Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:18:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AgF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 24 7 1260 616 102 Max 39 25 8 1263 639 106 Sum 1375 871 259 45395 22777 3755 bravais-lattice index = 14 lattice parameter (alat) = 8.6360 a.u. unit-cell volume = 476.7691 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.636048 celldm(2)= 0.730853 celldm(3)= 1.194535 celldm(4)= 0.530190 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 0.730853 0.000000 ) a(3) = ( 0.000000 0.633330 1.012821 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.368263 -0.855592 ) b(3) = ( 0.000000 0.000000 0.987341 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 F 7.00 18.99840 F( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.3166649 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5064105 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.3166649 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5064105 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0000000 0.0145197), wk = 0.0028902 k( 3) = ( 0.0000000 0.0000000 0.0290394), wk = 0.0028902 k( 4) = ( 0.0000000 0.0000000 0.0435592), wk = 0.0028902 k( 5) = ( 0.0000000 0.0000000 0.0580789), wk = 0.0028902 k( 6) = ( 0.0000000 0.0000000 0.0725986), wk = 0.0028902 k( 7) = ( 0.0000000 0.0000000 0.0871183), wk = 0.0028902 k( 8) = ( 0.0000000 0.0000000 0.1016381), wk = 0.0028902 k( 9) = ( 0.0000000 0.0000000 0.1161578), wk = 0.0028902 k( 10) = ( 0.0000000 0.0000000 0.1306775), wk = 0.0028902 k( 11) = ( 0.0000000 0.0000000 0.1451972), wk = 0.0028902 k( 12) = ( 0.0000000 0.0000000 0.1597170), wk = 0.0028902 k( 13) = ( 0.0000000 0.0000000 0.1742367), wk = 0.0028902 k( 14) = ( 0.0000000 0.0000000 0.1887564), wk = 0.0028902 k( 15) = ( 0.0000000 0.0000000 0.2032761), wk = 0.0028902 k( 16) = ( 0.0000000 0.0000000 0.2177959), wk = 0.0028902 k( 17) = ( 0.0000000 0.0000000 0.2323156), wk = 0.0028902 k( 18) = ( 0.0000000 0.0000000 0.2468353), wk = 0.0028902 k( 19) = ( 0.0000000 0.0000000 0.2613550), wk = 0.0028902 k( 20) = ( 0.0000000 0.0000000 0.2758747), wk = 0.0028902 k( 21) = ( 0.0000000 0.0000000 0.2903945), wk = 0.0028902 k( 22) = ( 0.0000000 0.0000000 0.3049142), wk = 0.0028902 k( 23) = ( 0.0000000 0.0000000 0.3194339), wk = 0.0028902 k( 24) = ( 0.0000000 0.0000000 0.3339536), wk = 0.0028902 k( 25) = ( 0.0000000 0.0000000 0.3484734), wk = 0.0028902 k( 26) = ( 0.0000000 0.0000000 0.3629931), wk = 0.0028902 k( 27) = ( 0.0000000 0.0000000 0.3775128), wk = 0.0028902 k( 28) = ( 0.0000000 0.0000000 0.3920325), wk = 0.0028902 k( 29) = ( 0.0000000 0.0000000 0.4065523), wk = 0.0028902 k( 30) = ( 0.0000000 0.0000000 0.4210720), wk = 0.0028902 k( 31) = ( 0.0000000 0.0000000 0.4355917), wk = 0.0028902 k( 32) = ( 0.0000000 0.0000000 0.4501114), wk = 0.0028902 k( 33) = ( 0.0000000 0.0000000 0.4646312), wk = 0.0028902 k( 34) = ( 0.0000000 0.0000000 0.4791509), wk = 0.0028902 k( 35) = ( 0.0000000 0.0000000 0.4936706), wk = 0.0028902 k( 36) = ( 0.0000000 0.0000000 0.4936706), wk = 0.0028902 k( 37) = ( 0.0000000 0.0142875 0.4936706), wk = 0.0028902 k( 38) = ( 0.0000000 0.0285751 0.4936706), wk = 0.0028902 k( 39) = ( 0.0000000 0.0428626 0.4936706), wk = 0.0028902 k( 40) = ( 0.0000000 0.0571502 0.4936706), wk = 0.0028902 k( 41) = ( 0.0000000 0.0714377 0.4936706), wk = 0.0028902 k( 42) = ( 0.0000000 0.0857253 0.4936706), wk = 0.0028902 k( 43) = ( 0.0000000 0.1000128 0.4936706), wk = 0.0028902 k( 44) = ( 0.0000000 0.1143004 0.4936706), wk = 0.0028902 k( 45) = ( 0.0000000 0.1285879 0.4936706), wk = 0.0028902 k( 46) = ( 0.0000000 0.1428755 0.4936706), wk = 0.0028902 k( 47) = ( 0.0000000 0.1571630 0.4936706), wk = 0.0028902 k( 48) = ( 0.0000000 0.1714506 0.4936706), wk = 0.0028902 k( 49) = ( 0.0000000 0.1857381 0.4936706), wk = 0.0028902 k( 50) = ( 0.0000000 0.2000257 0.4936706), wk = 0.0028902 k( 51) = ( 0.0000000 0.2143132 0.4936706), wk = 0.0028902 k( 52) = ( 0.0000000 0.2286008 0.4936706), wk = 0.0028902 k( 53) = ( 0.0000000 0.2428883 0.4936706), wk = 0.0028902 k( 54) = ( 0.0000000 0.2571759 0.4936706), wk = 0.0028902 k( 55) = ( 0.0000000 0.2714634 0.4936706), wk = 0.0028902 k( 56) = ( 0.0000000 0.2857509 0.4936706), wk = 0.0028902 k( 57) = ( 0.0000000 0.3000385 0.4936706), wk = 0.0028902 k( 58) = ( 0.0000000 0.3143261 0.4936706), wk = 0.0028902 k( 59) = ( 0.0000000 0.3286136 0.4936706), wk = 0.0028902 k( 60) = ( 0.0000000 0.3429011 0.4936706), wk = 0.0028902 k( 61) = ( 0.0000000 0.3571887 0.4936706), wk = 0.0028902 k( 62) = ( 0.0000000 0.3714762 0.4936706), wk = 0.0028902 k( 63) = ( 0.0000000 0.3857638 0.4936706), wk = 0.0028902 k( 64) = ( 0.0000000 0.4000513 0.4936706), wk = 0.0028902 k( 65) = ( 0.0000000 0.4143389 0.4936706), wk = 0.0028902 k( 66) = ( 0.0000000 0.4286264 0.4936706), wk = 0.0028902 k( 67) = ( 0.0000000 0.4429140 0.4936706), wk = 0.0028902 k( 68) = ( 0.0000000 0.4572015 0.4936706), wk = 0.0028902 k( 69) = ( 0.0000000 0.4714891 0.4936706), wk = 0.0028902 k( 70) = ( 0.0000000 0.4857766 0.4936706), wk = 0.0028902 k( 71) = ( 0.0000000 0.5000642 0.4936706), wk = 0.0028902 k( 72) = ( 0.0000000 0.5143517 0.4936706), wk = 0.0028902 k( 73) = ( 0.0000000 0.5286393 0.4936706), wk = 0.0028902 k( 74) = ( 0.0000000 0.5429268 0.4936706), wk = 0.0028902 k( 75) = ( 0.0000000 0.5572144 0.4936706), wk = 0.0028902 k( 76) = ( 0.0000000 0.5715019 0.4936706), wk = 0.0028902 k( 77) = ( 0.0000000 0.5857895 0.4936706), wk = 0.0028902 k( 78) = ( 0.0000000 0.6000770 0.4936706), wk = 0.0028902 k( 79) = ( 0.0000000 0.6143646 0.4936706), wk = 0.0028902 k( 80) = ( 0.0000000 0.6286521 0.4936706), wk = 0.0028902 k( 81) = ( 0.0000000 0.6429396 0.4936706), wk = 0.0028902 k( 82) = ( 0.0000000 0.6429396 0.4936706), wk = 0.0028902 k( 83) = ( 0.0000000 0.6443127 0.4794107), wk = 0.0028902 k( 84) = ( 0.0000000 0.6456858 0.4651509), wk = 0.0028902 k( 85) = ( 0.0000000 0.6470589 0.4508910), wk = 0.0028902 k( 86) = ( 0.0000000 0.6484319 0.4366311), wk = 0.0028902 k( 87) = ( 0.0000000 0.6498050 0.4223712), wk = 0.0028902 k( 88) = ( 0.0000000 0.6511781 0.4081114), wk = 0.0028902 k( 89) = ( 0.0000000 0.6525511 0.3938515), wk = 0.0028902 k( 90) = ( 0.0000000 0.6539242 0.3795916), wk = 0.0028902 k( 91) = ( 0.0000000 0.6552973 0.3653317), wk = 0.0028902 k( 92) = ( 0.0000000 0.6566703 0.3510719), wk = 0.0028902 k( 93) = ( 0.0000000 0.6580434 0.3368120), wk = 0.0028902 k( 94) = ( 0.0000000 0.6594165 0.3225521), wk = 0.0028902 k( 95) = ( 0.0000000 0.6607896 0.3082922), wk = 0.0028902 k( 96) = ( 0.0000000 0.6621626 0.2940324), wk = 0.0028902 k( 97) = ( 0.0000000 0.6635357 0.2797725), wk = 0.0028902 k( 98) = ( 0.0000000 0.6649088 0.2655126), wk = 0.0028902 k( 99) = ( 0.0000000 0.6662818 0.2512527), wk = 0.0028902 k( 100) = ( 0.0000000 0.6676549 0.2369929), wk = 0.0028902 k( 101) = ( 0.0000000 0.6690280 0.2227330), wk = 0.0028902 k( 102) = ( 0.0000000 0.6704010 0.2084731), wk = 0.0028902 k( 103) = ( 0.0000000 0.6717741 0.1942133), wk = 0.0028902 k( 104) = ( 0.0000000 0.6731472 0.1799534), wk = 0.0028902 k( 105) = ( 0.0000000 0.6745202 0.1656935), wk = 0.0028902 k( 106) = ( 0.0000000 0.6758933 0.1514336), wk = 0.0028902 k( 107) = ( 0.0000000 0.6772664 0.1371738), wk = 0.0028902 k( 108) = ( 0.0000000 0.6786395 0.1229139), wk = 0.0028902 k( 109) = ( 0.0000000 0.6800125 0.1086540), wk = 0.0028902 k( 110) = ( 0.0000000 0.6813856 0.0943941), wk = 0.0028902 k( 111) = ( 0.0000000 0.6827587 0.0801343), wk = 0.0028902 k( 112) = ( 0.0000000 0.6841317 0.0658744), wk = 0.0028902 k( 113) = ( 0.0000000 0.6841317 0.0658744), wk = 0.0028902 k( 114) = ( 0.0142857 0.6841317 0.0658744), wk = 0.0028902 k( 115) = ( 0.0285714 0.6841317 0.0658744), wk = 0.0028902 k( 116) = ( 0.0428571 0.6841317 0.0658744), wk = 0.0028902 k( 117) = ( 0.0571429 0.6841317 0.0658744), wk = 0.0028902 k( 118) = ( 0.0714286 0.6841317 0.0658744), wk = 0.0028902 k( 119) = ( 0.0857143 0.6841317 0.0658744), wk = 0.0028902 k( 120) = ( 0.1000000 0.6841317 0.0658744), wk = 0.0028902 k( 121) = ( 0.1142857 0.6841317 0.0658744), wk = 0.0028902 k( 122) = ( 0.1285714 0.6841317 0.0658744), wk = 0.0028902 k( 123) = ( 0.1428571 0.6841317 0.0658744), wk = 0.0028902 k( 124) = ( 0.1571429 0.6841317 0.0658744), wk = 0.0028902 k( 125) = ( 0.1714286 0.6841317 0.0658744), wk = 0.0028902 k( 126) = ( 0.1857143 0.6841317 0.0658744), wk = 0.0028902 k( 127) = ( 0.2000000 0.6841317 0.0658744), wk = 0.0028902 k( 128) = ( 0.2142857 0.6841317 0.0658744), wk = 0.0028902 k( 129) = ( 0.2285714 0.6841317 0.0658744), wk = 0.0028902 k( 130) = ( 0.2428571 0.6841317 0.0658744), wk = 0.0028902 k( 131) = ( 0.2571429 0.6841317 0.0658744), wk = 0.0028902 k( 132) = ( 0.2714286 0.6841317 0.0658744), wk = 0.0028902 k( 133) = ( 0.2857143 0.6841317 0.0658744), wk = 0.0028902 k( 134) = ( 0.3000000 0.6841317 0.0658744), wk = 0.0028902 k( 135) = ( 0.3142857 0.6841317 0.0658744), wk = 0.0028902 k( 136) = ( 0.3285714 0.6841317 0.0658744), wk = 0.0028902 k( 137) = ( 0.3428571 0.6841317 0.0658744), wk = 0.0028902 k( 138) = ( 0.3571429 0.6841317 0.0658744), wk = 0.0028902 k( 139) = ( 0.3714286 0.6841317 0.0658744), wk = 0.0028902 k( 140) = ( 0.3857143 0.6841317 0.0658744), wk = 0.0028902 k( 141) = ( 0.4000000 0.6841317 0.0658744), wk = 0.0028902 k( 142) = ( 0.4142857 0.6841317 0.0658744), wk = 0.0028902 k( 143) = ( 0.4285714 0.6841317 0.0658744), wk = 0.0028902 k( 144) = ( 0.4428571 0.6841317 0.0658744), wk = 0.0028902 k( 145) = ( 0.4571429 0.6841317 0.0658744), wk = 0.0028902 k( 146) = ( 0.4714286 0.6841317 0.0658744), wk = 0.0028902 k( 147) = ( 0.4857143 0.6841317 0.0658744), wk = 0.0028902 k( 148) = ( 0.5000000 0.6841317 0.0658744), wk = 0.0028902 k( 149) = ( 0.5000000 0.6841317 0.0658744), wk = 0.0028902 k( 150) = ( 0.5000000 0.6855048 0.0516145), wk = 0.0028902 k( 151) = ( 0.5000000 0.6868779 0.0373546), wk = 0.0028902 k( 152) = ( 0.5000000 0.6882509 0.0230948), wk = 0.0028902 k( 153) = ( 0.5000000 0.6896240 0.0088349), wk = 0.0028902 k( 154) = ( 0.5000000 0.6909971 -0.0054250), wk = 0.0028902 k( 155) = ( 0.5000000 0.6923702 -0.0196849), wk = 0.0028902 k( 156) = ( 0.5000000 0.6937432 -0.0339447), wk = 0.0028902 k( 157) = ( 0.5000000 0.6951163 -0.0482046), wk = 0.0028902 k( 158) = ( 0.5000000 0.6964894 -0.0624645), wk = 0.0028902 k( 159) = ( 0.5000000 0.6978624 -0.0767243), wk = 0.0028902 k( 160) = ( 0.5000000 0.6992355 -0.0909842), wk = 0.0028902 k( 161) = ( 0.5000000 0.7006086 -0.1052441), wk = 0.0028902 k( 162) = ( 0.5000000 0.7019816 -0.1195040), wk = 0.0028902 k( 163) = ( 0.5000000 0.7033547 -0.1337638), wk = 0.0028902 k( 164) = ( 0.5000000 0.7047278 -0.1480237), wk = 0.0028902 k( 165) = ( 0.5000000 0.7061008 -0.1622836), wk = 0.0028902 k( 166) = ( 0.5000000 0.7074739 -0.1765435), wk = 0.0028902 k( 167) = ( 0.5000000 0.7088470 -0.1908033), wk = 0.0028902 k( 168) = ( 0.5000000 0.7102201 -0.2050632), wk = 0.0028902 k( 169) = ( 0.5000000 0.7115931 -0.2193231), wk = 0.0028902 k( 170) = ( 0.5000000 0.7129662 -0.2335830), wk = 0.0028902 k( 171) = ( 0.5000000 0.7143393 -0.2478428), wk = 0.0028902 k( 172) = ( 0.5000000 0.7157123 -0.2621027), wk = 0.0028902 k( 173) = ( 0.5000000 0.7170854 -0.2763626), wk = 0.0028902 k( 174) = ( 0.5000000 0.7184585 -0.2906225), wk = 0.0028902 k( 175) = ( 0.5000000 0.7198316 -0.3048823), wk = 0.0028902 k( 176) = ( 0.5000000 0.7212046 -0.3191422), wk = 0.0028902 k( 177) = ( 0.5000000 0.7225777 -0.3334021), wk = 0.0028902 k( 178) = ( 0.5000000 0.7239508 -0.3476620), wk = 0.0028902 k( 179) = ( 0.5000000 0.7253238 -0.3619218), wk = 0.0028902 k( 180) = ( 0.5000000 0.7253238 -0.3619218), wk = 0.0028902 k( 181) = ( 0.5000000 0.7184585 -0.3729009), wk = 0.0028902 k( 182) = ( 0.5000000 0.7115931 -0.3838799), wk = 0.0028902 k( 183) = ( 0.5000000 0.7047278 -0.3948590), wk = 0.0028902 k( 184) = ( 0.5000000 0.6978624 -0.4058381), wk = 0.0028902 k( 185) = ( 0.5000000 0.6909971 -0.4168171), wk = 0.0028902 k( 186) = ( 0.5000000 0.6841317 -0.4277962), wk = 0.0028902 k( 187) = ( 0.5000000 0.6841317 -0.4277962), wk = 0.0028902 k( 188) = ( 0.4857143 0.6841317 -0.4277962), wk = 0.0028902 k( 189) = ( 0.4714286 0.6841317 -0.4277962), wk = 0.0028902 k( 190) = ( 0.4571429 0.6841317 -0.4277962), wk = 0.0028902 k( 191) = ( 0.4428571 0.6841317 -0.4277962), wk = 0.0028902 k( 192) = ( 0.4285714 0.6841317 -0.4277962), wk = 0.0028902 k( 193) = ( 0.4142857 0.6841317 -0.4277962), wk = 0.0028902 k( 194) = ( 0.4000000 0.6841317 -0.4277962), wk = 0.0028902 k( 195) = ( 0.3857143 0.6841317 -0.4277962), wk = 0.0028902 k( 196) = ( 0.3714286 0.6841317 -0.4277962), wk = 0.0028902 k( 197) = ( 0.3571429 0.6841317 -0.4277962), wk = 0.0028902 k( 198) = ( 0.3428571 0.6841317 -0.4277962), wk = 0.0028902 k( 199) = ( 0.3285714 0.6841317 -0.4277962), wk = 0.0028902 k( 200) = ( 0.3142857 0.6841317 -0.4277962), wk = 0.0028902 k( 201) = ( 0.3000000 0.6841317 -0.4277962), wk = 0.0028902 k( 202) = ( 0.2857143 0.6841317 -0.4277962), wk = 0.0028902 k( 203) = ( 0.2714286 0.6841317 -0.4277962), wk = 0.0028902 k( 204) = ( 0.2571429 0.6841317 -0.4277962), wk = 0.0028902 k( 205) = ( 0.2428571 0.6841317 -0.4277962), wk = 0.0028902 k( 206) = ( 0.2285714 0.6841317 -0.4277962), wk = 0.0028902 k( 207) = ( 0.2142857 0.6841317 -0.4277962), wk = 0.0028902 k( 208) = ( 0.2000000 0.6841317 -0.4277962), wk = 0.0028902 k( 209) = ( 0.1857143 0.6841317 -0.4277962), wk = 0.0028902 k( 210) = ( 0.1714286 0.6841317 -0.4277962), wk = 0.0028902 k( 211) = ( 0.1571429 0.6841317 -0.4277962), wk = 0.0028902 k( 212) = ( 0.1428571 0.6841317 -0.4277962), wk = 0.0028902 k( 213) = ( 0.1285714 0.6841317 -0.4277962), wk = 0.0028902 k( 214) = ( 0.1142857 0.6841317 -0.4277962), wk = 0.0028902 k( 215) = ( 0.1000000 0.6841317 -0.4277962), wk = 0.0028902 k( 216) = ( 0.0857143 0.6841317 -0.4277962), wk = 0.0028902 k( 217) = ( 0.0714286 0.6841317 -0.4277962), wk = 0.0028902 k( 218) = ( 0.0571429 0.6841317 -0.4277962), wk = 0.0028902 k( 219) = ( 0.0428571 0.6841317 -0.4277962), wk = 0.0028902 k( 220) = ( 0.0285714 0.6841317 -0.4277962), wk = 0.0028902 k( 221) = ( 0.0142857 0.6841317 -0.4277962), wk = 0.0028902 k( 222) = ( 0.0000000 0.6841317 -0.4277962), wk = 0.0028902 k( 223) = ( 0.0000000 0.6841317 -0.4277962), wk = 0.0028902 k( 224) = ( 0.0000000 0.6909971 -0.4168171), wk = 0.0028902 k( 225) = ( 0.0000000 0.6978624 -0.4058381), wk = 0.0028902 k( 226) = ( 0.0000000 0.7047278 -0.3948590), wk = 0.0028902 k( 227) = ( 0.0000000 0.7115931 -0.3838799), wk = 0.0028902 k( 228) = ( 0.0000000 0.7184585 -0.3729009), wk = 0.0028902 k( 229) = ( 0.0000000 0.7253238 -0.3619218), wk = 0.0028902 k( 230) = ( 0.5000000 0.6429396 0.4936706), wk = 0.0028902 k( 231) = ( 0.5000000 0.6286521 0.4936706), wk = 0.0028902 k( 232) = ( 0.5000000 0.6143646 0.4936706), wk = 0.0028902 k( 233) = ( 0.5000000 0.6000770 0.4936706), wk = 0.0028902 k( 234) = ( 0.5000000 0.5857895 0.4936706), wk = 0.0028902 k( 235) = ( 0.5000000 0.5715019 0.4936706), wk = 0.0028902 k( 236) = ( 0.5000000 0.5572144 0.4936706), wk = 0.0028902 k( 237) = ( 0.5000000 0.5429268 0.4936706), wk = 0.0028902 k( 238) = ( 0.5000000 0.5286393 0.4936706), wk = 0.0028902 k( 239) = ( 0.5000000 0.5143517 0.4936706), wk = 0.0028902 k( 240) = ( 0.5000000 0.5000642 0.4936706), wk = 0.0028902 k( 241) = ( 0.5000000 0.4857766 0.4936706), wk = 0.0028902 k( 242) = ( 0.5000000 0.4714891 0.4936706), wk = 0.0028902 k( 243) = ( 0.5000000 0.4572015 0.4936706), wk = 0.0028902 k( 244) = ( 0.5000000 0.4429140 0.4936706), wk = 0.0028902 k( 245) = ( 0.5000000 0.4286264 0.4936706), wk = 0.0028902 k( 246) = ( 0.5000000 0.4143389 0.4936706), wk = 0.0028902 k( 247) = ( 0.5000000 0.4000513 0.4936706), wk = 0.0028902 k( 248) = ( 0.5000000 0.3857638 0.4936706), wk = 0.0028902 k( 249) = ( 0.5000000 0.3714762 0.4936706), wk = 0.0028902 k( 250) = ( 0.5000000 0.3571887 0.4936706), wk = 0.0028902 k( 251) = ( 0.5000000 0.3429011 0.4936706), wk = 0.0028902 k( 252) = ( 0.5000000 0.3286136 0.4936706), wk = 0.0028902 k( 253) = ( 0.5000000 0.3143261 0.4936706), wk = 0.0028902 k( 254) = ( 0.5000000 0.3000385 0.4936706), wk = 0.0028902 k( 255) = ( 0.5000000 0.2857509 0.4936706), wk = 0.0028902 k( 256) = ( 0.5000000 0.2714634 0.4936706), wk = 0.0028902 k( 257) = ( 0.5000000 0.2571759 0.4936706), wk = 0.0028902 k( 258) = ( 0.5000000 0.2428883 0.4936706), wk = 0.0028902 k( 259) = ( 0.5000000 0.2286008 0.4936706), wk = 0.0028902 k( 260) = ( 0.5000000 0.2143132 0.4936706), wk = 0.0028902 k( 261) = ( 0.5000000 0.2000257 0.4936706), wk = 0.0028902 k( 262) = ( 0.5000000 0.1857381 0.4936706), wk = 0.0028902 k( 263) = ( 0.5000000 0.1714506 0.4936706), wk = 0.0028902 k( 264) = ( 0.5000000 0.1571630 0.4936706), wk = 0.0028902 k( 265) = ( 0.5000000 0.1428755 0.4936706), wk = 0.0028902 k( 266) = ( 0.5000000 0.1285879 0.4936706), wk = 0.0028902 k( 267) = ( 0.5000000 0.1143004 0.4936706), wk = 0.0028902 k( 268) = ( 0.5000000 0.1000128 0.4936706), wk = 0.0028902 k( 269) = ( 0.5000000 0.0857253 0.4936706), wk = 0.0028902 k( 270) = ( 0.5000000 0.0714377 0.4936706), wk = 0.0028902 k( 271) = ( 0.5000000 0.0571502 0.4936706), wk = 0.0028902 k( 272) = ( 0.5000000 0.0428626 0.4936706), wk = 0.0028902 k( 273) = ( 0.5000000 0.0285751 0.4936706), wk = 0.0028902 k( 274) = ( 0.5000000 0.0142875 0.4936706), wk = 0.0028902 k( 275) = ( 0.5000000 -0.0000000 0.4936706), wk = 0.0028902 k( 276) = ( 0.5000000 -0.0000000 0.4936706), wk = 0.0028902 k( 277) = ( 0.5000000 -0.0000000 0.4791509), wk = 0.0028902 k( 278) = ( 0.5000000 -0.0000000 0.4646312), wk = 0.0028902 k( 279) = ( 0.5000000 -0.0000000 0.4501114), wk = 0.0028902 k( 280) = ( 0.5000000 -0.0000000 0.4355917), wk = 0.0028902 k( 281) = ( 0.5000000 -0.0000000 0.4210720), wk = 0.0028902 k( 282) = ( 0.5000000 -0.0000000 0.4065523), wk = 0.0028902 k( 283) = ( 0.5000000 -0.0000000 0.3920325), wk = 0.0028902 k( 284) = ( 0.5000000 -0.0000000 0.3775128), wk = 0.0028902 k( 285) = ( 0.5000000 -0.0000000 0.3629931), wk = 0.0028902 k( 286) = ( 0.5000000 -0.0000000 0.3484734), wk = 0.0028902 k( 287) = ( 0.5000000 -0.0000000 0.3339536), wk = 0.0028902 k( 288) = ( 0.5000000 -0.0000000 0.3194339), wk = 0.0028902 k( 289) = ( 0.5000000 -0.0000000 0.3049142), wk = 0.0028902 k( 290) = ( 0.5000000 -0.0000000 0.2903945), wk = 0.0028902 k( 291) = ( 0.5000000 -0.0000000 0.2758747), wk = 0.0028902 k( 292) = ( 0.5000000 -0.0000000 0.2613550), wk = 0.0028902 k( 293) = ( 0.5000000 -0.0000000 0.2468353), wk = 0.0028902 k( 294) = ( 0.5000000 -0.0000000 0.2323156), wk = 0.0028902 k( 295) = ( 0.5000000 -0.0000000 0.2177959), wk = 0.0028902 k( 296) = ( 0.5000000 -0.0000000 0.2032761), wk = 0.0028902 k( 297) = ( 0.5000000 -0.0000000 0.1887564), wk = 0.0028902 k( 298) = ( 0.5000000 -0.0000000 0.1742367), wk = 0.0028902 k( 299) = ( 0.5000000 -0.0000000 0.1597170), wk = 0.0028902 k( 300) = ( 0.5000000 -0.0000000 0.1451972), wk = 0.0028902 k( 301) = ( 0.5000000 -0.0000000 0.1306775), wk = 0.0028902 k( 302) = ( 0.5000000 -0.0000000 0.1161578), wk = 0.0028902 k( 303) = ( 0.5000000 -0.0000000 0.1016381), wk = 0.0028902 k( 304) = ( 0.5000000 -0.0000000 0.0871183), wk = 0.0028902 k( 305) = ( 0.5000000 -0.0000000 0.0725986), wk = 0.0028902 k( 306) = ( 0.5000000 -0.0000000 0.0580789), wk = 0.0028902 k( 307) = ( 0.5000000 -0.0000000 0.0435592), wk = 0.0028902 k( 308) = ( 0.5000000 -0.0000000 0.0290394), wk = 0.0028902 k( 309) = ( 0.5000000 -0.0000000 0.0145197), wk = 0.0028902 k( 310) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028902 k( 311) = ( 0.0000000 0.0000000 0.4936706), wk = 0.0028902 k( 312) = ( 0.0142857 -0.0000000 0.4936706), wk = 0.0028902 k( 313) = ( 0.0285714 -0.0000000 0.4936706), wk = 0.0028902 k( 314) = ( 0.0428571 -0.0000000 0.4936706), wk = 0.0028902 k( 315) = ( 0.0571429 -0.0000000 0.4936706), wk = 0.0028902 k( 316) = ( 0.0714286 -0.0000000 0.4936706), wk = 0.0028902 k( 317) = ( 0.0857143 -0.0000000 0.4936706), wk = 0.0028902 k( 318) = ( 0.1000000 -0.0000000 0.4936706), wk = 0.0028902 k( 319) = ( 0.1142857 -0.0000000 0.4936706), wk = 0.0028902 k( 320) = ( 0.1285714 -0.0000000 0.4936706), wk = 0.0028902 k( 321) = ( 0.1428571 -0.0000000 0.4936706), wk = 0.0028902 k( 322) = ( 0.1571429 -0.0000000 0.4936706), wk = 0.0028902 k( 323) = ( 0.1714286 -0.0000000 0.4936706), wk = 0.0028902 k( 324) = ( 0.1857143 -0.0000000 0.4936706), wk = 0.0028902 k( 325) = ( 0.2000000 -0.0000000 0.4936706), wk = 0.0028902 k( 326) = ( 0.2142857 -0.0000000 0.4936706), wk = 0.0028902 k( 327) = ( 0.2285714 -0.0000000 0.4936706), wk = 0.0028902 k( 328) = ( 0.2428571 -0.0000000 0.4936706), wk = 0.0028902 k( 329) = ( 0.2571429 -0.0000000 0.4936706), wk = 0.0028902 k( 330) = ( 0.2714286 -0.0000000 0.4936706), wk = 0.0028902 k( 331) = ( 0.2857143 -0.0000000 0.4936706), wk = 0.0028902 k( 332) = ( 0.3000000 -0.0000000 0.4936706), wk = 0.0028902 k( 333) = ( 0.3142857 -0.0000000 0.4936706), wk = 0.0028902 k( 334) = ( 0.3285714 -0.0000000 0.4936706), wk = 0.0028902 k( 335) = ( 0.3428571 -0.0000000 0.4936706), wk = 0.0028902 k( 336) = ( 0.3571429 -0.0000000 0.4936706), wk = 0.0028902 k( 337) = ( 0.3714286 -0.0000000 0.4936706), wk = 0.0028902 k( 338) = ( 0.3857143 -0.0000000 0.4936706), wk = 0.0028902 k( 339) = ( 0.4000000 -0.0000000 0.4936706), wk = 0.0028902 k( 340) = ( 0.4142857 -0.0000000 0.4936706), wk = 0.0028902 k( 341) = ( 0.4285714 -0.0000000 0.4936706), wk = 0.0028902 k( 342) = ( 0.4428571 -0.0000000 0.4936706), wk = 0.0028902 k( 343) = ( 0.4571429 -0.0000000 0.4936706), wk = 0.0028902 k( 344) = ( 0.4714286 -0.0000000 0.4936706), wk = 0.0028902 k( 345) = ( 0.4857143 -0.0000000 0.4936706), wk = 0.0028902 k( 346) = ( 0.5000000 -0.0000000 0.4936706), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0028902 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0028902 k( 4) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0028902 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0028902 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0028902 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0028902 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0028902 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0028902 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0028902 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0028902 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0028902 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0028902 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0028902 k( 15) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0028902 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0028902 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0028902 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028902 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0028902 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0028902 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0028902 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0028902 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0028902 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0028902 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0028902 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0028902 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0028902 