3.2002 -3.1997 -0.0828 -0.0818 0.0122 0.0131 4.7434 4.7580 4.8614 4.8795 5.3073 5.3377 5.3828 5.4126 5.7993 5.8161 5.9252 5.9480 7.0023 7.0549 7.0852 7.1591 7.4022 7.4120 7.4911 7.5122 8.9921 8.9965 9.0785 9.0813 9.2462 9.2499 9.3019 9.3041 9.6454 9.6475 9.6637 9.6644 11.4634 11.4679 11.4807 11.4844 13.4098 13.4431 13.4668 13.5096 k = 0.0000 0.8066 0.5199 ( 3118 PWs) bands (ev): -3.2625 -3.2620 -3.1943 -3.1939 -0.0945 -0.0938 0.0006 0.0013 4.7650 4.7776 4.8944 4.9111 5.2825 5.3085 5.3630 5.3879 5.8109 5.8261 5.9417 5.9623 6.9851 7.0242 7.0733 7.1312 7.3952 7.4047 7.4684 7.4856 8.9984 9.0020 9.0853 9.0875 9.2469 9.2498 9.3026 9.3045 9.6458 9.6475 9.6640 9.6647 11.4642 11.4681 11.4810 11.4843 13.5272 13.5626 13.5898 13.6360 k = 0.0000 0.8066 0.5372 ( 3112 PWs) bands (ev): -3.2579 -3.2576 -3.1897 -3.1894 -0.1038 -0.1032 -0.0085 -0.0080 4.7840 4.7942 4.9259 4.9406 5.2577 5.2787 5.3456 5.3647 5.8229 5.8355 5.9585 5.9754 6.9695 6.9960 7.0631 7.1044 7.3932 7.4025 7.4501 7.4640 9.0035 9.0063 9.0907 9.0923 9.2475 9.2498 9.3033 9.3048 9.6463 9.6475 9.6644 9.6649 11.4650 11.4682 11.4815 11.4842 13.6422 13.6788 13.7129 13.7627 k = 0.0000 0.8067 0.5546 ( 3114 PWs) bands (ev): -3.2546 -3.2544 -3.1864 -3.1862 -0.1105 -0.1101 -0.0150 -0.0148 4.7995 4.8067 4.9539 4.9655 5.2359 5.2511 5.3323 5.3454 5.8336 5.8425 5.9733 5.9853 6.9574 6.9729 7.0560 7.0817 7.3948 7.4034 7.4360 7.4470 9.0073 9.0092 9.0946 9.0957 9.2481 9.2496 9.3038 9.3049 9.6466 9.6475 9.6646 9.6650 11.4658 11.4680 11.4820 11.4840 13.7503 13.7853 13.8348 13.8880 k = 0.0000 0.8067 0.5719 ( 3106 PWs) bands (ev): -3.2525 -3.2524 -3.1843 -3.1842 -0.1145 -0.1144 -0.0190 -0.0189 4.8102 4.8140 4.9754 4.9820 5.2210 5.2297 5.3247 5.3317 5.8417 5.8461 5.9845 5.9906 6.9506 6.9569 7.0535 7.0650 7.3987 7.4051 7.4268 7.4343 9.0098 9.0108 9.0971 9.0977 9.2487 9.2494 9.3043 9.3050 9.6469 9.6474 9.6648 9.6651 11.4665 11.4677 11.4825 11.4837 13.8414 13.8670 13.9534 14.0078 k = 0.0000 0.8067 0.5893 ( 3104 PWs) bands (ev): -3.2518 -3.2518 -3.1836 -3.1836 -0.1159 -0.1158 -0.0204 -0.0203 4.8152 4.8153 4.9860 4.9861 5.2178 5.2190 5.3238 5.3249 5.8458 5.8463 5.9903 5.9907 6.9487 6.9507 7.0549 7.0568 7.4033 7.4036 7.4261 7.4265 9.0110 9.0110 9.0982 9.0982 9.2490 9.2491 9.3047 9.3048 9.6472 9.6473 9.6649 9.6651 11.4670 11.4673 11.4830 11.4833 13.8914 13.8924 14.0567 14.0600 k = 0.5000 0.8061 0.5901 ( 3112 PWs) bands (ev): -3.1168 -3.1168 -3.1152 -3.1152 -0.0861 -0.0861 -0.0842 -0.0842 3.9211 3.9211 3.9252 3.9252 4.1427 4.1427 4.1437 4.1437 7.1959 7.1959 7.2036 7.2036 7.5762 7.5762 7.6052 7.6052 8.7102 8.7102 8.7125 8.7125 8.8759 8.8759 8.8990 8.8990 9.5075 9.5075 9.5295 9.5295 9.6642 9.6642 9.6663 9.6663 12.5580 12.5580 12.5746 12.5746 13.1545 13.1545 13.2052 13.2052 k = 0.5000 0.7889 0.5901 ( 3120 PWs) bands (ev): -3.1176 -3.1176 -3.1161 -3.1161 -0.0885 -0.0885 -0.0865 -0.0865 3.9231 3.9231 3.9273 3.9273 4.1458 4.1458 4.1469 4.1469 7.1960 7.1960 7.2038 7.2038 7.5769 7.5769 7.6060 7.6060 8.7099 8.7099 8.7127 8.7127 8.8757 8.8757 8.8988 8.8988 9.5068 9.5068 9.5293 9.5293 9.6625 9.6625 9.6678 9.6678 12.5554 12.5554 12.5720 12.5720 13.1524 13.1524 13.2029 13.2029 k = 0.5000 0.7718 0.5901 ( 3116 PWs) bands (ev): -3.1200 -3.1200 -3.1184 -3.1184 -0.0952 -0.0952 -0.0932 -0.0932 3.9290 3.9290 3.9337 3.9337 4.1547 4.1547 4.1560 4.1560 7.1962 7.1962 7.2042 7.2042 7.5792 7.5792 7.6085 7.6085 8.7091 8.7091 8.7131 8.7131 8.8754 8.8754 8.8984 8.8984 9.5050 9.5050 9.5287 9.5287 9.6601 9.6601 9.6698 9.6698 12.5480 12.5480 12.5647 12.5647 13.1467 13.1467 13.1964 13.1964 k = 0.5000 0.7546 0.5901 ( 3110 PWs) bands (ev): -3.1239 -3.1239 -3.1223 -3.1223 -0.1062 -0.1062 -0.1042 -0.1042 3.9389 3.9389 3.9442 3.9442 4.1695 4.1695 4.1710 4.1710 7.1966 7.1966 7.2050 7.2050 7.5830 7.5830 7.6125 7.6125 8.7082 8.7082 8.7136 8.7136 8.8749 8.8749 8.8978 8.8978 9.5021 9.5021 9.5278 9.5278 9.6576 9.6576 9.6717 9.6717 12.5362 12.5362 12.5529 12.5529 13.1377 13.1377 13.1863 13.1863 k = 0.5000 0.7375 0.5901 ( 3110 PWs) bands (ev): -3.1293 -3.1293 -3.1277 -3.1277 -0.1215 -0.1215 -0.1195 -0.1195 3.9527 3.9527 3.9588 3.9588 4.1899 4.1899 4.1917 4.1917 7.1972 7.1972 7.2062 7.2062 7.5883 7.5883 7.6182 7.6182 8.7071 8.7071 8.7141 8.7141 8.8741 8.8741 8.8968 8.8968 9.4983 9.4983 9.5264 9.5264 9.6550 9.6550 9.6734 9.6734 12.5203 12.5203 12.5370 12.5370 13.1261 13.1261 13.1737 13.1737 k = 0.5000 0.7203 0.5901 ( 3112 PWs) bands (ev): -3.1362 -3.1362 -3.1346 -3.1346 -0.1407 -0.1407 -0.1387 -0.1387 3.9704 3.9704 3.9771 3.9771 4.2156 4.2156 4.2177 4.2177 7.1982 7.1982 7.2078 7.2078 7.5952 7.5952 7.6255 7.6255 8.7059 8.7059 8.7145 8.7145 8.8730 8.8730 8.8955 8.8955 9.4938 9.4938 9.5243 9.5243 9.6525 9.6525 9.6748 9.6748 12.5010 12.5010 12.5176 12.5176 13.1122 13.1122 13.1588 13.1588 k = 0.5000 0.7032 0.5901 ( 3110 PWs) bands (ev): -3.1445 -3.1445 -3.1429 -3.1429 -0.1637 -0.1637 -0.1616 -0.1616 3.9918 3.9918 3.9993 3.9993 4.2464 4.2464 4.2488 4.2488 7.1997 7.1997 7.2100 7.2100 7.6035 7.6035 7.6344 7.6344 8.7047 8.7047 8.7150 8.7150 8.8715 8.8715 8.8938 8.8938 9.4888 9.4888 9.5218 9.5218 9.6501 9.6501 9.6761 9.6761 12.4790 12.4790 12.4951 12.4951 13.0963 13.0963 13.1422 13.1422 k = 0.5000 0.6860 0.5901 ( 3116 PWs) bands (ev): -3.1542 -3.1542 -3.1526 -3.1526 -0.1902 -0.1902 -0.1881 -0.1881 4.0168 4.0168 4.0250 4.0250 4.2818 4.2818 4.2845 4.2845 7.2017 7.2017 7.2128 7.2128 7.6134 7.6134 7.6448 7.6448 8.7035 8.7035 8.7155 8.7155 8.8696 8.8696 8.8916 8.8916 9.4835 9.4835 9.5188 9.5188 9.6478 9.6478 9.6772 9.6772 12.4546 12.4546 12.4702 12.4702 13.0785 13.0785 13.1239 13.1239 k = 0.5000 0.6689 0.5901 ( 3112 PWs) bands (ev): -3.1652 -3.1652 -3.1636 -3.1636 -0.2199 -0.2199 -0.2177 -0.2177 4.0453 4.0453 4.0541 4.0541 4.3215 4.3215 4.3245 4.3245 7.2045 7.2045 7.2165 7.2165 7.6247 7.6247 7.6567 7.6567 8.7023 8.7023 8.7161 8.7161 8.8673 8.8673 8.8890 8.8890 9.4781 9.4781 9.5155 9.5155 9.6458 9.6458 9.6782 9.6782 12.4284 12.4284 12.4432 12.4432 13.0589 13.0589 13.1040 13.1040 k = 0.5000 0.6517 0.5901 ( 3112 PWs) bands (ev): -3.1775 -3.1775 -3.1758 -3.1758 -0.2524 -0.2524 -0.2502 -0.2502 4.0771 4.0771 4.0865 4.0865 4.3649 4.3649 4.3683 4.3683 7.2083 7.2083 7.2212 7.2212 7.6375 7.6375 7.6702 7.6702 