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0028902 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0028902 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0028902 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0028902 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0028902 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0028902 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0028902 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 37) = ( 0.0000000 0.0104421 0.5090487), wk = 0.0028902 k( 38) = ( 0.0000000 0.0208842 0.5180975), wk = 0.0028902 k( 39) = ( 0.0000000 0.0313263 0.5271462), wk = 0.0028902 k( 40) = ( 0.0000000 0.0417684 0.5361949), wk = 0.0028902 k( 41) = ( 0.0000000 0.0522105 0.5452436), wk = 0.0028902 k( 42) = ( 0.0000000 0.0626526 0.5542924), wk = 0.0028902 k( 43) = ( 0.0000000 0.0730947 0.5633411), wk = 0.0028902 k( 44) = ( 0.0000000 0.0835368 0.5723898), wk = 0.0028902 k( 45) = ( 0.0000000 0.0939789 0.5814386), wk = 0.0028902 k( 46) = ( 0.0000000 0.1044210 0.5904873), wk = 0.0028902 k( 47) = ( 0.0000000 0.1148631 0.5995360), wk = 0.0028902 k( 48) = ( 0.0000000 0.1253052 0.6085848), wk = 0.0028902 k( 49) = ( 0.0000000 0.1357473 0.6176335), wk = 0.0028902 k( 50) = ( 0.0000000 0.1461894 0.6266822), wk = 0.0028902 k( 51) = ( 0.0000000 0.1566315 0.6357310), wk = 0.0028902 k( 52) = ( 0.0000000 0.1670736 0.6447797), wk = 0.0028902 k( 53) = ( 0.0000000 0.1775157 0.6538284), wk = 0.0028902 k( 54) = ( 0.0000000 0.1879579 0.6628771), wk = 0.0028902 k( 55) = ( 0.0000000 0.1983999 0.6719259), wk = 0.0028902 k( 56) = ( 0.0000000 0.2088421 0.6809746), wk = 0.0028902 k( 57) = ( 0.0000000 0.2192842 0.6900233), wk = 0.0028902 k( 58) = ( 0.0000000 0.2297263 0.6990721), wk = 0.0028902 k( 59) = ( 0.0000000 0.2401684 0.7081208), wk = 0.0028902 k( 60) = ( 0.0000000 0.2506105 0.7171695), wk = 0.0028902 k( 61) = ( 0.0000000 0.2610526 0.7262182), wk = 0.0028902 k( 62) = ( 0.0000000 0.2714947 0.7352670), wk = 0.0028902 k( 63) = ( 0.0000000 0.2819368 0.7443157), wk = 0.0028902 k( 64) = ( 0.0000000 0.2923789 0.7533644), wk = 0.0028902 k( 65) = ( 0.0000000 0.3028210 0.7624132), wk = 0.0028902 k( 66) = ( 0.0000000 0.3132631 0.7714619), wk = 0.0028902 k( 67) = ( 0.0000000 0.3237052 0.7805106), wk = 0.0028902 k( 68) = ( 0.0000000 0.3341473 0.7895594), wk = 0.0028902 k( 69) = ( 0.0000000 0.3445894 0.7986081), wk = 0.0028902 k( 70) = ( 0.0000000 0.3550315 0.8076568), wk = 0.0028902 k( 71) = ( 0.0000000 0.3654736 0.8167056), wk = 0.0028902 k( 72) = ( 0.0000000 0.3759157 0.8257543), wk = 0.0028902 k( 73) = ( 0.0000000 0.3863578 0.8348030), wk = 0.0028902 k( 74) = ( 0.0000000 0.3967999 0.8438517), wk = 0.0028902 k( 75) = ( 0.0000000 0.4072420 0.8529005), wk = 0.0028902 k( 76) = ( 0.0000000 0.4176841 0.8619492), wk = 0.0028902 k( 77) = ( 0.0000000 0.4281262 0.8709979), wk = 0.0028902 k( 78) = ( 0.0000000 0.4385683 0.8800467), wk = 0.0028902 k( 79) = ( 0.0000000 0.4490104 0.8890954), wk = 0.0028902 k( 80) = ( 0.0000000 0.4594525 0.8981441), wk = 0.0028902 k( 81) = ( 0.0000000 0.4698946 0.9071929), wk = 0.0028902 k( 82) = ( 0.0000000 0.4698946 0.9071929), wk = 0.0028902 k( 83) = ( 0.0000000 0.4708981 0.8936197), wk = 0.0028902 k( 84) = ( 0.0000000 0.4719017 0.8800467), wk = 0.0028902 k( 85) = ( 0.0000000 0.4729052 0.8664736), wk = 0.0028902 k( 86) = ( 0.0000000 0.4739087 0.8529005), wk = 0.0028902 k( 87) = ( 0.0000000 0.4749122 0.8393274), wk = 0.0028902 k( 88) = ( 0.0000000 0.4759157 0.8257543), wk = 0.0028902 k( 89) = ( 0.0000000 0.4769192 0.8121812), wk = 0.0028902 k( 90) = ( 0.0000000 0.4779227 0.7986081), wk = 0.0028902 k( 91) = ( 0.0000000 0.4789262 0.7850350), wk = 0.0028902 k( 92) = ( 0.0000000 0.4799297 0.7714619), wk = 0.0028902 k( 93) = ( 0.0000000 0.4809333 0.7578888), wk = 0.0028902 k( 94) = ( 0.0000000 0.4819368 0.7443157), wk = 0.0028902 k( 95) = ( 0.0000000 0.4829403 0.7307426), wk = 0.0028902 k( 96) = ( 0.0000000 0.4839438 0.7171695), wk = 0.0028902 k( 97) = ( 0.0000000 0.4849473 0.7035964), wk = 0.0028902 k( 98) = ( 0.0000000 0.4859508 0.6900233), wk = 0.0028902 k( 99) = ( 0.0000000 0.4869543 0.6764502), wk = 0.0028902 k( 100) = ( 0.0000000 0.4879579 0.6628771), wk = 0.0028902 k( 101) = ( 0.0000000 0.4889614 0.6493040), wk = 0.0028902 k( 102) = ( 0.0000000 0.4899649 0.6357310), wk = 0.0028902 k( 103) = ( 0.0000000 0.4909684 0.6221579), wk = 0.0028902 k( 104) = ( 0.0000000 0.4919719 0.6085848), wk = 0.0028902 k( 105) = ( 0.0000000 0.4929754 0.5950117), wk = 0.0028902 k( 106) = ( 0.0000000 0.4939789 0.5814386), wk = 0.0028902 k( 107) = ( 0.0000000 0.4949824 0.5678655), wk = 0.0028902 k( 108) = ( 0.0000000 0.4959860 0.5542924), wk = 0.0028902 k( 109) = ( 0.0000000 0.4969895 0.5407193), wk = 0.0028902 k( 110) = ( 0.0000000 0.4979930 0.5271462), wk = 0.0028902 k( 111) = ( 0.0000000 0.4989965 0.5135731), wk = 0.0028902 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 114) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0028902 k( 115) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0028902 k( 116) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0028902 k( 117) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0028902 k( 118) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0028902 k( 119) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0028902 k( 120) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028902 k( 121) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0028902 k( 122) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0028902 k( 123) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0028902 k( 124) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0028902 k( 125) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0028902 k( 126) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0028902 k( 127) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028902 k( 128) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0028902 k( 129) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0028902 k( 130) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0028902 k( 131) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0028902 k( 132) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0028902 k( 133) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0028902 k( 134) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028902 k( 135) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0028902 k( 136) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0028902 k( 137) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0028902 k( 138) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0028902 k( 139) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0028902 k( 140) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0028902 k( 141) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028902 k( 142) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0028902 k( 143) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0028902 k( 144) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0028902 k( 145) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0028902 k( 146) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0028902 k( 147) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0028902 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 150) = ( 0.5000000 0.5010035 0.4864269), wk = 0.0028902 k( 151) = ( 0.5000000 0.5020070 0.4728538), wk = 0.0028902 k( 152) = ( 0.5000000 0.5030105 0.4592807), wk = 0.0028902 k( 153) = ( 0.5000000 0.5040140 0.4457076), wk = 0.0028902 k( 154) = ( 0.5000000 0.5050176 0.4321345), wk = 0.0028902 k( 155) = ( 0.5000000 0.5060211 0.4185614), wk = 0.0028902 k( 156) = ( 0.5000000 0.5070246 0.4049883), wk = 0.0028902 k( 157) = ( 0.5000000 0.5080281 0.3914152), wk = 0.0028902 k( 158) = ( 0.5000000 0.5090316 0.3778421), wk = 0.0028902 k( 159) = ( 0.5000000 0.5100351 0.3642691), wk = 0.0028902 k( 160) = ( 0.5000000 0.5110386 0.3506960), wk = 0.0028902 k( 161) = ( 0.5000000 0.5120421 0.3371229), wk = 0.0028902 k( 162) = ( 0.5000000 0.5130457 0.3235498), wk = 0.0028902 k( 163) = ( 0.5000000 0.5140492 0.3099767), wk = 0.0028902 k( 164) = ( 0.5000000 0.5150527 0.2964036), wk = 0.0028902 k( 165) = ( 0.5000000 0.5160562 0.2828305), wk = 0.0028902 k( 166) = ( 0.5000000 0.5170597 0.2692574), wk = 0.0028902 k( 167) = ( 0.5000000 0.5180632 0.2556843), wk = 0.0028902 k( 168) = ( 0.5000000 0.5190667 0.2421112), wk = 0.0028902 k( 169) = ( 0.5000000 0.5200702 0.2285381), wk = 0.0028902 k( 170) = ( 0.5000000 0.5210738 0.2149650), wk = 0.0028902 k( 171) = ( 0.5000000 0.5220773 0.2013919), wk = 0.0028902 k( 172) = ( 0.5000000 0.5230808 0.1878188), wk = 0.0028902 k( 173) = ( 0.5000000 0.5240843 0.1742457), wk = 0.0028902 k( 174) = ( 0.5000000 0.5250878 0.1606726), wk = 0.0028902 k( 175) = ( 0.5000000 0.5260913 0.1470995), wk = 0.0028902 k( 176) = ( 0.5000000 0.5270948 0.1335264), wk = 0.0028902 k( 177) = ( 0.5000000 0.5280984 0.1199533), wk = 0.0028902 k( 178) = ( 0.5000000 0.5291019 0.1063803), wk = 0.0028902 k( 179) = ( 0.5000000 0.5301054 0.0928072), wk = 0.0028902 k( 180) = ( 0.5000000 0.5301054 0.0928072), wk = 0.0028902 k( 181) = ( 0.5000000 0.5250878 0.0773393), wk = 0.0028902 k( 182) = ( 0.5000000 0.5200702 0.0618714), wk = 0.0028902 k( 183) = ( 0.5000000 0.5150527 0.0464036), wk = 0.0028902 k( 184) = ( 0.5000000 0.5100351 0.0309357), wk = 0.0028902 k( 185) = ( 0.5000000 0.5050176 0.0154679), wk = 0.0028902 k( 186) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 187) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 188) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0028902 k( 189) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0028902 k( 190) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0028902 k( 191) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0028902 k( 192) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0028902 k( 193) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0028902 k( 194) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028902 k( 195) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0028902 k( 196) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0028902 k( 197) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0028902 k( 198) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0028902 k( 199) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0028902 k( 200) = ( 0.3142857 0.5000000 0.0000000), wk = 0.0028902 k( 201) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0028902 k( 202) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0028902 k( 203) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0028902 k( 204) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0028902 k( 205) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0028902 k( 206) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0028902 k( 207) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0028902 k( 208) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028902 k( 209) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0028902 k( 210) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0028902 k( 211) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0028902 k( 212) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0028902 k( 213) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0028902 k( 214) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0028902 k( 215) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028902 k( 216) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0028902 k( 217) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0028902 k( 218) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0028902 k( 219) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0028902 k( 220) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0028902 k( 221) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0028902 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 223) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 224) = ( 0.0000000 0.5050176 0.0154679), wk = 0.0028902 k( 225) = ( 0.0000000 0.5100351 0.0309357), wk = 0.0028902 k( 226) = ( 0.0000000 0.5150527 0.0464036), wk = 0.0028902 k( 227) = ( 0.0000000 0.5200702 0.0618714), wk = 0.0028902 k( 228) = ( 0.0000000 0.5250878 0.0773393), wk = 0.0028902 k( 229) = ( 0.0000000 0.5301054 0.0928071), wk = 0.0028902 k( 230) = ( 0.5000000 0.4698946 0.9071929), wk = 0.0028902 k( 231) = ( 0.5000000 0.4594525 0.8981441), wk = 0.0028902 k( 232) = ( 0.5000000 0.4490104 0.8890954), wk = 0.0028902 k( 233) = ( 0.5000000 0.4385683 0.8800467), wk = 0.0028902 k( 234) = ( 0.5000000 0.4281262 0.8709979), wk = 0.0028902 k( 235) = ( 0.5000000 0.4176841 0.8619492), wk = 0.0028902 k( 236) = ( 0.5000000 0.4072420 0.8529005), wk = 0.0028902 k( 237) = ( 0.5000000 0.3967999 0.8438517), wk = 0.0028902 k( 238) = ( 0.5000000 0.3863578 0.8348030), wk = 0.0028902 k( 239) = ( 0.5000000 0.3759157 0.8257543), wk = 0.0028902 k( 240) = ( 0.5000000 0.3654736 0.8167056), wk = 0.0028902 k( 241) = ( 0.5000000 0.3550315 0.8076568), wk = 0.0028902 k( 242) = ( 0.5000000 0.3445894 0.7986081), wk = 0.0028902 k( 243) = ( 0.5000000 0.3341473 0.7895594), wk = 0.0028902 k( 244) = ( 0.5000000 0.3237052 0.7805106), wk = 0.0028902 k( 245) = ( 0.5000000 0.3132631 0.7714619), wk = 0.0028902 k( 246) = ( 0.5000000 0.3028210 0.7624132), wk = 0.0028902 k( 247) = ( 0.5000000 0.2923789 0.7533644), wk = 0.0028902 k( 248) = ( 0.5000000 0.2819368 0.7443157), wk = 0.0028902 k( 249) = ( 0.5000000 0.2714947 0.7352670), wk = 0.0028902 k( 250) = ( 0.5000000 0.2610526 0.7262182), wk = 0.0028902 k( 251) = ( 0.5000000 0.2506105 0.7171695), wk = 0.0028902 k( 252) = ( 0.5000000 0.2401684 0.7081208), wk = 0.0028902 k( 253) = ( 0.5000000 0.2297263 0.6990721), wk = 0.0028902 k( 254) = ( 0.5000000 0.2192842 0.6900233), wk = 0.0028902 k( 255) = ( 0.5000000 0.2088421 0.6809746), wk = 0.0028902 k( 256) = ( 0.5000000 0.1983999 0.6719259), wk = 0.0028902 k( 257) = ( 0.5000000 0.1879579 0.6628771), wk = 0.0028902 k( 258) = ( 0.5000000 0.1775157 0.6538284), wk = 0.0028902 k( 259) = ( 0.5000000 0.1670736 0.6447797), wk = 0.0028902 k( 260) = ( 0.5000000 0.1566315 0.6357310), wk = 0.0028902 k( 261) = ( 0.5000000 0.1461894 0.6266822), wk = 0.0028902 k( 262) = ( 0.5000000 0.1357473 0.6176335), wk = 0.0028902 k( 263) = ( 0.5000000 0.1253052 0.6085848), wk = 0.0028902 k( 264) = ( 0.5000000 0.1148631 0.5995360), wk = 0.0028902 k( 265) = ( 0.5000000 0.1044210 0.5904873), wk = 0.0028902 k( 266) = ( 0.5000000 0.0939789 0.5814386), wk = 0.0028902 k( 267) = ( 0.5000000 0.0835368 0.5723898), wk = 0.0028902 k( 268) = ( 0.5000000 0.0730947 0.5633411), wk = 0.0028902 k( 269) = ( 0.5000000 0.0626526 0.5542924), wk = 0.0028902 k( 270) = ( 0.5000000 0.0522105 0.5452436), wk = 0.0028902 k( 271) = ( 0.5000000 0.0417684 0.5361949), wk = 0.0028902 k( 272) = ( 0.5000000 0.0313263 0.5271462), wk = 0.0028902 k( 273) = ( 0.5000000 0.0208842 0.5180975), wk = 0.0028902 k( 274) = ( 0.5000000 0.0104421 0.5090487), wk = 0.0028902 k( 275) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 277) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0028902 k( 278) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0028902 k( 279) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0028902 k( 280) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0028902 k( 281) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0028902 k( 282) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0028902 k( 283) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0028902 k( 284) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0028902 k( 285) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0028902 k( 286) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0028902 k( 287) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0028902 k( 288) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0028902 k( 289) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0028902 k( 290) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0028902 k( 291) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0028902 k( 292) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0028902 k( 293) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028902 k( 294) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0028902 k( 295) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0028902 k( 296) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0028902 k( 297) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0028902 k( 298) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0028902 k( 299) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0028902 k( 300) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0028902 k( 301) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0028902 k( 302) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0028902 k( 303) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0028902 k( 304) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0028902 k( 305) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0028902 k( 306) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0028902 k( 307) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0028902 k( 308) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0028902 k( 309) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0028902 k( 310) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 311) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 312) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0028902 k( 313) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0028902 k( 314) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0028902 k( 315) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0028902 k( 316) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0028902 k( 317) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0028902 k( 318) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0028902 k( 319) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0028902 k( 320) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0028902 k( 321) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0028902 k( 322) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0028902 k( 323) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0028902 k( 324) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0028902 k( 325) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0028902 k( 326) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0028902 k( 327) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0028902 k( 328) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0028902 k( 329) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0028902 k( 330) = ( 0.2714286 0.0000000 0.5000000), wk = 0.0028902 k( 331) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0028902 k( 332) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0028902 k( 333) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0028902 k( 334) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0028902 k( 335) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0028902 k( 336) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0028902 k( 337) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0028902 k( 338) = ( 0.3857143 0.0000000 0.5000000), wk = 0.0028902 k( 339) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0028902 k( 340) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0028902 k( 341) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028902 k( 342) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0028902 k( 343) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0028902 k( 344) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0028902 k( 345) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 45395 G-vectors FFT dimensions: ( 50, 36, 60) Smooth grid: 22777 G-vectors FFT dimensions: ( 40, 30, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 172, 60) NL pseudopotentials 0.16 Mb ( 86, 124) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1263) G-vector shells 0.01 Mb ( 1239) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 172, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.23 Mb ( 124, 2, 60) The potential is recalculated from file : ./AgF2.