8.7013 8.7013 8.7168 8.7168 8.8645 8.8645 8.8859 8.8859 9.4726 9.4726 9.5119 9.5119 9.6440 9.6440 9.6791 9.6791 12.4007 12.4007 12.4147 12.4147 13.0376 13.0376 13.0827 13.0827 k = 0.5000 0.6346 0.5901 ( 3108 PWs) bands (ev): -3.1908 -3.1908 -3.1892 -3.1892 -0.2875 -0.2875 -0.2853 -0.2853 4.1120 4.1120 4.1220 4.1220 4.4115 4.4115 4.4153 4.4153 7.2132 7.2132 7.2270 7.2270 7.6516 7.6516 7.6850 7.6850 8.7005 8.7005 8.7178 8.7178 8.8612 8.8612 8.8822 8.8822 9.4674 9.4674 9.5083 9.5083 9.6426 9.6426 9.6801 9.6801 12.3720 12.3720 12.3848 12.3848 13.0146 13.0146 13.0598 13.0598 k = 0.5000 0.6174 0.5901 ( 3110 PWs) bands (ev): -3.2053 -3.2053 -3.2037 -3.2037 -0.3249 -0.3249 -0.3226 -0.3226 4.1498 4.1498 4.1603 4.1603 4.4610 4.4610 4.4651 4.4651 7.2195 7.2195 7.2343 7.2343 7.6670 7.6670 7.7010 7.7010 8.7000 8.7000 8.7191 8.7191 8.8573 8.8573 8.8779 8.8779 9.4625 9.4625 9.5048 9.5048 9.6415 9.6415 9.6812 9.6812 12.3423 12.3423 12.3540 12.3540 12.9901 12.9901 13.0357 13.0357 k = 0.5000 0.6003 0.5901 ( 3108 PWs) bands (ev): -3.2208 -3.2208 -3.2191 -3.2191 -0.3641 -0.3641 -0.3618 -0.3618 4.1903 4.1903 4.2012 4.2012 4.5126 4.5126 4.5171 4.5171 7.2272 7.2272 7.2430 7.2430 7.6836 7.6836 7.7183 7.7183 8.6998 8.6998 8.7207 8.7207 8.8528 8.8528 8.8732 8.8732 9.4581 9.4581 9.5017 9.5017 9.6409 9.6409 9.6824 9.6824 12.3119 12.3119 12.3225 12.3225 12.9643 12.9643 13.0103 13.0103 k = 0.5000 0.5831 0.5901 ( 3112 PWs) bands (ev): -3.2371 -3.2371 -3.2355 -3.2355 -0.4049 -0.4049 -0.4026 -0.4026 4.2332 4.2332 4.2444 4.2444 4.5660 4.5660 4.5709 4.5709 7.2366 7.2366 7.2535 7.2535 7.7013 7.7013 7.7367 7.7367 8.7003 8.7003 8.7229 8.7229 8.8477 8.8477 8.8679 8.8679 9.4543 9.4543 9.4989 9.4989 9.6407 9.6407 9.6839 9.6839 12.2810 12.2810 12.2905 12.2905 12.9372 12.9372 12.9839 12.9839 k = 0.5000 0.5660 0.5901 ( 3114 PWs) bands (ev): -3.2543 -3.2543 -3.2526 -3.2526 -0.4470 -0.4470 -0.4447 -0.4447 4.2782 4.2782 4.2897 4.2897 4.6206 4.6206 4.6258 4.6258 7.2479 7.2479 7.2659 7.2659 7.7201 7.7201 7.7561 7.7561 8.7013 8.7013 8.7256 8.7256 8.8419 8.8419 8.8622 8.8622 9.4512 9.4512 9.4969 9.4969 9.6411 9.6411 9.6857 9.6857 12.2496 12.2496 12.2582 12.2582 12.9092 12.9092 12.9566 12.9566 k = 0.5000 0.5488 0.5901 ( 3110 PWs) bands (ev): -3.2721 -3.2721 -3.2705 -3.2705 -0.4902 -0.4902 -0.4878 -0.4878 4.3250 4.3250 4.3368 4.3368 4.6759 4.6759 4.6816 4.6816 7.2610 7.2610 7.2801 7.2801 7.7398 7.7398 7.7764 7.7764 8.7032 8.7032 8.7291 8.7291 8.8354 8.8354 8.8563 8.8563 9.4491 9.4491 9.4957 9.4957 9.6423 9.6423 9.6881 9.6881 12.2179 12.2179 12.2259 12.2259 12.8803 12.8803 12.9285 12.9285 k = 0.5000 0.5317 0.5901 ( 3104 PWs) bands (ev): -3.2905 -3.2905 -3.2889 -3.2889 -0.5340 -0.5340 -0.5317 -0.5317 4.3732 4.3732 4.3851 4.3851 4.7317 4.7317 4.7379 4.7379 7.2759 7.2759 7.2961 7.2961 7.7606 7.7606 7.7976 7.7976 8.7060 8.7060 8.7335 8.7335 8.8283 8.8283 8.8503 8.8503 9.4479 9.4479 9.4955 9.4955 9.6443 9.6443 9.6911 9.6911 12.1859 12.1859 12.1937 12.1937 12.8508 12.8508 12.8999 12.8999 k = 0.5000 0.5145 0.5901 ( 3100 PWs) bands (ev): -3.3095 -3.3095 -3.3079 -3.3079 -0.5783 -0.5783 -0.5760 -0.5760 4.4224 4.4224 4.4344 4.4344 4.7876 4.7876 4.7943 4.7943 7.2926 7.2926 7.3139 7.3139 7.7823 7.7823 7.8197 7.8197 8.7097 8.7097 8.7387 8.7387 8.8206 8.8206 8.8446 8.8446 9.4477 9.4477 9.4964 9.4964 9.6471 9.6471 9.6947 9.6947 12.1537 12.1537 12.1617 12.1617 12.8208 12.8208 12.8709 12.8709 k = 0.5000 0.4974 0.5901 ( 3090 PWs) bands (ev): -3.3288 -3.3288 -3.3272 -3.3272 -0.6229 -0.6229 -0.6206 -0.6206 4.4722 4.4722 4.4842 4.4842 4.8434 4.8434 4.8506 4.8506 7.3107 7.3107 7.3330 7.3330 7.8053 7.8053 7.8427 7.8427 8.7141 8.7141 8.7448 8.7448 8.8123 8.8123 8.8397 8.8397 9.4488 9.4488 9.4985 9.4985 9.6511 9.6511 9.6992 9.6992 12.1214 12.1214 12.1303 12.1303 12.7907 12.7907 12.8418 12.8418 k = 0.5000 0.4802 0.5901 ( 3082 PWs) bands (ev): -3.3485 -3.3485 -3.3469 -3.3469 -0.6675 -0.6675 -0.6652 -0.6652 4.5220 4.5220 4.5339 4.5339 4.8990 4.8990 4.9068 4.9068 7.3298 7.3298 7.3531 7.3531 7.8297 7.8297 7.8670 7.8670 8.7188 8.7188 8.7518 8.7518 8.8037 8.8037 8.8363 8.8363 9.4510 9.4510 9.5018 9.5018 9.6562 9.6562 9.7046 9.7046 12.0893 12.0893 12.0993 12.0993 12.7605 12.7605 12.8127 12.8127 k = 0.5000 0.4631 0.5901 ( 3076 PWs) bands (ev): -3.3683 -3.3683 -3.3667 -3.3667 -0.7119 -0.7119 -0.7096 -0.7096 4.5713 4.5713 4.5831 4.5831 4.9544 4.9544 4.9628 4.9628 7.3492 7.3492 7.3734 7.3734 7.8558 7.8558 7.8928 7.8928 8.7230 8.7230 8.7593 8.7593 8.7955 8.7955 8.8352 8.8352 9.4544 9.4544 9.5065 9.5065 9.6628 9.6628 9.7111 9.7111 12.0575 12.0575 12.0689 12.0689 12.7305 12.7305 12.7838 12.7838 k = 0.5000 0.4459 0.5901 ( 3084 PWs) bands (ev): -3.3883 -3.3883 -3.3867 -3.3867 -0.7559 -0.7559 -0.7537 -0.7537 4.6194 4.6194 4.6310 4.6310 5.0097 5.0097 5.0187 5.0187 7.3683 7.3683 7.3931 7.3931 7.8843 7.8843 7.9205 7.9205 8.7255 8.7255 8.7649 8.7649 8.7904 8.7904 8.8374 8.8374 9.4590 9.4590 9.5123 9.5123 9.6707 9.6707 9.7186 9.7186 12.0264 12.0264 12.0393 12.0393 12.7009 12.7009 12.7553 12.7553 k = 0.5000 0.4288 0.5901 ( 3082 PWs) bands (ev): -3.4083 -3.4083 -3.4067 -3.4067 -0.7993 -0.7993 -0.7972 -0.7972 4.6659 4.6659 4.6770 4.6770 5.0652 5.0652 5.0749 5.0749 7.3860 7.3860 7.4112 7.4112 7.9157 7.9157 7.9508 7.9508 8.7254 8.7254 8.7626 8.7626 8.7950 8.7950 8.8435 8.8435 9.4650 9.4650 9.5195 9.5195 9.6806 9.6806 9.7277 9.7277 11.9961 11.9961 12.0106 12.0106 12.6718 12.6718 12.7273 12.7273 k = 0.5000 0.4116 0.5901 ( 3086 PWs) bands (ev): -3.4282 -3.4282 -3.4267 -3.4267 -0.8421 -0.8421 -0.8400 -0.8400 4.7099 4.7099 4.7207 4.7207 5.1212 5.1212 5.1316 5.1316 7.4015 7.4015 7.4266 7.4266 7.9507 7.9507 7.9842 7.9842 8.7224 8.7224 8.7540 8.7540 8.8080 8.8080 8.8534 8.8534 9.4723 9.4723 9.5279 9.5279 9.6923 9.6923 9.7382 9.7382 11.9669 11.9669 11.9831 11.9831 12.6434 12.6434 12.7000 12.7000 k = 0.5000 0.3945 0.5901 ( 3088 PWs) bands (ev): -3.4480 -3.4480 -3.4465 -3.4465 -0.8839 -0.8839 -0.8819 -0.8819 4.7511 4.7511 4.7613 4.7613 5.1780 5.1780 5.1890 5.1890 7.4137 7.4137 7.4385 7.4385 7.9896 7.9896 8.0214 8.0214 8.7171 8.7171 8.7434 8.7434 8.8250 8.8250 8.8667 8.8667 9.4809 9.4809 9.5373 9.5373 9.7062 9.7062 9.7504 9.7504 11.9391 11.9391 11.9570 11.9570 12.6159 12.6159 