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 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.5 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.1 secs Computing kpt #: 15 total cpu time spent up to now is 6.5 secs Computing kpt #: 16 total cpu time spent up to now is 6.8 secs Computing kpt #: 17 total cpu time spent up to now is 7.1 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.8 secs Computing kpt #: 20 total cpu time spent up to now is 8.1 secs Computing kpt #: 21 total cpu time spent up to now is 8.5 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.1 secs Computing kpt #: 24 total cpu time spent up to now is 9.5 secs Computing kpt #: 25 total cpu time spent up to now is 9.8 secs Computing kpt #: 26 total cpu time spent up to now is 10.1 secs Computing kpt #: 27 total cpu time spent up to now is 10.5 secs Computing kpt #: 28 total cpu time spent up to now is 10.8 secs Computing kpt #: 29 total cpu time spent up to now is 11.2 secs Computing kpt #: 30 total cpu time spent up to now is 11.5 secs Computing kpt #: 31 total cpu time spent up to now is 11.8 secs Computing kpt #: 32 total cpu time spent up to now is 12.2 secs Computing kpt #: 33 total cpu time spent up to now is 12.5 secs Computing kpt #: 34 total cpu time spent up to now is 12.8 secs Computing kpt #: 35 total cpu time spent up to now is 13.2 secs Computing kpt #: 36 total cpu time spent up to now is 13.5 secs Computing kpt #: 37 total cpu time spent up to now is 13.8 secs Computing kpt #: 38 total cpu time spent up to now is 14.2 secs Computing kpt #: 39 total cpu time spent up to now is 14.5 secs Computing kpt #: 40 total cpu time spent up to now is 14.8 secs Computing kpt #: 41 total cpu time spent up to now is 15.1 secs Computing kpt #: 42 total cpu time spent up to now is 15.5 secs Computing kpt #: 43 total cpu time spent up to now is 15.8 secs Computing kpt #: 44 total cpu time spent up to now is 16.2 secs Computing kpt #: 45 total cpu time spent up to now is 16.5 secs Computing kpt #: 46 total cpu time spent up to now is 16.8 secs Computing kpt #: 47 total cpu time spent up to now is 17.2 secs Computing kpt #: 48 total cpu time spent up to now is 17.5 secs Computing kpt #: 49 total cpu time spent up to now is 17.9 secs Computing kpt #: 50 total cpu time spent up to now is 18.2 secs Computing kpt #: 51 total cpu time spent up to now is 18.5 secs Computing kpt #: 52 total cpu time spent up to now is 18.9 secs Computing kpt #: 53 total cpu time spent up to now is 19.2 secs Computing kpt #: 54 total cpu time spent up to now is 19.6 secs Computing kpt #: 55 total cpu time spent up to now is 19.9 secs Computing kpt #: 56 total cpu time spent up to now is 20.3 secs Computing kpt #: 57 total cpu time spent up to now is 20.6 secs Computing kpt #: 58 total cpu time spent up to now is 21.0 secs Computing kpt #: 59 total cpu time spent up to now is 21.3 secs Computing kpt #: 60 total cpu time spent up to now is 21.7 secs Computing kpt #: 61 total cpu time spent up to now is 22.1 secs Computing kpt #: 62 total cpu time spent up to now is 22.4 secs Computing kpt #: 63 total cpu time spent up to now is 22.8 secs Computing kpt #: 64 total cpu time spent up to now is 23.1 secs Computing kpt #: 65 total cpu time spent up to now is 23.5 secs Computing kpt #: 66 total cpu time spent up to now is 23.9 secs Computing kpt #: 67 total cpu time spent up to now is 24.2 secs Computing kpt #: 68 total cpu time spent up to now is 24.6 secs Computing kpt #: 69 total cpu time spent up to now is 25.0 secs Computing kpt #: 70 total cpu time spent up to now is 25.3 secs Computing kpt #: 71 total cpu time spent up to now is 25.7 secs Computing kpt #: 72 total cpu time spent up to now is 26.0 secs Computing kpt #: 73 total cpu time spent up to now is 26.3 secs Computing kpt #: 74 total cpu time spent up to now is 26.7 secs Computing kpt #: 75 total cpu time spent up to now is 27.0 secs Computing kpt #: 76 total cpu time spent up to now is 27.4 secs Computing kpt #: 77 total cpu time spent up to now is 27.7 secs Computing kpt #: 78 total cpu time spent up to now is 28.0 secs Computing kpt #: 79 total cpu time spent up to now is 28.3 secs Computing kpt #: 80 total cpu time spent up to now is 28.7 secs Computing kpt #: 81 total cpu time spent up to now is 29.0 secs Computing kpt #: 82 total cpu time spent up to now is 29.3 secs Computing kpt #: 83 total cpu time spent up to now is 29.7 secs Computing kpt #: 84 total cpu time spent up to now is 30.0 secs Computing kpt #: 85 total cpu time spent up to now is 30.3 secs Computing kpt #: 86 total cpu time spent up to now is 30.7 secs Computing kpt #: 87 total cpu time spent up to now is 31.0 secs Computing kpt #: 88 total cpu time spent up to now is 31.3 secs Computing kpt #: 89 total cpu time spent up to now is 31.7 secs Computing kpt #: 90 total cpu time spent up to now is 32.0 secs Computing kpt #: 91 total cpu time spent up to now is 32.3 secs Computing kpt #: 92 total cpu time spent up to now is 32.7 secs Computing kpt #: 93 total cpu time spent up to now is 33.1 secs Computing kpt #: 94 total cpu time spent up to now is 33.4 secs Computing kpt #: 95 total cpu time spent up to now is 33.8 secs Computing kpt #: 96 total cpu time spent up to now is 34.2 secs Computing kpt #: 97 total cpu time spent up to now is 34.5 secs Computing kpt #: 98 total cpu time spent up to now is 34.9 secs Computing kpt #: 99 total cpu time spent up to now is 35.3 secs Computing kpt #: 100 total cpu time spent up to now is 35.7 secs Computing kpt #: 101 total cpu time spent up to now is 36.1 secs Computing kpt #: 102 total cpu time spent up to now is 36.5 secs Computing kpt #: 103 total cpu time spent up to now is 36.9 secs Computing kpt #: 104 total cpu time spent up to now is 37.3 secs Computing kpt #: 105 total cpu time spent up to now is 37.7 secs Computing kpt #: 106 total cpu time spent up to now is 38.0 secs Computing kpt #: 107 total cpu time spent up to now is 38.4 secs Computing kpt #: 108 total cpu time spent up to now is 38.8 secs Computing kpt #: 109 total cpu time spent up to now is 39.1 secs Computing kpt #: 110 total cpu time spent up to now is 39.5 secs Computing kpt #: 111 total cpu time spent up to now is 39.8 secs Computing kpt #: 112 total cpu time spent up to now is 40.2 secs Computing kpt #: 113 total cpu time spent up to now is 40.6 secs Computing kpt #: 114 total cpu time spent up to now is 40.9 secs Computing kpt #: 115 total cpu time spent up to now is 41.3 secs Computing kpt #: 116 total cpu time spent up to now is 41.6 secs Computing kpt #: 117 total cpu time spent up to now is 42.0 secs Computing kpt #: 118 total cpu time spent up to now is 42.3 secs Computing kpt #: 119 total cpu time spent up to now is 42.7 secs Computing kpt #: 120 total cpu time spent up to now is 43.1 secs Computing kpt #: 121 total cpu time spent up to now is 43.4 secs Computing kpt #: 122 total cpu time spent up to now is 43.8 secs Computing kpt #: 123 total cpu time spent up to now is 44.2 secs Computing kpt #: 124 total cpu time spent up to now is 44.5 secs Computing kpt #: 125 total cpu time spent up to now is 44.9 secs Computing kpt #: 126 total cpu time spent up to now is 45.2 secs Computing kpt #: 127 total cpu time spent up to now is 45.6 secs Computing kpt #: 128 total cpu time spent up to now is 46.0 secs Computing kpt #: 129 total cpu time spent up to now is 46.3 secs Computing kpt #: 130 total cpu time spent up to now is 46.7 secs Computing kpt #: 131 total cpu time spent up to now is 47.0 secs Computing kpt #: 132 total cpu time spent up to now is 47.4 secs Computing kpt #: 133 total cpu time spent up to now is 47.7 secs Computing kpt #: 134 total cpu time spent up to now is 48.1 secs Computing kpt #: 135 total cpu time spent up to now is 48.4 secs Computing kpt #: 136 total cpu time spent up to now is 48.8 secs Computing kpt #: 137 total cpu time spent up to now is 49.1 secs Computing kpt #: 138 total cpu time spent up to now is 49.4 secs Computing kpt #: 139 total cpu time spent up to now is 49.8 secs Computing kpt #: 140 total cpu time spent up to now is 50.1 secs Computing kpt #: 141 total cpu time spent up to now is 50.4 secs Computing kpt #: 142 total cpu time spent up to now is 50.7 secs Computing kpt #: 143 total cpu time spent up to now is 51.1 secs Computing kpt #: 144 total cpu time spent up to now is 51.4 secs Computing kpt #: 145 total cpu time spent up to now is 51.7 secs Computing kpt #: 146 total cpu time spent up to now is 52.0 secs Computing kpt #: 147 total cpu time spent up to now is 52.3 secs Computing kpt #: 148 total cpu time spent up to now is 52.7 secs Computing kpt #: 149 total cpu time spent up to now is 53.0 secs Computing kpt #: 150 total cpu time spent up to now is 53.3 secs Computing kpt #: 151 total cpu time spent up to now is 53.6 secs Computing kpt #: 152 total cpu time spent up to now is 53.9 secs Computing kpt #: 153 total cpu time spent up to now is 54.2 secs Computing kpt #: 154 total cpu time spent up to now is 54.6 secs Computing kpt #: 155 total cpu time spent up to now is 54.9 secs Computing kpt #: 156 total cpu time spent up to now is 55.2 secs Computing kpt #: 157 total cpu time spent up to now is 55.6 secs Computing kpt #: 158 total cpu time spent up to now is 55.9 secs Computing kpt #: 159 total cpu time spent up to now is 56.2 secs Computing kpt #: 160 total cpu time spent up to now is 56.6 secs Computing kpt #: 161 total cpu time spent up to now is 56.9 secs Computing kpt #: 162 total cpu time spent up to now is 57.3 secs Computing kpt #: 163 total cpu time spent up to now is 57.6 secs Computing kpt #: 164 total cpu time spent up to now is 57.9 secs Computing kpt #: 165 total cpu time spent up to now is 58.3 secs Computing kpt #: 166 total cpu time spent up to now is 58.7 secs Computing kpt #: 167 total cpu time spent up to now is 59.0 secs Computing kpt #: 168 total cpu time spent up to now is 59.3 secs Computing kpt #: 169 total cpu time spent up to now is 59.7 secs Computing kpt #: 170 total cpu time spent up to now is 60.1 secs Computing kpt #: 171 total cpu time spent up to now is 60.4 secs Computing kpt #: 172 total cpu time spent up to now is 60.8 secs Computing kpt #: 173 total cpu time spent up to now is 61.1 secs Computing kpt #: 174 total cpu time spent up to now is 61.5 secs Computing kpt #: 175 total cpu time spent up to now is 61.9 secs Computing kpt #: 176 total cpu time spent up to now is 62.2 secs Computing kpt #: 177 total cpu time spent up to now is 62.6 secs Computing kpt #: 178 total cpu time spent up to now is 63.0 secs Computing kpt #: 179 total cpu time spent up to now is 63.4 secs Computing kpt #: 180 total cpu time spent up to now is 63.7 secs Computing kpt #: 181 total cpu time spent up to now is 64.1 secs Computing kpt #: 182 total cpu time spent up to now is 64.5 secs Computing kpt #: 183 total cpu time spent up to now is 64.9 secs Computing kpt #: 184 total cpu time spent up to now is 65.3 secs Computing kpt #: 185 total cpu time spent up to now is 65.6 secs Computing kpt #: 186 total cpu time spent up to now is 66.0 secs Computing kpt #: 187 total cpu time spent up to now is 66.4 secs Computing kpt #: 188 total cpu time spent up to now is 66.8 secs Computing kpt #: 189 total cpu time spent up to now is 67.1 secs Computing kpt #: 190 total cpu time spent up to now is 67.5 secs Computing kpt #: 191 total cpu time spent up to now is 67.9 secs Computing kpt #: 192 total cpu time spent up to now is 68.3 secs Computing kpt #: 193 total cpu time spent up to now is 68.6 secs Computing kpt #: 194 total cpu time spent up to now is 69.0 secs Computing kpt #: 195 total cpu time spent up to now is 69.4 secs Computing kpt #: 196 total cpu time spent up to now is 69.7 secs Computing kpt #: 197 total cpu time spent up to now is 70.1 secs Computing kpt #: 198 total cpu time spent up to now is 70.4 secs Computing kpt #: 199 total cpu time spent up to now is 70.8 secs Computing kpt #: 200 total cpu time spent up to now is 71.2 secs Computing kpt #: 201 total cpu time spent up to now is 71.5 secs Computing kpt #: 202 total cpu time spent up to now is 71.9 secs Computing kpt #: 203 total cpu time spent up to now is 72.2 secs Computing kpt #: 204 total cpu time spent up to now is 72.6 secs Computing kpt #: 205 total cpu time spent up to now is 72.9 secs Computing kpt #: 206 total cpu time spent up to now is 73.3 secs Computing kpt #: 207 total cpu time spent up to now is 73.6 secs Computing kpt #: 208 total cpu time spent up to now is 73.9 secs Computing kpt #: 209 total cpu time spent up to now is 74.3 secs Computing kpt #: 210 total cpu time spent up to now is 74.6 secs Computing kpt #: 211 total cpu time spent up to now is 74.9 secs Computing kpt #: 212 total cpu time spent up to now is 75.3 secs Computing kpt #: 213 total cpu time spent up to now is 75.6 secs Computing kpt #: 214 total cpu time spent up to now is 75.9 secs Computing kpt #: 215 total cpu time spent up to now is 76.3 secs Computing kpt #: 216 total cpu time spent up to now is 76.6 secs Computing kpt #: 217 total cpu time spent up to now is 76.9 secs Computing kpt #: 218 total cpu time spent up to now is 77.2 secs Computing kpt #: 219 total cpu time spent up to now is 77.5 secs Computing kpt #: 220 total cpu time spent up to now is 77.9 secs Computing kpt #: 221 total cpu time spent up to now is 78.2 secs Computing kpt #: 222 total cpu time spent up to now is 78.5 secs Computing kpt #: 223 total cpu time spent up to now is 78.8 secs Computing kpt #: 224 total cpu time spent up to now is 79.1 secs Computing kpt #: 225 total cpu time spent up to now is 79.4 secs Computing kpt #: 226 total cpu time spent up to now is 79.7 secs Computing kpt #: 227 total cpu time spent up to now is 80.1 secs Computing kpt #: 228 total cpu time spent up to now is 80.4 secs Computing kpt #: 229 total cpu time spent up to now is 80.7 secs Computing kpt #: 230 total cpu time spent up to now is 81.1 secs Computing kpt #: 231 total cpu time spent up to now is 81.5 secs Computing kpt #: 232 total cpu time spent up to now is 81.8 secs Computing kpt #: 233 total cpu time spent up to now is 82.2 secs Computing kpt #: 234 total cpu time spent up to now is 82.6 secs Computing kpt #: 235 total cpu time spent up to now is 82.9 secs Computing kpt #: 236 total cpu time spent up to now is 83.3 secs Computing kpt #: 237 total cpu time spent up to now is 83.6 secs Computing kpt #: 238 total cpu time spent up to now is 84.0 secs Computing kpt #: 239 total cpu time spent up to now is 84.3 secs Computing kpt #: 240 total cpu time spent up to now is 84.7 secs Computing kpt #: 241 total cpu time spent up to now is 85.0 secs Computing kpt #: 242 total cpu time spent up to now is 85.4 secs Computing kpt #: 243 total cpu time spent up to now is 85.7 secs Computing kpt #: 244 total cpu time spent up to now is 86.1 secs Computing kpt #: 245 total cpu time spent up to now is 86.4 secs Computing kpt #: 246 total cpu time spent up to now is 86.7 secs Computing kpt #: 247 total cpu time spent up to now is 87.0 secs Computing kpt #: 248 total cpu time spent up to now is 87.4 secs Computing kpt #: 249 total cpu time spent up to now is 87.7 secs Computing kpt #: 250 total cpu time spent up to now is 88.0 secs Computing kpt #: 251 total cpu time spent up to now is 88.4 secs Computing kpt #: 252 total cpu time spent up to now is 88.7 secs Computing kpt #: 253 total cpu time spent up to now is 89.0 secs Computing kpt #: 254 total cpu time spent up to now is 89.3 secs Computing kpt #: 255 total cpu time spent up to now is 89.6 secs Computing kpt #: 256 total cpu time spent up to now is 89.9 secs Computing kpt #: 257 total cpu time spent up to now is 90.3 secs Computing kpt #: 258 total cpu time spent up to now is 90.6 secs Computing kpt #: 259 total cpu time spent up to now is 90.9 secs Computing kpt #: 260 total cpu time spent up to now is 91.2 secs Computing kpt #: 261 total cpu time spent up to now is 91.5 secs Computing kpt #: 262 total cpu time spent up to now is 91.8 secs Computing kpt #: 263 total cpu time spent up to now is 92.1 secs Computing kpt #: 264 total cpu time spent up to now is 92.3 secs Computing kpt #: 265 total cpu time spent up to now is 92.6 secs Computing kpt #: 266 total cpu time spent up to now is 92.9 secs Computing kpt #: 267 total cpu time spent up to now is 93.2 secs Computing kpt #: 268 total cpu time spent up to now is 93.5 secs Computing kpt #: 269 total cpu time spent up to now is 93.8 secs Computing kpt #: 270 total cpu time spent up to now is 94.1 secs Computing kpt #: 271 total cpu time spent up to now is 94.4 secs Computing kpt #: 272 total cpu time spent up to now is 94.7 secs Computing kpt #: 273 total cpu time spent up to now is 95.0 secs Computing kpt #: 274 total cpu time spent up to now is 95.2 secs Computing kpt #: 275 total cpu time spent up to now is 95.5 secs Computing kpt #: 276 total cpu time spent up to now is 95.8 secs Computing kpt #: 277 total cpu time spent up to now is 96.1 secs Computing kpt #: 278 total cpu time spent up to now is 96.4 secs Computing kpt #: 279 total cpu time spent up to now is 96.7 secs Computing kpt #: 280 total cpu time spent up to now is 97.0 secs Computing kpt #: 281 total cpu time spent up to now is 97.3 secs Computing kpt #: 282 total cpu time spent up to now is 97.6 secs Computing kpt #: 283 total cpu time spent up to now is 97.9 secs Computing kpt #: 284 total cpu time spent up to now is 98.2 secs Computing kpt #: 285 total cpu time spent up to now is 98.5 secs Computing kpt #: 286 total cpu time spent up to now is 98.8 secs Computing kpt #: 287 total cpu time spent up to now is 99.1 secs Computing kpt #: 288 total cpu time spent up to now is 99.4 secs Computing kpt #: 289 total cpu time spent up to now is 99.8 secs Computing kpt #: 290 total cpu time spent up to now is 100.1 secs Computing kpt #: 291 total cpu time spent up to now is 100.4 secs Computing kpt #: 292 total cpu time spent up to now is 100.7 secs Computing kpt #: 293 total cpu time spent up to now is 101.0 secs Computing kpt #: 294 total cpu time spent up to now is 101.3 secs Computing kpt #: 295 total cpu time spent up to now is 101.6 secs Computing kpt #: 296 total cpu time spent up to now is 102.0 secs Computing kpt #: 297 total cpu time spent up to now is 102.3 secs Computing kpt #: 298 total cpu time spent up to now is 102.6 secs Computing kpt #: 299 total cpu time spent up to now is 102.9 secs Computing kpt #: 300 total cpu time spent up to now is 103.2 secs Computing kpt #: 301 total cpu time spent up to now is 103.6 secs Computing kpt #: 302 total cpu time spent up to now is 103.9 secs Computing kpt #: 303 total cpu time spent up to now is 104.2 secs Computing kpt #: 304 total cpu time spent up to now is 104.6 secs Computing kpt #: 305 total cpu time spent up to now is 104.9 secs Computing kpt #: 306 total cpu time spent up to now is 105.2 secs Computing kpt #: 307 total cpu time spent up to now is 105.6 secs Computing kpt #: 308 total cpu time spent up to now is 105.9 secs Computing kpt #: 309 total cpu time spent up to now is 106.2 secs Computing kpt #: 310 total cpu time spent up to now is 106.6 secs Computing kpt #: 311 total cpu time spent up to now is 106.9 secs Computing kpt #: 312 total cpu time spent up to now is 107.3 secs Computing kpt #: 313 total cpu time spent up to now is 107.6 secs Computing kpt #: 314 total cpu time spent up to now is 107.9 secs Computing kpt #: 315 total cpu time spent up to now is 108.3 secs Computing kpt #: 316 total cpu time spent up to now is 108.6 secs Computing kpt #: 317 total cpu time spent up to now is 108.9 secs Computing kpt #: 318 total cpu time spent up to now is 109.3 secs Computing kpt #: 319 total cpu time spent up to now is 109.6 secs Computing kpt #: 320 total cpu time spent up to now is 109.9 secs Computing kpt #: 321 total cpu time spent up to now is 110.2 secs Computing kpt #: 322 total cpu time spent up to now is 110.6 secs Computing kpt #: 323 total cpu time spent up to now is 110.9 secs Computing kpt #: 324 total cpu time spent up to now is 111.2 secs Computing kpt #: 325 total cpu time spent up to now is 111.5 secs Computing kpt #: 326 total cpu time spent up to now is 111.8 secs Computing kpt #: 327 total cpu time spent up to now is 112.2 secs Computing kpt #: 328 total cpu time spent up to now is 112.5 secs Computing kpt #: 329 total cpu time spent up to now is 112.8 secs Computing kpt #: 330 total cpu time spent up to now is 113.1 secs Computing kpt #: 331 total cpu time spent up to now is 113.4 secs Computing kpt #: 332 total cpu time spent up to now is 113.7 secs Computing kpt #: 333 total cpu time spent up to now is 114.1 secs Computing kpt #: 334 total cpu time spent up to now is 114.4 secs Computing kpt #: 335 total cpu time spent up to now is 114.7 secs Computing kpt #: 336 total cpu time spent up to now is 115.0 secs Computing kpt #: 337 total cpu time spent up to now is 115.3 secs Computing kpt #: 338 total cpu time spent up to now is 115.6 secs Computing kpt #: 339 total cpu time spent up to now is 115.9 secs Computing kpt #: 340 total cpu time spent up to now is 116.2 secs Computing kpt #: 341 total cpu time spent up to now is 116.5 secs Computing kpt #: 342 total cpu time spent up to now is 116.8 secs Computing kpt #: 343 total cpu time spent up to now is 117.1 secs Computing kpt #: 344 total cpu time spent up to now is 117.3 secs Computing kpt #: 345 total cpu time spent up to now is 117.6 secs Computing kpt #: 346 total cpu time spent up to now is 117.9 secs ethr = 2.00E-08, avg # of iterations = 14.1 total cpu time spent up to now is 117.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2833 PWs) bands (ev): -16.5962 -16.5962 -16.0021 -16.0021 -15.8024 -15.8024 -15.7759 -15.7759 -0.8863 -0.8863 -0.7937 -0.7937 0.5349 0.5349 0.7664 0.7664 0.8526 0.8526 1.8577 1.8577 2.1678 2.1678 2.5224 2.5224 3.3583 3.3583 3.6652 3.6652 3.7067 3.7067 3.7498 3.7498 4.1580 4.1580 4.3761 4.3761 4.5176 4.5176 4.7123 4.7123 4.9435 4.9435 5.8362 5.8362 6.3378 6.3378 7.4872 7.4872 7.7851 7.7851 9.1781 9.1781 10.6675 10.6675 16.0245 16.0245 16.2157 16.2157 18.2703 18.2703 k = 0.0000 0.0000 0.0145 ( 2835 PWs) bands (ev): -16.5959 -16.5959 -16.0021 -16.0021 -15.8027 -15.8027 -15.7760 -15.7760 -0.8853 -0.8853 -0.7924 -0.7924 0.5358 0.5358 0.7667 0.7667 0.8527 0.8527 1.8569 1.8569 2.1656 2.1656 2.5204 2.5204 3.3541 3.3541 3.6606 3.6606 3.7020 3.7020 3.7534 3.7534 4.1623 4.1623 4.3785 4.3785 4.5189 4.5189 4.7146 4.7146 4.9446 4.9446 5.8374 5.8374 6.3371 6.3371 7.4866 7.4866 7.7847 7.7847 9.1768 9.1768 10.6706 10.6706 16.0247 16.0247 16.2124 16.2124 18.2721 18.2721 k = 0.0000 0.0000 0.0290 ( 2837 PWs) bands (ev): -16.5948 -16.5948 -16.0020 -16.0020 -15.8037 -15.8037 -15.7765 -15.7765 -0.8823 -0.8823 -0.7885 -0.7885 0.5384 0.5384 0.7674 0.7674 0.8530 0.8530 1.8544 1.8544 2.1591 2.1591 2.5144 2.5144 3.3420 3.3420 3.6471 3.6471 3.6903 3.6903 3.7621 3.7621 4.1747 4.1747 4.3854 4.3854 4.5227 4.5227 4.7214 4.7214 4.9481 4.9481 5.8414 5.8414 6.3347 6.3347 7.4848 7.4848 7.7836 7.7836 9.1730 9.1730 10.6797 10.6797 16.0247 16.0247 16.2032 16.2032 18.2773 18.2773 k = 0.0000 0.0000 0.0436 ( 2841 PWs) bands (ev): -16.5929 -16.5929 -16.0019 -16.0019 -15.8052 -15.8052 -15.7772 -15.7772 -0.8772 -0.8772 -0.7821 -0.7821 0.5428 0.5428 0.7687 0.7687 0.8534 0.8534 1.8502 1.8502 2.1484 2.1484 2.5045 2.5045 3.3228 3.3228 3.6251 3.6251 3.6746 3.6746 3.7734 3.7734 4.1938 4.1938 4.3966 4.3966 4.5290 4.5290 4.7323 4.7323 4.9539 4.9539 5.8481 5.8481 6.3308 6.3308 7.4820 7.4820 7.7817 7.7817 9.1666 9.1666 10.6948 10.6948 16.0228 16.0228 16.1902 16.1902 18.2856 18.2856 k = 0.0000 0.0000 0.0581 ( 2843 PWs) bands (ev): -16.5903 -16.5903 -16.0018 -16.0018 -15.8075 -15.8075 -15.7782 -15.7782 -0.8702 -0.8702 -0.7731 -0.7731 0.5489 0.5489 0.7704 0.7704 0.8540 0.8540 1.8443 1.8443 2.1336 2.1336 2.4910 2.4910 3.2974 3.2974 3.5955 3.5955 3.6571 3.6571 3.7858 3.7858 4.2181 4.2181 4.4117 4.4117 4.5375 4.5375 4.7468 4.7468 4.9621 4.9621 5.8576 5.8576 6.3255 6.3255 7.4780 7.4780 7.7791 7.7791 9.1576 9.1576 10.7160 10.7160 16.0154 16.0154 16.1771 16.1771 18.2965 18.2965 k = 0.0000 0.0000 0.0726 ( 2844 PWs) bands (ev): -16.5870 -16.5870 -16.0017 -16.0017 -15.8103 -15.8103 -15.7795 -15.7795 -0.8611 -0.8611 -0.7616 -0.7616 0.5568 0.5568 0.7727 0.7727 0.8548 0.8548 1.8365 1.8365 2.1147 2.1147 2.4740 2.4740 3.2669 3.2669 3.5594 3.5594 3.6387 3.6387 3.7986 3.7986 4.2460 4.2460 4.4306 4.4306 4.5481 4.5481 4.7643 4.7643 4.9727 4.9727 5.8698 5.8698 6.3187 6.3187 7.4729 7.4729 7.7758 7.7758 9.1461 9.1461 10.7430 10.7430 15.9976 15.9976 16.1696 16.1696 18.3092 18.3092 k = 0.0000 0.0000 0.0871 ( 2842 PWs) bands (ev): -16.5829 -16.5829 -16.0016 -16.0016 -15.8138 -15.8138 -15.7809 -15.7809 -0.8501 -0.8501 -0.7475 -0.7475 0.5664 0.5664 0.7755 0.7755 0.8556 0.8556 1.8270 1.8270 2.0920 2.0920 2.4539 2.4539 3.2322 3.2322 3.5182 3.5182 3.6200 3.6200 3.8112 3.8112 4.2763 4.2763 4.4526 4.4526 4.5605 4.5605 4.7837 4.7837 4.9859 4.9859 5.8853 5.8853 6.3105 6.3105 7.4666 7.4666 7.7719 7.7719 9.1321 9.1321 10.7758 10.7758 15.9663 15.9663 16.1714 16.1714 18.3230 18.3230 k = 0.0000 0.0000 0.1016 ( 2842 PWs) bands (ev): -16.5781 -16.5781 -16.0016 -16.0016 -15.8179 -15.8179 -15.7825 -15.7825 -0.8370 -0.8370 -0.7310 -0.7310 0.5777 0.5777 0.7788 0.7788 0.8565 0.8565 1.8154 1.8154 2.0657 2.0657 2.4311 2.4311 3.1941 3.1941 3.4730 3.4730 3.6016 3.6016 3.8229 3.8229 4.3081 4.3081 4.4776 4.4776 4.5745 4.5745 4.8044 4.8044 5.0014 5.0014 5.9038 5.9038 6.3009 6.3009 7.4593 7.4593 7.7673 7.7673 9.1155 9.1155 10.8143 10.8143 15.9218 15.9218 16.1826 16.1826 18.3372 18.3372 k = 0.0000 0.0000 0.1162 ( 2840 PWs) bands (ev): -16.5726 -16.5726 -16.0016 -16.0016 -15.8226 -15.8226 -15.7843 -15.7843 -0.8220 -0.8220 -0.7120 -0.7120 0.5906 0.5906 0.7826 0.7826 0.8574 0.8574 1.8019 1.8019 2.0358 2.0358 2.4060 2.4060 3.1532 3.1532 3.4246 3.4246 3.5838 3.5838 3.8336 3.8336 4.3407 4.3407 4.5051 