12.6736 12.6736 k = 0.5000 0.3773 0.5901 ( 3096 PWs) bands (ev): -3.4675 -3.4675 -3.4661 -3.4661 -0.9248 -0.9248 -0.9228 -0.9228 4.7890 4.7890 4.7986 4.7986 5.2359 5.2359 5.2475 5.2475 7.4219 7.4219 7.4461 7.4461 8.0327 8.0327 8.0626 8.0626 8.7099 8.7099 8.7322 8.7322 8.8445 8.8445 8.8825 8.8825 9.4908 9.4908 9.5477 9.5477 9.7223 9.7223 9.7644 9.7644 11.9130 11.9130 11.9324 11.9324 12.5894 12.5894 12.6482 12.6482 k = 0.5000 0.3602 0.5901 ( 3092 PWs) bands (ev): -3.4867 -3.4867 -3.4853 -3.4853 -0.9646 -0.9646 -0.9626 -0.9626 4.8233 4.8233 4.8323 4.8323 5.2950 5.2950 5.3072 5.3072 7.4256 7.4256 7.4489 7.4489 8.0800 8.0800 8.1081 8.1081 8.7017 8.7017 8.7207 8.7207 8.8656 8.8656 8.9004 8.9004 9.5020 9.5020 9.5589 9.5589 9.7406 9.7406 9.7805 9.7805 11.8888 11.8888 11.9097 11.9097 12.5642 12.5642 12.6240 12.6240 k = 0.5000 0.3430 0.5901 ( 3092 PWs) bands (ev): -3.5055 -3.5055 -3.5041 -3.5041 -1.0031 -1.0031 -1.0012 -1.0012 4.8538 4.8538 4.8621 4.8621 5.3555 5.3555 5.3683 5.3683 7.4245 7.4245 7.4467 7.4467 8.1310 8.1310 8.1575 8.1575 8.6928 8.6928 8.7094 8.7094 8.8878 8.8878 8.9197 8.9197 9.5144 9.5144 9.5709 9.5709 9.7609 9.7609 9.7988 9.7988 11.8668 11.8668 11.8890 11.8890 12.5404 12.5404 12.6013 12.6013 k = 0.5000 0.3259 0.5901 ( 3092 PWs) bands (ev): -3.5239 -3.5239 -3.5225 -3.5225 -1.0403 -1.0403 -1.0385 -1.0385 4.8805 4.8805 4.8882 4.8882 5.4174 5.4174 5.4306 5.4306 7.4185 7.4185 7.4396 7.4396 8.1852 8.1852 8.2105 8.2105 8.6837 8.6837 8.6983 8.6983 8.9104 8.9104 8.9402 8.9402 9.5281 9.5281 9.5836 9.5836 9.7828 9.7828 9.8195 9.8195 11.8473 11.8473 11.8706 11.8706 12.5184 12.5184 12.5802 12.5802 k = 0.5000 0.3087 0.5901 ( 3092 PWs) bands (ev): -3.5417 -3.5417 -3.5404 -3.5404 -1.0760 -1.0760 -1.0743 -1.0743 4.9036 4.9036 4.9107 4.9107 5.4806 5.4806 5.4941 5.4941 7.4079 7.4079 7.4278 7.4278 8.2414 8.2414 8.2660 8.2660 8.6748 8.6748 8.6878 8.6878 8.9329 8.9329 8.9613 8.9613 9.5430 9.5430 9.5971 9.5971 9.8060 9.8060 9.8427 9.8427 11.8303 11.8303 11.8545 11.8545 12.4984 12.4984 12.5611 12.5611 k = 0.5000 0.2916 0.5901 ( 3092 PWs) bands (ev): -3.5589 -3.5589 -3.5576 -3.5576 -1.1102 -1.1102 -1.1086 -1.1086 4.9234 4.9234 4.9298 4.9298 5.5449 5.5449 5.5586 5.5586 7.3928 7.3928 7.4115 7.4115 8.2987 8.2987 8.3232 8.3232 8.6665 8.6665 8.6782 8.6782 8.9549 8.9549 8.9830 8.9830 9.5590 9.5590 9.6114 9.6114 9.8299 9.8299 9.8683 9.8683 11.8160 11.8160 11.8408 11.8408 12.4809 12.4809 12.5444 12.5444 k = 0.5000 0.2744 0.5901 ( 3096 PWs) bands (ev): -3.5754 -3.5754 -3.5742 -3.5742 -1.1429 -1.1429 -1.1413 -1.1413 4.9401 4.9401 4.9459 4.9459 5.6100 5.6100 5.6239 5.6239 7.3737 7.3737 7.3911 7.3911 8.3556 8.3556 8.3805 8.3805 8.6594 8.6594 8.6701 8.6701 8.9760 8.9760 9.0047 9.0047 9.5762 9.5762 9.6266 9.6266 9.8543 9.8543 9.8959 9.8959 11.8042 11.8042 11.8294 11.8294 12.4664 12.4664 12.5305 12.5305 k = 0.5000 0.2573 0.5901 ( 3090 PWs) bands (ev): -3.5912 -3.5912 -3.5901 -3.5901 -1.1738 -1.1738 -1.1723 -1.1723 4.9540 4.9540 4.9593 4.9593 5.6758 5.6758 5.6899 5.6899 7.3508 7.3508 7.3671 7.3671 8.4105 8.4105 8.4358 8.4358 8.6548 8.6548 8.6644 8.6644 8.9962 8.9962 9.0263 9.0263 9.5944 9.5944 9.6430 9.6430 9.8790 9.8790 9.9249 9.9249 11.7949 11.7949 11.8200 11.8200 12.4554 12.4554 12.5199 12.5199 k = 0.5000 0.2401 0.5901 ( 3092 PWs) bands (ev): -3.6062 -3.6062 -3.6052 -3.6052 -1.2030 -1.2030 -1.2016 -1.2016 4.9655 4.9655 4.9703 4.9703 5.7420 5.7420 5.7561 5.7561 7.3245 7.3245 7.3398 7.3398 8.4609 8.4609 8.4858 8.4858 8.6548 8.6548 8.6630 8.6630 9.0152 9.0152 9.0473 9.0473 9.6135 9.6135 9.6604 9.6604 9.9039 9.9039 9.9546 9.9546 11.7875 11.7875 11.8123 11.8123 12.4487 12.4487 12.5132 12.5132 k = 0.5000 0.2230 0.5901 ( 3092 PWs) bands (ev): -3.6205 -3.6205 -3.6195 -3.6195 -1.2305 -1.2305 -1.2292 -1.2292 4.9749 4.9749 4.9791 4.9791 5.8084 5.8084 5.8225 5.8225 7.2950 7.2950 7.3094 7.3094 8.5028 8.5028 8.5251 8.5251 8.6628 8.6628 8.6703 8.6703 9.0333 9.0333 9.0674 9.0674 9.6334 9.6334 9.6791 9.6791 9.9288 9.9288 9.9844 9.9844 11.7815 11.7815 11.8056 11.8056 12.4468 12.4468 12.5110 12.5110 k = 0.5000 0.2058 0.5901 ( 3090 PWs) bands (ev): -3.6338 -3.6338 -3.6329 -3.6329 -1.2561 -1.2561 -1.2548 -1.2548 4.9824 4.9824 4.9862 4.9862 5.8746 5.8746 5.8887 5.8887 7.2628 7.2628 7.2764 7.2764 8.5319 8.5319 8.5482 8.5482 8.6807 8.6807 8.6926 8.6926 9.0503 9.0503 9.0865 9.0865 9.6540 9.6540 9.6988 9.6988 9.9536 9.9536 10.0138 10.0138 11.7761 11.7761 11.7993 11.7993 12.4507 12.4507 12.5140 12.5140 k = 0.5000 0.1887 0.5901 ( 3096 PWs) bands (ev): -3.6462 -3.6462 -3.6454 -3.6454 -1.2798 -1.2798 -1.2786 -1.2786 4.9884 4.9884 4.9918 4.9918 5.9406 5.9406 5.9545 5.9545 7.2281 7.2281 7.2409 7.2409 8.5469 8.5469 8.5571 8.5571 8.7086 8.7086 8.7275 8.7275 9.0665 9.0665 9.1043 9.1043 9.6749 9.6749 9.7192 9.7192 9.9784 9.9784 10.0424 10.0424 11.7707 11.7707 11.7927 11.7927 12.4606 12.4606 12.5224 12.5224 k = 0.5000 0.1715 0.5901 ( 3096 PWs) bands (ev): -3.6577 -3.6577 -3.6569 -3.6569 -1.3015 -1.3015 -1.3005 -1.3005 4.9931 4.9931 4.9961 4.9961 6.0060 6.0060 6.0197 6.0197 7.1911 7.1911 7.2033 7.2033 8.5520 8.5520 8.5582 8.5582 8.7429 8.7429 8.7671 8.7671 9.0820 9.0820 9.1207 9.1207 9.6959 9.6959 9.7401 9.7401 10.0032 10.0032 10.0697 10.0697 11.7646 11.7646 11.7853 11.7853 12.4770 12.4770 12.5365 12.5365 k = 0.5000 0.1544 0.5901 ( 3106 PWs) bands (ev): -3.6682 -3.6682 -3.6674 -3.6674 -1.3213 -1.3213 -1.3204 -1.3204 4.9967 4.9967 4.9993 4.9993 6.0706 6.0706 6.0840 6.0840 7.1522 7.1522 7.1639 7.1639 8.5518 8.5518 8.5558 8.5558 8.7787 8.7787 8.8060 8.8060 9.0967 9.0967 9.1355 9.1355 9.7166 9.7166 9.7607 9.7607 10.0279 10.0279 10.0956 10.0956 11.7572 11.7572 11.7765 11.7765 12.4996 12.4996 12.5560 12.5560 k = 0.5000 0.1372 0.5901 ( 3116 PWs) bands (ev): -3.6776 -3.6776 -3.6770 -3.6770 -1.3391 -1.3391 -1.3383 -1.3383 4.9994 4.9994 5.0017 5.0017 6.1340 6.1340 6.1472 6.1472 7.1117 7.1117 7.1229 7.1229 8.5493 8.5493 8.5521 8.5521 8.8130 8.8130 8.8418 8.8418 9.1106 9.1106 9.1486 9.1486 9.7367 9.7367 9.7804 9.7804 10.0528 10.0528 10.1200 10.1200 11.7485 11.7485 11.7664 11.7664 12.5276 12.5276 12.5803 12.5803 k = 0.5000 0.1201 0.5901 ( 3116 PWs) bands (ev): -3.6860 -3.6860 -3.6855 -3.6855 -1.3549 -1.3549 -1.3541 -1.3541 5.0014 5.0014 5.0034 5.0034 6.1961 6.1961 6.2090 6.2090 7.0700 7.0700 7.0808 7.0808 8.5459 8.5459 8.5480 8.5480 8.8445 8.8445 8.8733 8.8733 9.1241 9.1241 9.1601 9.1601 9.7557 9.7557 9.7984 9.7984 10.0778 10.0778 10.1426 10.1426 11.7385 11.7385 11.7551 11.7551 12.5600 12.5600 12.6081 12.6081 k = 0.5000 0.1029 0.5901 ( 3116 PWs) bands (ev): -3.6933 -3.6933 -3.6929 -3.6929 -1.3686 -1.3686 -1.3679 -1.3679 5.0029 5.0029 5.0046 5.0046 6.2564 6.2564 6.2687 6.2687 7.0274 7.0274 7.0378 7.0378 8.5423 8.5423 8.5439 8.5439 8.8723 8.8723 8.8998 8.8998 9.1368 9.1368 9.1698 9.1698 9.7733 9.7733 9.8142 9.8142 10.1024 10.1024 10.1631 10.1631 11.7279 11.7279 11.7428 11.7428 12.5950 12.5950 12.6380 12.6380 k = 0.5000 0.0858 0.5901 ( 3124 PWs) bands (ev): -3.6996 -3.6996 -3.6992 -3.6992 -1.3802 -1.3802 -1.3797 -1.3797 5.0040 5.0040 5.0054 5.0054 6.3141 6.3141 6.3258 6.3258 6.9848 6.9848 6.9947 6.9947 8.5389 8.5389 8.5401 8.5401 8.8963 8.8963 8.9212 8.9212 9.1485 9.1485 9.1776 9.1776 9.7889 9.7889 9.8273 9.8273 10.1262 10.1262 10.1812 10.1812 11.7172 11.7172 11.7303 11.7303 12.6307 12.6307 12.6678 12.6678 k = 0.5000 0.0686 0.5901 ( 3124 PWs) bands (ev): -3.7047 -3.7047 -3.7043 -3.7043 -1.3897 -1.3897 -1.3893 -1.3893 5.0048 5.0048 5.0059 5.0059 6.3685 6.3685 6.3793 6.3793 6.9431 6.9431 6.9525 6.9525 8.5360 8.5360 8.5369 8.5369 8.9164 8.9164 8.9376 8.9376 9.1592 9.1592 9.1835 9.1835 9.8022 9.8022 9.8377 9.8377 10.1484 10.1484 10.1964 10.1964 11.7072 11.7072 11.7182 11.7182 12.6649 12.6649 12.6956 12.6956 k = 0.5000 0.0515 0.5901 ( 3124 PWs) bands (ev): -3.7087 -3.7087 -3.7084 -3.7084 -1.3971 -1.3971 -1.3968 -1.3968 5.0053 5.0053 5.0062 5.0062 6.4178 6.4178 6.4273 6.4273 6.9042 6.9042 6.9126 6.9126 8.5336 8.5336 8.5343 8.5343 8.9326 8.9326 8.9493 8.9493 9.1687 9.1687 9.1874 9.1874 9.8130 9.8130 9.8453 9.8453 10.1680 10.1680 10.2083 10.2083 11.6987 11.6987 11.7073 11.7073 12.6953 12.6953 12.7192 12.7192 k = 0.5000 0.0343 0.5901 ( 3122 PWs) bands (ev): -3.7115 -3.7115 -3.7113 -3.7113 -1.4024 -1.4024 -1.4022 -1.4022 5.0057 5.0057 5.0063 5.0063 6.4595 6.4595 6.4669 6.4669 6.8710 6.8710 6.8778 6.8778 8.5318 8.5318 8.5324 8.5324 8.9449 8.9449 8.9566 8.9566 9.1766 9.1766 9.1893 9.1893 9.8210 9.8210 9.8504 9.8504 10.1836 10.1836 10.2164 10.2164 11.6925 11.6925 11.6985 11.6985 12.7198 12.7198 12.7366 12.7366 k = 0.5000 0.0172 0.5901 ( 3116 PWs) bands (ev): -3.7132 -3.7132 -3.7131 -3.7131 -1.4055 -1.4055 -1.4054 -1.4054 5.0059 5.0059 5.0063 5.0063 6.4892 6.4892 6.4935 6.4935 6.8482 6.8482 6.8524 6.8524 8.5308 8.5308 8.5312 8.5312 8.9532 8.9532 8.9598 8.9598 9.1827 9.1827 9.1892 9.1892 9.8260 9.8260 9.8533 9.8533 10.1941 10.1941 10.2209 10.2209 11.6892 11.6892 11.6923 11.6923 12.7366 12.7366 12.7465 12.7465 k = 0.5000-0.0000 0.5901 ( 3104 PWs) bands (ev): -3.7138 -3.7138 -3.7137 -3.7137 -1.4066 -1.4066 -1.4065 -1.4065 5.0060 5.0060 5.0063 5.0063 6.5012 6.5012 6.5021 6.5021 6.8404 6.8404 6.8424 6.8424 8.5305 8.5305 8.5308 8.5308 8.9569 8.9569 8.9601 8.9601 9.1863 9.1863 9.1877 9.1877 9.8276 9.8276 9.8542 9.8542 10.1978 10.1978 10.2223 10.2223 11.6891 11.6891 11.6892 11.6892 12.7431 12.7431 12.7492 12.7492 k = 0.5000-0.0000 0.5901 ( 3104 PWs) bands (ev): -3.7138 -3.7138 -3.7137 -3.7137 -1.4066 -1.4066 -1.4065 -1.4065 5.0060 5.0060 5.0063 5.0063 6.5012 6.5012 6.5021 6.5021 6.8404 6.8404 6.8424 6.8424 8.5305 8.5305 8.5308 8.5308 8.9569 8.9569 8.9601 8.9601 9.1863 9.1863 9.1877 9.1877 9.8276 9.8276 9.8542 9.8542 10.1978 10.1978 10.2223 10.2223 11.6891 11.6891 11.6892 11.6892 12.7431 12.7431 12.7492 12.7492 k = 0.5000-0.0000 0.5728 ( 3118 PWs) bands (ev): -3.7157 -3.7157 -3.7155 -3.7155 -1.4031 -1.4031 -1.4029 -1.4029 5.0035 5.0035 5.0045 5.0045 6.5029 6.5029 6.5038 6.5038 6.8409 6.8409 6.8429 6.8429 8.5279 8.5279 8.5302 8.5302 8.9559 8.9559 8.9596 8.9596 9.1840 9.1840 9.1869 9.1869 9.8240 9.8240 9.8504 9.8504 10.1968 10.1968 10.2210 10.2210 11.6911 11.6911 11.6919 11.6919 12.7462 12.7462 12.7523 12.7523 k = 0.5000-0.0000 0.5554 ( 3122 PWs) bands (ev): -3.7213 -3.7213 -3.7209 -3.7209 -1.3927 -1.3927 -1.3923 -1.3923 4.9967 4.9967 4.9986 4.9986 6.5078 6.5078 6.5087 6.5087 6.8427 6.8427 6.8446 6.8446 8.5220 8.5220 8.5266 8.5266 8.9533 8.9533 8.9581 8.9581 9.1782 9.1782 9.1836 9.1836 9.8133 9.8133 9.8393 9.8393 10.1938 10.1938 10.2175 10.2175 11.6977 11.6977 11.6993 11.6993 12.7555 12.7555 12.7617 12.7617 k = 0.5000-0.0000 0.5380 ( 3122 PWs) bands (ev): -3.7304 -3.7304 -3.7299 -3.7299 -1.3754 -1.3754 -1.3749 -1.3749 4.9858 4.9858 4.9885 4.9885 6.5157 6.5157 6.5166 6.5166 6.8457 6.8457 6.8477 6.8477 8.5126 8.5126 8.5196 8.5196 8.9493 8.9493 8.9557 8.9557 9.1694 9.1694 9.1773 9.1773 9.7961 9.7961 9.8215 9.8215 10.1889 10.1889 10.2118 10.2118 11.7086 11.7086 11.7109 11.7109 12.7708 12.7708 12.7772 12.7772 k = 0.5000-0.0000 0.5207 ( 3122 PWs) bands (ev): -3.7428 -3.7428 -3.7423 -3.7423 -1.3515 -1.3515 -1.3508 -1.3508 4.9710 4.9710 4.9746 4.9746 6.5263 6.5263 6.5272 6.5272 6.8499 6.8499 6.8519 6.8519 8.4993 8.4993 8.5087 8.5087 8.9445 8.9445 8.9526 8.9526 9.1578 9.1578 9.1681 9.1681 9.7733 9.7733 9.7980 9.7980 10.1825 10.1825 10.2044 10.2044 11.7231 11.7231 11.7260 11.7260 12.7921 12.7921 12.7986 12.7986 k = 0.5000-0.0000 0.5033 ( 3116 PWs) bands (ev): -3.7584 -3.7584 -3.7576 -3.7576 -1.3213 -1.3213 -1.3204 -1.3204 4.9526 4.9526 4.9571 4.9571 6.5390 6.5390 6.5400 6.5400 6.8552 6.8552 6.8573 6.8573 8.4816 8.4816 8.4935 8.4935 8.9392 8.9392 8.9495 8.9495 9.1433 9.1433 9.1561 9.1561 9.7462 9.7462 9.7699 9.7699 10.1748 10.1748 10.1954 10.1954 11.7405 11.7405 11.7439 11.7439 12.8189 12.8189 12.8257 12.8257 k = 0.5000-0.0000 0.4860 ( 3112 PWs) bands (ev): -3.7766 -3.7766 -3.7758 -3.7758 -1.2851 -1.2851 -1.2842 -1.2842 4.9310 4.9310 4.9362 4.9362 6.5534 6.5534 6.5545 6.5545 6.8618 6.8618 6.8640 6.8640 8.4590 8.4590 8.4734 8.4734 8.9341 8.9341 8.9467 8.9467 9.1263 9.1263 9.1414 9.1414 9.7161 9.7161 9.7385 9.7385 10.1660 10.1660 10.1853 10.1853 11.7601 11.7601 11.7639 11.7639 12.8510 12.8510 12.8582 12.8582 k = 0.5000-0.0000 0.4686 ( 3112 PWs) bands (ev): -3.7973 -3.7973 -3.7963 -3.7963 -1.2435 -1.2435 -1.2424 -1.2424 4.9065 4.9065 4.9124 4.9124 6.5688 6.5688 6.5700 6.5700 6.8694 6.8694 6.8717 6.8717 8.4311 8.4311 8.4480 