4.5051 4.5898 4.5898 4.8255 4.8255 5.0191 5.0191 5.9256 5.9256 6.2900 6.2900 7.4510 7.4510 7.7622 7.7622 9.0965 9.0965 10.8582 10.8582 15.8669 15.8669 16.2011 16.2011 18.3509 18.3509 k = 0.0000 0.0000 0.1307 ( 2835 PWs) bands (ev): -16.5663 -16.5663 -16.0018 -16.0018 -15.8278 -15.8278 -15.7863 -15.7863 -0.8050 -0.8050 -0.6905 -0.6905 0.6050 0.6050 0.7869 0.7869 0.8582 0.8582 1.7861 1.7861 2.0027 2.0027 2.3794 2.3794 3.1098 3.1098 3.3738 3.3738 3.5671 3.5671 3.8429 3.8429 4.3736 4.3736 4.5349 4.5349 4.6064 4.6064 4.8465 4.8465 5.0388 5.0388 5.9507 5.9507 6.2782 6.2782 7.4418 7.4418 7.7565 7.7565 9.0750 9.0750 10.9075 10.9075 15.8036 15.8036 16.2255 16.2255 18.3636 18.3636 k = 0.0000 0.0000 0.1452 ( 2831 PWs) bands (ev): -16.5594 -16.5594 -16.0022 -16.0022 -15.8335 -15.8335 -15.7884 -15.7884 -0.7861 -0.7861 -0.6667 -0.6667 0.6210 0.6210 0.7918 0.7918 0.8590 0.8590 1.7681 1.7681 1.9666 1.9666 2.3517 2.3517 3.0643 3.0643 3.3210 3.3210 3.5518 3.5518 3.8507 3.8507 4.4066 4.4066 4.5666 4.5666 4.6241 4.6241 4.8670 4.8670 5.0599 5.0599 5.9789 5.9789 6.2654 6.2654 7.4315 7.4315 7.7505 7.7505 9.0511 9.0511 10.9619 10.9619 15.7335 15.7335 16.2546 16.2546 18.3745 18.3745 k = 0.0000 0.0000 0.1597 ( 2830 PWs) bands (ev): -16.5518 -16.5518 -16.0028 -16.0028 -15.8396 -15.8396 -15.7906 -15.7906 -0.7653 -0.7653 -0.6406 -0.6406 0.6383 0.6383 0.7971 0.7971 0.8596 0.8596 1.7477 1.7477 1.9276 1.9276 2.3236 2.3236 3.0168 3.0168 3.2669 3.2669 3.5380 3.5380 3.8568 3.8568 4.4394 4.4394 4.5996 4.5996 4.6429 4.6429 4.8869 4.8869 5.0817 5.0817 6.0100 6.0100 6.2522 6.2522 7.4205 7.4205 7.7441 7.7441 9.0248 9.0248 11.0212 11.0212 15.6578 15.6578 16.2878 16.2878 18.3832 18.3832 k = 0.0000 0.0000 0.1742 ( 2834 PWs) bands (ev): -16.5436 -16.5436 -16.0037 -16.0037 -15.8459 -15.8459 -15.7930 -15.7930 -0.7427 -0.7427 -0.6123 -0.6123 0.6569 0.6569 0.8030 0.8030 0.8601 0.8601 1.7248 1.7248 1.8860 1.8860 2.2958 2.2958 2.9674 2.9674 3.2119 3.2119 3.5259 3.5259 3.8613 3.8613 4.4721 4.4721 4.6329 4.6329 4.6631 4.6631 4.9061 4.9061 5.1039 5.1039 6.0429 6.0429 6.2394 6.2394 7.4086 7.4086 7.7375 7.7375 8.9960 8.9960 11.0852 11.0852 15.5772 15.5772 16.3247 16.3247 18.3893 18.3893 k = 0.0000 0.0000 0.1888 ( 2835 PWs) bands (ev): -16.5347 -16.5347 -16.0051 -16.0051 -15.8523 -15.8523 -15.7955 -15.7955 -0.7183 -0.7183 -0.5818 -0.5818 0.6764 0.6764 0.8095 0.8095 0.8604 0.8604 1.6994 1.6994 1.8420 1.8420 2.2690 2.2690 2.9163 2.9163 3.1566 3.1566 3.5157 3.5157 3.8640 3.8640 4.5046 4.5046 4.6646 4.6646 4.6866 4.6866 4.9247 4.9247 5.1258 5.1258 6.0754 6.0754 6.2294 6.2294 7.3959 7.3959 7.7307 7.7307 8.9651 8.9651 11.1537 11.1537 15.4924 15.4924 16.3650 16.3650 18.3925 18.3925 k = 0.0000 0.0000 0.2033 ( 2835 PWs) bands (ev): -16.5251 -16.5251 -16.0071 -16.0071 -15.8587 -15.8587 -15.7982 -15.7982 -0.6920 -0.6920 -0.5492 -0.5492 0.6963 0.6963 0.8167 0.8167 0.8608 0.8608 1.6716 1.6716 1.7958 1.7958 2.2436 2.2436 2.8634 2.8634 3.1013 3.1013 3.5073 3.5073 3.8650 3.8650 4.5368 4.5368 4.6913 4.6913 4.7160 4.7160 4.9427 4.9427 5.1472 5.1472 6.1024 6.1024 6.2271 6.2271 7.3825 7.3825 7.7240 7.7240 8.9319 8.9319 11.2265 11.2265 15.4038 15.4038 16.4085 16.4085 18.3925 18.3925 k = 0.0000 0.0000 0.2178 ( 2837 PWs) bands (ev): -16.5149 -16.5149 -16.0098 -16.0098 -15.8650 -15.8650 -15.8010 -15.8010 -0.6640 -0.6640 -0.5146 -0.5146 0.7161 0.7161 0.8245 0.8245 0.8615 0.8615 1.6416 1.6416 1.7476 1.7476 2.2202 2.2202 2.8087 2.8087 3.0464 3.0464 3.5008 3.5008 3.8643 3.8643 4.5687 4.5687 4.7142 4.7142 4.7498 4.7498 4.9602 4.9602 5.1677 5.1677 6.1148 6.1148 6.2412 6.2412 7.3686 7.3686 7.7173 7.7173 8.8966 8.8966 11.3033 11.3033 15.3120 15.3120 16.4549 16.4549 18.3893 18.3893 k = 0.0000 0.0000 0.2323 ( 2837 PWs) bands (ev): -16.5042 -16.5042 -16.0133 -16.0133 -15.8709 -15.8709 -15.8039 -15.8039 -0.6343 -0.6343 -0.4780 -0.4780 0.7346 0.7346 0.8329 0.8329 0.8636 0.8636 1.6095 1.6095 1.6975 1.6975 2.1991 2.1991 2.7522 2.7522 2.9925 2.9925 3.4961 3.4961 3.8619 3.8619 4.6001 4.6001 4.7360 4.7360 4.7850 4.7850 4.9771 4.9771 5.1872 5.1872 6.1104 6.1104 6.2738 6.2738 7.3542 7.3542 7.7110 7.7110 8.8591 8.8591 11.3840 11.3840 15.2171 15.2171 16.5043 16.5043 18.3826 18.3826 k = 0.0000 0.0000 0.2468 ( 2837 PWs) bands (ev): -16.4928 -16.4928 -16.0179 -16.0179 -15.8762 -15.8762 -15.8069 -15.8069 -0.6030 -0.6030 -0.4397 -0.4397 0.7502 0.7502 0.8413 0.8413 0.8691 0.8691 1.5760 1.5760 1.6458 1.6458 2.1807 2.1807 2.6940 2.6940 2.9396 2.9396 3.4932 3.4932 3.8579 3.8579 4.6310 4.6310 4.7576 4.7576 4.8201 4.8201 4.9935 4.9935 5.2059 5.2059 6.0958 6.0958 6.3178 6.3178 7.3393 7.3393 7.7052 7.7052 8.8197 8.8197 11.4682 11.4682 15.1196 15.1196 16.5563 16.5563 18.3724 18.3724 k = 0.0000 0.0000 0.2614 ( 2836 PWs) bands (ev): -16.4809 -16.4809 -16.0235 -16.0235 -15.8809 -15.8809 -15.8101 -15.8101 -0.5701 -0.5701 -0.3998 -0.3998 0.7609 0.7609 0.8485 0.8485 0.8806 0.8806 1.5415 1.5415 1.5927 1.5927 2.1650 2.1650 2.6342 2.6342 2.8881 2.8881 3.4920 3.4920 3.8525 3.8525 4.6611 4.6611 4.7795 4.7795 4.8545 4.8545 5.0095 5.0095 5.2237 5.2237 6.0762 6.0762 6.3674 6.3674 7.3242 7.3242 7.7001 7.7001 8.7783 8.7783 11.5558 11.5558 15.0198 15.0198 16.6108 16.6108 18.3586 18.3586 k = 0.0000 0.0000 0.2759 ( 2834 PWs) bands (ev): -16.4685 -16.4685 -16.0304 -16.0304 -15.8848 -15.8848 -15.8133 -15.8133 -0.5356 -0.5356 -0.3583 -0.3583 0.7653 0.7653 0.8550 0.8550 0.8987 0.8987 1.5068 1.5068 1.5383 1.5383 2.1522 2.1522 2.5730 2.5730 2.8381 2.8381 3.4924 3.4924 3.8456 3.8456 4.6904 4.6904 4.8017 4.8017 4.8874 4.8874 5.0251 5.0251 5.2409 5.2409 6.0538 6.0538 6.4204 6.4204 7.3088 7.3088 7.6960 7.6960 8.7351 8.7351 11.6465 11.6465 14.9177 14.9177 16.6677 16.6677 18.3412 18.3412 k = 0.0000 0.0000 0.2904 ( 2835 PWs) bands (ev): -16.4555 -16.4555 -16.0385 -16.0385 -15.8878 -15.8878 -15.8167 -15.8167 -0.4997 -0.4997 -0.3155 -0.3155 0.7633 0.7633 0.8619 0.8619 0.9218 0.9218 1.4725 1.4725 1.4830 1.4830 2.1422 2.1422 2.5106 2.5106 2.7897 2.7897 3.4944 3.4944 3.8373 3.8373 4.7185 4.7185 4.8242 4.8242 4.9184 4.9184 5.0403 5.0403 5.2578 5.2578 6.0295 6.0295 6.4751 6.4751 7.2932 7.2932 7.6933 7.6933 8.6901 8.6901 11.7401 11.7401 14.8138 14.8138 16.7268 16.7268 18.3202 18.3202 k = 0.0000 0.0000 0.3049 ( 2835 PWs) bands (ev): -16.4421 -16.4421 -16.0479 -16.0479 -15.8900 -15.8900 -15.8201 -15.8201 -0.4625 -0.4625 -0.2716 -0.2716 0.7559 0.7559 0.8695 0.8695 0.9481 0.9481 1.4264 1.4264 1.4403 1.4403 2.1350 2.1350 2.4473 2.4473 2.7428 2.7428 3.4979 3.4979 3.8278 3.8278 4.7453 4.7453 4.8471 4.8471 4.9467 4.9467 5.0555 5.0555 5.2747 5.2747 6.0037 6.0037 6.5306 6.5306 7.2775 7.2775 7.6921 7.6921 8.6436 8.6436 11.8364 11.8364 14.7080 14.7080 16.7879 16.7879 18.2956 18.2956 k = 0.0000 0.0000 0.3194 ( 2832 PWs) bands (ev): -16.4282 -16.4282 -16.0584 -16.0584 -15.8913 -15.8913 -15.8236 -15.8236 -0.4239 -0.4239 -0.2270 -0.2270 0.7440 0.7440 0.8777 0.8777 0.9761 0.9761 1.3696 1.3696 1.4102 1.4102 2.1304 2.1304 2.3835 2.3835 2.6976 2.6976 3.5029 3.5029 3.8171 3.8171 4.7707 4.7707 4.8702 4.8702 4.9717 4.9717 5.0708 5.0708 5.2921 5.2921 5.9768 5.9768 6.5861 6.5861 7.2618 7.2618 7.6928 7.6928 8.5956 8.5956 11.9352 11.9352 14.6008 14.6008 16.8509 16.8509 18.2673 18.2673 k = 0.0000 0.0000 0.3340 ( 2836 PWs) bands (ev): -16.4139 -16.4139 -16.0700 -16.0700 -15.8918 -15.8918 -15.8272 -15.8272 -0.3843 -0.3843 -0.1819 -0.1819 0.7286 0.7286 0.8861 0.8861 1.0043 1.0043 1.3126 1.3126 1.3840 1.3840 2.1283 2.1283 2.3195 2.3195 2.6539 2.6539 3.5091 3.5091 3.8054 3.8054 4.7946 4.7946 4.8933 4.8933 4.9928 4.9928 5.0863 5.0863 5.3102 5.3102 5.9489 5.9489 6.6408 6.6408 7.2461 7.2461 7.6960 7.6960 8.5462 8.5462 12.0363 12.0363 14.4921 14.4921 16.9155 16.9155 18.2353 18.2353 k = 0.0000 0.0000 0.3485 ( 2837 PWs) bands (ev): -16.3992 -16.3992 -16.0825 -16.0825 -15.8917 -15.8917 -15.8308 -15.8308 -0.3436 -0.3436 -0.1369 -0.1369 0.7102 0.7102 0.8946 0.8946 1.0309 1.0309 1.2557 1.2557 1.3635 1.3635 2.1279 2.1279 2.2562 2.2562 2.6117 2.6117 3.5166 3.5166 3.7928 3.7928 4.8170 4.8170 4.9159 4.9159 5.0101 5.0101 5.1018 5.1018 5.3295 5.3295 5.9201 5.9201 6.6942 6.6942 7.2305 7.2305 7.7019 7.7019 8.4957 8.4957 12.1394 12.1394 14.3822 14.3822 16.9816 16.9816 18.1997 18.1997 k = 0.0000 0.0000 0.3630 ( 2833 PWs) bands (ev): -16.3841 -16.3841 -16.0959 -16.0959 -15.8909 -15.8909 -15.8345 -15.8345 -0.3021 -0.3021 -0.0925 -0.0925 0.6899 0.6899 0.9028 0.9028 1.0537 1.0537 1.1999 1.1999 1.3505 1.3505 2.1266 2.1266 2.1965 2.1965 2.5711 2.5711 3.5252 3.5252 3.7795 3.7795 4.8382 4.8382 4.9374 4.9374 5.0241 5.0241 5.1167 5.1167 5.3504 5.3504 5.8907 5.8907 6.7456 6.7456 7.2151 7.2151 7.7110 7.7110 8.4441 8.4441 12.2445 12.2445 14.2712 14.2712 17.0488 17.0488 18.1604 18.1604 k = 0.0000 0.0000 0.3775 ( 2833 PWs) bands (ev): -16.3686 -16.3686 -16.1100 -16.1100 -15.8896 -15.8896 -15.8383 -15.8383 -0.2599 -0.2599 -0.0497 -0.0497 0.6685 0.6685 0.9098 0.9098 1.0691 1.0691 1.1472 1.1472 1.3475 1.3475 2.1057 2.1057 2.1592 2.1592 2.5321 2.5321 3.5350 3.5350 3.7654 3.7654 4.8580 4.8580 4.9569 4.9569 5.0360 5.0360 5.1299 5.1299 5.3731 5.3731 5.8606 5.8606 6.7946 6.7946 7.1997 7.1997 7.7237 7.7237 8.3917 8.3917 12.3512 12.3512 14.1593 14.1593 17.1171 17.1171 18.1177 18.1177 k = 0.0000 0.0000 0.3920 ( 2833 PWs) bands (ev): -16.3529 -16.3529 -16.1247 -16.1247 -15.8879 -15.8879 -15.8420 -15.8420 -0.2173 -0.2173 -0.0095 -0.0095 0.6477 0.6477 0.9138 0.9138 1.0680 1.0680 1.1069 1.1069 1.3562 1.3562 2.0517 2.0517 2.1579 2.1579 2.4945 2.4945 3.5457 3.5457 3.7507 3.7507 4.8765 4.8765 4.9731 4.9731 5.0471 5.0471 5.1409 5.1409 5.3975 5.3975 5.8299 5.8299 6.8405 6.8405 7.1843 7.1843 7.7405 7.7405 8.3387 8.3387 12.4595 12.4595 14.0465 14.0465 17.1861 17.1861 18.0715 18.0715 k = 0.0000 0.0000 0.4066 ( 2834 PWs) bands (ev): -16.3369 -16.3369 -16.1399 -16.1399 -15.8858 -15.8858 -15.8458 -15.8458 -0.1747 -0.1747 0.0263 0.0263 0.6292 0.6292 0.9109 0.9109 1.0389 1.0389 1.0946 1.0946 1.3764 1.3764 1.9908 1.9908 2.1667 2.1667 2.4586 2.4586 3.5573 3.5573 3.7356 3.7356 4.8939 4.8939 4.9849 4.9849 5.0590 5.0590 5.1492 5.1492 5.4238 5.4238 5.7987 5.7987 6.8829 6.8829 7.1689 7.1689 7.7616 7.7616 8.2854 8.2854 12.5691 12.5691 13.9331 13.9331 17.2556 17.2556 18.0220 18.0220 k = 0.0000 0.0000 0.4211 ( 2840 PWs) bands (ev): -16.3207 -16.3207 -16.1555 -16.1555 -15.8834 -15.8834 -15.8496 -15.8496 -0.1324 -0.1324 0.0557 0.0557 0.6155 0.6155 0.8933 0.8933 1.0136 1.0136 1.0882 1.0882 1.4065 1.4065 1.9293 1.9293 2.1791 2.1791 2.4242 2.4242 3.5698 3.5698 3.7202 3.7202 4.9101 4.9101 4.9917 4.9917 5.0723 5.0723 5.1545 5.1545 5.4517 5.4517 5.7671 5.7671 6.9218 6.9218 7.1533 7.1533 7.7871 7.7871 8.2320 8.2320 12.6799 12.6799 13.8191 13.8191 17.3253 17.3253 17.9693 17.9693 k = 0.0000 0.0000 0.4356 ( 2842 PWs) bands (ev): -16.3043 -16.3043 -16.1715 -16.1715 -15.8807 -15.8807 -15.8533 -15.8533 -0.0908 -0.0908 0.0765 0.0765 0.6091 0.6091 0.8588 0.8588 1.0050 1.0050 1.0796 1.0796 1.4441 1.4441 1.8684 1.8684 2.1943 2.1943 2.3914 2.3914 3.5830 3.5830 3.7045 3.7045 4.9252 4.9252 4.9939 4.9939 5.0866 5.0866 5.1568 5.1568 5.4809 5.4809 5.7352 5.7352 6.9569 6.9569 7.1373 7.1373 7.8172 7.8172 8.1789 8.1789 12.7917 12.7917 13.7048 13.7048 17.3950 17.3950 17.9137 17.9137 k = 0.0000 0.0000 0.4501 ( 2846 PWs) bands (ev): -16.2877 -16.2877 -16.1878 -16.1878 -15.8777 -15.8777 -15.8571 -15.8571 -0.0507 -0.0507 0.0866 0.0866 0.6123 0.6123 0.8149 0.8149 1.0073 1.0073 1.0693 1.0693 1.4871 1.4871 1.8085 1.8085 2.2119 2.2119 2.3603 2.3603 3.5969 3.5969 3.6887 3.6887 4.9391 4.9391 4.9925 4.9925 5.1011 5.1011 5.1561 5.1561 5.5112 5.5112 5.7031 5.7031 6.9884 6.9884 7.1208 7.1208 7.8516 7.8516 8.1264 8.1264 12.9043 12.9043 13.5902 13.5902 17.4643 17.4643 17.8555 17.8555 k = 0.0000 0.0000 0.4646 ( 2843 PWs) bands (ev): -16.2711 -16.2711 -16.2043 -16.2043 -15.8746 -15.8746 -15.8608 -15.8608 -0.0128 -0.0128 0.0850 0.0850 0.6265 0.6265 0.7690 0.7690 1.0146 1.0146 1.0580 1.0580 1.5343 1.5343 1.7500 1.7500 2.2317 2.2317 2.3309 2.3309 3.6113 3.6113 3.6728 3.6728 4.9518 4.9518 4.9883 4.9883 5.1149 5.1149 5.1526 5.1526 5.5424 5.5424 5.6707 5.6707 7.0166 7.0166 7.1033 7.1033 7.8900 7.8900 8.0750 8.0750 13.0177 13.0177 13.4754 13.4754 17.5329 17.5329 17.7947 17.7947 k = 0.0000 0.0000 0.4792 ( 2848 PWs) bands (ev): -16.2543 -16.2543 -16.2209 -16.2209 -15.8713 -15.8713 -15.8644 -15.8644 0.0214 0.0214 0.0724 0.0724 0.6512 0.6512 0.7247 0.7247 1.0242 1.0242 1.0465 1.0465 1.5847 1.5847 1.6930 1.6930 2.2536 2.2536 2.3033 2.3033 3.6262 3.6262 3.6571 3.6571 4.9632 4.9632 4.9817 4.9817 5.1273 5.1273 5.1465 5.1465 5.5741 5.5741 5.6384 5.6384 7.0416 7.0416 7.0846 7.0846 7.9321 7.9321 8.0252 8.0252 13.1317 13.1317 13.3606 13.3606 17.6006 17.6006 17.7318 17.7318 k = 0.0000 0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2376 -16.2376 -16.2376 -16.2376 -15.8679 -15.8679 -15.8679 -15.8679 0.0505 0.0505 0.0505 0.0505 0.6847 0.6847 0.6847 0.6847 1.0351 1.0351 1.0351 1.0351 1.6378 1.6378 1.6378 1.6378 2.2775 2.2775 2.2775 2.2775 3.6415 3.6415 3.6415 3.6415 4.9733 4.9733 4.9733 4.9733 5.1380 5.1380 5.1380 5.1380 5.6061 5.6061 5.6061 5.6061 7.0642 7.0642 7.0642 7.0642 7.9774 7.9774 7.9774 7.9774 13.2460 13.2460 13.2460 13.2460 17.6670 17.6670 17.6670 17.6670 k = 0.0000 0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2376 -16.2376 -16.2376 -16.2376 -15.8679 -15.8679 -15.8679 -15.8679 0.0505 0.0505 0.0505 0.0505 0.6847 0.6847 0.6847 0.6847 1.0351 1.0351 1.0351 1.0351 1.6378 1.6378 1.6378 1.6378 2.2775 2.2775 2.2775 2.2775 3.6415 3.6415 3.6415 3.6415 4.9733 4.9733 4.9733 4.9733 5.1380 5.1380 5.1380 5.1380 5.6061 5.6061 5.6061 5.6061 7.0642 7.0642 7.0642 7.0642 7.9774 7.9774 7.9774 7.9774 13.2460 13.2460 13.2460 13.2460 17.6670 17.6670 17.6670 17.6670 k = 0.0000 0.0143 0.4937 ( 2846 PWs) bands (ev): -16.2396 -16.2396 -16.2352 -16.2352 -15.8687 -15.8687 -15.8673 -15.8673 0.0472 0.0472 0.0543 0.0543 0.6645 0.6645 0.7035 0.7035 1.0224 1.0224 1.0513 1.0513 1.6139 1.6139 1.6614 1.6614 2.2600 2.2600 2.2919 2.2919 3.6383 3.6383 3.6451 3.6451 4.9654 4.9654 4.9793 4.9793 5.1334 5.1334 5.1445 5.1445 5.5982 5.5982 5.6142 5.6142 7.0498 7.0498 7.0768 7.0768 7.9492 7.9492 8.0047 8.0047 13.2405 13.2405 13.2559 13.2559 17.6593 17.6593 17.6781 17.6781 k = 0.0000 0.0286 0.4937 ( 2840 PWs) bands (ev): -16.2413 -16.2413 -16.2324 -16.2324 -15.8696 -15.8696 -15.8669 -15.8669 0.0444 0.0444 0.0588 0.0588 0.6442 0.6442 0.7198 0.7198 1.0146 1.0146 1.0702 1.0702 1.5898 1.5898 1.6847 1.6847 2.2397 2.2397 2.3033 2.3033 3.6357 3.6357 3.6491 3.6491 4.9563 4.9563 4.9832 4.9832 5.1313 5.1313 5.1523 5.1523 5.5905 5.5905 5.6224 5.6224 7.0336 7.0336 7.0878 7.0878 7.9202 7.9202 8.0312 8.0312 13.2393 13.2393 13.2700 13.2700 17.6550 17.6550 17.6929 17.6929 k = 0.0000 0.0429 0.4937 ( 2845 PWs) bands (ev): -16.2426 -16.2426 -16.2293 -16.2293 -15.8707 -15.8707 -15.8666 -15.8666 0.0418 0.0418 0.0640 0.0640 0.6244 0.6244 0.7321 0.7321 1.0129 1.0129 1.0911 1.0911 1.5652 1.5652 1.7077 1.7077 2.2166 2.2166 2.3116 2.3116 3.6337 3.6337 3.6531 3.6531 4.9464 4.9464 4.9843 4.9843 5.1317 5.1317 5.1608 5.1608 5.5830 5.5830 5.6308 5.6308 7.0156 7.0156 7.0968 7.0968 7.8904 7.8904 8.0569 8.0569 13.2425 13.2425 13.2883 13.2883 17.6539 17.6539 17.7112 17.7112 k = 0.0000 0.0572 0.4937 ( 2844 PWs) bands (ev): -16.2435 -16.2435 -16.2259 -16.2259 -15.8720 -15.8720 -15.8665 -15.8665 0.0393 0.0393 0.0700 0.0700 0.6058 0.6058 0.7393 0.7393 1.0182 1.0182 1.1135 1.1135 1.5402 1.5402 1.7304 1.7304 2.1911 2.1911 2.3171 2.3171 3.6322 3.6322 3.6570 3.6570 4.9360 4.9360 4.9830 4.9830 5.1348 5.1348 5.1698 5.1698 5.5757 5.5757 5.6393 5.6393 6.9958 6.9958 7.1041 7.1041 7.8603 7.8603 8.0818 8.0818 13.2502 13.2502 13.3107 13.3107 17.6559 17.6559 17.7331 17.7331 k = 0.0000 0.0714 0.4937 ( 2844 PWs) bands (ev): -16.2441 -16.2441 -16.2221 -16.2221 -15.8734 -15.8734 -15.8667 -15.8667 0.0367 0.0367 0.0770 0.0770 0.5891 0.5891 0.7410 0.7410 1.0310 1.0310 1.1371 1.1371 1.5148 1.5148 1.7525 1.7525 2.1637 2.1637 2.3200 2.3200 3.6313 3.6313 3.6606 3.6606 4.9255 4.9255 4.9796 4.9796 5.1399 5.1399 5.1787 5.1787 5.5688 5.5688 5.6480 5.6480 6.9741 6.9741 7.1095 7.1095 7.8299 7.8299 8.1059 8.1059 13.2622 13.2622 13.3370 13.3370 17.6609 17.6609 17.7587 17.7587 k = 0.0000 0.0857 0.4937 ( 2848 PWs) bands (ev): -16.2443 -16.2443 -16.2179 -16.2179 -15.8749 -15.8749 -15.8669 -15.8669 0.0338 0.0338 0.0848 0.0848 0.5745 0.5745 0.7377 0.7377 1.0505 1.0505 1.1615 1.1615 1.4888 1.4888 1.7736 1.7736 2.1350 2.1350 2.3204 2.3204 3.6307 3.6307 3.6636 3.6636 4.9151 4.9151 4.9748 4.9748 5.1466 5.1466 5.1873 5.1873 5.5622 5.5622 5.6567 5.6567 6.9504 6.9504 7.1127 7.1127 7.7995 7.7995 8.1294 8.1294 13.2786 13.2786 13.3672 13.3672 17.6686 17.6686 17.7879 17.7879 k = 0.0000 0.1000 0.4937 ( 2842 PWs) bands (ev): -16.2442 -16.2442 -16.2135 -16.2135 -15.8766 -15.8766 -15.8674 -15.8674 0.0304 0.0304 0.0935 0.0935 0.5626 0.5626 0.7307 0.7307 1.0756 1.0756 1.1865 1.1865 1.4624 1.4624 1.7932 1.7932 2.1061 2.1061 2.3188 2.3188 3.6304 3.6304 3.6657 3.6657 4.9048 4.9048 4.9692 4.9692 5.1541 5.1541 5.1956 5.1956 5.5561 5.5561 5.6656 5.6656 6.9249 6.9249 7.1136 7.1136 7.7697 7.7697 8.1524 8.1524 13.2993 13.2993 13.4011 13.4011 17.6788 17.6788 17.8206 17.8206 k = 0.0000 0.1143 0.4937 ( 2844 PWs) bands (ev): -16.2437 -16.2437 -16.2087 -16.2087 -15.8784 -15.8784 -15.8681 -15.8681 0.0262 0.0262 0.1031 0.1031 0.5534 0.5534 0.7208 0.7208 1.1049 1.1049 1.2120 1.2120 1.4354 1.4354 1.8099 1.8099 2.0784 2.0784 2.3154 2.3154 3.6301 3.6301 3.6668 3.6668 4.8946 4.8946 4.9631 4.9631 5.1618 5.1618 5.2033 5.2033 5.5505 5.5505 5.6746 5.6746 6.8975 6.8975 7.1117 7.1117 7.7408 7.7408 8.1749 8.1749 13.3243 13.3243 13.4385 13.4385 17.6913 17.6913 17.8569 17.8569 k = 0.0000 0.1286 0.4937 ( 2841 PWs) bands (ev): -16.2428 -16.2428 -16.2036 -16.2036 -15.8803 -15.8803 -15.8689 -15.8689 0.0211 0.0211 0.1136 0.1136 0.5474 0.5474 0.7094 0.7094 1.1370 1.1370 1.2378 1.2378 1.4083 1.4083 1.8215 1.8215 2.0545 2.0545 2.3106 2.3106 3.6297 3.6297 3.6666 3.6666 4.8845 4.8845 4.9572 4.9572 5.1692 5.1692 5.2105 5.2105 5.5454 5.5454 5.6838 5.6838 6.8682 6.8682 7.1068 7.1068 7.7135 7.7135 8.1971 8.1971 13.3535 13.3535 13.4793 13.4793 17.7057 17.7057 17.8966 17.8966 k = 0.0000 0.1429 0.4937 ( 2842 PWs) bands (ev): -16.2417 -16.2417 -16.1982 -16.1982 -15.8823 -15.8823 -15.8699 -15.8699 0.0150 0.0150 0.1249 0.1249 0.5446 0.5446 0.6970 0.6970 1.1707 1.1707 1.2636 1.2636 1.3815 1.3815 1.8249 1.8249 2.0380 2.0380 2.3047 2.3047 3.6290 3.6290 3.6650 3.6650 4.8744 4.8744 4.9516 4.9516 5.1758 5.1758 5.2170 5.2170 5.5410 5.5410 5.6931 5.6931 6.8369 6.8369 7.0984 7.0984 7.6884 7.6884 8.2191 8.2191 13.3867 13.3867 13.5234 13.5234 17.7218 17.7218 17.9397 17.9397 k = 0.0000 0.1572 0.4937 ( 2840 PWs) bands (ev): -16.2402 -16.2402 -16.1926 -16.1926 -15.8844 -15.8844 -15.8712 -15.8712 0.0080 0.0080 0.1368 0.1368 0.5451 0.5451 0.6844 0.6844 1.2038 1.2038 1.2894 1.2894 1.3566 1.3566 1.8170 1.8170 2.0322 2.0322 2.2981 2.2981 3.6278 3.6278 3.6620 3.6620 4.8644 4.8644 4.9465 4.9465 5.1811 5.1811 5.2230 5.2230 5.5372 5.5372 5.7026 5.7026 6.8040 6.8040 7.0862 7.0862 7.6660 7.6660 8.2411 8.2411 13.4239 13.4239 13.5705 13.5705 17.7390 17.7390 17.9859 17.9859 k = 0.0000 0.1715 0.4937 ( 2841 PWs) bands (ev): -16.2383 -16.2383 -16.1867 -16.1867 -15.8866 -15.8866 -15.8726 -15.8726 -0.0002 -0.0002 0.1493 0.1493 0.5488 0.5488 0.6719 0.6719 1.2310 1.2310 1.3145 1.3145 1.3390 1.3390 1.7975 1.7975 2.0376 2.0376 2.2911 2.2911 3.6261 3.6261 3.6573 3.6573 4.8542 4.8542 4.9419 4.9419 5.1849 5.1849 5.2283 5.2283 5.5342 5.5342 5.7123 5.7123 6.7693 6.7693 7.0698 7.0698 7.6468 7.6468 8.2629 8.2629 13.4650 13.4650 13.6206 13.6206 17.7572 17.7572 18.0353 18.0353 k = 0.0000 0.1857 0.4937 ( 2840 PWs) bands (ev): -16.2362 -16.2362 -16.1806 -16.1806 -15.8889 -15.8889 -15.8742 -15.8742 -0.0094 -0.0094 0.1622 0.1622 0.5557 0.5557 0.6600 0.6600 1.2392 1.2392 1.3352 1.3352 1.3449 1.3449 1.7692 1.7692 2.0521 2.0521 2.2839 2.2839 3.6236 3.6236 3.6511 3.6511 4.8440 4.8440 4.9377 4.9377 5.1870 5.1870 5.2331 5.2331 5.5321 5.5321 5.7223 5.7223 6.7330 6.7330 7.0490 7.0490 7.6313 7.6313 8.2848 8.2848 13.5098 13.5098 13.6735 13.6735 17.7757 17.7757 18.0875 18.0875 k = 0.0000 0.2000 0.4937 ( 2847 PWs) bands (ev): -16.2338 -16.2338 -16.1742 -16.1742 -15.8913 -15.8913 -15.8759 -15.8759 -0.0195 -0.0195 0.1754 0.1754 0.5655 0.5655 0.6490 0.6490 1.2238 1.2238 1.3613 1.3613 1.3687 1.3687 1.7353 1.7353 2.0725 2.0725 2.2769 2.2769 3.6203 3.6203 3.6433 3.6433 4.8334 4.8334 4.9337 4.9337 5.1874 5.1874 5.2371 5.2371 5.5307 5.5307 5.7325 5.7325 6.6952 6.6952 7.0237 7.0237 7.6196 7.6196 8.3068 8.3068 13.5582 13.5582 13.7290 13.7290 17.7941 17.7941 18.1424 18.1424 k = 0.0000 0.2143 0.4937 ( 2851 PWs) bands (ev): -16.2311 -16.2311 -16.1676 -16.1676 -15.8938 -15.8938 -15.8779 -15.8779 -0.0304 -0.0304 0.1885 0.1885 0.5780 0.5780 0.6395 0.6395 1.1974 1.1974 1.3901 1.3901 1.4000 1.4000 1.6986 1.6986 2.0966 2.0966 2.2704 2.2704 3.6161 3.6161 3.6340 3.6340 4.8228 4.8228 4.9298 4.9298 5.1862 5.1862 5.2402 5.2402 5.5303 5.5303 5.7429 5.7429 6.6561 6.6561 6.9941 6.9941 7.6118 7.6118 8.3290 8.3290 13.6101 13.6101 13.7870 13.7870 17.8120 17.8120 18.1998 18.1998 k = 0.0000 0.2286 0.4937 ( 2853 PWs) bands (ev): -16.2281 -16.2281 -16.1609 -16.1609 -15.8963 -15.8963 -15.8800 -15.8800 -0.0418 -0.0418 0.2014 0.2014 0.5922 0.5922 0.6324 0.6324 1.1669 1.1669 1.4133 1.4133 1.4394 1.4394 1.6613 1.6613 2.1232 2.1232 2.2645 2.2645 3.6109 3.6109 3.6234 3.6234 4.8119 4.8119 4.9257 4.9257 5.1835 5.1835 5.2422 5.2422 5.5308 5.5308 5.7535 5.7535 6.6158 6.6158 6.9607 6.9607 7.6078 7.6078 8.3513 8.3513 13.6653 13.6653 13.8474 13.8474 17.8286 17.8286 18.2594 18.2594 k = 0.0000 0.2429 0.4937 ( 2848 PWs) bands (ev): -16.2248 -16.2248 -16.1540 -16.1540 -15.8988 -15.8988 -15.8823 -15.8823 -0.0538 -0.0538 0.2136 0.2136 0.6053 0.6053 0.6307 0.6307 1.1346 1.1346 1.4329 1.4329 1.4808 1.4808 1.6260 1.6260 2.1510 2.1510 2.2599 2.2599 3.6043 3.6043 3.6120 3.6120 4.8009 4.8009 4.9211 4.9211 5.1794 5.1794 5.2429 5.2429 5.5323 5.5323 5.7645 5.7645 6.5745 6.5745 6.9238 6.9238 7.6071 7.6071 8.3739 8.3739 13.7237 13.7237 13.9099 13.9099 17.8434 17.8434 18.3208 18.3208 k = 0.0000 0.2572 0.4937 ( 2854 PWs) bands (ev): -16.2214 -16.2214 -16.1469 -16.1469 -15.9014 -15.9014 -15.8848 -15.8848 -0.0662 -0.0662 0.2249 0.2249 0.6104 0.6104 0.6414 0.6414 1.1014 1.1014 1.4460 1.4460 1.5220 1.5220 1.5974 1.5974 2.1787 2.1787 2.2575 2.2575 3.5948 3.5948 3.6013 3.6013 4.7895 4.7895 4.9157 4.9157 5.1741 5.1741 5.2420 5.2420 5.5347 5.5347 5.7759 5.7759 6.5323 6.5323 6.8839 6.8839 7.6094 7.6094 8.3966 8.3966 13.7853 13.7853 13.9746 13.9746 17.8557 17.8557 18.3836 18.3836 k = 0.0000 0.2715 0.4937 ( 2858 PWs) bands (ev): -16.2177 -16.2177 -16.1397 -16.1397 -15.9040 -15.9040 -15.8874 -15.8874 -0.0788 -0.0788 0.2347 0.2347 0.6108 0.6108 0.6613 0.6613 1.0679 1.0679 1.4459 1.4459 1.5565 1.5565 1.5885 1.5885 2.2033 2.2033 2.2601 2.2601 3.5814 3.5814 3.5927 3.5927 4.7779 4.7779 4.9092 4.9092 5.1677 5.1677 5.2396 5.2396 5.5381 5.5381 5.7875 5.7875 6.4896 6.4896 6.8416 6.8416 7.6143 7.6143 8.4194 8.4194 13.8497 13.8497 14.0412 14.0412 17.8649 17.8649 18.4475 18.4475 k = 0.0000 0.2858 0.4937 ( 2853 