8.4480 8.9294 8.9294 8.9449 8.9449 9.1066 9.1066 9.1243 9.1243 9.6841 9.6841 9.7053 9.7053 10.1563 10.1563 10.1744 10.1744 11.7811 11.7811 11.7851 11.7851 12.8881 12.8881 12.8956 12.8956 k = 0.5000-0.0000 0.4513 ( 3108 PWs) bands (ev): -3.8199 -3.8199 -3.8189 -3.8189 -1.1967 -1.1967 -1.1955 -1.1955 4.8794 4.8794 4.8860 4.8860 6.5845 6.5845 6.5857 6.5857 6.8782 6.8782 6.8806 6.8806 8.3979 8.3979 8.4170 8.4170 8.9256 8.9256 8.9444 8.9444 9.0848 9.0848 9.1055 9.1055 9.6516 9.6516 9.6713 9.6713 10.1462 10.1462 10.1630 10.1630 11.8027 11.8027 11.8070 11.8070 12.9296 12.9296 12.9377 12.9377 k = 0.5000-0.0000 0.4339 ( 3104 PWs) bands (ev): -3.8443 -3.8443 -3.8432 -3.8432 -1.1453 -1.1453 -1.1441 -1.1441 4.8500 4.8500 4.8573 4.8573 6.5997 6.5997 6.6010 6.6010 6.8880 6.8880 6.8905 6.8905 8.3595 8.3595 8.3807 8.3807 8.9226 8.9226 8.9455 8.9455 9.0612 9.0612 9.0855 9.0855 9.6195 9.6195 9.6378 9.6378 10.1357 10.1357 10.1512 10.1512 11.8246 11.8246 11.8290 11.8290 12.9753 12.9753 12.9839 12.9839 k = 0.5000-0.0000 0.4165 ( 3104 PWs) bands (ev): -3.8699 -3.8699 -3.8688 -3.8688 -1.0898 -1.0898 -1.0885 -1.0885 4.8188 4.8188 4.8266 4.8266 6.6135 6.6135 6.6150 6.6150 6.8989 6.8989 6.9016 6.9016 8.3165 8.3165 8.3395 8.3395 8.9193 8.9193 8.9474 8.9474 9.0367 9.0367 9.0658 9.0658 9.5886 9.5886 9.6053 9.6053 10.1250 10.1250 10.1394 10.1394 11.8461 11.8461 11.8506 11.8506 13.0246 13.0246 13.0339 13.0339 k = 0.5000-0.0000 0.3992 ( 3098 PWs) bands (ev): -3.8965 -3.8965 -3.8954 -3.8954 -1.0306 -1.0306 -1.0293 -1.0293 4.7859 4.7859 4.7943 4.7943 6.6252 6.6252 6.6269 6.6269 6.9108 6.9108 6.9136 6.9136 8.2700 8.2700 8.2943 8.2943 8.9142 8.9142 8.9480 8.9480 9.0139 9.0139 9.0484 9.0484 9.5593 9.5593 9.5747 9.5747 10.1143 10.1143 10.1277 10.1277 11.8671 11.8671 11.8715 11.8715 13.0771 13.0771 13.0871 13.0871 k = 0.5000-0.0000 0.3818 ( 3094 PWs) bands (ev): -3.9238 -3.9238 -3.9226 -3.9226 -0.9683 -0.9683 -0.9669 -0.9669 4.7518 4.7518 4.7605 4.7605 6.6339 6.6339 6.6357 6.6357 6.9236 6.9236 6.9266 6.9266 8.2212 8.2212 8.2465 8.2465 8.9047 8.9047 8.9406 8.9406 8.9997 8.9997 9.0361 9.0361 9.5321 9.5321 9.5461 9.5461 10.1039 10.1039 10.1162 10.1162 11.8872 11.8872 11.8916 11.8916 13.1323 13.1323 13.1433 13.1433 k = 0.5000-0.0000 0.3645 ( 3096 PWs) bands (ev): -3.9514 -3.9514 -3.9502 -3.9502 -0.9031 -0.9031 -0.9017 -0.9017 4.7165 4.7165 4.7256 4.7256 6.6387 6.6387 6.6407 6.6407 6.9374 6.9374 6.9405 6.9405 8.1714 8.1714 8.1973 8.1973 8.8885 8.8885 8.9195 8.9195 8.9998 8.9998 9.0313 9.0313 9.5069 9.5069 9.5199 9.5199 10.0936 10.0936 10.1051 10.1051 11.9062 11.9062 11.9106 11.9106 13.1897 13.1897 13.2017 13.2017 k = 0.5000-0.0000 0.3471 ( 3094 PWs) bands (ev): -3.9791 -3.9791 -3.9779 -3.9779 -0.8358 -0.8358 -0.8344 -0.8344 4.6804 4.6804 4.6899 4.6899 6.6389 6.6389 6.6410 6.6410 6.9520 6.9520 6.9553 6.9553 8.1222 8.1222 8.1485 8.1485 8.8655 8.8655 8.8899 8.8899 9.0090 9.0090 9.0341 9.0341 9.4840 9.4840 9.4962 9.4962 10.0838 10.0838 10.0944 10.0944 11.9241 11.9241 11.9285 11.9285 13.2488 13.2488 13.2621 13.2621 k = 0.5000-0.0000 0.3298 ( 3094 PWs) bands (ev): -4.0066 -4.0066 -4.0054 -4.0054 -0.7666 -0.7666 -0.7652 -0.7652 4.6436 4.6436 4.6533 4.6533 6.6339 6.6339 6.6359 6.6359 6.9675 6.9675 6.9708 6.9708 8.0751 8.0751 8.1013 8.1013 8.8372 8.8372 8.8566 8.8566 9.0226 9.0226 9.0432 9.0432 9.4631 9.4631 9.4750 9.4750 10.0743 10.0743 10.0842 10.0842 11.9409 11.9409 11.9453 11.9453 13.3092 13.3092 13.3240 13.3240 k = 0.5000-0.0000 0.3124 ( 3102 PWs) bands (ev): -4.0338 -4.0338 -4.0326 -4.0326 -0.6961 -0.6961 -0.6948 -0.6948 4.6063 4.6063 4.6163 4.6163 6.6230 6.6230 6.6249 6.6249 6.9837 6.9837 6.9871 6.9871 8.0314 8.0314 8.0571 8.0571 8.8052 8.8052 8.8213 8.8213 9.0386 9.0386 9.0565 9.0565 9.4442 9.4442 9.4563 9.4563 10.0654 10.0654 10.0745 10.0745 11.9566 11.9566 11.9609 11.9609 13.3702 13.3702 13.3868 13.3868 k = 0.5000-0.0000 0.2951 ( 3112 PWs) bands (ev): -4.0603 -4.0603 -4.0592 -4.0592 -0.6248 -0.6248 -0.6235 -0.6235 4.5687 4.5687 4.5788 4.5788 6.6060 6.6060 6.6078 6.6078 7.0007 7.0007 7.0041 7.0041 7.9920 7.9920 8.0170 8.0170 8.7710 8.7710 8.7848 8.7848 9.0562 9.0562 9.0728 9.0728 9.4274 9.4274 9.4401 9.4401 10.0569 10.0569 10.0653 10.0653 11.9712 11.9712 11.9754 11.9754 13.4313 13.4313 13.4502 13.4502 k = 0.5000-0.0000 0.2777 ( 3108 PWs) bands (ev): -4.0861 -4.0861 -4.0850 -4.0850 -0.5531 -0.5531 -0.5518 -0.5518 4.5310 4.5310 4.5412 4.5412 6.5830 6.5830 6.5846 6.5846 7.0183 7.0183 7.0217 7.0217 7.9578 7.9578 7.9817 7.9817 8.7354 8.7354 8.7477 8.7477 9.0748 9.0748 9.0911 9.0911 9.4129 9.4129 9.4266 9.4266 10.0490 10.0490 10.0568 10.0568 11.9848 11.9848 11.9890 11.9890 13.4918 13.4918 13.5136 13.5136 k = 0.5000-0.0000 0.2603 ( 3104 PWs) bands (ev): -4.1110 -4.1110 -4.1099 -4.1099 -0.4815 -0.4815 -0.4803 -0.4803 4.4934 4.4934 4.5036 4.5036 6.5543 6.5543 6.5558 6.5558 7.0364 7.0364 7.0398 7.0398 7.9289 7.9289 7.9515 7.9515 8.6991 8.6991 8.7104 8.7104 9.0938 9.0938 9.1105 9.1105 9.4007 9.4007 9.4156 9.4156 10.0416 10.0416 10.0489 10.0489 11.9974 11.9974 12.0015 12.0015 13.5509 13.5509 13.5766 13.5766 k = 0.5000-0.0000 0.2430 ( 3102 PWs) bands (ev): -4.1348 -4.1348 -4.1338 -4.1338 -0.4105 -0.4105 -0.4093 -0.4093 4.4560 4.4560 4.4661 4.4661 6.5206 6.5206 6.5222 6.5222 7.0550 7.0550 7.0583 7.0583 7.9055 7.9055 7.9266 7.9266 8.6626 8.6626 8.6731 8.6731 9.1125 9.1125 9.1299 9.1299 9.3910 9.3910 9.4074 9.4074 10.0348 10.0348 10.0415 10.0415 12.0091 12.0091 12.0132 12.0132 13.6076 13.6076 13.6385 13.6385 k = 0.5000-0.0000 0.2256 ( 3106 PWs) bands (ev): -4.1574 -4.1574 -4.1564 -4.1564 -0.3406 -0.3406 -0.3396 -0.3396 4.4190 4.4190 4.4290 4.4290 6.4828 6.4828 6.4847 6.4847 7.0738 7.0738 7.0770 7.0770 7.8871 7.8871 7.9066 7.9066 8.6263 8.6263 8.6361 8.6361 9.1303 9.1303 9.1485 9.1485 9.3842 9.3842 9.4020 9.4020 10.0285 10.0285 10.0347 10.0347 12.0200 12.0200 12.0241 12.0241 13.6604 13.6604 13.6989 13.6989 k = 0.5000-0.0000 0.2083 ( 3104 PWs) bands (ev): -4.1787 -4.1787 -4.1778 -4.1778 -0.2725 -0.2725 -0.2715 -0.2715 4.3827 4.3827 4.3924 4.3924 6.4421 6.4421 6.4444 6.4444 7.0926 7.0926 7.0958 7.0958 7.8733 7.8733 7.8910 7.8910 8.5905 8.5905 8.5997 8.5997 9.1465 9.1465 9.1655 9.1655 9.3809 9.3809 9.3999 9.3999 10.0228 10.0228 10.0285 10.0285 12.0302 12.0302 12.0341 12.0341 13.7068 13.7068 13.7570 13.7570 k = 0.5000-0.0000 0.1909 ( 3108 PWs) bands (ev): -4.1986 -4.1986 -4.1978 -4.1978 -0.2066 -0.2066 -0.2057 -0.2057 4.3473 4.3473 4.3566 4.3566 6.3998 6.3998 6.4024 6.4024 7.1115 7.1115 7.1145 7.1145 7.8633 7.8633 7.8794 7.8794 8.5557 8.5557 8.5644 8.5644 9.1605 9.1605 9.1799 9.1799 9.3812 9.3812 9.4010 9.4010 10.0176 10.0176 10.0229 10.0229 12.0397 12.0397 12.0435 12.0435 13.7426 13.7426 13.8108 13.8108 k = 0.5000-0.0000 0.1736 ( 3108 PWs) bands (ev): -4.2170 -4.2170 -4.2162 -4.2162 -0.1435 -0.1435 -0.1427 -0.1427 4.3131 4.3131 4.3220 4.3220 6.3570 6.3570 6.3600 6.3600 7.1300 7.1300 7.1329 7.1329 7.8566 7.8566 7.8710 7.8710 8.5221 8.5221 8.5304 8.5304 9.1719 9.1719 9.1911 9.1911 9.3855 9.3855 9.4053 9.4053 10.0129 10.0129 10.0177 10.0177 12.0485 12.0485 12.0521 12.0521 13.7624 13.7624 13.8480 13.8480 k = 0.5000-0.0000 0.1562 ( 3104 PWs) bands (ev): -4.2339 -4.2339 -4.2332 -4.2332 -0.0839 -0.0839 -0.0832 -0.0832 4.2805 4.2805 4.2889 4.2889 6.3151 6.3151 6.3183 6.3183 7.1480 7.1480 7.1508 7.1508 7.8524 7.8524 7.8651 7.8651 8.4903 8.4903 8.4980 8.4980 9.1807 9.1807 9.1990 9.1990 9.3935 9.3935 9.4125 9.4125 10.0087 10.0087 10.0132 10.0132 12.0566 12.0566 12.0601 12.0601 13.7635 13.7635 13.8304 13.8304 k = 0.5000-0.0000 0.1388 ( 3100 PWs) bands (ev): -4.2491 -4.2491 -4.2485 -4.2485 -0.0283 -0.0283 -0.0277 -0.0277 4.2497 4.2497 4.2575 4.2575 6.2750 6.2750 6.2784 6.2784 7.1652 7.1652 7.1679 7.1679 7.8503 7.8503 7.8614 7.8614 8.4604 8.4604 8.4676 8.4676 9.1869 9.1869 9.2038 9.2038 9.4044 9.4044 9.4220 9.4220 10.0050 10.0050 10.0091 10.0091 12.0641 12.0641 12.0674 12.0674 13.7503 13.7503 13.7965 13.7965 k = 0.5000-0.0000 0.1215 ( 3100 PWs) bands (ev): -4.2627 -4.2627 -4.2621 -4.2621 0.0226 0.0226 0.0231 0.0231 4.2213 4.2213 4.2283 4.2283 6.2377 6.2377 6.2410 6.2410 7.1815 7.1815 7.1840 7.1840 7.8495 7.8495 7.8590 7.8590 8.4328 8.4328 8.4396 8.4396 9.1911 9.1911 9.2061 9.2061 9.4171 9.4171 9.4327 9.4327 10.0018 10.0018 10.0056 10.0056 12.0709 12.0709 12.0739 12.0739 13.7302 13.7302 13.7629 13.7629 k = 0.5000-0.0000 0.1041 ( 3102 PWs) bands (ev): -4.2746 -4.2746 -4.2741 -4.2741 0.0682 0.0682 0.0687 0.0687 4.1956 4.1956 4.2018 4.2018 6.2040 6.2040 6.2072 6.2072 7.1964 7.1964 7.1988 7.1988 7.8497 7.8497 7.8577 7.8577 8.4080 8.4080 8.4143 8.4143 9.1936 9.1936 9.2067 9.2067 9.4304 9.4304 9.4440 9.4440 9.9991 9.9991 10.0025 10.0025 12.0770 12.0770 12.0798 12.0798 13.7080 13.7080 13.7320 13.7320 k = 0.5000-0.0000 0.0868 ( 3100 PWs) bands (ev): -4.2846 -4.2846 -4.2842 -4.2842 0.1080 0.1080 0.1084 0.1084 4.1730 4.1730 4.1783 4.1783 6.1745 6.1745 6.1774 6.1774 7.2097 7.2097 7.2120 7.2120 7.8505 7.8505 7.8571 7.8571 8.3863 8.3863 8.3921 8.3921 9.1951 9.1951 9.2064 9.2064 9.4435 9.4435 9.4548 9.4548 9.9968 9.9968 10.0000 10.0000 12.0824 12.0824 12.0848 12.0848 13.6867 13.6867 13.7044 13.7044 k = 0.5000-0.0000 0.0694 ( 3096 PWs) bands (ev): -4.2929 -4.2929 -4.2926 -4.2926 0.1414 0.1414 0.1417 0.1417 4.1539 4.1539 4.1583 4.1583 6.1497 6.1497 6.1523 6.1523 7.2211 7.2211 7.2233 7.2233 7.8516 7.8516 7.8569 7.8569 8.3679 8.3679 8.3733 8.3733 9.1960 9.1960 9.2056 9.2056 9.4553 9.4553 9.4645 9.4645 9.9950 9.9950 9.9979 9.9979 12.0869 12.0869 12.0890 12.0890 13.6679 13.6679 13.6809 13.6809 k = 0.5000-0.0000 0.0521 ( 3096 PWs) bands (ev): -4.2994 -4.2994 -4.2991 -4.2991 0.1679 0.1679 0.1681 0.1681 4.1388 4.1388 4.1421 4.1421 6.1301 6.1301 6.1323 6.1323 7.2303 7.2303 7.2324 7.2324 7.8528 7.8528 7.8568 7.8568 8.3533 8.3533 8.3583 8.3583 9.1964 9.1964 9.2045 9.2045 9.4654 9.4654 9.4725 9.4725 9.9936 9.9936 9.9963 9.9963 12.0905 12.0905 12.0923 12.0923 13.6526 13.6526 13.6619 13.6619 k = 0.5000-0.0000 0.0347 ( 3094 PWs) bands (ev): -4.3040 -4.3040 -4.3038 -4.3038 0.1871 0.1871 0.1873 0.1873 4.1279 4.1279 4.1301 4.1301 6.1159 6.1159 6.1177 6.1177 7.2371 7.2371 7.2391 7.2391 7.8540 7.8540 7.8566 7.8566 8.3427 8.3427 8.3473 8.3473 9.1966 9.1966 9.2035 9.2035 9.4731 9.4731 9.4783 9.4783 9.9926 9.9926 9.9952 9.9952 12.0932 12.0932 12.0947 12.0947 13.6416 13.6416 13.6477 13.6477 k = 0.5000-0.0000 0.0174 ( 3098 PWs) bands (ev): -4.3068 -4.3068 -4.3067 -4.3067 0.1988 0.1988 0.1990 0.1990 4.1215 4.1215 4.1226 4.1226 6.1074 6.1074 6.1089 6.1089 7.2412 7.2412 7.2432 7.2432 7.8550 7.8550 7.8564 7.8564 8.3362 8.3362 8.3406 8.3406 9.1966 9.1966 9.2027 9.2027 9.4781 9.4781 9.4816 9.4816 9.9920 9.9920 9.9945 9.9945 12.0949 12.0949 12.0961 12.0961 13.6352 13.6352 13.6387 13.6387 k = 0.5000-0.0000-0.0000 ( 3098 PWs) bands (ev): -4.3077 -4.3077 -4.3076 -4.3076 0.2027 0.2027 0.2029 0.2029 4.1197 4.1197 4.1197 4.1197 6.1045 6.1045 6.1059 6.1059 7.2426 7.2426 7.2445 7.2445 7.8557 7.8557 7.8560 7.8560 8.3340 8.3340 8.3383 8.3383 9.1966 9.1966 9.2025 9.2025 9.4799 9.4799 9.4827 9.4827 9.9918 9.9918 9.9942 9.9942 12.0954 12.0954 12.0966 12.0966 13.6334 13.6334 13.6354 13.6354 k = 0.0000 0.0000 0.5901 ( 3100 PWs) bands (ev): -4.2978 -4.2978 -3.5010 -3.5010 -1.5068 -1.5068 0.1773 0.1773 3.5158 3.5158 3.6286 3.6286 6.7879 6.7879 7.0370 7.0370 7.1293 7.1293 7.5930 7.5930 8.0023 8.0023 8.1052 8.1052 8.7424 8.7424 8.7923 8.7923 9.2223 9.2223 9.3323 9.3323 9.4519 9.4519 9.6124 9.6124 10.3374 10.3374 11.0708 11.0708 11.7820 11.7820 12.5273 12.5273 13.1013 13.1013 13.6210 13.6210 k = 0.0172-0.0000 0.5901 ( 3090 PWs) bands (ev): -4.2969 -4.2969 -3.5007 -3.5007 -1.5080 -1.5080 0.1730 0.1730 3.5189 3.5189 3.6336 3.6336 6.7878 6.7880 7.0365 7.0365 7.1267 7.1268 7.5875 7.5878 8.0081 8.0083 8.1079 8.1085 8.7433 8.7435 8.7929 8.7938 9.2221 9.2227 9.3306 9.3312 9.4516 9.4523 9.6101 9.6103 10.3369 10.3370 11.0676 11.0677 11.7845 11.7847 12.5190 12.5193 13.1099 13.1103 13.6198 13.6200 k = 0.0345-0.0000 0.5901 ( 3086 PWs) bands (ev): -4.2943 -4.2943 -3.4999 -3.4998 -1.5115 -1.5115 0.1604 0.1604 3.5281 3.5282 3.6483 3.6483 6.7877 6.7880 7.0351 7.0351 7.1192 7.1193 7.5721 7.5726 8.0249 8.0253 8.1166 8.1178 8.7460 8.7462 8.7954 8.7973 9.2220 9.2233 9.3258 9.3270 9.4514 9.4528 9.6035 9.6039 10.3356 10.3357 11.0584 11.0585 11.7921 11.7926 12.4956 12.4963 13.1347 13.1354 13.6164 13.6167 k = 0.0517-0.0000 0.5901 ( 3086 PWs) bands (ev): -4.2900 -4.2900 -3.4985 -3.4985 -1.5173 -1.5173 0.1396 0.1396 3.5432 3.5434 3.6726 3.6727 6.7875 6.7880 7.0327 7.0328 7.1068 7.1070 7.5487 7.5495 8.0505 8.0512 8.1310 8.1327 8.7505 8.7508 8.7999 8.8028 9.2217 9.2237 9.3180 9.3197 9.4518 9.4538 9.5925 9.5931 10.3333 10.3336 11.0434 11.0436 11.8045 11.8051 12.4604 12.4613 13.1725 13.1735 13.6102 13.6107 k = 0.0690-0.0000 0.5901 ( 3086 PWs) bands (ev): -4.2839 -4.2839 -3.4966 -3.4966 -1.5252 -1.5251 0.1110 0.1110 3.5643 3.5645 3.7061 3.7061 6.7872 6.7879 7.0294 7.0295 7.0902 7.0904 7.5197 7.5208 8.0827 8.0836 8.1505 8.1528 8.7568 8.7572 8.8064 8.8102 9.2208 9.2234 9.3075 9.3094 9.4533 9.4558 9.5775 9.5784 10.3302 10.3305 11.0232 11.0236 11.8210 11.8219 12.4168 12.4179 13.2196 13.2209 13.6009 13.6015 k = 0.0862-0.0000 0.5901 ( 3090 PWs) bands (ev): -4.2762 -4.2762 -3.4944 -3.4944 -1.5349 -1.5349 0.0753 0.0754 3.5910 3.5912 3.7480 3.7481 6.7868 6.7878 7.0251 7.0253 7.0696 7.0700 7.4867 7.4881 8.1195 8.1207 8.1745 8.1773 8.7648 8.7654 8.8147 8.8195 9.2181 9.2215 9.2954 9.2973 9.4561 9.4591 9.5586 9.5600 10.3262 10.3265 10.9986 10.9991 11.8411 11.8423 12.3675 12.3687 13.2729 13.2746 13.5878 13.5882 k = 0.1034-0.0000 0.5901 ( 3088 PWs) bands (ev): -4.2667 -4.2667 -3.4918 -3.4918 -1.5463 -1.5463 0.0331 0.0331 3.6231 3.6235 3.7978 3.7978 6.7864 6.7876 7.0200 7.0202 7.0458 7.0465 7.4513 7.4529 8.1594 8.1609 8.2025 8.2058 8.7745 8.7752 8.8248 8.8307 9.2116 9.2157 9.2841 9.2859 9.4602 9.4640 9.5365 9.5386 10.3214 10.3217 10.9701 10.9707 11.8643 11.8658 12.3145 12.3159 13.3303 13.3323 13.5699 13.5702 k = 0.1207-0.0000 0.5901 ( 3088 PWs) bands (ev): -4.2556 -4.2556 -3.4891 -3.4891 -1.5591 -1.5590 -0.0149 -0.0149 3.6605 3.6609 3.8545 3.8546 6.7860 6.7874 7.0125 7.0127 7.0203 7.0217 7.4141 7.4160 8.2012 8.2030 8.2337 8.2374 8.7859 8.7867 8.8366 8.8435 9.1985 9.2031 9.2766 9.2784 9.4643 9.4694 9.5125 9.5161 10.3158 10.3161 10.9385 10.9392 11.8900 11.8917 12.2590 12.2605 13.3896 13.3919 13.5465 13.5470 k = 0.1379-0.0000 0.5901 ( 3088 PWs) bands (ev): -4.2429 -4.2428 -3.4863 -3.4863 -1.5728 -1.5727 -0.0681 -0.0681 3.7028 3.7032 3.9175 3.9176 6.7854 6.7872 6.9882 6.9888 7.0088 7.0098 7.3758 7.3780 8.2439 8.2459 8.2676 8.2715 8.7989 8.7997 8.8500 8.8579 9.1783 9.1829 9.2744 9.2763 9.4611 9.4670 9.4956 9.5004 10.3094 10.3096 10.9043 10.9051 11.9176 11.9197 12.2020 12.2036 13.4472 13.4480 13.5183 13.5220 k = 0.1552-0.0000 0.5901 ( 3094 PWs) bands (ev): -4.2285 -4.2285 -3.4837 -3.4837 -1.5871 -1.5870 -0.1256 -0.1256 3.7498 3.7502 3.9858 3.9858 6.7847 6.7869 6.9568 6.9580 7.0014 7.0024 7.3367 7.3391 8.2867 8.2885 8.3037 8.3075 8.8133 8.8142 8.8648 8.8738 9.1524 9.1569 9.2764 9.2784 9.4400 9.4429 9.5003 9.5024 10.3023 10.3024 10.8679 10.8688 11.9469 11.9492 12.1441 12.1457 13.4598 13.4649 13.5211 13.5335 k = 0.1724-0.0000 0.5901 ( 3090 PWs) bands (ev): -4.2126 -4.2126 -3.4813 -3.4813 -1.6016 -1.6015 -0.1868 -0.1868 3.8011 3.8015 4.0585 4.0586 6.7837 6.7866 6.9236 6.9254 6.9936 6.9947 7.2970 7.2998 8.3286 8.3295 8.3422 8.3450 8.8293 8.8301 8.8810 8.8910 9.1231 9.1275 9.2811 9.2832 9.4102 9.4113 9.5132 9.5142 10.2945 10.2945 10.8299 10.8310 11.9772 11.9799 12.0861 12.0878 13.4188 13.4221 13.5712 13.5875 k = 0.1897-0.0000 0.5901 ( 3090 PWs) bands (ev): -4.1951 -4.1951 -3.4794 -3.4794 -1.6158 -1.6157 -0.2511 -0.2511 3.8563 3.8568 4.1347 4.1349 6.7821 6.7859 6.8891 6.8918 6.9853 6.9866 7.2570 7.2601 8.3678 8.3686 8.3825 8.3835 8.8464 8.8471 8.8983 8.9094 9.0921 9.0963 9.2869 9.2886 9.3787 9.3788 9.5297 9.5302 10.2860 10.2861 10.7906 10.7918 12.0041 12.0072 12.0325 12.0343 13.3636 13.3663 13.6107 13.6368 k = 0.2069-0.0000 0.5901 ( 3084 PWs) bands (ev): -4.1762 -4.1762 -3.4783 -3.4782 -1.6294 -1.6293 -0.3178 -0.3177 3.9152 3.9157 4.2137 4.2138 6.7790 6.7844 6.8542 6.8585 6.9766 6.9782 7.2165 7.2201 8.4038 8.4059 8.4223 8.4228 8.8645 8.8651 8.9166 8.9288 9.0608 9.0650 9.2890 9.2900 9.3508 9.3519 9.5490 9.5495 10.2769 10.2773 10.7503 10.7518 11.9663 11.9672 12.0459 12.0484 13.2988 13.3011 13.6156 13.6439 k = 0.2241-0.0000 0.5901 ( 3086 PWs) bands (ev): -4.1559 -4.1559 -3.4780 -3.4780 -1.6417 -1.6416 -0.3863 -0.3863 3.9773 3.9779 4.2945 4.2947 6.7713 6.7794 6.8220 6.8289 6.9674 6.9694 7.1758 7.1798 8.4375 8.4402 8.4599 8.4614 8.8831 8.8837 8.9353 8.9488 9.0308 9.0352 9.2753 9.2759 9.3406 9.3422 9.5711 9.5716 10.2673 10.2680 10.7094 10.7112 11.9092 11.9104 12.0788 12.0820 13.2253 13.2274 13.5868 13.6075 k = 0.2414-0.0000 0.5901 ( 3092 PWs) bands (ev): -4.1342 -4.1342 -3.4789 -3.4789 -1.6525 -1.6524 -0.4561 -0.4561 4.0423 4.0429 4.3763 4.3765 6.7524 6.7608 6.8027 6.8098 6.9577 6.9602 7.1347 7.1394 8.4682 8.4711 8.4953 8.4973 8.9013 8.9019 8.9531 8.9691 9.0043 9.0098 9.2454 9.2466 9.3493 9.3500 9.5959 9.5964 10.2574 10.2584 10.6682 10.6704 11.8526 11.8539 12.1134 12.1170 13.1440 13.1460 13.5434 13.5595 k = 0.2586-0.0000 0.5901 ( 3092 PWs) bands (ev): -4.1112 -4.1112 -3.4812 -3.4812 -1.6611 -1.6610 -0.5268 -0.5268 4.1097 4.1103 4.4582 4.4584 6.7218 6.7276 6.7976 6.8020 6.9475 6.9508 7.0934 7.0989 8.4952 8.4979 8.5274 8.5296 8.9163 8.9175 8.9646 8.9809 8.9936 8.9974 9.2110 9.2133 9.3658 9.3663 9.6233 9.6237 10.2471 10.2486 10.6269 10.6295 11.7974 11.7986 12.1489 12.1530 13.0558 13.0577 13.4940 13.5075 k = 0.2759-0.0000 0.5901 ( 3096 PWs) bands (ev): -4.0871 -4.0870 -3.4851 -3.4850 -1.6673 -1.6672 -0.5978 -0.5978 4.1792 4.1798 4.5393 4.5394 6.6862 6.6903 6.7968 6.7995 6.9366 6.9410 7.0519 7.0586 8.5173 8.5195 8.5554 8.5575 8.9212 8.9231 8.9682 8.9773 9.0071 9.0129 9.1766 9.1805 9.3862 9.3882 9.6530 9.6532 10.2367 10.2389 10.5859 10.5890 11.7442 11.7454 12.1852 12.1898 12.9617 12.9637 13.4415 13.4536 k = 0.2931-0.0000 0.5901 ( 3100 PWs) bands (ev): -4.0617 -4.0617 -3.4907 -3.4906 -1.6706 -1.6705 -0.6689 -0.6689 4.2502 4.2508 4.6186 4.6187 6.6490 6.6522 6.7973 6.7990 6.9243 6.9305 7.0105 7.0191 8.5338 8.5353 8.5785 8.5804 8.9149 8.9165 8.9802 8.9882 9.0243 9.0333 9.1446 9.1509 9.4102 9.4141 9.6845 9.6847 10.2264 10.2293 10.5453 10.5491 11.6937 11.6948 12.2223 12.2273 12.8629 12.8650 13.3874 13.3984 k = 0.3103-0.0000 0.5901 ( 3108 PWs) bands (ev): -4.0354 -4.0353 -3.4982 -3.4982 -1.6705 -1.6705 -0.7396 -0.7396 4.3223 4.3230 4.6950 4.6951 6.6118 6.6146 6.7984 6.7995 6.9093 