PWs) bands (ev): -16.2137 -16.2137 -16.1324 -16.1324 -15.9065 -15.9065 -15.8901 -15.8901 -0.0915 -0.0915 0.2426 0.2426 0.6122 0.6122 0.6849 0.6849 1.0344 1.0344 1.4283 1.4283 1.5705 1.5705 1.6178 1.6178 2.2187 2.2187 2.2738 2.2738 3.5661 3.5661 3.5841 3.5841 4.7661 4.7661 4.9017 4.9017 5.1603 5.1603 5.2356 5.2356 5.5424 5.5424 5.7996 5.7996 6.4466 6.4466 6.7973 6.7973 7.6215 7.6215 8.4425 8.4425 13.9169 13.9169 14.1096 14.1096 17.8702 17.8702 18.5118 18.5118 k = 0.0000 0.3000 0.4937 ( 2857 PWs) bands (ev): -16.2097 -16.2097 -16.1251 -16.1251 -15.9091 -15.9091 -15.8930 -15.8930 -0.1044 -0.1044 0.2483 0.2483 0.6162 0.6162 0.7107 0.7107 1.0011 1.0011 1.3983 1.3983 1.5850 1.5850 1.6588 1.6588 2.2238 2.2238 2.2992 2.2992 3.5498 3.5498 3.5751 3.5751 4.7540 4.7540 4.8927 4.8927 5.1517 5.1517 5.2300 5.2300 5.5475 5.5475 5.8119 5.8119 6.4034 6.4034 6.7516 6.7516 7.6305 7.6305 8.4657 8.4657 13.9868 13.9868 14.1798 14.1798 17.8710 17.8710 18.5758 18.5758 k = 0.0000 0.3143 0.4937 ( 2859 PWs) bands (ev): -16.2054 -16.2054 -16.1177 -16.1177 -15.9117 -15.9117 -15.8961 -15.8961 -0.1171 -0.1171 0.2515 0.2515 0.6232 0.6232 0.7381 0.7381 0.9684 0.9684 1.3627 1.3627 1.6039 1.6039 1.7009 1.7009 2.2248 2.2248 2.3303 2.3303 3.5327 3.5327 3.5657 3.5657 4.7416 4.7416 4.8823 4.8823 5.1422 5.1422 5.2227 5.2227 5.5534 5.5534 5.8244 5.8244 6.3601 6.3601 6.7049 6.7049 7.6409 7.6409 8.4890 8.4890 14.0593 14.0593 14.2516 14.2516 17.8666 17.8666 18.6387 18.6387 k = 0.0000 0.3286 0.4937 ( 2859 PWs) bands (ev): -16.2010 -16.2010 -16.1103 -16.1103 -15.9143 -15.9143 -15.8992 -15.8992 -0.1298 -0.1298 0.2519 0.2519 0.6333 0.6333 0.7668 0.7668 0.9364 0.9364 1.3252 1.3252 1.6250 1.6250 1.7429 1.7429 2.2247 2.2247 2.3638 2.3638 3.5150 3.5150 3.5558 3.5558 4.7289 4.7289 4.8704 4.8704 5.1315 5.1315 5.2140 5.2140 5.5601 5.5601 5.8372 5.8372 6.3174 6.3174 6.6576 6.6576 7.6526 7.6526 8.5124 8.5124 14.1341 14.1341 14.3249 14.3249 17.8564 17.8564 18.6993 18.6993 k = 0.0000 0.3429 0.4937 ( 2858 PWs) bands (ev): -16.1965 -16.1965 -16.1029 -16.1029 -15.9168 -15.9168 -15.9025 -15.9025 -0.1423 -0.1423 0.2496 0.2496 0.6466 0.6466 0.7965 0.7965 0.9054 0.9054 1.2874 1.2874 1.6470 1.6470 1.7841 1.7841 2.2247 2.2247 2.3986 2.3986 3.4969 3.4969 3.5457 3.5457 4.7160 4.7160 4.8569 4.8569 5.1196 5.1196 5.2040 5.2040 5.5673 5.5673 5.8500 5.8500 6.2752 6.2752 6.6100 6.6100 7.6653 7.6653 8.5357 8.5357 14.2112 14.2112 14.3997 14.3997 17.8399 17.8399 18.7561 18.7561 k = 0.0000 0.3572 0.4937 ( 2864 PWs) bands (ev): -16.1918 -16.1918 -16.0955 -16.0955 -15.9193 -15.9193 -15.9059 -15.9059 -0.1546 -0.1546 0.2446 0.2446 0.6627 0.6627 0.8269 0.8269 0.8757 0.8757 1.2501 1.2501 1.6693 1.6693 1.8244 1.8244 2.2252 2.2252 2.4341 2.4341 3.4784 3.4784 3.5354 3.5354 4.7028 4.7028 4.8420 4.8420 5.1064 5.1064 5.1928 5.1928 5.5748 5.5748 5.8629 5.8629 6.2338 6.2338 6.5624 6.5624 7.6785 7.6785 8.5590 8.5590 14.2905 14.2905 14.4759 14.4759 17.8165 17.8165 18.8074 18.8074 k = 0.0000 0.3715 0.4937 ( 2862 PWs) bands (ev): -16.1871 -16.1871 -16.0882 -16.0882 -15.9218 -15.9218 -15.9093 -15.9093 -0.1668 -0.1668 0.2373 0.2373 0.6813 0.6813 0.8467 0.8467 0.8587 0.8587 1.2140 1.2140 1.6918 1.6918 1.8632 1.8632 2.2264 2.2264 2.4702 2.4702 3.4598 3.4598 3.5249 3.5249 4.6894 4.6894 4.8257 4.8257 5.0920 5.0920 5.1806 5.1806 5.5827 5.5827 5.8755 5.8755 6.1938 6.1938 6.5152 6.5152 7.6922 7.6922 8.5822 8.5822 14.3718 14.3718 14.5533 14.5533 17.7861 17.7861 18.8506 18.8506 k = 0.0000 0.3858 0.4937 ( 2862 PWs) bands (ev): -16.1824 -16.1824 -16.0809 -16.0809 -15.9242 -15.9242 -15.9128 -15.9128 -0.1787 -0.1787 0.2278 0.2278 0.7016 0.7016 0.8210 0.8210 0.8891 0.8891 1.1797 1.1797 1.7142 1.7142 1.9004 1.9004 2.2286 2.2286 2.5065 2.5065 3.4412 3.4412 3.5146 3.5146 4.6758 4.6758 4.8081 4.8081 5.0762 5.0762 5.1675 5.1675 5.5906 5.5906 5.8878 5.8878 6.1555 6.1555 6.4687 6.4687 7.7062 7.7062 8.6052 8.6052 14.4550 14.4550 14.6319 14.6319 17.7484 17.7484 18.8830 18.8830 k = 0.0000 0.4001 0.4937 ( 2859 PWs) bands (ev): -16.1776 -16.1776 -16.0738 -16.0738 -15.9266 -15.9266 -15.9162 -15.9162 -0.1904 -0.1904 0.2163 0.2163 0.7223 0.7223 0.7980 0.7980 0.9192 0.9192 1.1479 1.1479 1.7364 1.7364 1.9354 1.9354 2.2319 2.2319 2.5429 2.5429 3.4227 3.4227 3.5043 3.5043 4.6621 4.6621 4.7893 4.7893 5.0592 5.0592 5.1538 5.1538 5.5984 5.5984 5.8992 5.8992 6.1195 6.1195 6.4230 6.4230 7.7203 7.7203 8.6280 8.6280 14.5401 14.5401 14.7117 14.7117 17.7033 17.7033 18.9016 18.9016 k = 0.0000 0.4143 0.4937 ( 2859 PWs) bands (ev): -16.1728 -16.1728 -16.0669 -16.0669 -15.9290 -15.9290 -15.9196 -15.9196 -0.2018 -0.2018 0.2032 0.2032 0.7376 0.7376 0.7836 0.7836 0.9471 0.9471 1.1200 1.1200 1.7584 1.7584 1.9677 1.9677 2.2366 2.2366 2.5793 2.5793 3.4046 3.4046 3.4943 3.4943 4.6482 4.6482 4.7694 4.7694 5.0409 5.0409 5.1394 5.1394 5.6058 5.6058 5.9092 5.9092 6.0864 6.0864 6.3785 6.3785 7.7342 7.7342 8.6506 8.6506 14.6268 14.6268 14.7925 14.7925 17.6511 17.6511 18.9036 18.9036 k = 0.0000 0.4286 0.4937 ( 2857 PWs) bands (ev): -16.1681 -16.1681 -16.0601 -16.0601 -15.9314 -15.9314 -15.9228 -15.9228 -0.2129 -0.2129 0.1888 0.1888 0.7334 0.7334 0.7918 0.7918 0.9695 0.9695 1.0992 1.0992 1.7801 1.7801 1.9969 1.9969 2.2431 2.2431 2.6154 2.6154 3.3870 3.3870 3.4847 3.4847 4.6342 4.6342 4.7486 4.7486 5.0216 5.0216 5.1246 5.1246 5.6126 5.6126 5.9166 5.9166 6.0576 6.0576 6.3355 6.3355 7.7480 7.7480 8.6728 8.6728 14.7151 14.7151 14.8744 14.8744 17.5919 17.5919 18.8876 18.8876 k = 0.0000 0.4429 0.4937 ( 2861 PWs) bands (ev): -16.1635 -16.1635 -16.0535 -16.0535 -15.9340 -15.9340 -15.9258 -15.9258 -0.2238 -0.2238 0.1731 0.1731 0.7172 0.7172 0.8145 0.8145 0.9800 0.9800 1.0920 1.0920 1.8015 1.8015 2.0223 2.0223 2.2517 2.2517 2.6511 2.6511 3.3700 3.3700 3.4755 3.4755 4.6202 4.6202 4.7270 4.7270 5.0014 5.0014 5.1093 5.1093 5.6184 5.6184 5.9196 5.9196 6.0349 6.0349 6.2942 6.2942 7.7613 7.7613 8.6945 8.6945 14.8049 14.8049 14.9572 14.9572 17.5260 17.5260 18.8540 18.8540 k = 0.0000 0.4572 0.4937 ( 2863 PWs) bands (ev): -16.1589 -16.1589 -16.0472 -16.0472 -15.9367 -15.9367 -15.9284 -15.9284 -0.2345 -0.2345 0.1566 0.1566 0.6996 0.6996 0.8411 0.8411 0.9746 0.9746 1.1023 1.1023 1.8226 1.8226 2.0435 2.0435 2.2627 2.2627 2.6861 2.6861 3.3540 3.3540 3.4667 3.4667 4.6061 4.6061 4.7046 4.7046 4.9805 4.9805 5.0938 5.0938 5.6229 5.6229 5.9162 5.9162 6.0207 6.0207 6.2549 6.2549 7.7741 7.7741 8.7159 8.7159 14.8961 14.8961 15.0410 15.0410 17.4539 17.4539 18.8046 18.8046 k = 0.0000 0.4715 0.4937 ( 2866 PWs) bands (ev): -16.1546 -16.1546 -16.0412 -16.0412 -15.9396 -15.9396 -15.9306 -15.9306 -0.2448 -0.2448 0.1395 0.1395 0.6826 0.6826 0.8689 0.8689 0.9594 0.9594 1.1241 1.1241 1.8433 1.8433 2.0601 2.0601 2.2760 2.2760 2.7203 2.7203 3.3391 3.3391 3.4586 3.4586 4.5921 4.5921 4.6816 4.6816 4.9592 4.9592 5.0780 5.0780 5.6258 5.6258 5.9063 5.9063 6.0150 6.0150 6.2182 6.2182 7.7863 7.7863 8.7367 8.7367 14.9885 14.9885 15.1257 15.1257 17.3760 17.3760 18.7424 18.7424 k = 0.0000 0.4858 0.4937 ( 2862 PWs) bands (ev): -16.1504 -16.1504 -16.0354 -16.0354 -15.9427 -15.9427 -15.9323 -15.9323 -0.2549 -0.2549 0.1220 0.1220 0.6667 0.6667 0.8954 0.8954 0.9425 0.9425 1.1507 1.1507 1.8638 1.8638 2.0723 2.0723 2.2915 2.2915 2.7532 2.7532 3.3257 3.3257 3.4510 3.4510 4.5782 4.5782 4.6580 4.6580 4.9379 4.9379 5.0622 5.0622 5.6269 5.6269 5.8926 5.8926 6.0150 6.0150 6.1845 6.1845 7.7977 7.7977 8.7570 8.7570 15.0821 15.0821 15.2112 15.2112 17.2928 17.2928 18.6704 18.6704 k = 0.0000 0.5001 0.4937 ( 2856 PWs) bands (ev): -16.1465 -16.1465 -16.0300 -16.0300 -15.9459 -15.9459 -15.9336 -15.9336 -0.2646 -0.2646 0.1042 0.1042 0.6521 0.6521 0.9070 0.9070 0.9405 0.9405 1.1788 1.1788 1.8839 1.8839 2.0803 2.0803 2.3086 2.3086 2.7846 2.7846 3.3142 3.3142 3.4439 3.4439 4.5646 4.5646 4.6342 4.6342 4.9166 4.9166 5.0464 5.0464 5.6258 5.6258 5.8784 5.8784 6.0167 6.0167 6.1549 6.1549 7.8083 7.8083 8.7767 8.7767 15.1767 15.1767 15.2975 15.2975 17.2048 17.2048 18.5912 18.5912 k = 0.0000 0.5144 0.4937 ( 2854 PWs) bands (ev): -16.1428 -16.1428 -16.0249 -16.0249 -15.9490 -15.9490 -15.9345 -15.9345 -0.2741 -0.2741 0.0865 0.0865 0.6387 0.6387 0.8935 0.8935 0.9645 0.9645 1.2071 1.2071 1.9037 1.9037 2.0846 2.0846 2.3268 2.3268 2.8140 2.8140 3.3050 3.3050 3.4375 3.4375 4.5510 4.5510 4.6100 4.6100 4.8957 4.8957 5.0308 5.0308 5.6224 5.6224 5.8656 5.8656 6.0171 6.0171 6.1307 6.1307 7.8180 7.8180 8.7958 8.7958 15.2722 15.2722 15.3846 15.3846 17.1127 17.1127 18.5071 18.5071 k = 0.0000 0.5286 0.4937 ( 2857 PWs) bands (ev): -16.1396 -16.1396 -16.0202 -16.0202 -15.9520 -15.9520 -15.9352 -15.9352 -0.2832 -0.2832 0.0691 0.0691 0.6265 0.6265 0.8763 0.8763 0.9934 0.9934 1.2346 1.2346 1.9231 1.9231 2.0857 2.0857 2.3452 2.3452 2.8408 2.8408 3.2985 3.2985 3.4315 3.4315 4.5377 4.5377 4.5856 4.5856 4.8754 4.8754 5.0154 5.0154 5.6167 5.6167 5.8551 5.8551 6.0131 6.0131 6.1140 6.1140 7.8266 7.8266 8.8141 8.8141 15.3686 15.3686 15.4724 15.4724 17.0167 17.0167 18.4197 18.4197 k = 0.0000 0.5429 0.4937 ( 2860 PWs) bands (ev): -16.1368 -16.1368 -16.0159 -16.0159 -15.9547 -15.9547 -15.9355 -15.9355 -0.2919 -0.2919 0.0520 0.0520 0.6153 0.6153 0.8597 0.8597 1.0229 1.0229 1.2611 1.2611 1.9422 1.9422 2.0842 2.0842 2.3633 2.3633 2.8646 2.8646 3.2952 3.2952 3.4260 3.4260 4.5245 4.5245 4.5614 4.5614 4.8558 4.8558 5.0005 5.0005 5.6093 5.6093 5.8471 5.8471 6.0035 6.0035 6.1056 6.1056 7.8342 7.8342 8.8318 8.8318 15.4657 15.4657 15.5610 15.5610 16.9175 16.9175 18.3303 18.3303 k = 0.0000 0.5572 0.4937 ( 2860 PWs) bands (ev): -16.1344 -16.1344 -16.0120 -16.0120 -15.9572 -15.9572 -15.9356 -15.9356 -0.3004 -0.3004 0.0354 0.0354 0.6051 0.6051 0.8446 0.8446 1.0524 1.0524 1.2860 1.2860 1.9610 1.9610 2.0804 2.0804 2.3806 2.3806 2.8850 2.8850 3.2957 3.2957 3.4209 3.4209 4.5112 4.5112 4.5378 4.5378 4.8375 4.8375 4.9862 4.9862 5.6003 5.6003 5.8415 5.8415 5.9896 5.9896 6.1040 6.1040 7.8406 7.8406 8.8487 8.8487 15.5634 15.5634 15.6501 15.6501 16.8155 16.8155 18.2399 18.2399 k = 0.0000 0.5715 0.4937 ( 2860 PWs) bands (ev): -16.1326 -16.1326 -16.0085 -16.0085 -15.9593 -15.9593 -15.9354 -15.9354 -0.3084 -0.3084 0.0196 0.0196 0.5959 0.5959 0.8309 0.8309 1.0815 1.0815 1.3093 1.3093 1.9795 1.9795 2.0746 2.0746 2.3968 2.3968 2.9016 2.9016 3.3002 3.3002 3.4161 3.4161 4.4964 4.4964 4.5164 4.5164 4.8203 4.8203 4.9727 4.9727 5.5907 5.5907 5.8376 5.8376 5.9741 5.9741 6.1065 6.1065 7.8457 7.8457 8.8648 8.8648 15.6615 15.6615 15.7399 15.7399 16.7111 16.7111 18.1491 18.1491 k = 0.0000 0.5858 0.4937 ( 2858 PWs) bands (ev): -16.1314 -16.1314 -16.0053 -16.0053 -15.9610 -15.9610 -15.9350 -15.9350 -0.3161 -0.3161 0.0046 0.0046 0.5874 0.5874 0.8190 0.8190 1.1101 1.1101 1.3305 1.3305 1.9975 1.9975 2.0670 2.0670 2.4116 2.4116 2.9143 2.9143 3.3089 3.3089 3.4114 3.4114 4.4776 4.4776 4.4998 4.4998 4.8045 4.8045 4.9602 4.9602 5.5808 5.5808 5.8352 5.8352 5.9591 5.9591 6.1110 6.1110 7.8496 7.8496 8.8802 8.8802 15.7598 15.7598 15.8301 15.8301 16.6048 16.6048 18.0586 18.0586 k = 0.0000 0.6001 0.4937 ( 2858 PWs) bands (ev): -16.1308 -16.1308 -16.0024 -16.0024 -15.9623 -15.9623 -15.9345 -15.9345 -0.3234 -0.3234 -0.0095 -0.0095 0.5798 0.5798 0.8088 0.8088 1.1379 1.1379 1.3496 1.3496 2.0151 2.0151 2.0579 2.0579 2.4247 2.4247 2.9233 2.9233 3.3214 3.3214 3.4069 3.4069 4.4555 4.4555 4.4877 4.4877 4.7904 4.7904 4.9488 4.9488 5.5712 5.5712 5.8337 5.8337 5.9455 5.9455 6.1163 6.1163 7.8521 7.8521 8.8946 8.8946 15.8579 15.8579 15.9208 15.9208 16.4972 16.4972 17.9688 17.9688 k = 0.0000 0.6144 0.4937 ( 2858 PWs) bands (ev): -16.1310 -16.1310 -15.9999 -15.9999 -15.9631 -15.9631 -15.9338 -15.9338 -0.3303 -0.3303 -0.0226 -0.0226 0.5728 0.5728 0.8002 0.8002 1.1648 1.1648 1.3663 1.3663 2.0318 2.0318 2.0476 2.0476 2.4361 2.4361 2.9289 2.9289 3.3374 3.3374 3.4024 3.4024 4.4321 4.4321 4.4782 4.4782 4.7779 4.7779 4.9385 4.9385 5.5624 5.5624 5.8328 5.8328 5.9343 5.9343 6.1217 6.1217 7.8533 7.8533 8.9083 8.9083 15.9549 15.9549 16.0115 16.0115 16.3895 16.3895 17.8803 17.8803 k = 0.0000 0.6287 0.4937 ( 2854 PWs) bands (ev): -16.1318 -16.1318 -15.9976 -15.9976 -15.9634 -15.9634 -15.9330 -15.9330 -0.3367 -0.3367 -0.0346 -0.0346 0.5665 0.5665 0.7934 0.7934 1.1907 1.1907 1.3807 1.3807 2.0345 2.0345 2.0495 2.0495 2.4455 2.4455 2.9319 2.9319 3.3557 3.3557 3.3981 3.3981 4.4088 4.4088 4.4704 4.4704 4.7674 4.7674 4.9297 4.9297 5.5547 5.5547 5.8321 5.8321 5.9256 5.9256 6.1270 6.1270 7.8531 7.8531 8.9210 8.9210 16.0476 16.0476 16.1016 16.1016 16.2858 16.2858 17.7932 17.7932 k = 0.0000 0.6429 0.4937 ( 2852 PWs) bands (ev): -16.1333 -16.1333 -15.9956 -15.9956 -15.9632 -15.9632 -15.9321 -15.9321 -0.3428 -0.3428 -0.0455 -0.0455 0.5608 0.5608 0.7882 0.7882 1.2153 1.2153 1.3926 1.3926 2.0218 2.0218 2.0648 2.0648 2.4530 2.4530 2.9329 2.9329 3.3740 3.3740 3.3957 3.3957 4.3858 4.3858 4.4641 4.4641 4.7586 4.7586 4.9223 4.9223 5.5484 5.5484 5.8315 5.8315 5.9196 5.9196 6.1320 6.1320 7.8515 7.8515 8.9328 8.9328 16.1011 16.1011 16.1863 16.1863 16.2252 16.2252 17.7083 17.7083 k = 0.0000 0.6429 0.4937 ( 2852 PWs) bands (ev): -16.1333 -16.1333 -15.9956 -15.9956 -15.9632 -15.9632 -15.9321 -15.9321 -0.3428 -0.3428 -0.0455 -0.0455 0.5608 0.5608 0.7882 0.7882 1.2153 1.2153 1.3926 1.3926 2.0218 2.0218 2.0648 2.0648 2.4530 2.4530 2.9329 2.9329 3.3740 3.3740 3.3957 3.3957 4.3858 4.3858 4.4641 4.4641 4.7586 4.7586 4.9223 4.9223 5.5484 5.5484 5.8315 5.8315 5.9196 5.9196 6.1320 6.1320 7.8515 7.8515 8.9328 8.9328 16.1011 16.1011 16.1863 16.1863 16.2252 16.2252 17.7083 17.7083 k = 0.0000 0.6443 0.4794 ( 2849 PWs) bands (ev): -16.1316 -16.1316 -16.0005 -16.0005 -15.9628 -15.9628 -15.9294 -15.9294 -0.3398 -0.3398 -0.0329 -0.0329 0.5516 0.5516 0.7912 0.7912 1.2034 1.2034 1.3967 1.3967 2.0363 2.0363 2.0497 2.0497 2.4550 2.4550 2.9371 2.9371 3.3324 3.3324 3.3738 3.3738 4.4228 4.4228 4.4866 4.4866 4.7627 4.7627 4.9272 4.9272 5.5561 5.5561 5.8329 5.8329 5.9238 5.9238 6.1288 6.1288 7.8438 7.8438 8.9103 8.9103 16.0711 16.0711 16.1302 16.1302 16.2771 16.2771 17.7846 17.7846 k = 0.0000 0.6457 0.4652 ( 2849 PWs) bands (ev): -16.1302 -16.1302 -16.0056 -16.0056 -15.9620 -15.9620 -15.9264 -15.9264 -0.3370 -0.3370 -0.0188 -0.0188 0.5398 0.5398 0.7949 0.7949 1.1929 1.1929 1.4019 1.4019 2.0270 2.0270 2.0568 2.0568 2.4571 2.4571 2.9405 2.9405 3.2881 3.2881 3.3508 3.3508 4.4603 4.4603 4.5123 4.5123 4.7675 4.7675 4.9329 4.9329 5.5651 5.5651 5.8345 5.8345 5.9295 5.9295 6.1255 6.1255 7.8337 7.8337 8.8847 8.8847 16.0174 16.0174 16.0702 16.0702 16.3613 16.3613 17.8639 17.8639 k = 0.0000 0.6471 0.4509 ( 2853 PWs) bands (ev): -16.1290 -16.1290 -16.0108 -16.0108 -15.9610 -15.9610 -15.9234 -15.9234 -0.3342 -0.3342 -0.0033 -0.0033 0.5255 0.5255 0.7995 0.7995 1.1840 1.1840 1.4081 1.4081 2.0082 2.0082 2.0718 2.0718 2.4595 2.4595 2.9420 2.9420 3.2441 3.2441 3.3260 3.3260 4.4970 4.4970 4.5409 4.5409 4.7729 4.7729 4.9396 4.9396 5.5754 5.5754 5.8363 5.8363 5.9366 5.9366 6.1223 6.1223 7.8211 7.8211 8.8561 8.8561 15.9612 15.9612 16.0110 16.0110 16.4518 16.4518 17.9458 17.9458 k = 0.0000 0.6484 0.4366 ( 2853 PWs) bands (ev): -16.1281 -16.1281 -16.0161 -16.0161 -15.9596 -15.9596 -15.9204 -15.9204 -0.3315 -0.3315 0.0136 0.0136 0.5091 0.5091 0.8050 0.8050 1.1768 1.1768 1.4151 1.4151 1.9884 1.9884 2.0861 2.0861 2.4618 2.4618 2.9401 2.9401 3.2025 3.2025 3.2998 3.2998 4.5315 4.5315 4.5724 4.5724 4.7793 4.7793 4.9476 4.9476 5.5869 5.5869 5.8384 5.8384 5.9451 5.9451 6.1192 6.1192 7.8063 7.8063 8.8246 8.8246 15.9057 15.9057 15.9535 15.9535 16.5448 16.5448 18.0301 18.0301 k = 0.0000 0.6498 0.4224 ( 2859 PWs) bands (ev): -16.1275 -16.1275 -16.0215 -16.0215 -15.9579 -15.9579 -15.9174 -15.9174 -0.3287 -0.3287 0.0318 0.0318 0.4907 0.4907 0.8115 0.8115 1.1713 1.1713 1.4227 1.4227 1.9680 1.9680 2.0992 2.0992 2.4638 2.4638 2.9323 2.9323 3.1661 3.1661 3.2729 3.2729 4.5629 4.5629 4.6065 4.6065 4.7869 4.7869 4.9569 4.9569 5.5992 5.5992 5.8409 5.8409 5.9547 5.9547 6.1165 6.1165 7.7892 7.7892 8.7903 8.7903 15.8518 15.8518 15.8979 15.8979 16.6392 16.6392 18.1167 18.1167 k = 0.0000 0.6512 0.4081 ( 2859 PWs) bands (ev): -16.1272 -16.1272 -16.0268 -16.0268 -15.9559 -15.9559 -15.9144 -15.9144 -0.3259 -0.3259 0.0511 0.0511 0.4707 0.4707 0.8188 0.8188 1.1675 1.1675 1.4308 1.4308 1.9474 1.9474 2.1107 2.1107 2.4654 2.4654 2.9160 2.9160 3.1377 3.1377 3.2460 3.2460 4.5912 4.5912 4.6419 4.6419 4.7962 4.7962 4.9679 4.9679 5.6122 5.6122 5.8441 5.8441 5.9651 5.9651 6.1147 6.1147 7.7700 7.7700 8.7533 8.7533 15.7997 15.7997 15.8442 15.8442 16.7345 16.7345 18.2052 18.2052 k = 0.0000 0.6526 0.3939 ( 2855 PWs) bands (ev): -16.1270 -16.1270 -16.0322 -16.0322 -15.9536 -15.9536 -15.9114 -15.9114 -0.3231 -0.3231 0.0714 0.0714 0.4496 0.4496 0.8271 0.8271 1.1653 1.1653 1.4390 1.4390 1.9269 1.9269 2.1206 2.1206 2.4660 2.4660 2.8896 2.8896 3.1192 3.1192 3.2198 3.2198 4.6166 4.6166 4.6767 4.6767 4.8078 4.8078 4.9810 4.9810 5.6255 5.6255 5.8481 5.8481 5.9756 5.9756 6.1144 6.1144 7.7489 7.7489 8.7138 8.7138 15.7497 15.7497 15.7927 15.7927 16.8305 16.8305 18.2955 18.2955 k = 0.0000 0.6539 0.3796 ( 2853 PWs) bands (ev): -16.1270 -16.1270 -16.0375 -16.0375 -15.9511 -15.9511 -15.9086 -15.9086 -0.3202 -0.3202 0.0925 0.0925 0.4278 0.4278 0.8363 0.8363 1.1646 1.1646 1.4471 1.4471 1.9067 1.9067 2.1288 2.1288 2.4654 2.4654 2.8540 2.8540 3.1097 3.1097 3.1949 3.1949 4.6392 4.6392 4.7089 4.7089 4.8229 4.8229 4.9962 4.9962 5.6388 5.6388 5.8533 5.8533 5.9854 5.9854 6.1163 6.1163 7.7260 7.7260 8.6718 8.6718 15.7018 15.7018 15.7433 15.7433 16.9269 16.9269 18.3874 18.3874 k = 0.0000 0.6553 0.3653 ( 2861 PWs) bands (ev): -16.1272 -16.1272 -16.0428 -16.0428 -15.9484 -15.9484 -15.9059 -15.9059 -0.3172 -0.3172 0.1137 0.1137 0.4060 0.4060 0.8464 0.8464 1.1651 1.1651 1.4548 1.4548 1.8871 1.8871 2.1351 2.1351 2.4628 2.4628 2.8117 2.8117 3.1067 3.1067 3.1721 3.1721 4.6589 4.6589 4.7365 4.7365 4.8426 4.8426 5.0138 5.0138 5.6515 5.6515 5.8599 5.8599 5.9935 5.9935 6.1213 6.1213 7.7013 7.7013 8.6273 8.6273 15.6562 15.6562 15.6960 15.6960 17.0235 17.0235 18.4807 18.4807 k = 0.0000 0.6567 0.3511 ( 2861 PWs) bands (ev): -16.1275 -16.1275 -16.0480 -16.0480 -15.9455 -15.9455 -15.9033 -15.9033 -0.3140 -0.3140 0.1343 0.1343 0.3853 0.3853 0.8573 0.8573 1.1669 1.1669 1.4618 1.4618 1.8684 1.8684 2.1398 2.1398 2.4579 2.4579 2.7654 2.7654 3.1076 3.1076 3.1523 3.1523 4.6761 4.6761 4.7582 4.7582 4.8680 4.8680 5.0338 5.0338 5.6634 5.6634 5.8683 5.8683 5.9990 5.9990 6.1306 6.1306 7.6751 7.6751 8.5808 8.5808 15.6127 15.6127 15.6510 15.6510 17.1202 17.1202 18.5750 18.5750 k = 0.0000 0.6580 0.3368 ( 2853 PWs) bands (ev): -16.1278 -16.1278 -16.0531 -16.0531 -15.9424 -15.9424 -15.9009 -15.9009 -0.3105 -0.3105 0.1532 0.1532 0.3672 0.3672 0.8690 0.8690 1.1698 1.1698 1.4677 1.4677 1.8511 1.8511 2.1429 2.1429 2.4503 2.4503 2.7169 2.7169 3.1096 3.1096 3.1370 3.1370 4.6907 4.6907 4.7745 4.7745 4.8981 4.8981 5.0563 5.0563 5.6739 5.6739 5.8787 5.8787 6.0017 6.0017 6.1445 6.1445 7.6477 7.6477 8.5322 8.5322 15.5715 15.5715 15.6082 15.6082 17.2168 17.2168 18.6701 18.6701 k = 0.0000 0.6594 0.3226 ( 2857 PWs) bands (ev): -16.1283 -16.1283 -16.0581 -16.0581 -15.9392 -15.9392 -15.8986 -15.8986 -0.3069 -0.3069 0.1679 0.1679 0.3540 0.3540 0.8813 0.8813 1.1736 1.1736 1.4721 1.4721 1.8354 1.8354 2.1443 2.1443 2.4394 2.4394 2.6676 2.6676 3.1081 3.1081 3.1299 3.1299 4.7031 4.7031 4.7865 4.7865 4.9313 4.9313 5.0808 5.0808 5.6828 5.6828 5.8909 5.8909 6.0018 6.0018 6.1625 6.1625 7.6192 7.6192 8.4815 8.4815 15.5325 15.5325 15.5677 15.5677 17.3130 17.3130 18.7653 18.7653 k = 0.0000 0.6608 0.3083 ( 2860 PWs) bands (ev): -16.1288 -16.1288 -16.0630 -16.0630 -15.9360 -15.9360 -15.8964 -15.8964 -0.3030 -0.3030 0.1755 0.1755 0.3490 0.3490 0.8941 0.8941 1.1782 1.1782 1.4747 1.4747 1.8216 1.8216 2.1442 2.1442 2.4252 2.4252 2.6181 2.6181 3.1018 3.1018 3.1320 3.1320 4.7137 4.7137 4.7955 4.7955 4.9660 4.9660 5.1071 5.1071 5.6898 5.6898 5.9045 5.9045 6.0007 6.0007 6.1841 6.1841 7.5899 7.5899 8.4292 8.4292 15.4959 15.4959 15.5293 15.5293 17.4088 17.4088 18.8602 18.8602 k = 0.0000 0.6622 0.2940 ( 2860 PWs) bands (ev): -16.1292 -16.1292 -16.0679 -16.0679 -15.9327 -15.9327 -15.8944 -15.8944 -0.2988 -0.2988 0.1736 0.1736 0.3546 0.3546 0.9073 0.9073 1.1836 1.1836 1.4751 1.4751 1.8103 1.8103 2.1427 2.1427 2.4076 2.4076 2.5693 2.5693 3.0959 3.0959 3.1376 3.1376 4.7229 4.7229 4.8024 4.8024 5.0012 5.0012 5.1347 5.1347 5.6951 5.6951 5.9183 5.9183 6.0000 6.0000 6.2084 6.2084 7.5601 7.5601 8.3753 8.3753 15.4614 15.4614 15.4932 15.4932 17.5039 17.5039 18.9539 18.9539 k = 0.0000 0.6635 0.2798 ( 2858 PWs) bands (ev): -16.1297 -16.1297 -16.0725 -16.0725 -15.9293 -15.9293 -15.8926 -15.8926 -0.2941 -0.2941 0.1629 0.1629 0.3702 0.3702 0.9206 0.9206 1.1897 1.1897 1.4731 1.4731 1.8014 1.8014 2.1399 2.1399 2.3869 2.3869 2.5217 2.5217 3.0924 3.0924 3.1441 3.1441 4.7310 4.7310 4.8075 4.8075 5.0362 5.0362 5.1632 5.1632 5.6986 5.6986 5.9296 5.9296 6.0028 6.0028 6.2348 6.2348 7.5302 7.5302 8.3200 8.3200 15.4293 15.4293 15.4593 15.4593 17.5982 17.5982 19.0449 19.0449 k = 0.0000 0.6649 0.2655 ( 2864 PWs) bands (ev): -16.1301 -16.1301 -16.0771 -16.0771 -15.9259 -15.9259 -15.8910 -15.8910 -0.2890 -0.2890 0.1462 0.1462 0.3931 0.3931 0.9339 0.9339 1.1963 1.1963 1.4685 1.4685 1.7953 1.7953 2.1358 2.1358 2.3634 2.3634 2.4757 2.4757 3.0917 3.0917 3.1509 3.1509 4.7380 4.7380 4.8113 4.8113 5.0706 5.0706 5.1921 5.1921 5.7008 5.7008 5.9347 5.9347 6.0125 6.0125 6.2626 6.2626 7.5006 7.5006 8.2635 8.2635 15.3994 15.3994 15.4276 15.4276 17.6915 17.6915 19.1313 19.1313 k = 0.0000 0.6663 0.2513 ( 2863 PWs) bands (ev): -16.1304 -16.1304 -16.0815 -16.0815 -15.9226 -15.9226 -15.8896 -15.8896 -0.2834 -0.2834 0.1259 0.1259 0.4209 0.4209 0.9466 0.9466 1.2035 1.2035 1.4614 1.4614 1.7918 1.7918 2.1303 2.1303 2.3377 2.3377 2.4317 2.4317 3.0934 3.0934 3.1574 3.1574 4.7443 4.7443 4.8140 4.8140 5.1043 5.1043 5.2210 5.2210 5.7017 5.7017 5.9330 5.9330 6.0300 6.0300 6.2913 6.2913 7.4718 7.4718 8.2059 8.2059 15.3717 15.3717 15.3982 15.3982 17.7837 17.7837 19.2094 19.2094 k = 0.0000 0.6677 0.2370 ( 2862 PWs) bands (ev): -16.1307 -16.1307 -16.0857 -16.0857 -15.9193 -15.9193 -15.8883 -15.8883 -0.2772 -0.2772 0.1037 0.1037 0.4518 0.4518 0.9586 0.9586 1.2110 1.2110 1.4522 1.4522 1.7909 1.7909 2.1235 2.1235 2.3105 2.3105 2.3901 2.3901 3.0971 3.0971 3.1636 3.1636 4.7501 4.7501 4.8159 4.8159 5.1371 5.1371 5.2495 5.2495 5.7019 5.7019 5.9264 5.9264 6.0531 6.0531 6.3200 6.3200 7.4444 7.4444 8.1474 8.1474 15.3462 15.3462 15.3709 15.3709 17.8746 17.8746 19.2737 19.2737 k = 0.0000 0.6690 0.2227 ( 2860 PWs) bands (ev): -16.1308 -16.1308 -16.0898 -16.0898 -15.9161 -15.9161 -15.8873 -15.8873 -0.2705 -0.2705 0.0807 0.0807 0.4850 0.4850 0.9693 0.9693 1.2190 1.2190 1.4413 1.4413 1.7921 1.7921 2.1150 2.1150 2.2829 2.2829 2.3509 2.3509 3.1025 3.1025 3.1693 3.1693 4.7555 4.7555 4.8169 4.8169 5.1686 5.1686 5.2771 5.2771 5.7015 5.7015 5.9169 5.9169 6.0795 6.0795 6.3482 6.3482 7.4190 7.4190 8.0884 8.0884 15.3230 15.3230 15.3457 15.3457 17.9641 17.9641 19.3166 19.3166 k = 0.0000 0.6704 0.2085 ( 2860 PWs) bands (ev): -16.1309 -16.1309 -16.0937 -16.0937 -15.9130 -15.9130 -15.8864 -15.8864 -0.2631 -0.2631 0.0574 0.0574 0.5196 0.5196 0.9782 0.9782 1.2274 1.2274 1.4290 1.4290 1.7953 1.7953 2.1047 2.1047 2.2557 2.2557 2.3145 2.3145 3.1091 3.1091 3.1744 3.1744 4.7604 4.7604 4.8173 4.8173 5.1988 5.1988 5.3035 5.3035 5.7009 5.7009 5.9057 5.9057 6.1082 6.1082 6.3751 6.3751 7.3965 7.3965 8.0290 8.0290 15.3019 15.3019 15.3228 15.3228 18.0520 18.0520 19.3319 19.3319 k = 0.0000 0.6718 0.1942 ( 2858 PWs) bands (ev): -16.1308 -16.1308 -16.0974 -16.0974 -15.9100 -15.9100 -15.8858 -15.8858 -0.2550 -0.2550 0.0342 0.0342 0.5553 0.5553 0.9848 0.9848 1.2361 1.2361 1.4161 1.4161 1.8000 1.8000 2.0922 2.0922 2.2302 2.2302 2.2810 2.2810 3.1166 3.1166 3.1788 3.1788 4.7651 4.7651 4.8171 4.8171 5.2276 5.2276 5.3281 5.3281 5.7004 5.7004 5.8932 5.8932 6.1384 6.1384 6.3996 6.3996 7.3776 7.3776 7.9695 7.9695 15.2831 15.2831 15.3019 15.3019 18.1382 18.1382 19.3208 19.3208 k = 0.0000 0.6731 0.1800 ( 2853 PWs) bands (ev): -16.1305 -16.1305 -16.1009 -16.1009 -15.9071 -15.9071 -15.8854 -15.8854 -0.2461 -0.2461 0.0114 0.0114 0.5918 0.5918 0.9885 0.9885 1.2450 1.2450 1.4031 1.4031 1.8062 1.8062 2.0772 2.0772 2.2073 2.2073 2.2505 2.2505 3.1245 3.1245 3.1824 3.1824 4.7697 4.7697 4.8165 4.8165 5.2550 5.2550 5.3506 5.3506 5.7004 5.7004 5.8797 5.8797 6.1696 6.1696 6.4211 6.4211 7.3633 7.3633 7.9101 7.9101 15.2663 15.2663 15.2832 15.2832 18.2227 18.2227 19.2905 19.2905 k = 0.0000 0.6745 0.1657 ( 2851 PWs) bands (ev): -16.1301 -16.1301 -16.1043 -16.1043 -15.9043 -15.9043 -15.8852 -15.8852 -0.2366 -0.2366 -0.0109 -0.0109 0.6286 0.6286 0.9885 0.9885 1.2541 1.2541 1.3903 1.3903 1.8136 1.8136 2.0596 2.0596 2.1877 2.1877 2.2234 2.2234 3.1327 3.1327 3.1852 3.1852 4.7739 4.7739 4.8154 4.8154 5.2807 5.2807 5.3704 5.3704 5.7014 5.7014 5.8654 5.8654 6.2013 6.2013 6.4384 6.4384 7.3545 7.3545 7.8511 7.8511 15.2518 15.2518 15.2666 15.2666 18.3054 18.3054 19.2480 19.2480 k = 0.0000 0.6759 0.1514 ( 2853 PWs) bands (ev): -16.1295 -16.1295 -16.1074 -16.1074 -15.9017 -15.9017 -15.8852 -15.8852 -0.2262 -0.2262 -0.0326 -0.0326 0.6656 0.6656 0.9845 0.9845 1.2633 1.2633 1.3781 1.3781 1.8223 1.8223 2.0395 2.0395 2.1716 2.1716 2.1999 2.1999 3.1408 3.1408 3.1871 3.1871 4.7779 4.7779 4.8138 4.8138 5.3047 5.3047 5.3870 5.3870 5.7037 5.7037 5.8505 5.8505 6.2333 6.2333 6.4507 6.4507 7.3521 7.3521 7.7929 7.7929 15.2393 15.2393 15.2521 15.2521 18.3861 18.3861 19.1980 19.1980 k = 0.0000 0.6773 0.1372 ( 2853 PWs) bands (ev): -16.1288 -16.1288 -16.1104 -16.1104 -15.8993 -15.8993 -15.8854 -15.8854 -0.2150 -0.2150 -0.0536 -0.0536 0.7024 0.7024 0.9762 0.9762 1.2727 1.2727 1.3668 1.3668 1.8323 1.8323 2.0177 2.0177 2.1587 2.1587 2.1801 2.1801 3.1487 3.1487 3.1881 3.1881 4.7819 4.7819 4.8120 4.8120 5.3268 5.3268 5.4000 5.4000 5.7077 5.7077 5.8352 5.8352 6.2651 6.2651 6.4574 6.4574 7.3568 7.3568 7.7360 7.7360 15.2290 15.2290 15.2397 15.2397 18.4648 18.4648 19.1432 19.1432 k = 0.0000 0.6786 0.1229 ( 2851 PWs) bands (ev): -16.1278 -16.1278 -16.1132 -16.1132 -15.8970 -15.8970 -15.8859 -15.8859 -0.2029 -0.2029 -0.0737 -0.0737 0.7387 0.7387 0.9633 0.9633 1.2821 1.2821 1.3562 1.3562 1.8438 1.8438 1.9948 1.9948 2.1488 2.1488 2.1642 2.1642 3.1561 3.1561 3.1882 3.1882 4.7856 4.7856 4.8099 4.8099 5.3471 5.3471 5.4090 5.4090 5.7138 5.7138 5.8195 5.8195 6.2964 6.2964 6.4582 6.4582 7.3689 7.3689 7.6806 7.6806 15.2207 15.2207 15.2293 15.2293 18.5416 18.5416 19.0850 19.0850 k = 0.0000 0.6800 0.1087 ( 2851 PWs) bands (ev): -16.1267 -16.1267 -16.1157 -16.1157 -15.8949 -15.8949 -15.8865 -15.8865 -0.1899 -0.1899 -0.0930 -0.0930 0.7742 0.7742 0.9460 0.9460 1.2916 1.2916 1.3465 1.3465 1.8569 1.8569 1.9716 1.9716 2.1415 2.1415 2.1520 2.1520 3.1630 3.1630 3.1874 3.1874 4.7892 4.7892 4.8075 4.8075 5.3651 5.3651 5.4138 5.4138 5.7220 5.7220 5.8037 5.8037 6.3266 6.3266 6.4529 6.4529 7.3883 7.3883 7.6273 7.6273 15.2146 15.2146 15.2210 15.2210 18.6164 18.6164 19.0242 19.0242 k = 0.0000 0.6814 0.0944 ( 2855 PWs) bands (ev): -16.1254 -16.1254 -16.1180 -16.1180 -15.8930 -15.8930 -15.8874 -15.8874 -0.1761 -0.1761 -0.1115 -0.1115 0.8085 0.8085 0.9247 0.9247 1.3009 1.3009 1.3372 1.3372 1.8717 1.8717 1.9489 1.9489 2.1366 2.1366 2.1431 2.1431 3.1691 3.1691 3.1856 3.1856 4.7927 4.7927 4.8049 4.8049 5.3808 5.3808 5.4143 5.4143 5.7323 5.7323 5.7879 5.7879 6.3554 6.3554 6.4420 6.4420 7.4147 7.4147 7.5766 7.5766 15.2105 15.2105 15.2148 15.2148 18.6892 18.6892 18.9612 18.9612 k = 0.0000 0.6828 0.0801 ( 2852 PWs) bands (ev): -16.1238 -16.1238 -16.1202 -16.1202 -15.8913 -15.8913 -15.8885 -15.8885 -0.1613 -0.1613 -0.1290 -0.1290 0.8412 0.8412 0.8998 0.8998 1.3101 1.3101 1.3282 1.3282 1.8884 1.8884 1.9272 1.9272 2.1343 2.1343 2.1374 2.1374 3.1746 3.1746 3.1828 3.1828 4.7960 4.7960 4.8021 4.8021 5.3939 5.3939 5.4110 5.4110 5.7444 5.7444 5.7726 5.7726 6.3820 6.3820 6.4261 6.4261 7.4475 7.4475 7.5294 7.5294 15.2085 15.2085 15.2106 15.2106 18.7601 18.7601 18.8961 18.8961 k = 0.0000 0.6841 0.0659 ( 2852 PWs) bands (ev): -16.1221 -16.1221 -16.1221 -16.1221 -15.8898 -15.8898 -15.8898 -15.8898 -0.1456 -0.1456 -0.1456 -0.1456 0.8718 0.8718 0.8718 0.8718 1.3192 1.3192 1.3192 1.3192 1.9070 1.9070 1.9070 1.9070 2.1345 2.1345 2.1345 2.1345 3.1791 3.1791 3.1791 3.1791 4.7991 4.7991 4.7991 4.7991 5.4041 5.4041 5.4041 5.4041 5.7580 5.7580 5.7580 5.7580 6.4058 6.4058 6.4058 6.4058 7.4860 7.4860 7.4860 7.4860 15.2085 15.2085 15.2085 15.2085 18.8290 18.8290 18.8290 18.8290 k = 0.0000 0.6841 0.0659 ( 2852 PWs) bands (ev): -16.1221 -16.1221 -16.1221 -16.1221 -15.8898 -15.8898 -15.8898 -15.8898 -0.1456 -0.1456 -0.1456 -0.1456 0.8718 0.8718 0.8718 0.8718 1.3192 1.3192 1.3192 1.3192 1.9070 1.9070 1.9070 1.9070 2.1345 2.1345 2.1345 2.1345 3.1791 3.1791 3.1791 3.1791 4.7991 4.7991 4.7991 4.7991 5.4041 5.4041 5.4041 5.4041 5.7580 5.7580 5.7580 5.7580 6.4058 6.4058 6.4058 6.4058 7.4860 7.4860 7.4860 7.4860 15.2085 15.2085 15.2085 15.2085 18.8290 18.8290 18.8290 18.8290 k = 0.0143 0.6841 0.0659 ( 2856 PWs) bands (ev): -16.1221 -16.1221 -16.1219 -16.1219 -15.8902 -15.8902 -15.8896 -15.8896 -0.1460 -0.1460 -0.1452 -0.1452 0.8691 0.8691 0.8707 0.8707 1.3177 1.3177 1.3233 1.3233 1.9067 1.9067 1.9072 1.9072 2.1344 2.1344 2.1384 2.1384 3.1782 3.1782 3.1794 3.1794 4.7974 4.7974 4.8005 4.8005 5.3942 5.3942 5.4106 5.4106 5.7479 5.7479 5.7692 5.7692 6.4003 6.4003 6.4063 6.4063 7.4850 7.4850 7.4932 7.4932 15.2091 15.2091 15.2101 15.2101 18.8248 18.8248 18.8290 18.8290 k = 0.0286 0.6841 0.0659 ( 2848 PWs) bands (ev): -16.1219 -16.1219 -16.1216 -16.1216 -15.8907 -15.8907 -15.8896 -15.8896 -0.1463 -0.1463 -0.1447 -0.1447 0.8628 0.8628 0.8660 0.8660 1.3188 1.3188 1.3298 1.3298 1.9063 1.9063 1.9074 1.9074 2.1380 2.1380 2.1461 2.1461 3.1765 3.1765 3.1788 3.1788 4.7955 4.7955 4.8016 4.8016 5.3814 5.3814 5.4133 5.4133 5.7395 5.7395 5.7812 5.7812 6.3901 6.3901 6.4018 6.4018 7.4904 7.4904 7.5065 7.5065 15.2117 15.2117 15.2139 15.2139 18.8162 18.8162 18.8245 18.8245 k = 0.0429 0.6841 0.0659 ( 2852 PWs) bands (ev): -16.1215 -16.1215 -16.1210 -16.1210 -15.8914 -15.8914 -15.8898 -15.8898 -0.1467 -0.1467 -0.1442 -0.1442 0.8531 0.8531 0.8580 0.8580 1.3222 1.3222 1.3382 1.3382 1.9057 1.9057 1.9077 1.9077 2.1453 2.1453 2.1574 2.1574 3.1740 3.1740 3.1776 3.1776 4.7932 4.7932 4.8022 4.8022 5.3659 5.3659 5.4119 5.4119 5.7330 5.7330 5.7936 5.7936 6.3755 6.3755 6.3925 6.3925 7.5017 7.5017 7.5252 7.5252 15.2166 15.2166 15.2198 15.2198 18.8032 18.8032 18.8154 18.8154 k = 0.0571 0.6841 0.0659 ( 2852 PWs) bands (ev): -16.1210 -16.1210 -16.1203 -16.1203 -15.8923 -15.8923 -15.8902 -15.8902 -0.1470 -0.1470 -0.1436 -0.1436 0.8405 0.8405 0.8473 0.8473 1.3275 1.3275 1.3481 1.3481 1.9052 1.9052 1.9082 1.9082 2.1561 2.1561 2.1721 2.1721 3.1710 3.1710 3.1756 3.1756 4.7907 4.7907 4.8025 4.8025 5.3480 5.3480 5.4064 5.4064 5.7285 5.7285 5.8061 5.8061 6.3570 6.3570 6.3788 6.3788 7.5187 7.5187 7.5490 7.5490 15.2235 15.2235 15.2278 15.2278 18.7857 18.7857 18.8015 18.8015 k = 0.0714 0.6841 0.0659 ( 2850 PWs) bands (ev): -16.1202 -16.1202 -16.1194 -16.1194 -15.8934 -15.8934 -15.8907 -15.8907 -0.1473 -0.1473 -0.1431 -0.1431 0.8256 0.8256 0.8344 0.8344 1.3343 1.3343 1.3591 1.3591 1.9046 1.9046 1.9090 1.9090 2.1703 2.1703 2.1901 2.1901 3.1673 3.1673 3.1730 3.1730 4.7878 4.7878 4.8024 4.8024 5.3280 5.3280 5.3968 5.3968 5.7262 5.7262 5.8184 5.8184 6.3354 6.3354 6.3613 6.3613 7.5408 7.5408 7.5771 7.5771 15.2327 15.2327 15.2380 15.2380 18.7634 18.7634 18.7826 18.7826 k = 0.0857 0.6841 0.0659 ( 2848 PWs) bands (ev): -16.1193 -16.1193 -16.1183 -16.1183 -15.8947 -15.8947 -15.8914 -15.8914 -0.1478 -0.1478 -0.1426 -0.1426 0.8090 0.8090 0.8199 0.8199 1.3421 1.3421 1.3704 1.3704 1.9043 1.9043 1.9102 1.9102 2.1877 2.1877 2.2110 2.2110 3.1631 3.1631 3.1698 3.1698 4.7847 4.7847 4.8019 4.8019 5.3061 5.3061 5.3832 5.3832 5.7259 5.7259 5.8304 5.8304 6.3111 6.3111 6.3407 6.3407 7.5674 7.5674 7.6089 7.6089 15.2440 15.2440 15.2503 15.2503 18.7362 18.7362 18.7583 18.7583 k = 0.1000 0.6841 0.0659 ( 2840 PWs) bands (ev): -16.1182 -16.1182 -16.1170 -16.1170 -15.8961 -15.8961 -15.8923 -15.8923 -0.1482 -0.1482 -0.1422 -0.1422 0.7913 0.7913 0.8043 0.8043 1.3504 1.3504 1.3818 1.3818 1.9042 1.9042 1.9120 1.9120 2.2080 2.2080 2.2346 2.2346 3.1584 3.1584 3.1661 3.1661 4.7814 4.7814 4.8010 4.8010 5.2826 5.2826 5.3663 5.3663 5.7273 5.7273 5.8417 5.8417 6.2849 6.2849 6.3176 6.3176 7.5978 7.5978 7.6438 7.6438 15.2575 15.2575 15.2648 15.2648 18.7040 18.7040 18.7284 18.7284 k = 0.1143 0.6841 0.0659 ( 2838 PWs) bands (ev): -16.1169 -16.1169 -16.1156 -16.1156 -15.8977 -15.8977 -15.8934 -15.8934 -0.1489 -0.1489 -0.1420 -0.1420 0.7729 0.7729 0.7881 0.7881 1.3588 1.3588 1.3928 1.3928 1.9046 1.9046 1.9144 1.9144 2.2310 2.2310 2.2604 2.2604 3.1534 3.1534 3.1619 3.1619 4.7777 4.7777 4.7995 4.7995 5.2574 5.2574 5.3461 5.3461 5.7299 5.7299 5.8523 5.8523 6.2573 6.2573 6.2927 6.2927 7.6313 7.6313 7.6811 7.6811 15.2731 15.2731 15.2815 15.2815 18.6665 18.6665 18.6926 18.6926 k = 0.1286 0.6841 0.0659 ( 2844 PWs) bands (ev): -16.1155 -16.1155 -16.1140 -16.1140 -15.8994 -15.8994 -15.8946 -15.8946 -0.1498 -0.1498 -0.1420 -0.1420 0.7543 0.7543 0.7717 0.7717 1.3670 1.3670 1.4030 1.4030 1.9056 1.9056 1.9175 1.9175 2.2563 2.2563 2.2881 2.2881 3.1482 3.1482 3.1574 3.1574 4.7737 4.7737 4.7974 4.7974 5.2307 5.2307 5.3233 5.3233 5.7334 5.7334 5.8618 5.8618 6.2286 6.2286 6.2668 6.2668 7.6673 7.6673 7.7203 7.7203 15.2910 15.2910 15.3003 15.3003 18.6237 18.6237 18.6508 18.6508 k = 0.1429 0.6841 0.0659 ( 2842 PWs) bands (ev): -16.1139 -16.1139 -16.1123 -16.1123 -15.9013 -15.9013 -15.8960 -15.8960 -0.1509 -0.1509 -0.1423 -0.1423 0.7360 0.7360 0.7554 0.7554 1.3746 1.3746 1.4124 1.4124 1.9073 1.9073 1.9215 1.9215 2.2835 2.2835 2.3173 2.3173 3.1430 3.1430 3.1528 3.1528 4.7695 4.7695 4.7947 4.7947 5.2026 5.2026 5.2984 5.2984 5.7375 5.7375 5.8702 5.8702 6.1996 6.1996 6.2404 6.2404 7.7053 7.7053 7.7609 7.7609 15.3111 15.3111 15.3213 15.3213 18.5756 18.5756 18.6031 18.6031 k = 0.1571 0.6841 0.0659 ( 2840 PWs) bands (ev): -16.1121 -16.1121 -16.1104 -16.1104 -15.9034 -15.9034 -15.8975 -15.8975 -0.1524 -0.1524 -0.1428 -0.1428 0.7183 0.7183 0.7397 0.7397 1.3813 1.3813 1.4206 1.4206 1.9100 1.9100 1.9264 1.9264 2.3123 2.3123 2.3476 2.3476 3.1381 3.1381 3.1482 3.1482 4.7650 4.7650 4.7913 4.7913 5.1734 5.1734 5.2718 5.2718 5.7419 5.7419 5.8772 5.8772 6.1705 6.1705 6.2143 6.2143 7.7447 7.7447 7.8024 7.8024 15.3334 15.3334 15.3445 15.3445 18.5222 18.5222 18.5496 18.5496 k = 0.1714 0.6841 0.0659 ( 2842 PWs) bands (ev): -16.1102 -16.1102 -16.1084 -16.1084 -15.9056 -15.9056 -15.8992 -15.8992 -0.1541 -0.1541 -0.1438 -0.1438 0.7015 0.7015 0.7247 0.7247 1.3870 1.3870 1.4275 1.4275 1.9138 1.9138 1.9323 1.9323 2.3421 2.3421 2.3783 2.3783 3.1337 3.1337 3.1439 3.1439 4.7601 4.7601 4.7871 4.7871 5.1431 5.1431 5.2439 5.2439 5.7462 5.7462 5.8825 5.8825 6.1417 6.1417 6.1890 6.1890 7.7851 7.7851 7.8446 7.8446 15.3580 15.3580 15.3699 15.3699 18.4639 18.4639 18.4905 18.4905 k = 0.1857 0.6841 0.0659 ( 2842 PWs) bands (ev): -16.1081 -16.1081 -16.1062 -16.1062 -15.9079 -15.9079 -15.9010 -15.9010 -0.1563 -0.1563 -0.1452 -0.1452 0.6858 0.6858 0.7107 0.7107 1.3915 1.3915 1.4331 1.4331 1.9188 1.9188 1.9394 1.9394 2.3725 2.3725 2.4089 2.4089 3.1302 3.1302 3.1401 3.1401 4.7548 4.7548 4.7819 4.7819 5.1118 5.1118 5.2152 5.2152 5.7503 5.7503 5.8858 5.8858 6.1135 6.1135 6.1652 6.1652 7.8261 7.8261 7.8869 7.8869 15.3848 15.3848 15.3976 15.3976 18.4009 18.4009 18.4262 18.4262 k = 0.2000 0.6841 0.0659 ( 2844 PWs) bands (ev): -16.1059 -16.1059 -16.1039 -16.1039 -15.9104 -15.9104 -15.9030 -15.9030 -0.1588 -0.1588 -0.1470 -0.1470 0.6715 0.6715 0.6978 0.6978 1.3947 1.3947 1.4373 1.4373 1.9251 1.9251 1.9476 1.9476 2.4028 2.4028 2.4389 2.4389 3.1279 3.1279 3.1373 3.1373 4.7491 4.7491 4.7757 4.7757 5.0797 5.0797 5.1859 5.1859 5.7538 5.7538 5.8868 5.8868 6.0863 6.0863 6.1434 6.1434 7.8672 7.8672 7.9292 7.9292 15.4139 15.4139 15.4274 15.4274 18.3336 18.3336 18.3572 18.3572 k = 0.2143 0.6841 0.0659 ( 2842 PWs) bands (ev): -16.1036 -16.1036 -16.1015 -16.1015 -15.9129 -15.9129 -15.9050 -15.9050 -0.1618 -0.1618 -0.1493 -0.1493 0.6586 0.6586 0.6862 0.6862 1.3964 1.3964 1.4400 1.4400 1.9329 1.9329 1.9571 1.9571 2.4325 2.4325 2.4675 2.4675 3.1273 3.1273 3.1359 3.1359 4.7429 4.7429 4.7683 4.7683 5.0470 5.0470 5.1565 5.1565 5.7566 5.7566 5.8852 5.8852 6.0603 6.0603 6.1243 6.1243 7.9083 7.9083 7.9711 7.9711 15.4452 15.4452 15.4595 15.4595 18.2624 18.2624 18.2840 18.2840 k = 0.2286 0.6841 0.0659 ( 2844 PWs) bands (ev): -16.1011 -16.1011 -16.0990 -16.0990 -15.9156 -15.9156 -15.9072 -15.9072 -0.1652 -0.1652 -0.1521 -0.1521 0.6474 0.6474 0.6761 0.6761 1.3967 1.3967 1.4414 1.4414 1.9422 1.9422 1.9679 1.9679 2.4608 2.4608 2.4940 2.4940 3.1291 3.1291 3.1362 3.1362 4.7360 4.7360 4.7594 4.7594 5.0139 5.0139 5.1274 5.1274 5.7585 5.7585 5.8807 5.8807 6.0359 6.0359 6.1083 6.1083 7.9490 7.9490 8.0124 8.0124 15.4789 15.4789 15.4938 15.4938 18.1878 18.1878 18.2072 18.2072 k = 0.2429 0.6841 0.0659 ( 2840 PWs) bands (ev): -16.0986 -16.0986 -16.0964 -16.0964 -15.9184 -15.9184 -15.9095 -15.9095 -0.1690 -0.1690 -0.1554 -0.1554 0.6378 0.6378 0.6673 0.6673 1.3956 1.3956 1.4415 1.4415 1.9530 1.9530 1.9800 1.9800 2.4869 2.4869 2.5178 2.5178 3.1336 3.1336 3.1389 3.1389 4.7284 4.7284 4.7488 4.7488 4.9807 4.9807 5.0990 5.0990 5.7592 5.7592 5.8733 5.8733 6.0134 6.0134 6.0957 6.0957 7.9890 7.9890 8.0529 8.0529 15.5148 15.5148 15.5303 15.5303 18.1102 18.1102 18.1272 18.1272 k = 0.2571 0.6841 0.0659 ( 2840 PWs) bands (ev): -16.0959 -16.0959 -16.0938 -16.0938 -15.9213 -15.9213 -15.9119 -15.9119 -0.1732 -0.1732 -0.1591 -0.1591 0.6299 0.6299 0.6600 0.6600 1.3931 1.3931 1.4403 1.4403 1.9653 1.9653 1.9933 1.9933 2.5102 2.5102 2.5380 2.5380 3.1415 3.1415 3.1443 3.1443 4.7197 4.7197 4.7364 4.7364 4.9479 4.9479 5.0717 5.0717 5.7584 5.7584 5.8632 5.8632 5.9930 5.9930 6.0864 6.0864 8.0280 8.0280 8.0923 8.0923 15.5531 15.5531 15.5691 15.5691 18.0301 18.0301 18.0447 18.0447 k = 0.2714 0.6841 0.0659 ( 2848 PWs) bands (ev): -16.0932 -16.0932 -16.0911 -16.0911 -15.9242 -15.9242 -15.9143 -15.9143 -0.1779 -0.1779 -0.1634 -0.1634 0.6237 0.6237 0.6541 0.6541 1.3893 1.3893 1.4380 1.4380 1.9791 1.9791 2.0079 2.0079 2.5300 2.5300 2.5541 2.5541 3.1530 3.1530 3.1531 3.1531 4.7095 4.7095 4.7217 4.7217 4.9158 4.9158 5.0460 5.0460 5.7560 5.7560 5.8508 5.8508 5.9751 5.9751 6.0799 6.0799 8.0659 8.0659 8.1303 8.1303 15.5936 15.5936 15.6100 15.6100 17.9480 17.9480 17.9602 17.9602 k = 0.2857 0.6841 0.0659 ( 2850 PWs) bands (ev): -16.0904 -16.0904 -16.0883 -16.0883 -15.9272 -15.9272 -15.9168 -15.9168 -0.1828 -0.1828 -0.1680 -0.1680 0.6191 0.6191 0.6497 0.6497 1.3844 1.3844 1.4346 1.4346 1.9944 1.9944 2.0238 2.0238 2.5458 2.5458 2.5657 2.5657 3.1655 3.1655 3.1685 3.1685 4.6974 4.6974 4.7047 4.7047 4.8853 4.8853 5.0222 5.0222 5.7518 5.7518 5.8368 5.8368 5.9599 5.9599 6.0759 6.0759 8.1024 8.1024 8.1669 8.1669 15.6364 15.6364 15.6533 15.6533 17.8643 17.8643 17.8740 17.8740 k = 0.3000 0.6841 0.0659 ( 2858 PWs) bands (ev): -16.0876 -16.0876 -16.0855 -16.0855 -15.9302 -15.9302 -15.9193 -15.9193 -0.1879 -0.1879 -0.1730 -0.1730 0.6160 0.6160 0.6465 0.6465 1.3784 1.3784 1.4304 1.4304 2.0110 2.0110 2.0408 2.0408 2.5571 2.5571 2.5727 2.5727 3.1818 3.1818 3.1878 3.1878 4.6827 4.6827 4.6854 4.6854 4.8570 4.8570 5.0005 5.0005 5.7460 5.7460 5.8218 5.8218 5.9473 5.9473 6.0736 6.0736 8.1374 8.1374 8.2019 8.2019 15.6814 15.6814 15.6987 15.6987 17.7793 17.7793 17.7868 17.7868 k = 0.3143 0.6841 0.0659 ( 2852 PWs) bands (ev): -16.0847 -16.0847 -16.0827 -16.0827 -15.9332 -15.9332 -15.9219 -15.9219 -0.1931 -0.1931 -0.1782 -0.1782 0.6144 0.6144 0.6445 0.6445 1.3716 1.3716 1.4254 1.4254 2.0289 2.0289 2.0588 2.0588 2.5638 2.5638 2.5752 2.5752 3.2018 3.2018 3.2108 3.2108 4.6638 4.6638 4.6649 4.6649 4.8320 4.8320 4.9813 4.9813 5.7386 5.7386 5.8065 5.8065 5.9375 5.9375 6.0728 6.0728 8.1708 8.1708 8.2352 8.2352 15.7288 15.7288 15.7463 15.7463 17.6936 17.6936 17.6987 17.6987 k = 0.3286 0.6841 0.0659 ( 2850 PWs) bands (ev): -16.0819 -16.0819 -16.0800 -16.0800 -15.9362 -15.9362 -15.9244 -15.9244 -0.1985 -0.1985 -0.1835 -0.1835 0.6140 0.6140 0.6437 0.6437 1.3642 1.3642 1.4199 1.4199 2.0480 2.0480 2.0779 2.0779 2.5661 2.5661 2.5733 2.5733 3.2251 3.2251 3.2369 3.2369 4.6401 4.6401 4.6435 4.6435 4.8108 4.8108 4.9644 4.9644 5.7299 5.7299 5.7913 5.7913 5.9299 5.9299 6.0729 6.0729 8.2023 8.2023 8.2666 8.2666 15.7783 15.7783 15.7960 15.7960 17.6074 17.6074 17.6104 17.6104 k = 0.3429 0.6841 0.0659 ( 2846 PWs) bands (ev): -16.0790 -16.0790 -16.0773 -16.0773 -15.9392 -15.9392 -15.9269 -15.9269 -0.2038 -0.2038 -0.1888 -0.1888 0.6147 0.6147 0.6437 0.6437 1.3562 1.3562 1.4139 1.4139 2.0680 2.0680 2.0979 2.0979 2.5643 2.5643 2.5676 2.5676 3.2514 3.2514 3.2655 3.2655 4.6146 4.6146 4.6186 4.6186 4.7933 4.7933 4.9498 4.9498 5.7204 5.7204 5.7766 5.7766 5.9243 5.9243 6.0736 6.0736 8.2318 8.2318 8.2960 8.2960 15.8301 15.8301 15.8479 15.8479 17.5210 17.5210 17.5219 17.5219 k = 0.3571 0.6841 0.0659 ( 2844 PWs) bands (ev): -16.0762 -16.0762 -16.0746 -16.0746 -15.9422 -15.9422 -15.9293 -15.9293 -0.2090 -0.2090 -0.1941 -0.1941 0.6163 0.6163 0.6446 0.6446 1.3480 1.3480 1.4077 1.4077 2.0890 2.0890 2.1186 2.1186 2.5586 2.5586 2.5586 2.5586 3.2799 3.2799 3.2958 3.2958 4.5877 4.5877 4.5911 4.5911 4.7793 4.7793 4.9372 4.9372 5.7104 5.7104 5.7626 5.7626 5.9204 5.9204 6.0748 6.0748 8.2592 8.2592 8.3231 8.3231 15.8839 15.8839 15.9018 15.9018 17.4338 17.4338 17.4349 17.4349 k = 0.3714 0.6841 0.0659 ( 2846 PWs) bands (ev): -16.0735 -16.0735 -16.0721 -16.0721 -15.9450 -15.9450 -15.9317 -15.9317 -0.2140 -0.2140 -0.1992 -0.1992 0.6186 0.6186 0.6460 0.6460 1.3398 1.3398 1.4014 1.4014 2.1106 2.1106 2.1400 2.1400 2.5466 2.5466 2.5497 2.5497 3.3097 3.3097 3.3271 3.3271 4.5602 4.5602 4.5618 4.5618 4.7682 4.7682 4.9265 4.9265 5.7004 5.7004 5.7495 5.7495 5.9177 5.9177 6.0761 6.0761 8.2843 8.2843 8.3481 8.3481 15.9398 15.9398 15.9576 15.9576 17.3463 17.3463 17.3492 17.3492 k = 0.3857 0.6841 0.0659 ( 2848 PWs) bands (ev): -16.0709 -16.0709 -16.0696 -16.0696 -15.9477 -15.9477 -15.9340 -15.9340 -0.2188 -0.2188 -0.2041 -0.2041 0.6215 0.6215 0.6480 0.6480 1.3316 1.3316 1.3952 1.3952 2.1328 2.1328 2.1619 2.1619 2.5323 2.5323 2.5380 2.5380 3.3402 3.3402 3.3585 3.3585 4.5318 4.5318 4.5326 4.5326 4.7593 4.7593 4.9174 4.9174 5.6906 5.6906 5.7375 5.7375 5.9159 5.9159 6.0775 6.0775 8.3070 8.3070 8.3706 8.3706 15.9976 15.9976 16.0153 16.0153 17.2597 17.2597 17.2644 17.2644 k = 0.4000 0.6841 0.0659 ( 2848 PWs) bands (ev): -16.0684 -16.0684 -16.0674 -16.0674 -15.9502 -15.9502 -15.9361 -15.9361 -0.2232 -0.2232 -0.2087 -0.2087 0.6246 0.6246 0.6501 0.6501 1.3238 1.3238 1.3893 1.3893 2.1554 2.1554 2.1841 2.1841 2.5162 2.5162 2.5241 2.5241 3.3704 3.3704 3.3893 3.3893 4.5022 4.5022 4.5055 4.5055 4.7522 4.7522 4.9098 4.9098 5.6816 5.6816 5.7267 5.7267 5.9148 5.9148 6.0789 6.0789 8.3273 8.3273 8.3907 8.3907 16.0571 16.0571 16.0745 16.0745 17.1744 17.1744 17.1808 17.1808 k = 0.4143 0.6841 0.0659 ( 2844 PWs) bands (ev): -16.0662 -16.0662 -16.0653 -16.0653 -15.9526 -15.9526 -15.9380 -15.9380 -0.2272 -0.2272 -0.2128 -0.2128 0.6279 0.6279 0.6524 0.6524 1.3166 1.3166 1.3837 1.3837 2.1781 2.1781 2.2065 2.2065 2.4986 2.4986 2.5084 2.5084 3.3994 3.3994 3.4185 3.4185 4.4738 4.4738 4.4797 4.4797 4.7466 4.7466 4.9036 4.9036 5.6733 5.6733 5.7172 5.7172 5.9142 5.9142 6.0802 6.0802 8.3451 8.3451 8.4083 8.4083 16.1180 16.1180 16.1351 16.1351 17.0908 17.0908 17.0988 17.0988 k = 0.4286 0.6841 0.0659 ( 2842 PWs) bands (ev): -16.0641 -16.0641 -16.0635 -16.0635 -15.9547 -15.9547 -15.9397 -15.9397 -0.2306 -0.2306 -0.2164 -0.2164 0.6310 0.6310 0.6547 0.6547 1.3101 1.3101 1.3788 1.3788 2.2006 2.2006 2.2287 2.2287 2.4802 2.4802 2.4915 2.4915 3.4263 3.4263 3.4454 3.4454 4.4476 4.4476 4.4559 4.4559 4.7421 4.7421 4.8984 4.8984 5.6661 5.6661 5.7091 5.7091 5.9139 5.9139 6.0814 6.0814 8.3603 8.3603 8.4233 8.4233 16.1799 16.1799 16.1966 16.1966 17.0096 17.0096 17.0191 17.0191 k = 0.4429 0.6841 0.0659 ( 2842 PWs) bands (ev): -16.0624 -16.0624 -16.0620 -16.0620 -15.9565 -15.9565 -15.9412 -15.9412 -0.2335 -0.2335 -0.2194 -0.2194 0.6339 0.6339 0.6568 0.6568 1.3045 1.3045 1.3745 1.3745 2.2225 2.2225 2.2502 2.2502 2.4615 2.4615 2.4741 2.4741 3.4501 3.4501 3.4690 3.4690 4.4244 4.4244 4.4349 4.4349 4.7385 4.7385 4.8943 4.8943 5.6601 5.6601 5.7025 5.7025 5.9138 5.9138 6.0825 6.0825 8.3727 8.3727 8.4356 8.4356 16.2419 16.2419 16.2580 16.2580 16.9316 16.9316 16.9425 16.9425 k = 0.4571 0.6841 0.0659 ( 2842 PWs) bands (ev): -16.0610 -16.0610 -16.0607 -16.0607 -15.9579 -15.9579 -15.9423 -15.9423 -0.2359 -0.2359 -0.2218 -0.2218 0.6363 0.6363 0.6585 0.6585 1.2999 1.2999 1.3711 1.3711 2.2429 2.2429 2.2704 2.2704 2.4434 2.4434 2.4568 2.4568 3.4699 3.4699 3.4885 3.4885 4.4052 4.4052 4.4175 4.4175 4.7358 4.7358 4.8912 4.8912 5.6553 5.6553 5.6973 5.6973 5.9138 5.9138 6.0833 6.0833 8.3825 8.3825 8.4452 8.4452 16.3025 16.3025 16.3179 16.3179 16.8585 16.8585 16.8708 16.8708 k = 0.4714 0.6841 0.0659 ( 2836 PWs) bands (ev): -16.0599 -16.0599 -16.0598 -16.0598 -15.9590 -15.9590 -15.9432 -15.9432 -0.2375 -0.2375 -0.2236 -0.2236 0.6381 0.6381 0.6598 0.6598 1.2966 1.2966 1.3685 1.3685 2.2605 2.2605 2.2881 2.2881 2.4274 2.4274 2.4413 2.4413 3.4848 3.4848 3.5031 3.5031 4.3908 4.3908 4.4045 4.4045 4.7340 4.7340 4.8891 4.8891 5.6518 5.6518 5.6935 5.6935 5.9138 5.9138 6.0839 6.0839 8.3895 8.3895 8.4522 8.4522 16.3583 16.3583 16.3729 16.3729 16.7938 16.7938 16.8074 16.8074 k = 0.4857 0.6841 0.0659 ( 2832 PWs) bands (ev): -16.0593 -16.0593 -16.0592 -16.0592 -15.9596 -15.9596 -15.9437 -15.9437 -0.2385 -0.2385 -0.2246 -0.2246 0.6392 0.6392 0.6607 0.6607 1.2946 1.2946 1.3670 1.3670 2.2732 2.2732 2.3010 2.3010 2.4157 2.4157 2.4297 2.4297 3.4941 3.4941 3.5122 3.5122 4.3818 4.3818 4.3965 4.3965 4.7329 4.7329 4.8878 4.8878 5.6498 5.6498 5.6913 5.6913 5.9139 5.9139 6.0843 6.0843 8.3937 8.3937 8.4563 8.4563 16.4017 16.4017 16.4155 16.4155 16.7449 16.7449 16.7596 16.7596 k = 0.5000 0.6841 0.0659 ( 2836 PWs) bands (ev): -16.0591 -16.0591 -16.0590 -16.0590 -15.9598 -15.9598 -15.9439 -15.9439 -0.2389 -0.2389 -0.2250 -0.2250 0.6396 0.6396 0.6609 0.6609 1.2939 1.2939 1.3665 1.3665 2.2779 2.2779 2.3058 2.3058 2.4113 2.4113 2.4252 2.4252 3.4973 3.4973 3.5153 3.5153 4.3788 4.3788 4.3937 4.3937 4.7325 4.7325 4.8873 4.8873 5.6490 5.6490 5.6905 5.6905 5.9139 5.9139 6.0844 6.0844 8.3951 8.3951 8.4577 8.4577 