6.9182 6.9704 6.9818 8.5442 8.5449 8.5963 8.5977 8.9071 8.9084 8.9961 9.0050 9.0408 9.0526 9.1172 9.1278 9.4377 9.4436 9.7169 9.7178 10.2163 10.2203 10.5055 10.5101 11.6468 11.6479 12.2600 12.2657 12.7603 12.7627 13.3322 13.3425 k = 0.3276-0.0000 0.5901 ( 3110 PWs) bands (ev): -4.0081 -4.0080 -3.5078 -3.5078 -1.6669 -1.6669 -0.8095 -0.8095 4.3951 4.3957 4.7675 4.7677 6.5759 6.5783 6.8000 6.8007 6.8884 6.8996 6.9364 6.9502 8.5486 8.5487 8.6082 8.6091 8.9026 8.9038 9.0092 9.0206 9.0537 9.0673 9.1006 9.1164 9.4685 9.4765 9.7494 9.7515 10.2066 10.2120 10.4668 10.4723 11.6044 11.6054 12.2981 12.3048 12.6551 12.6581 13.2765 13.2862 k = 0.3448-0.0000 0.5901 ( 3100 PWs) bands (ev): -3.9800 -3.9799 -3.5196 -3.5195 -1.6595 -1.6594 -0.8784 -0.8784 4.4680 4.4686 4.8349 4.8350 6.5421 6.5442 6.8018 6.8021 6.8584 6.8672 6.9160 6.9275 8.5476 8.5482 8.6142 8.6146 8.9023 8.9034 9.0128 9.0269 9.0654 9.0741 9.1052 9.1194 9.5023 9.5125 9.7810 9.7847 10.1977 10.2049 10.4294 10.4360 11.5677 11.5687 12.3360 12.3445 12.5484 12.5530 13.2208 13.2300 k = 0.3621-0.0000 0.5901 ( 3102 PWs) bands (ev): -3.9512 -3.9511 -3.5335 -3.5334 -1.6480 -1.6480 -0.9459 -0.9459 4.5404 4.5410 4.8957 4.8958 6.5114 6.5134 6.8020 6.8025 6.8231 6.8281 6.9037 6.9118 8.5431 8.5441 8.6144 8.6144 8.9052 8.9063 9.0069 9.0199 9.0805 9.0861 9.1201 9.1309 9.5386 9.5510 9.8100 9.8162 10.1897 10.1992 10.3936 10.4015 11.5380 11.5389 12.3674 12.3833 12.4430 12.4546 13.1651 13.1739 k = 0.3793-0.0000 0.5901 ( 3106 PWs) bands (ev): -3.9218 -3.9217 -3.5496 -3.5495 -1.6324 -1.6323 -1.0119 -1.0118 4.6117 4.6123 4.9486 4.9487 6.4852 6.4871 6.7762 6.7793 6.8106 6.8107 6.8936 6.8997 8.5370 8.5382 8.6093 8.6095 8.9106 8.9115 8.9979 9.0089 9.0980 9.1029 9.1358 9.1447 9.5769 9.5915 9.8352 9.8443 10.1830 10.1954 10.3597 10.3691 11.5166 11.5174 12.3228 12.3309 12.4300 12.4335 13.1098 13.1182 k = 0.3966-0.0000 0.5901 ( 3112 PWs) bands (ev): -3.8920 -3.8919 -3.5678 -3.5677 -1.6125 -1.6125 -1.0759 -1.0759 4.6811 4.6817 4.9920 4.9921 6.4646 6.4663 6.7345 6.7365 6.8124 6.8129 6.8845 6.8893 8.5306 8.5318 8.6003 8.6006 8.9174 8.9181 8.9893 8.9987 9.1157 9.1202 9.1503 9.1581 9.6164 9.6332 9.8550 9.8678 10.1778 10.1936 10.3281 10.3392 11.5050 11.5058 12.2231 12.2262 12.4700 12.4717 13.0549 13.0630 k = 0.4138-0.0000 0.5901 ( 3114 PWs) bands (ev): -3.8619 -3.8618 -3.5880 -3.5879 -1.5884 -1.5883 -1.1378 -1.1378 4.7479 4.7485 5.0247 5.0248 6.4507 6.4524 6.6917 6.6928 6.8157 6.8165 6.8760 6.8800 8.5251 8.5262 8.5887 8.5890 8.9249 8.9252 8.9821 8.9903 9.1328 9.1367 9.1630 9.1699 9.6564 9.6752 9.8684 9.8850 10.1747 10.1939 10.2989 10.3120 11.5045 11.5052 12.1215 12.1233 12.5119 12.5152 13.0008 13.0085 k = 0.4310-0.0000 0.5901 ( 3112 PWs) bands (ev): -3.8317 -3.8317 -3.6101 -3.6101 -1.5600 -1.5600 -1.1973 -1.1972 4.8112 4.8117 5.0456 5.0457 6.4446 6.4461 6.6491 6.6497 6.8197 6.8207 6.8681 6.8714 8.5212 8.5222 8.5757 8.5759 8.9324 8.9326 8.9762 8.9833 9.1484 9.1516 9.1734 9.1793 9.6958 9.7166 9.8745 9.8949 10.1737 10.1961 10.2725 10.2878 11.5162 11.5168 12.0229 12.0239 12.5557 12.5599 12.9474 12.9548 k = 0.4483-0.0000 0.5901 ( 3114 PWs) bands (ev): -3.8016 -3.8016 -3.6340 -3.6339 -1.5276 -1.5275 -1.2541 -1.2541 4.8699 4.8704 5.0540 5.0542 6.4468 6.4482 6.6078 6.6079 6.8242 6.8254 6.8605 6.8634 8.5195 8.5204 8.5626 8.5627 8.9393 8.9401 8.9711 8.9771 9.1620 9.1642 9.1811 9.1859 9.7337 9.7563 9.8732 9.8967 10.1754 10.2000 10.2491 10.2667 11.5406 11.5412 11.9289 11.9295 12.6008 12.6056 12.8949 12.9020 k = 0.4655-0.0000 0.5901 ( 3108 PWs) bands (ev): -3.7718 -3.7717 -3.6593 -3.6592 -1.4910 -1.4910 -1.3081 -1.3081 4.9228 4.9232 5.0498 5.0500 6.4573 6.4586 6.5685 6.5688 6.8291 6.8306 6.8534 6.8559 8.5205 8.5212 8.5502 8.5503 8.9457 8.9473 8.9664 8.9715 9.1733 9.1745 9.1859 9.1896 9.7689 9.7933 9.8646 9.8903 10.1798 10.2056 10.2288 10.2489 11.5780 11.5785 11.8410 11.8413 12.6472 12.6524 12.8433 12.8500 k = 0.4828-0.0000 0.5901 ( 3112 PWs) bands (ev): -3.7424 -3.7424 -3.6860 -3.6859 -1.4507 -1.4506 -1.3590 -1.3590 4.9686 4.9690 5.0335 5.0337 6.4758 6.4768 6.5326 6.5332 6.8345 6.8362 6.8467 6.8488 8.5241 8.5247 8.5393 8.5395 8.9515 8.9539 8.9618 8.9659 9.1819 9.1819 9.1877 9.1902 9.8006 9.8263 9.8492 9.8759 10.1872 10.2116 10.2129 10.2341 11.6278 11.6281 11.7606 11.7607 12.6946 12.7002 12.7927 12.7991 k = 0.5000-0.0000 0.5901 ( 3104 PWs) bands (ev): -3.7138 -3.7138 -3.7137 -3.7137 -1.4066 -1.4066 -1.4065 -1.4065 5.0060 5.0060 5.0063 5.0063 6.5012 6.5012 6.5021 6.5021 6.8404 6.8404 6.8424 6.8424 8.5305 8.5305 8.5308 8.5308 8.9569 8.9569 8.9601 8.9601 9.1863 9.1863 9.1877 9.1877 9.8276 9.8276 9.8542 9.8542 10.1978 10.1978 10.2223 10.2223 11.6891 11.6891 11.6892 11.6892 12.7431 12.7431 12.7492 12.7492 Writing output data file CoAsS.save init_run : 2.62s CPU 11.99s WALL ( 1 calls) electrons : 510.79s CPU 517.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 510.76s CPU 517.05s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.83s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.08s CPU 0.46s WALL ( 1 calls) newd : 0.35s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.15s WALL ( 330 calls) cegterg : 460.76s CPU 464.38s WALL ( 649 calls) Called by sum_band: Called by *egterg: h_psi : 197.07s CPU 203.95s WALL ( 11318 calls) s_psi : 30.14s CPU 30.80s WALL ( 11318 calls) g_psi : 0.45s CPU 0.47s WALL ( 10339 calls) cdiaghg : 171.57s CPU 169.67s WALL ( 10669 calls) cegterg:over : 43.34s CPU 40.06s WALL ( 10339 calls) cegterg:upda : 6.15s CPU 8.97s WALL ( 10339 calls) cegterg:last : 6.38s CPU 7.15s WALL ( 1973 calls) Called by h_psi: h_psi:vloc : 137.97s CPU 143.45s WALL ( 11318 calls) h_psi:vnl : 58.94s CPU 59.87s WALL ( 11318 calls) add_vuspsi : 19.85s CPU 23.71s WALL ( 11318 calls) General routines calbec : 39.05s CPU 36.06s WALL ( 11318 calls) fft : 0.18s CPU 1.70s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 132.42s CPU 137.82s WALL ( 1152004 calls) interpolate : 0.05s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 1.53s WALL ( 660 calls) Parallel routines fft_scatter : 91.12s CPU 94.48s WALL ( 1152027 calls) PWSCF : 9m18.01s CPU 10m50.02s WALL This run was terminated on: 18:55:20 15Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=