16.4193 16.4193 16.4326 16.4326 16.7255 16.7255 16.7408 16.7408 k = 0.5000 0.6841 0.0659 ( 2836 PWs) bands (ev): -16.0591 -16.0591 -16.0590 -16.0590 -15.9598 -15.9598 -15.9439 -15.9439 -0.2389 -0.2389 -0.2250 -0.2250 0.6396 0.6396 0.6609 0.6609 1.2939 1.2939 1.3665 1.3665 2.2779 2.2779 2.3058 2.3058 2.4113 2.4113 2.4252 2.4252 3.4973 3.4973 3.5153 3.5153 4.3788 4.3788 4.3937 4.3937 4.7325 4.7325 4.8873 4.8873 5.6490 5.6490 5.6905 5.6905 5.9139 5.9139 6.0844 6.0844 8.3951 8.3951 8.4577 8.4577 16.4193 16.4193 16.4326 16.4326 16.7255 16.7255 16.7408 16.7408 k = 0.5000 0.6855 0.0516 ( 2834 PWs) bands (ev): -16.0592 -16.0592 -16.0591 -16.0591 -15.9597 -15.9597 -15.9438 -15.9438 -0.2386 -0.2386 -0.2247 -0.2247 0.6388 0.6388 0.6599 0.6599 1.2944 1.2944 1.3666 1.3666 2.2717 2.2717 2.2974 2.2974 2.4194 2.4194 2.4310 2.4310 3.4972 3.4972 3.5153 3.5153 4.3799 4.3799 4.3949 4.3949 4.7329 4.7329 4.8875 4.8875 5.6498 5.6498 5.6914 5.6914 5.9135 5.9135 6.0839 6.0839 8.3941 8.3941 8.4567 8.4567 16.4201 16.4201 16.4333 16.4333 16.7265 16.7265 16.7417 16.7417 k = 0.5000 0.6869 0.0374 ( 2832 PWs) bands (ev): -16.0594 -16.0594 -16.0594 -16.0594 -15.9595 -15.9595 -15.9436 -15.9436 -0.2377 -0.2377 -0.2239 -0.2239 0.6364 0.6364 0.6567 0.6567 1.2960 1.2960 1.3670 1.3670 2.2554 2.2554 2.2771 2.2771 2.4388 2.4388 2.4461 2.4461 3.4972 3.4972 3.5152 3.5152 4.3834 4.3834 4.3987 4.3987 4.7339 4.7339 4.8881 4.8881 5.6522 5.6522 5.6938 5.6938 5.9124 5.9124 6.0825 6.0825 8.3913 8.3913 8.4538 8.4538 16.4223 16.4223 16.4352 16.4352 16.7293 16.7293 16.7442 16.7442 k = 0.5000 0.6883 0.0231 ( 2832 PWs) bands (ev): -16.0597 -16.0597 -16.0597 -16.0597 -15.9590 -15.9590 -15.9433 -15.9433 -0.2362 -0.2362 -0.2226 -0.2226 0.6324 0.6324 0.6515 0.6515 1.2984 1.2984 1.3676 1.3676 2.2332 2.2332 2.2515 2.2515 2.4628 2.4628 2.4664 2.4664 3.4971 3.4971 3.5152 3.5152 4.3890 4.3890 4.4048 4.4048 4.7355 4.7355 4.8890 4.8890 5.6562 5.6562 5.6979 5.6979 5.9106 5.9106 6.0800 6.0800 8.3866 8.3866 8.4488 8.4488 16.4260 16.4260 16.4384 16.4384 16.7341 16.7341 16.7486 16.7486 k = 0.5000 0.6896 0.0088 ( 2838 PWs) bands (ev): -16.0603 -16.0603 -16.0602 -16.0602 -15.9583 -15.9583 -15.9428 -15.9428 -0.2342 -0.2342 -0.2208 -0.2208 0.6269 0.6269 0.6443 0.6443 1.3015 1.3015 1.3681 1.3681 2.2079 2.2079 2.2240 2.2240 2.4883 2.4883 2.4891 2.4891 3.4972 3.4972 3.5153 3.5153 4.3968 4.3968 4.4132 4.4132 4.7378 4.7378 4.8902 4.8902 5.6615 5.6615 5.7035 5.7035 5.9081 5.9081 6.0766 6.0766 8.3800 8.3800 8.4420 8.4420 16.4311 16.4311 16.4428 16.4428 16.7409 16.7409 16.7547 16.7547 k = 0.5000 0.6910-0.0054 ( 2836 PWs) bands (ev): -16.0609 -16.0609 -16.0608 -16.0608 -15.9575 -15.9575 -15.9422 -15.9422 -0.2316 -0.2316 -0.2185 -0.2185 0.6202 0.6202 0.6356 0.6356 1.3051 1.3051 1.3685 1.3685 2.1811 2.1811 2.1957 2.1957 2.5126 2.5126 2.5140 2.5140 3.4974 3.4974 3.5155 3.5155 4.4066 4.4066 4.4239 4.4239 4.7407 4.7407 4.8918 4.8918 5.6683 5.6683 5.7108 5.7108 5.9052 5.9052 6.0725 6.0725 8.3716 8.3716 8.4332 8.4332 16.4376 16.4376 16.4484 16.4484 16.7497 16.7497 16.7627 16.7627 k = 0.5000 0.6924-0.0197 ( 2832 PWs) bands (ev): -16.0617 -16.0617 -16.0615 -16.0615 -15.9566 -15.9566 -15.9414 -15.9414 -0.2285 -0.2285 -0.2157 -0.2157 0.6123 0.6123 0.6254 0.6254 1.3088 1.3088 1.3684 1.3684 2.1539 2.1539 2.1677 2.1677 2.5361 2.5361 2.5393 2.5393 3.4979 3.4979 3.5160 3.5160 4.4184 4.4184 4.4367 4.4367 4.7444 4.7444 4.8939 4.8939 5.6761 5.6761 5.7195 5.7195 5.9020 5.9020 6.0675 6.0675 8.3614 8.3614 8.4225 8.4225 16.4454 16.4454 16.4550 16.4550 16.7606 16.7606 16.7725 16.7725 k = 0.5000 0.6937-0.0339 ( 2828 PWs) bands (ev): -16.0626 -16.0626 -16.0623 -16.0623 -15.9554 -15.9554 -15.9406 -15.9406 -0.2248 -0.2248 -0.2123 -0.2123 0.6034 0.6034 0.6140 0.6140 1.3122 1.3122 1.3676 1.3676 2.1268 2.1268 2.1401 2.1401 2.5591 2.5591 2.5638 2.5638 3.4987 3.4987 3.5168 3.5168 4.4319 4.4319 4.4514 4.4514 4.7487 4.7487 4.8964 4.8964 5.6848 5.6848 5.7295 5.7295 5.8989 5.8989 6.0618 6.0618 8.3494 8.3494 8.4100 8.4100 16.4544 16.4544 16.4627 16.4627 16.7736 16.7736 16.7843 16.7843 k = 0.5000 0.6951-0.0482 ( 2826 PWs) bands (ev): -16.0635 -16.0635 -16.0632 -16.0632 -15.9542 -15.9542 -15.9397 -15.9397 -0.2206 -0.2206 -0.2086 -0.2086 0.5938 0.5938 0.6017 0.6017 1.3150 1.3150 1.3658 1.3658 2.1003 2.1003 2.1136 2.1136 2.5812 2.5812 2.5872 2.5872 3.5001 3.5001 3.5181 3.5181 4.4469 4.4469 4.4677 4.4677 4.7535 4.7535 4.8993 4.8993 5.6938 5.6938 5.7406 5.7406 5.8960 5.8960 6.0557 6.0557 8.3357 8.3357 8.3957 8.3957 16.4645 16.4645 16.4713 16.4713 16.7888 16.7888 16.7981 16.7981 k = 0.5000 0.6965-0.0625 ( 2830 PWs) bands (ev): -16.0646 -16.0646 -16.0641 -16.0641 -15.9529 -15.9529 -15.9387 -15.9387 -0.2160 -0.2160 -0.2045 -0.2045 0.5836 0.5836 0.5887 0.5887 1.3168 1.3168 1.3626 1.3626 2.0748 2.0748 2.0884 2.0884 2.6023 2.6023 2.6094 2.6094 3.5021 3.5021 3.5199 3.5199 4.4633 4.4633 4.4855 4.4855 4.7590 4.7590 4.9026 4.9026 5.7024 5.7024 5.7527 5.7527 5.8942 5.8942 6.0491 6.0491 8.3204 8.3204 8.3797 8.3797 16.4757 16.4757 16.4808 16.4808 16.8063 16.8063 16.8140 16.8140 k = 0.5000 0.6979-0.0767 ( 2830 PWs) bands (ev): -16.0657 -16.0657 -16.0652 -16.0652 -15.9515 -15.9515 -15.9376 -15.9376 -0.2109 -0.2109 -0.2000 -0.2000 0.5729 0.5729 0.5753 0.5753 1.3171 1.3171 1.3578 1.3578 2.0508 2.0508 2.0649 2.0649 2.6222 2.6222 2.6302 2.6302 3.5047 3.5047 3.5224 3.5224 4.4809 4.4809 4.5046 4.5046 4.7651 4.7651 4.9065 4.9065 5.7101 5.7101 5.7654 5.7654 5.8940 5.8940 6.0426 6.0426 8.3035 8.3035 8.3620 8.3620 16.4877 16.4877 16.4911 16.4911 16.8260 16.8260 16.8320 16.8320 k = 0.5000 0.6992-0.0910 ( 2828 PWs) bands (ev): -16.0668 -16.0668 -16.0663 -16.0663 -15.9500 -15.9500 -15.9365 -15.9365 -0.2054 -0.2054 -0.1951 -0.1951 0.5617 0.5617 0.5622 0.5622 1.3157 1.3157 1.3511 1.3511 2.0285 2.0285 2.0433 2.0433 2.6408 2.6408 2.6495 2.6495 3.5081 3.5081 3.5256 3.5256 4.4995 4.4995 4.5247 4.5247 4.7720 4.7720 4.9110 4.9110 5.7159 5.7159 5.7783 5.7783 5.8965 5.8965 6.0365 6.0365 8.2851 8.2851 8.3428 8.3428 16.5006 16.5006 16.5020 16.5020 16.8480 16.8480 16.8522 16.8522 k = 0.5000 0.7006-0.1052 ( 2832 PWs) bands (ev): -16.0680 -16.0680 -16.0674 -16.0674 -15.9484 -15.9484 -15.9354 -15.9354 -0.1995 -0.1995 -0.1899 -0.1899 0.5482 0.5482 0.5514 0.5514 1.3122 1.3122 1.3421 1.3421 2.0081 2.0081 2.0238 2.0238 2.6580 2.6580 2.6674 2.6674 3.5124 3.5124 3.5296 3.5296 4.5188 4.5188 4.5456 4.5456 4.7794 4.7794 4.9161 4.9161 5.7189 5.7189 5.7907 5.7907 5.9023 5.9023 6.0314 6.0314 8.2652 8.2652 8.3220 8.3220 16.5137 16.5137 16.5142 16.5142 16.8724 16.8724 16.8747 16.8747 k = 0.5000 0.7020-0.1195 ( 2830 PWs) bands (ev): -16.0692 -16.0692 -16.0685 -16.0685 -15.9469 -15.9469 -15.9342 -15.9342 -0.1933 -0.1933 -0.1844 -0.1844 0.5349 0.5349 0.5409 0.5409 1.3063 1.3063 1.3308 1.3308 1.9901 1.9901 2.0065 2.0065 2.6738 2.6738 2.6837 2.6837 3.5176 3.5176 3.5343 3.5343 4.5386 4.5386 4.5671 4.5671 4.7876 4.7876 4.9220 4.9220 5.7184 5.7184 5.8018 5.8018 5.9120 5.9120 6.0281 6.0281 8.2441 8.2441 8.2999 8.2999 16.5259 16.5259 16.5284 16.5284 16.8992 16.8992 16.8994 16.8994 k = 0.5000 0.7034-0.1338 ( 2836 PWs) bands (ev): -16.0704 -16.0704 -16.0697 -16.0697 -15.9453 -15.9453 -15.9330 -15.9330 -0.1867 -0.1867 -0.1787 -0.1787 0.5220 0.5220 0.5307 0.5307 1.2978 1.2978 1.3170 1.3170 1.9744 1.9744 1.9916 1.9916 2.6881 2.6881 2.6984 2.6984 3.5236 3.5236 3.5399 3.5399 4.5587 4.5587 4.5887 4.5887 4.7966 4.7966 4.9287 4.9287 5.7144 5.7144 5.8106 5.8106 5.9256 5.9256 6.0274 6.0274 8.2217 8.2217 8.2764 8.2764 16.5387 16.5387 16.5432 16.5432 16.9264 16.9264 16.9282 16.9282 k = 0.5000 0.7047-0.1480 ( 2838 PWs) bands (ev): -16.0716 -16.0716 -16.0709 -16.0709 -15.9436 -15.9436 -15.9319 -15.9319 -0.1800 -0.1800 -0.1728 -0.1728 0.5099 0.5099 0.5212 0.5212 1.2866 1.2866 1.3007 1.3007 1.9611 1.9611 1.9791 1.9791 2.7010 2.7010 2.7116 2.7116 3.5304 3.5304 3.5462 3.5462 4.5789 4.5789 4.6103 4.6103 4.8065 4.8065 4.9365 4.9365 5.7071 5.7071 5.8161 5.8161 5.9429 5.9429 6.0305 6.0305 8.1982 8.1982 8.2519 8.2519 16.5520 16.5520 16.5584 16.5584 16.9556 16.9556 16.9595 16.9595 k = 0.5000 0.7061-0.1623 ( 2838 PWs) bands (ev): -16.0728 -16.0728 -16.0721 -16.0721 -15.9420 -15.9420 -15.9307 -15.9307 -0.1730 -0.1730 -0.1667 -0.1667 0.4985 0.4985 0.5125 0.5125 1.2727 1.2727 1.2819 1.2819 1.9504 1.9504 1.9689 1.9689 2.7126 2.7126 2.7233 2.7233 3.5381 3.5381 3.5532 3.5532 4.5988 4.5988 4.6316 4.6316 4.8175 4.8175 4.9454 4.9454 5.6969 5.6969 5.8174 5.8174 5.9633 5.9633 6.0380 6.0380 8.1738 8.1738 8.2263 8.2263 16.5657 16.5657 16.5741 16.5741 16.9870 16.9870 16.9929 16.9929 k = 0.5000 0.7075-0.1765 ( 2842 PWs) bands (ev): -16.0740 -16.0740 -16.0732 -16.0732 -15.9404 -15.9404 -15.9296 -15.9296 -0.1658 -0.1658 -0.1606 -0.1606 0.4882 0.4882 0.5046 0.5046 1.2560 1.2560 1.2608 1.2608 1.9421 1.9421 1.9608 1.9608 2.7227 2.7227 2.7335 2.7335 3.5466 3.5466 3.5610 3.5610 4.6182 4.6182 4.6522 4.6522 4.8295 4.8295 4.9556 4.9556 5.6843 5.6843 5.8142 5.8142 5.9861 5.9861 6.0501 6.0501 8.1486 8.1486 8.1998 8.1998 16.5799 16.5799 16.5901 16.5901 17.0204 17.0204 17.0284 17.0284 k = 0.5000 0.7088-0.1908 ( 2842 PWs) bands (ev): -16.0751 -16.0751 -16.0744 -16.0744 -15.9389 -15.9389 -15.9285 -15.9285 -0.1586 -0.1586 -0.1543 -0.1543 0.4790 0.4790 0.4978 0.4978 1.2369 1.2369 1.2375 1.2375 1.9360 1.9360 1.9547 1.9547 2.7317 2.7317 2.7424 2.7424 3.5556 3.5556 3.5693 3.5693 4.6369 4.6369 4.6719 4.6719 4.8427 4.8427 4.9673 4.9673 5.6698 5.6698 5.8068 5.8068 6.0110 6.0110 6.0664 6.0664 8.1227 8.1227 8.1726 8.1726 16.5945 16.5945 16.6063 16.6063 17.0558 17.0558 17.0659 17.0659 k = 0.5000 0.7102-0.2051 ( 2848 PWs) bands (ev): -16.0761 -16.0761 -16.0755 -16.0755 -15.9374 -15.9374 -15.9275 -15.9275 -0.1513 -0.1513 -0.1480 -0.1480 0.4711 0.4711 0.4922 0.4922 1.2122 1.2122 1.2154 1.2154 1.9320 1.9320 1.9504 1.9504 2.7394 2.7394 2.7500 2.7500 3.5652 3.5652 3.5781 3.5781 4.6546 4.6546 4.6905 4.6905 4.8574 4.8574 4.9806 4.9806 5.6535 5.6535 5.7958 5.7958 6.0373 6.0373 6.0860 6.0860 8.0963 8.0963 8.1448 8.1448 16.6095 16.6095 16.6227 16.6227 17.0929 17.0929 17.1050 17.1050 k = 0.5000 0.7116-0.2193 ( 2844 PWs) bands (ev): -16.0771 -16.0771 -16.0765 -16.0765 -15.9359 -15.9359 -15.9265 -15.9265 -0.1440 -0.1440 -0.1417 -0.1417 0.4647 0.4647 0.4879 0.4879 1.1853 1.1853 1.1918 1.1918 1.9298 1.9298 1.9476 1.9476 2.7460 2.7460 2.7563 2.7563 3.5753 3.5753 3.5872 3.5872 4.6713 4.6713 4.7076 4.7076 4.8734 4.8734 4.9956 4.9956 5.6360 5.6360 5.7820 5.7820 6.0647 6.0647 6.1085 6.1085 8.0697 8.0697 8.1166 8.1166 16.6247 16.6247 16.6392 16.6392 17.1316 17.1316 17.1457 17.1457 k = 0.5000 0.7130-0.2336 ( 2848 PWs) bands (ev): -16.0781 -16.0781 -16.0775 -16.0775 -15.9345 -15.9345 -15.9256 -15.9256 -0.1368 -0.1368 -0.1355 -0.1355 0.4598 0.4598 0.4850 0.4850 1.1569 1.1569 1.1665 1.1665 1.9290 1.9290 1.9461 1.9461 2.7516 2.7516 2.7616 2.7616 3.5856 3.5856 3.5966 3.5966 4.6866 4.6866 4.7232 4.7232 4.8908 4.8908 5.0122 5.0122 5.6172 5.6172 5.7657 5.7657 6.0928 6.0928 6.1327 6.1327 8.0429 8.0429 8.0883 8.0883 16.6401 16.6401 16.6557 16.6557 17.1715 17.1715 17.1876 17.1876 k = 0.5000 0.7143-0.2478 ( 2848 PWs) bands (ev): -16.0790 -16.0790 -16.0784 -16.0784 -15.9331 -15.9331 -15.9248 -15.9248 -0.1297 -0.1297 -0.1293 -0.1293 0.4565 0.4565 0.4836 0.4836 1.1274 1.1274 1.1397 1.1397 1.9296 1.9296 1.9456 1.9456 2.7563 2.7563 2.7659 2.7659 3.5960 3.5960 3.6060 3.6060 4.7006 4.7006 4.7373 4.7373 4.9096 4.9096 5.0306 5.0306 5.5975 5.5975 5.7475 5.7475 6.1213 6.1213 6.1583 6.1583 8.0163 8.0163 8.0601 8.0601 16.6555 16.6555 16.6720 16.6720 17.2122 17.2122 17.2304 17.2304 k = 0.5000 0.7157-0.2621 ( 2850 PWs) bands (ev): -16.0798 -16.0798 -16.0793 -16.0793 -15.9319 -15.9319 -15.9241 -15.9241 -0.1232 -0.1232 -0.1227 -0.1227 0.4549 0.4549 0.4837 0.4837 1.0969 1.0969 1.1116 1.1116 1.9312 1.9312 1.9460 1.9460 2.7602 2.7602 2.7693 2.7693 3.6065 3.6065 3.6155 3.6155 4.7134 4.7134 4.7497 4.7497 4.9296 4.9296 5.0504 5.0504 5.5769 5.5769 5.7278 5.7278 6.1498 6.1498 6.1845 6.1845 7.9900 7.9900 8.0321 8.0321 16.6708 16.6708 16.6878 16.6878 17.2534 17.2534 17.2734 17.2734 k = 0.5000 0.7171-0.2764 ( 2852 PWs) bands (ev): -16.0805 -16.0805 -16.0801 -16.0801 -15.9307 -15.9307 -15.9234 -15.9234 -0.1172 -0.1172 -0.1158 -0.1158 0.4551 0.4551 0.4854 0.4854 1.0656 1.0656 1.0825 1.0825 1.9337 1.9337 1.9471 1.9471 2.7633 2.7633 2.7718 2.7718 3.6168 3.6168 3.6248 3.6248 4.7248 4.7248 4.7606 4.7606 4.9507 4.9507 5.0715 5.0715 5.5557 5.5557 5.7069 5.7069 6.1780 6.1780 6.2108 6.2108 7.9645 7.9645 8.0047 8.0047 16.6858 16.6858 16.7030 16.7030 17.2942 17.2942 17.3160 17.3160 k = 0.5000 0.7185-0.2906 ( 2850 PWs) bands (ev): -16.0811 -16.0811 -16.0808 -16.0808 -15.9296 -15.9296 -15.9229 -15.9229 -0.1112 -0.1112 -0.1091 -0.1091 0.4570 0.4570 0.4888 0.4888 1.0338 1.0338 1.0527 1.0527 1.9367 1.9367 1.9486 1.9486 2.7657 2.7657 2.7737 2.7737 3.6269 3.6269 3.6338 3.6338 4.7353 4.7353 4.7701 4.7701 4.9727 4.9727 5.0936 5.0936 5.5339 5.5339 5.6848 5.6848 6.2056 6.2056 6.2368 6.2368 7.9399 7.9399 7.9781 7.9781 16.7002 16.7002 16.7172 16.7172 17.3339 17.3339 17.3571 17.3571 k = 0.5000 0.7198-0.3049 ( 2854 PWs) bands (ev): -16.0817 -16.0817 -16.0815 -16.0815 -15.9286 -15.9286 -15.9224 -15.9224 -0.1053 -0.1053 -0.1026 -0.1026 0.4608 0.4608 0.4937 0.4937 1.0017 1.0017 1.0224 1.0224 1.9402 1.9402 1.9505 1.9505 2.7675 2.7675 2.7749 2.7749 3.6366 3.6366 3.6424 3.6424 4.7446 4.7446 4.7784 4.7784 4.9955 4.9955 5.1164 5.1164 5.5119 5.5119 5.6619 5.6619 6.2320 6.2320 6.2621 6.2621 7.9165 7.9165 7.9527 7.9527 16.7135 16.7135 16.7299 16.7299 17.3713 17.3713 17.3953 17.3953 k = 0.5000 0.7212-0.3191 ( 2854 PWs) bands (ev): -16.0822 -16.0822 -16.0821 -16.0821 -15.9277 -15.9277 -15.9221 -15.9221 -0.0994 -0.0994 -0.0961 -0.0961 0.4664 0.4664 0.5003 0.5003 0.9695 0.9695 0.9918 0.9918 1.9440 1.9440 1.9527 1.9527 2.7688 2.7688 2.7755 2.7755 3.6458 3.6458 3.6505 3.6505 4.7530 4.7530 4.7855 4.7855 5.0187 5.0187 5.1395 5.1395 5.4899 5.4899 5.6383 5.6383 6.2571 6.2571 6.2861 6.2861 7.8947 7.8947 7.9288 7.9288 16.7255 16.7255 16.7408 16.7408 17.4051 17.4051 17.4288 17.4288 k = 0.5000 0.7226-0.3334 ( 2854 PWs) bands (ev): -16.0826 -16.0826 -16.0825 -16.0825 -15.9270 -15.9270 -15.9219 -15.9219 -0.0936 -0.0936 -0.0898 -0.0898 0.4736 0.4736 0.5083 0.5083 0.9373 0.9373 0.9610 0.9610 1.9480 1.9480 1.9550 1.9550 2.7696 2.7696 2.7756 2.7756 3.6544 3.6544 3.6580 3.6580 4.7606 4.7606 4.7918 4.7918 5.0424 5.0424 5.1623 5.1623 5.4682 5.4682 5.6142 5.6142 6.2805 6.2805 6.3084 6.3084 7.8749 7.8749 7.9066 7.9066 16.7355 16.7355 16.7491 16.7491 17.4337 17.4337 17.4553 17.4553 k = 0.5000 0.7240-0.3477 ( 2850 PWs) bands (ev): -16.0830 -16.0830 -16.0828 -16.0828 -15.9263 -15.9263 -15.9217 -15.9217 -0.0877 -0.0877 -0.0836 -0.0836 0.4826 0.4826 0.5179 0.5179 0.9052 0.9052 0.9304 0.9304 1.9521 1.9521 1.9574 1.9574 2.7701 2.7701 2.7753 2.7753 3.6624 3.6624 3.6649 3.6649 4.7675 4.7675 4.7971 4.7971 5.0661 5.0661 5.1842 5.1842 5.4476 5.4476 5.5897 5.5897 6.3017 6.3017 6.3286 6.3286 7.8574 7.8574 7.8865 7.8865 16.7429 16.7429 16.7544 16.7544 17.4560 17.4560 17.4729 17.4729 k = 0.5000 0.7253-0.3619 ( 2846 PWs) bands (ev): -16.0833 -16.0833 -16.0830 -16.0830 -15.9257 -15.9257 -15.9217 -15.9217 -0.0817 -0.0817 -0.0775 -0.0775 0.4932 0.4932 0.5288 0.5288 0.8736 0.8736 0.8999 0.8999 1.9561 1.9561 1.9597 1.9597 2.7702 2.7702 2.7746 2.7746 3.6696 3.6696 3.6710 3.6710 4.7738 4.7738 4.8018 4.8018 5.0898 5.0898 5.2039 5.2039 5.4290 5.4290 5.5650 5.5650 6.3204 6.3204 6.3464 6.3464 7.8424 7.8424 7.8689 7.8689 16.7471 16.7471 16.7559 16.7559 17.4714 17.4714 17.4811 17.4811 k = 0.5000 0.7253-0.3619 ( 2846 PWs) bands (ev): -16.0833 -16.0833 -16.0830 -16.0830 -15.9257 -15.9257 -15.9217 -15.9217 -0.0817 -0.0817 -0.0775 -0.0775 0.4932 0.4932 0.5288 0.5288 0.8736 0.8736 0.8999 0.8999 1.9561 1.9561 1.9597 1.9597 2.7702 2.7702 2.7746 2.7746 3.6696 3.6696 3.6710 3.6710 4.7738 4.7738 4.8018 4.8018 5.0898 5.0898 5.2039 5.2039 5.4290 5.4290 5.5650 5.5650 6.3204 6.3204 6.3464 6.3464 7.8424 7.8424 7.8689 7.8689 16.7471 16.7471 16.7559 16.7559 17.4714 17.4714 17.4811 17.4811 k = 0.5000 0.7185-0.3729 ( 2850 PWs) bands (ev): -16.0825 -16.0825 -16.0822 -16.0822 -15.9259 -15.9259 -15.9226 -15.9226 -0.0689 -0.0689 -0.0647 -0.0647 0.5072 0.5072 0.5430 0.5430 0.8321 0.8321 0.8594 0.8594 1.9573 1.9573 1.9602 1.9602 2.7705 2.7705 2.7743 2.7743 3.6813 3.6813 3.6824 3.6824 4.7807 4.7807 4.8037 4.8037 5.1082 5.1082 5.2168 5.2168 5.4168 5.4168 5.5434 5.5434 6.3317 6.3317 6.3535 6.3535 7.8347 7.8347 7.8572 7.8572 16.7528 16.7528 16.7594 16.7594 17.4995 17.4995 17.5066 17.5066 k = 0.5000 0.7116-0.3839 ( 2852 PWs) bands (ev): -16.0818 -16.0818 -16.0816 -16.0816 -15.9260 -15.9260 -15.9233 -15.9233 -0.0578 -0.0578 -0.0540 -0.0540 0.5238 0.5238 0.5589 0.5589 0.7930 0.7930 0.8210 0.8210 1.9583 1.9583 1.9606 1.9606 2.7709 2.7709 2.7738 2.7738 3.6912 3.6912 3.6920 3.6920 4.7867 4.7867 4.8048 4.8048 5.1269 5.1269 5.2250 5.2250 5.4094 5.4094 5.5216 5.5216 6.3417 6.3417 6.3593 6.3593 7.8286 7.8286 7.8469 7.8469 16.7559 16.7559 16.7607 16.7607 17.5264 17.5264 17.5314 17.5314 k = 0.5000 0.7047-0.3949 ( 2856 PWs) bands (ev): -16.0812 -16.0812 -16.0811 -16.0811 -15.9260 -15.9260 -15.9240 -15.9240 -0.0488 -0.0488 -0.0456 -0.0456 0.5426 0.5426 0.5759 0.5759 0.7574 0.7574 0.7851 0.7851 1.9591 1.9591 1.9608 1.9608 2.7711 2.7711 2.7734 2.7734 3.6990 3.6990 3.6996 3.6996 4.7918 4.7918 4.8051 4.8051 5.1457 5.1457 5.2270 5.2270 5.4083 5.4083 5.5001 5.5001 6.3502 6.3502 6.3635 6.3635 7.8243 7.8243 7.8382 7.8382 16.7574 16.7574 16.7607 16.7607 17.5500 17.5500 17.5534 17.5534 k = 0.5000 0.6979-0.4058 ( 2858 PWs) bands (ev): -16.0809 -16.0809 -16.0807 -16.0807 -15.9259 -15.9259 -15.9246 -15.9246 -0.0419 -0.0419 -0.0397 -0.0397 0.5630 0.5630 0.5920 0.5920 0.7276 0.7276 0.7527 0.7527 1.9598 1.9598 1.9609 1.9609 2.7714 2.7714 2.7729 2.7729 3.7046 3.7046 3.7050 3.7050 4.7960 4.7960 4.8048 4.8048 5.1642 5.1642 5.2225 5.2225 5.4139 5.4139 5.4791 5.4791 6.3571 6.3571 6.3660 6.3660 7.8218 7.8218 7.8311 7.8311 16.7580 16.7580 16.7601 16.7601 17.5684 17.5684 17.5705 17.5705 k = 0.5000 0.6910-0.4168 ( 2856 PWs) bands (ev): -16.0806 -16.0806 -16.0805 -16.0805 -15.9257 -15.9257 -15.9250 -15.9250 -0.0375 -0.0375 -0.0363 -0.0363 0.5833 0.5833 0.6022 0.6022 0.7087 0.7087 0.7256 0.7256 1.9603 1.9603 1.9609 1.9609 2.7717 2.7717 2.7725 2.7725 3.7081 3.7081 3.7083 3.7083 4.7993 4.7993 4.8037 4.8037 5.1821 5.1821 5.2125 5.2125 5.4253 5.4253 5.4591 5.4591 6.3622 6.3622 6.3667 6.3667 7.8212 7.8212 7.8259 7.8259 16.7583 16.7583 16.7593 16.7593 17.5802 17.5802 17.5812 17.5812 k = 0.5000 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.0805 -16.0805 -16.0805 -16.0805 -15.9254 -15.9254 -15.9254 -15.9254 -0.0356 -0.0356 -0.0356 -0.0356 0.5989 0.5989 0.5989 0.5989 0.7084 0.7084 0.7084 0.7084 1.9606 1.9606 1.9606 1.9606 2.7721 2.7721 2.7721 2.7721 3.7093 3.7093 3.7093 3.7093 4.8019 4.8019 4.8019 4.8019 5.1985 5.1985 5.1985 5.1985 5.4409 5.4409 5.4409 5.4409 6.3654 6.3654 6.3654 6.3654 7.8226 7.8226 7.8226 7.8226 16.7587 16.7587 16.7587 16.7587 17.5846 17.5846 17.5846 17.5846 k = 0.5000 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.0805 -16.0805 -16.0805 -16.0805 -15.9254 -15.9254 -15.9254 -15.9254 -0.0356 -0.0356 -0.0356 -0.0356 0.5989 0.5989 0.5989 0.5989 0.7084 0.7084 0.7084 0.7084 1.9606 1.9606 1.9606 1.9606 2.7721 2.7721 2.7721 2.7721 3.7093 3.7093 3.7093 3.7093 4.8019 4.8019 4.8019 4.8019 5.1985 5.1985 5.1985 5.1985 5.4409 5.4409 5.4409 5.4409 6.3654 6.3654 6.3654 6.3654 7.8226 7.8226 7.8226 7.8226 16.7587 16.7587 16.7587 16.7587 17.5846 17.5846 17.5846 17.5846 k = 0.4857 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.0834 -16.0834 -16.0776 -16.0776 -15.9259 -15.9259 -15.9251 -15.9251 -0.0363 -0.0363 -0.0354 -0.0354 0.5746 0.5746 0.6183 0.6183 0.6950 0.6950 0.7297 0.7297 1.9437 1.9437 1.9774 1.9774 2.7556 2.7556 2.7881 2.7881 3.7073 3.7073 3.7104 3.7104 4.7977 4.7977 4.8055 4.8055 5.1772 5.1772 5.2153 5.2153 5.4218 5.4218 5.4639 5.4639 6.3425 6.3425 6.3857 6.3857 7.7842 7.7842 7.8637 7.8637 16.7336 16.7336 16.7796 16.7796 17.5690 17.5690 17.5953 17.5953 k = 0.4714 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.0862 -16.0862 -16.0746 -16.0746 -15.9263 -15.9263 -15.9248 -15.9248 -0.0374 -0.0374 -0.0357 -0.0357 0.5502 0.5502 0.6227 0.6227 0.6992 0.6992 0.7545 0.7545 1.9265 1.9265 1.9938 1.9938 2.7387 2.7387 2.8038 2.8038 3.7043 3.7043 3.7105 3.7105 4.7929 4.7929 4.8084 4.8084 5.1528 5.1528 5.2256 5.2256 5.4088 5.4088 5.4895 5.4895 6.3174 6.3174 6.4029 6.4029 7.7487 7.7487 7.9068 7.9068 16.7050 16.7050 16.7955 16.7955 17.5508 17.5508 17.5977 17.5977 k = 0.4571 0.6841-0.4278 ( 2862 PWs) bands (ev): -16.0891 -16.0891 -16.0716 -16.0716 -15.9269 -15.9269 -15.9245 -15.9245 -0.0388 -0.0388 -0.0365 -0.0365 0.5272 0.5272 0.6118 0.6118 0.7209 0.7209 0.7817 0.7817 1.9090 1.9090 2.0100 2.0100 2.7214 2.7214 2.8190 2.8190 3.7003 3.7003 3.7097 3.7097 4.7876 4.7876 4.8107 4.8107 5.1261 5.1261 5.2275 5.2275 5.4037 5.4037 5.5167 5.5167 6.2903 6.2903 6.4165 6.4165 7.7167 7.7167 7.9518 7.9518 16.6737 16.6737 16.8058 16.8058 17.5309 17.5309 17.5889 17.5889 k = 0.4429 0.6841-0.4278 ( 2860 PWs) bands (ev): -16.0918 -16.0918 -16.0686 -16.0686 -15.9274 -15.9274 -15.9243 -15.9243 -0.0410 -0.0410 -0.0378 -0.0378 0.5065 0.5065 0.5956 0.5956 0.7498 0.7498 0.8109 0.8109 1.8914 1.8914 2.0259 2.0259 2.7038 2.7038 2.8338 2.8338 3.6953 3.6953 3.7081 3.7081 4.7816 4.7816 4.8123 4.8123 5.0980 5.0980 5.2208 5.2208 5.4071 5.4071 5.5448 5.5448 6.2617 6.2617 6.4266 6.4266 7.6885 7.6885 7.9982 7.9982 16.6405 16.6405 16.8102 16.8102 17.5094 17.5094 17.5697 17.5697 k = 0.4286 0.6841-0.4278 ( 2862 PWs) bands (ev): -16.0945 -16.0945 -16.0655 -16.0655 -15.9281 -15.9281 -15.9242 -15.9242 -0.0444 -0.0444 -0.0391 -0.0391 0.4885 0.4885 0.5783 0.5783 0.7811 0.7811 0.8421 0.8421 1.8735 1.8735 2.0416 2.0416 2.6858 2.6858 2.8482 2.8482 3.6892 3.6892 3.7057 3.7057 4.7749 4.7749 4.8130 4.8130 5.0689 5.0689 5.2071 5.2071 5.4170 5.4170 5.5734 5.5734 6.2319 6.2319 6.4325 6.4325 7.6644 7.6644 8.0456 8.0456 16.6060 16.6060 16.8087 16.8087 17.4862 17.4862 17.5440 17.5440 k = 0.4143 0.6841-0.4278 ( 2854 PWs) bands (ev): -16.0972 -16.0972 -16.0625 -16.0625 -15.9287 -15.9287 -15.9242 -15.9242 -0.0493 -0.0493 -0.0403 -0.0403 0.4737 0.4737 0.5615 0.5615 0.8130 0.8130 0.8755 0.8755 1.8555 1.8555 2.0570 2.0570 2.6676 2.6676 2.8620 2.8620 3.6822 3.6822 3.7025 3.7025 4.7675 4.7675 4.8131 4.8131 5.0392 5.0392 5.1891 5.1891 5.4312 5.4312 5.6024 5.6024 6.2013 6.2013 6.4343 6.4343 7.6447 7.6447 8.0939 8.0939 16.5709 16.5709 16.8014 16.8014 17.4613 17.4613 17.5154 17.5154 k = 0.4000 0.6841-0.4278 ( 2854 PWs) bands (ev): -16.0998 -16.0998 -16.0593 -16.0593 -15.9294 -15.9294 -15.9242 -15.9242 -0.0559 -0.0559 -0.0414 -0.0414 0.4621 0.4621 0.5457 0.5457 0.8447 0.8447 0.9109 0.9109 1.8372 1.8372 2.0721 2.0721 2.6491 2.6491 2.8754 2.8754 3.6741 3.6741 3.6987 3.6987 4.7592 4.7592 4.8118 4.8118 5.0094 5.0094 5.1687 5.1687 5.4477 5.4477 5.6312 5.6312 6.1700 6.1700 6.4317 6.4317 7.6295 7.6295 8.1425 8.1425 16.5357 16.5357 16.7885 16.7885 17.4345 17.4345 17.4864 17.4864 k = 0.3857 0.6841-0.4278 ( 2858 PWs) bands (ev): -16.1024 -16.1024 -16.0562 -16.0562 -15.9302 -15.9302 -15.9243 -15.9243 -0.0642 -0.0642 -0.0424 -0.0424 0.4539 0.4539 0.5311 0.5311 0.8759 0.8759 0.9483 0.9483 1.8187 1.8187 2.0870 2.0870 2.6304 2.6304 2.8882 2.8882 3.6650 3.6650 3.6942 3.6942 4.7500 4.7500 4.8090 4.8090 4.9799 4.9799 5.1471 5.1471 5.4653 5.4653 5.6598 5.6598 6.1384 6.1384 6.4249 6.4249 7.6186 7.6186 8.1913 8.1913 16.5008 16.5008 16.7707 16.7707 17.4055 17.4055 17.4585 17.4585 k = 0.3714 0.6841-0.4278 ( 2858 PWs) bands (ev): -16.1049 -16.1049 -16.0531 -16.0531 -15.9309 -15.9309 -15.9245 -15.9245 -0.0741 -0.0741 -0.0433 -0.0433 0.4491 0.4491 0.5180 0.5180 0.9064 0.9064 0.9875 0.9875 1.8001 1.8001 2.1016 2.1016 2.6114 2.6114 2.9005 2.9005 3.6550 3.6550 3.6891 3.6891 4.7398 4.7398 4.8044 4.8044 4.9515 4.9515 5.1251 5.1251 5.4833 5.4833 5.6879 5.6879 6.1069 6.1069 6.4141 6.4141 7.6122 7.6122 8.2401 8.2401 16.4666 16.4666 16.7486 16.7486 17.3739 17.3739 17.4330 17.4330 k = 0.3571 0.6841-0.4278 ( 2860 PWs) bands (ev): -16.1074 -16.1074 -16.0499 -16.0499 -15.9317 -15.9317 -15.9248 -15.9248 -0.0856 -0.0856 -0.0442 -0.0442 0.4476 0.4476 0.5065 0.5065 0.9362 0.9362 1.0280 1.0280 1.7813 1.7813 2.1160 2.1160 2.5923 2.5923 2.9123 2.9123 3.6441 3.6441 3.6835 3.6835 4.7282 4.7282 4.7971 4.7971 4.9252 4.9252 5.1034 5.1034 5.5012 5.5012 5.7155 5.7155 6.0756 6.0756 6.3995 6.3995 7.6098 7.6098 8.2886 8.2886 16.4332 16.4332 16.7230 16.7230 17.3395 17.3395 17.4103 17.4103 k = 0.3429 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1098 -16.1098 -16.0467 -16.0467 -15.9326 -15.9326 -15.9251 -15.9251 -0.0985 -0.0985 -0.0451 -0.0451 0.4491 0.4491 0.4967 0.4967 0.9654 0.9654 1.0697 1.0697 1.7624 1.7624 2.1303 2.1303 2.5731 2.5731 2.9236 2.9236 3.6323 3.6323 3.6775 3.6775 4.7151 4.7151 4.7867 4.7867 4.9018 4.9018 5.0822 5.0822 5.5187 5.5187 5.7424 5.7424 6.0450 6.0450 6.3817 6.3817 7.6111 7.6111 8.3367 8.3367 16.4010 16.4010 16.6945 16.6945 17.3027 17.3027 17.3906 17.3906 k = 0.3286 0.6841-0.4278 ( 2862 PWs) bands (ev): -16.1121 -16.1121 -16.0435 -16.0435 -15.9334 -15.9334 -15.9255 -15.9255 -0.1125 -0.1125 -0.0462 -0.0462 0.4530 0.4530 0.4891 0.4891 0.9939 0.9939 1.1123 1.1123 1.7434 1.7434 2.1443 2.1443 2.5537 2.5537 2.9343 2.9343 3.6198 3.6198 3.6711 3.6711 4.7000 4.7000 4.7726 4.7726 4.8823 4.8823 5.0618 5.0618 5.5356 5.5356 5.7680 5.7680 6.0153 6.0153 6.3610 6.3610 7.6158 7.6158 8.3840 8.3840 16.3700 16.3700 16.6638 16.6638 17.2639 17.2639 17.3737 17.3737 k = 0.3143 0.6841-0.4278 ( 2860 PWs) bands (ev): -16.1144 -16.1144 -16.0403 -16.0403 -15.9343 -15.9343 -15.9260 -15.9260 -0.1274 -0.1274 -0.0473 -0.0473 0.4585 0.4585 0.4843 0.4843 1.0218 1.0218 1.1555 1.1555 1.7243 1.7243 2.1582 2.1582 2.5343 2.5343 2.9443 2.9443 3.6066 3.6066 3.6644 3.6644 4.6827 4.6827 4.7552 4.7552 4.8667 4.8667 5.0427 5.0427 5.5518 5.5518 5.7924 5.7924 5.9873 5.9873 6.3381 6.3381 7.6233 7.6233 8.4305 8.4305 16.3404 16.3404 16.6316 16.6316 17.2235 17.2235 17.3591 17.3591 k = 0.3000 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1165 -16.1165 -16.0371 -16.0371 -15.9352 -15.9352 -15.9266 -15.9266 -0.1430 -0.1430 -0.0486 -0.0486 0.4633 0.4633 0.4844 0.4844 1.0488 1.0488 1.1991 1.1991 1.7052 1.7052 2.1721 2.1721 2.5149 2.5149 2.9538 2.9538 3.5928 3.5928 3.6574 3.6574 4.6627 4.6627 4.7356 4.7356 4.8543 4.8543 5.0249 5.0249 5.5669 5.5669 5.8144 5.8144 5.9618 5.9618 6.3134 6.3134 7.6332 7.6332 8.4760 8.4760 16.3124 16.3124 16.5986 16.5986 17.1821 17.1821 17.3465 17.3465 k = 0.2857 0.6841-0.4278 ( 2858 PWs) bands (ev): -16.1187 -16.1187 -16.0339 -16.0339 -15.9361 -15.9361 -15.9272 -15.9272 -0.1590 -0.1590 -0.0501 -0.0501 0.4648 0.4648 0.4914 0.4914 1.0749 1.0749 1.2429 1.2429 1.6861 1.6861 2.1859 2.1859 2.4954 2.4954 2.9624 2.9624 3.5786 3.5786 3.6502 3.6502 4.6399 4.6399 4.7150 4.7150 4.8440 4.8440 5.0085 5.0085 5.5806 5.5806 5.8326 5.8326 5.9407 5.9407 6.2876 6.2876 7.6451 7.6451 8.5204 8.5204 16.2859 16.2859 16.5651 16.5651 17.1402 17.1402 17.3357 17.3357 k = 0.2714 0.6841-0.4278 ( 2858 PWs) bands (ev): -16.1207 -16.1207 -16.0306 -16.0306 -15.9371 -15.9371 -15.9278 -15.9278 -0.1752 -0.1752 -0.0518 -0.0518 0.4650 0.4650 0.5033 0.5033 1.1001 1.1001 1.2868 1.2868 1.6672 1.6672 2.1998 2.1998 2.4759 2.4759 2.9701 2.9701 3.5640 3.5640 3.6430 3.6430 4.6147 4.6147 4.6942 4.6942 4.8348 4.8348 4.9937 4.9937 5.5928 5.5928 5.8434 5.8434 5.9276 5.9276 6.2611 6.2611 7.6584 7.6584 8.5634 8.5634 16.2611 16.2611 16.5317 16.5317 17.0981 17.0981 17.3265 17.3265 k = 0.2571 0.6841-0.4278 ( 2854 PWs) bands (ev): -16.1227 -16.1227 -16.0274 -16.0274 -15.9381 -15.9381 -15.9286 -15.9286 -0.1914 -0.1914 -0.0537 -0.0537 0.4658 0.4658 0.5179 0.5179 1.1241 1.1241 1.3304 1.3304 1.6485 1.6485 2.2138 2.2138 2.4566 2.4566 2.9770 2.9770 3.5493 3.5493 3.6356 3.6356 4.5876 4.5876 4.6735 4.6735 4.8264 4.8264 4.9806 4.9806 5.6031 5.6031 5.8429 5.8429 5.9270 5.9270 6.2345 6.2345 7.6729 7.6729 8.6050 8.6050 16.2378 16.2378 16.4986 16.4986 17.0563 17.0563 17.3186 17.3186 k = 0.2429 0.6841-0.4278 ( 2852 PWs) bands (ev): -16.1245 -16.1245 -16.0242 -16.0242 -15.9392 -15.9392 -15.9293 -15.9293 -0.2074 -0.2074 -0.0559 -0.0559 0.4677 0.4677 0.5341 0.5341 1.1468 1.1468 1.3734 1.3734 1.6304 1.6304 2.2278 2.2278 2.4373 2.4373 2.9828 2.9828 3.5347 3.5347 3.6283 3.6283 4.5593 4.5593 4.6528 4.6528 4.8182 4.8182 4.9690 4.9690 5.6111 5.6111 5.8337 5.8337 5.9365 5.9365 6.2084 6.2084 7.6882 7.6882 8.6451 8.6451 16.2163 16.2163 16.4663 16.4663 17.0150 17.0150 17.3118 17.3118 k = 0.2286 0.6841-0.4278 ( 2848 PWs) bands (ev): -16.1263 -16.1263 -16.0210 -16.0210 -15.9403 -15.9403 -15.9300 -15.9300 -0.2230 -0.2230 -0.0582 -0.0582 0.4708 0.4708 0.5515 0.5515 1.1681 1.1681 1.4154 1.4154 1.6132 1.6132 2.2421 2.2421 2.4181 2.4181 2.9874 2.9874 3.5204 3.5204 3.6210 3.6210 4.5304 4.5304 4.6321 4.6321 4.8102 4.8102 4.9589 4.9589 5.6162 5.6162 5.8222 5.8222 5.9499 5.9499 6.1833 6.1833 7.7039 7.7039 8.6834 8.6834 16.1964 16.1964 16.4349 16.4349 16.9745 16.9745 17.3059 17.3059 k = 0.2143 0.6841-0.4278 ( 2854 PWs) bands (ev): -16.1280 -16.1280 -16.0178 -16.0178 -15.9415 -15.9415 -15.9308 -15.9308 -0.2382 -0.2382 -0.0608 -0.0608 0.4752 0.4752 0.5698 0.5698 1.1879 1.1879 1.4550 1.4550 1.5982 1.5982 2.2564 2.2564 2.3991 2.3991 2.9906 2.9906 3.5065 3.5065 3.6139 3.6139 4.5012 4.5012 4.6112 4.6112 4.8024 4.8024 4.9501 4.9501 5.6180 5.6180 5.8118 5.8118 5.9635 5.9635 6.1598 6.1598 7.7197 7.7197 8.7200 8.7200 16.1781 16.1781 16.4047 16.4047 16.9352 16.9352 17.3010 17.3010 k = 0.2000 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1296 -16.1296 -16.0146 -16.0146 -15.9427 -15.9427 -15.9316 -15.9316 -0.2527 -0.2527 -0.0635 -0.0635 0.4807 0.4807 0.5887 0.5887 1.2061 1.2061 1.4891 1.4891 1.5884 1.5884 2.2707 2.2707 2.3806 2.3806 2.9924 2.9924 3.4933 3.4933 3.6069 3.6069 4.4724 4.4724 4.5903 4.5903 4.7948 4.7948 4.9424 4.9424 5.6164 5.6164 5.8044 5.8044 5.9755 5.9755 6.1391 6.1391 7.7354 7.7354 8.7547 8.7547 16.1614 16.1614 16.3759 16.3759 16.8972 16.8972 17.2968 17.2968 k = 0.1857 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1311 -16.1311 -16.0114 -16.0114 -15.9440 -15.9440 -15.9324 -15.9324 -0.2666 -0.2666 -0.0662 -0.0662 0.4872 0.4872 0.6079 0.6079 1.2225 1.2225 1.5091 1.5091 1.5925 1.5925 2.2844 2.2844 2.3630 2.3630 2.9926 2.9926 3.4811 3.4811 3.6002 3.6002 4.4442 4.4442 4.5695 4.5695 4.7875 4.7875 4.9358 4.9358 5.6116 5.6116 5.8003 5.8003 5.9842 5.9842 6.1221 6.1221 7.7508 7.7508 8.7874 8.7874 16.1463 16.1463 16.3485 16.3485 16.8608 16.8608 17.2932 17.2932 k = 0.1714 0.6841-0.4278 ( 2860 PWs) bands (ev): -16.1326 -16.1326 -16.0083 -16.0083 -15.9454 -15.9454 -15.9331 -15.9331 -0.2797 -0.2797 -0.0690 -0.0690 0.4945 0.4945 0.6272 0.6272 1.2371 1.2371 1.5094 1.5094 1.6160 1.6160 2.2959 2.2959 2.3481 2.3481 2.9911 2.9911 3.4700 3.4700 3.5938 3.5938 4.4168 4.4168 4.5490 4.5490 4.7804 4.7804 4.9299 4.9299 5.6043 5.6043 5.7990 5.7990 5.9882 5.9882 6.1104 6.1104 7.7656 7.7656 8.8180 8.8180 16.1328 16.1328 16.3228 16.3228 16.8262 16.8262 17.2901 17.2901 k = 0.1571 0.6841-0.4278 ( 2858 PWs) bands (ev): -16.1339 -16.1339 -16.0052 -16.0052 -15.9469 -15.9469 -15.9338 -15.9338 -0.2920 -0.2920 -0.0719 -0.0719 0.5024 0.5024 0.6463 0.6463 1.2498 1.2498 1.4995 1.4995 1.6496 1.6496 2.2992 2.2992 2.3417 2.3417 2.9879 2.9879 3.4602 3.4602 3.5877 3.5877 4.3905 4.3905 4.5290 4.5290 4.7738 4.7738 4.9249 4.9249 5.5952 5.5952 5.7999 5.7999 5.9865 5.9865 6.1050 6.1050 7.7799 7.7799 8.8465 8.8465 16.1207 16.1207 16.2989 16.2989 16.7935 16.7935 17.2876 17.2876 k = 0.1429 0.6841-0.4278 ( 2860 PWs) bands (ev): -16.1351 -16.1351 -16.0021 -16.0021 -15.9485 -15.9485 -15.9345 -15.9345 -0.3033 -0.3033 -0.0746 -0.0746 0.5108 0.5108 0.6650 0.6650 1.2607 1.2607 1.4864 1.4864 1.6860 1.6860 2.2894 2.2894 2.3485 2.3485 2.9830 2.9830 3.4518 3.4518 3.5820 3.5820 4.3656 4.3656 4.5096 4.5096 4.7675 4.7675 4.9204 4.9204 5.5852 5.5852 5.8024 5.8024 5.9797 5.9797 6.1051 6.1051 7.7934 7.7934 8.8728 8.8728 16.1101 16.1101 16.2768 16.2768 16.7630 16.7630 17.2854 17.2854 k = 0.1286 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1362 -16.1362 -15.9991 -15.9991 -15.9502 -15.9502 -15.9351 -15.9351 -0.3138 -0.3138 -0.0773 -0.0773 0.5193 0.5193 0.6831 0.6831 1.2697 1.2697 1.4728 1.4728 1.7228 1.7228 2.2733 2.2733 2.3618 2.3618 2.9765 2.9765 3.4449 3.4449 3.5767 3.5767 4.3423 4.3423 4.4912 4.4912 4.7618 4.7618 4.9165 4.9165 5.5748 5.5748 5.8058 5.8058 5.9697 5.9697 6.1090 6.1090 7.8059 7.8059 8.8968 8.8968 16.1008 16.1008 16.2565 16.2565 16.7348 16.7348 17.2836 17.2836 k = 0.1143 0.6841-0.4278 ( 2858 PWs) bands (ev): -16.1372 -16.1372 -15.9961 -15.9961 -15.9519 -15.9519 -15.9356 -15.9356 -0.3232 -0.3232 -0.0798 -0.0798 0.5279 0.5279 0.7003 0.7003 1.2769 1.2769 1.4597 1.4597 1.7588 1.7588 2.2553 2.2553 2.3769 2.3769 2.9686 2.9686 3.4393 3.4393 3.5719 3.5719 4.3207 4.3207 4.4740 4.4740 4.7565 4.7565 4.9131 4.9131 5.5648 5.5648 5.8096 5.8096 5.9584 5.9584 6.1148 6.1148 7.8174 7.8174 8.9183 8.9183 16.0928 16.0928 16.2383 16.2383 16.7090 16.7090 17.2822 17.2822 k = 0.1000 0.6841-0.4278 ( 2860 PWs) bands (ev): -16.1380 -16.1380 -15.9932 -15.9932 -15.9538 -15.9538 -15.9361 -15.9361 -0.3316 -0.3316 -0.0821 -0.0821 0.5361 0.5361 0.7163 0.7163 1.2825 1.2825 1.4474 1.4474 1.7936 1.7936 2.2365 2.2365 2.3923 2.3923 2.9597 2.9597 3.4350 3.4350 3.5675 3.5675 4.3010 4.3010 4.4582 4.4582 4.7518 4.7518 4.9101 4.9101 5.5553 5.5553 5.8135 5.8135 5.9470 5.9470 6.1212 6.1212 7.8276 7.8276 8.9375 8.9375 16.0860 16.0860 16.2221 16.2221 16.6859 16.6859 17.2810 17.2810 k = 0.0857 0.6841-0.4278 ( 2858 PWs) bands (ev): -16.1388 -16.1388 -15.9904 -15.9904 -15.9557 -15.9557 -15.9365 -15.9365 -0.3389 -0.3389 -0.0841 -0.0841 0.5438 0.5438 0.7309 0.7309 1.2866 1.2866 1.4365 1.4365 1.8268 1.8268 2.2176 2.2176 2.4073 2.4073 2.9503 2.9503 3.4318 3.4318 3.5637 3.5637 4.2835 4.2835 4.4440 4.4440 4.7477 4.7477 4.9076 4.9076 5.5467 5.5467 5.8171 5.8171 5.9364 5.9364 6.1276 6.1276 7.8368 7.8368 8.9543 8.9543 16.0803 16.0803 16.2079 16.2079 16.6655 16.6655 17.2800 17.2800 k = 0.0714 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1394 -16.1394 -15.9877 -15.9877 -15.9576 -15.9576 -15.9368 -15.9368 -0.3451 -0.3451 -0.0860 -0.0860 0.5509 0.5509 0.7438 0.7438 1.2894 1.2894 1.4270 1.4270 1.8580 1.8580 2.1988 2.1988 2.4214 2.4214 2.9407 2.9407 3.4296 3.4296 3.5604 3.5604 4.2684 4.2684 4.4316 4.4316 4.7441 4.7441 4.9054 4.9054 5.5393 5.5393 5.8204 5.8204 5.9271 5.9271 6.1334 6.1334 7.8446 7.8446 8.9686 8.9686 16.0757 16.0757 16.1959 16.1959 16.6480 16.6480 17.2792 17.2792 k = 0.0571 0.6841-0.4278 ( 2852 PWs) bands (ev): -16.1400 -16.1400 -15.9852 -15.9852 -15.9595 -15.9595 -15.9371 -15.9371 -0.3503 -0.3503 -0.0875 -0.0875 0.5569 0.5569 0.7547 0.7547 1.2911 1.2911 1.4191 1.4191 1.8865 1.8865 2.1805 2.1805 2.4340 2.4340 2.9317 2.9317 3.4282 3.4282 3.5577 3.5577 4.2557 4.2557 4.4212 4.4212 4.7412 4.7412 4.9037 4.9037 5.5331 5.5331 5.8232 5.8232 5.9193 5.9193 6.1385 6.1385 7.8511 7.8511 8.9803 8.9803 16.0721 16.0721 16.1860 16.1860 16.6335 16.6335 17.2786 17.2786 k = 0.0429 0.6841-0.4278 ( 2852 PWs) bands (ev): -16.1404 -16.1404 -15.9828 -15.9828 -15.9613 -15.9613 -15.9374 -15.9374 -0.3543 -0.3543 -0.0887 -0.0887 0.5619 0.5619 0.7635 0.7635 1.2920 1.2920 1.4129 1.4129 1.9115 1.9115 2.1636 2.1636 2.4446 2.4446 2.9238 2.9238 3.4273 3.4273 3.5555 3.5555 4.2457 4.2457 4.4129 4.4129 4.7389 4.7389 4.9023 4.9023 5.5281 5.5281 5.8254 5.8254 5.9131 5.9131 6.1425 6.1425 7.8561 7.8561 8.9894 8.9894 16.0693 16.0693 16.1783 16.1783 16.6221 16.6221 17.2782 17.2782 k = 0.0286 0.6841-0.4278 ( 2852 PWs) bands (ev): -16.1407 -16.1407 -15.9809 -15.9809 -15.9629 -15.9629 -15.9375 -15.9375 -0.3572 -0.3572 -0.0895 -0.0895 0.5656 0.5656 0.7699 0.7699 1.2925 1.2925 1.4085 1.4085 1.9318 1.9318 2.1492 2.1492 2.4526 2.4526 2.9177 2.9177 3.4268 3.4268 3.5540 3.5540 4.2384 4.2384 4.4070 4.4070 4.7372 4.7372 4.9014 4.9014 5.5246 5.5246 5.8269 5.8269 5.9086 5.9086 6.1454 6.1454 7.8598 7.8598 8.9959 8.9959 16.0674 16.0674 16.1728 16.1728 16.6139 16.6139 17.2779 17.2779 k = 0.0143 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1409 -16.1409 -15.9795 -15.9795 -15.9640 -15.9640 -15.9376 -15.9376 -0.3589 -0.3589 -0.0901 -0.0901 0.5678 0.5678 0.7739 0.7739 1.2926 1.2926 1.4059 1.4059 1.9454 1.9454 2.1392 2.1392 2.4576 2.4576 2.9137 2.9137 3.4266 3.4266 3.5531 3.5531 4.2340 4.2340 4.4033 4.4033 4.7362 4.7362 4.9008 4.9008 5.5224 5.5224 5.8278 5.8278 5.9059 5.9059 6.1472 6.1472 7.8620 7.8620 8.9998 8.9998 16.0662 16.0662 16.1695 16.1695 16.6090 16.6090 17.2777 17.2777 k = 0.0000 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1409 -16.1409 -15.9790 -15.9790 -15.9644 -15.9644 -15.9376 -15.9376 -0.3595 -0.3595 -0.0903 -0.0903 0.5686 0.5686 0.7752 0.7752 1.2927 1.2927 1.4050 1.4050 1.9502 1.9502 2.1355 2.1355 2.4593 2.4593 2.9123 2.9123 3.4265 3.4265 3.5528 3.5528 4.2325 4.2325 4.4021 4.4021 4.7359 4.7359 4.9006 4.9006 5.5217 5.5217 5.8281 5.8281 5.9050 5.9050 6.1478 6.1478 7.8628 7.8628 9.0011 9.0011 16.0659 16.0659 16.1684 16.1684 16.6073 16.6073 17.2776 17.2776 k = 0.0000 0.6841-0.4278 ( 2856 PWs) bands (ev): -16.1409 -16.1409 -15.9790 -15.9790 -15.9644 -15.9644 -15.9376 -15.9376 -0.3595 -0.3595 -0.0903 -0.0903 0.5686 0.5686 0.7752 0.7752 1.2927 1.2927 1.4050 1.4050 1.9502 1.9502 2.1355 2.1355 2.4593 2.4593 2.9123 2.9123 3.4265 3.4265 3.5528 3.5528 4.2325 4.2325 4.4021 4.4021 4.7359 4.7359 4.9006 4.9006 5.5217 5.5217 5.8281 5.8281 5.9050 5.9050 6.1478 6.1478 7.8628 7.8628 9.0011 9.0011 16.0659 16.0659 16.1684 16.1684 16.6073 16.6073 17.2776 17.2776 k = 0.0000 0.6910-0.4168 ( 2855 PWs) bands (ev): -16.1407 -16.1407 -15.9796 -15.9796 -15.9643 -15.9643 -15.9375 -15.9375 -0.3591 -0.3591 -0.0891 -0.0891 0.5684 0.5684 0.7755 0.7755 1.2903 1.2903 1.4045 1.4045 1.9526 1.9526 2.1334 2.1334 2.4592 2.4592 2.9132 2.9132 3.4254 3.4254 3.5466 3.5466 4.2380 4.2380 4.4040 4.4040 4.7365 4.7365 4.9012 4.9012 5.5225 5.5225 5.8282 5.8282 5.9054 5.9054 6.1473 6.1473 7.8624 7.8624 8.9992 8.9992 16.0669 16.0669 16.1697 16.1697 16.5889 16.5889 17.2965 17.2965 k = 0.0000 0.6979-0.4058 ( 2859 PWs) bands (ev): -16.1401 -16.1401 -15.9813 -15.9813 -15.9640 -15.9640 -15.9369 -15.9369 -0.3577 -0.3577 -0.0853 -0.0853 0.5679 0.5679 0.7766 0.7766 1.2833 1.2833 1.4031 1.4031 1.9594 1.9594 2.1269 2.1269 2.4586 2.4586 2.9156 2.9156 3.4219 3.4219 3.5288 3.5288 4.2538 4.2538 4.4095 4.4095 4.7385 4.7385 4.9030 4.9030 5.5248 5.5248 5.8284 5.8284 5.9065 5.9065 6.1459 6.1459 7.8614 7.8614 8.9934 8.9934 16.0698 16.0698 16.1739 16.1739 16.5389 16.5389 17.3480 17.3480 k = 0.0000 0.7047-0.3949 ( 2853 PWs) bands (ev): -16.1390 -16.1390 -15.9838 -15.9838 -15.9637 -15.9637 -15.9361 -15.9361 -0.3553 -0.3553 -0.0790 -0.0790 0.5670 0.5670 0.7785 0.7785 1.2718 1.2718 1.4010 1.4010 1.9704 1.9704 2.1164 2.1164 2.4578 2.4578 2.9194 2.9194 3.4163 3.4163 3.5012 3.5012 4.2785 4.2785 4.4185 4.4185 4.7417 4.7417 4.9061 4.9061 5.5287 5.5287 5.8288 5.8288 5.9086 5.9086 6.1437 6.1437 7.8599 7.8599 8.9839 8.9839 16.0748 16.0748 16.1807 16.1807 16.4674 16.4674 17.4220 17.4220 k = 0.0000 0.7116-0.3839 ( 2853 PWs) bands (ev): -16.1375 -16.1375 -15.9871 -15.9871 -15.9634 -15.9634 -15.9350 -15.9350 -0.3520 -0.3520 -0.0703 -0.0703 0.5656 0.5656 0.7810 0.7810 1.2562 1.2562 1.3985 1.3985 1.9849 1.9849 2.1022 2.1022 2.4565 2.4565 2.9241 2.9241 3.4086 3.4086 3.4660 3.4660 4.3100 4.3100 4.4308 4.4308 4.7462 4.7462 4.9103 4.9103 5.5340 5.5340 5.8293 5.8293 5.9113 5.9113 6.1406 6.1406 7.8576 7.8576 8.9705 8.9705 16.0816 16.0816 16.1901 16.1901 16.3831 16.3831 17.5099 17.5099 k = 0.0000 0.7185-0.3729 ( 2853 PWs) bands (ev): -16.1356 -16.1356 -15.9910 -15.9910 -15.9633 -15.9633 -15.9336 -15.9336 -0.3479 -0.3479 -0.0591 -0.0591 0.5636 0.5636 0.7843 0.7843 1.2372 1.2372 1.3957 1.3957 2.0023 2.0023 2.0848 2.0848 2.4549 2.4549 2.9289 2.9289 3.3980 3.3980 3.4265 3.4265 4.3463 4.3463 4.4460 4.4460 4.7519 4.7519 4.9158 4.9158 5.5406 5.5406 5.8302 5.8302 5.9150 5.9150 6.1367 6.1367 7.8548 7.8548 8.9535 8.9535 16.0905 16.0905 16.2013 16.2013 16.2921 16.2921 17.6063 17.6063 k = 0.0000 0.7253-0.3619 ( 2852 PWs) bands (ev): -16.1333 -16.1333 -15.9956 -15.9956 -15.9632 -15.9632 -15.9321 -15.9321 -0.3428 -0.3428 -0.0455 -0.0455 0.5608 0.5608 0.7882 0.7882 1.2153 1.2153 1.3926 1.3926 2.0218 2.0218 2.0648 2.0648 2.4530 2.4530 2.9329 2.9329 3.3740 3.3740 3.3957 3.3957 4.3858 4.3858 4.4641 4.4641 4.7586 4.7586 4.9223 4.9223 5.5484 5.5484 5.8315 5.8315 5.9196 5.9196 6.1320 6.1320 7.8515 7.8515 8.9328 8.9328 16.1011 16.1011 16.1863 16.1863 16.2252 16.2252 17.7083 17.7083 k = 0.5000 0.6429 0.4937 ( 2846 PWs) bands (ev): -16.0833 -16.0833 -16.0830 -16.0830 -15.9257 -15.9257 -15.9217 -15.9217 -0.0817 -0.0817 -0.0775 -0.0775 0.4932 0.4932 0.5288 0.5288 0.8736 0.8736 0.8999 0.8999 1.9561 1.9561 1.9597 1.9597 2.7702 2.7702 2.7746 2.7746 3.6696 3.6696 3.6710 3.6710 4.7738 4.7738 4.8018 4.8018 5.0898 5.0898 5.2039 5.2039 5.4290 5.4290 5.5650 5.5650 6.3204 6.3204 6.3464 6.3464 7.8424 7.8424 7.8689 7.8689 16.7471 16.7471 16.7559 16.7559 17.4714 17.4714 17.4811 17.4811 k = 0.5000 0.6287 0.4937 ( 2848 PWs) bands (ev): -16.0854 -16.0854 -16.0849 -16.0849 -15.9245 -15.9245 -15.9202 -15.9202 -0.0988 -0.0988 -0.0947 -0.0947 0.4869 0.4869 0.5217 0.5217 0.9073 0.9073 0.9330 0.9330 1.9604 1.9604 1.9627 1.9627 2.7686 2.7686 2.7735 2.7735 3.6545 3.6545 3.6549 3.6549 4.7685 4.7685 4.8037 4.8037 5.0900 5.0900 5.2022 5.2022 5.4310 5.4310 5.5694 5.5694 6.3244 6.3244 6.3561 6.3561 7.8387 7.8387 7.8684 7.8684 16.7319 16.7319 16.7408 16.7408 17.4307 17.4307 17.4347 17.4347 k = 0.5000 0.6144 0.4937 ( 2848 PWs) bands (ev): -16.0879 -16.0879 -16.0873 -16.0873 -15.9231 -15.9231 -15.9185 -15.9185 -0.1174 -0.1174 -0.1136 -0.1136 0.4819 0.4819 0.5158 0.5158 0.9423 0.9423 0.9672 0.9672 1.9664 1.9664 1.9674 1.9674 2.7662 2.7662 2.7714 2.7714 3.6357 3.6357 3.6363 3.6363 4.7633 4.7633 4.8056 4.8056 5.0906 5.0906 5.2004 5.2004 5.4332 5.4332 5.5733 5.5733 6.3305 6.3305 6.3682 6.3682 7.8345 7.8345 7.8674 7.8674 16.7074 16.7074 16.7167 16.7167 17.3781 17.3781 17.3785 17.3785 k = 0.5000 0.6001 0.4937 ( 2850 PWs) bands (ev): -16.0907 -16.0907 -16.0900 -16.0900 -15.9214 -15.9214 -15.9166 -15.9166 -0.1372 -0.1372 -0.1338 -0.1338 0.4783 0.4783 0.5109 0.5109 0.9785 0.9785 1.0026 1.0026 1.9739 1.9739 1.9742 1.9742 2.7630 2.7630 2.7685 2.7685 3.6136 3.6136 3.6152 3.6152 4.7582 4.7582 4.8074 4.8074 5.0916 5.0916 5.1983 5.1983 5.4358 5.4358 5.5767 5.5767 6.3388 6.3388 6.3825 6.3825 7.8299 7.8299 7.8661 7.8661 16.6753 16.6753 16.6850 16.6850 17.3157 17.3157 17.3174 17.3174 k = 0.5000 0.5858 0.4937 ( 2854 PWs) bands (ev): -16.0940 -16.0940 -16.0931 -16.0931 -15.9197 -15.9197 -15.9145 -15.9145 -0.1581 -0.1581 -0.1552 -0.1552 0.4757 0.4757 0.5070 0.5070 1.0159 1.0159 1.0391 1.0391 1.9822 1.9822 1.9838 1.9838 2.7589 2.7589 2.7649 2.7649 3.5889 3.5889 3.5914 3.5914 4.7529 4.7529 4.8089 4.8089 5.0928 5.0928 5.1957 5.1957 5.4389 5.4389 5.5797 5.5797 6.3493 6.3493 6.3989 6.3989 7.8248 7.8248 7.8643 7.8643 16.6370 16.6370 16.6471 16.6471 17.2490 17.2490 17.2517 17.2517 k = 0.5000 0.5715 0.4937 ( 2860 PWs) bands (ev): -16.0975 -16.0975 -16.0965 -16.0965 -15.9177 -15.9177 -15.9123 -15.9123 -0.1799 -0.1799 -0.1776 -0.1776 0.4741 0.4741 0.5039 0.5039 1.0543 1.0543 1.0765 1.0765 1.9921 1.9921 1.9952 1.9952 2.7540 2.7540 2.7605 2.7605 3.5617 3.5617 3.5651 3.5651 4.7475 4.7475 4.8100 4.8100 5.0940 5.0940 5.1925 5.1925 5.4426 5.4426 5.5825 5.5825 6.3619 6.3619 6.4176 6.4176 7.8193 7.8193 7.8622 7.8622 16.5938 16.5938 16.6044 16.6044 17.1799 17.1799 17.1831 17.1831 k = 0.5000 0.5572 0.4937 ( 2864 PWs) bands (ev): -16.1013 -16.1013 -16.1002 -16.1002 -15.9156 -15.9156 -15.9100 -15.9100 -0.2024 -0.2024 -0.2007 -0.2007 0.4733 0.4733 0.5015 0.5015 1.0937 1.0937 1.1149 1.1149 2.0037 2.0037 2.0083 2.0083 2.7484 2.7484 2.7555 2.7555 3.5322 3.5322 3.5365 3.5365 4.7418 4.7418 4.8105 4.8105 5.0951 5.0951 5.1885 5.1885 5.4470 5.4470 5.5851 5.5851 6.3765 6.3765 6.4382 6.4382 7.8133 7.8133 7.8596 7.8596 16.5467 16.5467 16.5578 16.5578 17.1095 17.1095 17.1129 17.1129 k = 0.5000 0.5429 0.4937 ( 2866 PWs) bands (ev): -16.1053 -16.1053 -16.1042 -16.1042 -15.9134 -15.9134 -15.9076 -15.9076 -0.2254 -0.2254 -0.2244 -0.2244 0.4733 0.4733 0.4999 0.4999 1.1340 1.1340 1.1542 1.1542 2.0170 2.0170 2.0230 2.0230 2.7422 2.7422 2.7499 2.7499 3.5007 3.5007 3.5059 3.5059 4.7357 4.7357 4.8104 4.8104 5.0959 5.0959 5.1837 5.1837 5.4523 5.4523 5.5877 5.5877 6.3931 6.3931 6.4609 6.4609 7.8069 7.8069 7.8567 7.8567 16.4968 16.4968 16.5082 16.5082 17.0384 17.0384 17.0419 17.0419 k = 0.5000 0.5286 0.4937 ( 2866 PWs) bands (ev): -16.1096 -16.1096 -16.1085 -16.1085 -15.9111 -15.9111 -15.9052 -15.9052 -0.2490 -0.2490 -0.2487 -0.2487 0.4740 0.4740 0.4989 0.4989 1.1753 1.1753 1.1944 1.1944 2.0317 2.0317 2.0393 2.0393 2.7355 2.7355 2.7438 2.7438 3.4673 3.4673 3.4733 3.4733 4.7293 4.7293 4.8095 4.8095 5.0962 5.0962 5.1778 5.1778 5.4583 5.4583 5.5904 5.5904 6.4115 6.4115 6.4853 6.4853 7.8001 7.8001 7.8534 7.8534 16.4447 16.4447 16.4564 16.4564 16.9670 16.9670 16.9705 16.9705 k = 0.5000 0.5144 0.4937 ( 2862 PWs) bands (ev): -16.1142 -16.1142 -16.1130 -16.1130 -15.9087 -15.9087 -15.9027 -15.9027 -0.2733 -0.2733 -0.2729 -0.2729 0.4752 0.4752 0.4984 0.4984 1.2174 1.2174 1.2354 1.2354 2.0479 2.0479 2.0572 2.0572 2.7282 2.7282 2.7374 2.7374 3.4323 3.4323 3.4390 3.4390 4.7224 4.7224 4.8078 4.8078 5.0959 5.0959 5.1709 5.1709 5.4653 5.4653 5.5932 5.5932 6.4315 6.4315 6.5114 6.5114 7.7928 7.7928 7.8499 7.8499 16.3909 16.3909 16.4030 16.4030 16.8955 16.8955 16.8991 16.8991 k = 0.5000 0.5001 0.4937 ( 2862 PWs) bands (ev): -16.1189 -16.1189 -16.1177 -16.1177 -15.9062 -15.9062 -15.9001 -15.9001 -0.2981 -0.2981 -0.2970 -0.2970 0.4770 0.4770 0.4985 0.4985 1.2604 1.2604 1.2773 1.2773 2.0654 2.0654 2.0764 2.0764 2.7206 2.7206 2.7306 2.7306 3.3958 3.3958 3.4033 3.4033 4.7149 4.7149 4.8051 4.8051 5.0947 5.0947 5.1628 5.1628 5.4732 5.4732 5.5964 5.5964 6.4531 6.4531 6.5391 6.5391 7.7852 7.7852 7.8460 7.8460 16.3361 16.3361 16.3484 16.3484 16.8243 16.8243 16.8279 16.8279 k = 0.5000 0.4858 0.4937 ( 2860 PWs) bands (ev): -16.1238 -16.1238 -16.1225 -16.1225 -15.9037 -15.9037 -15.8975 -15.8975 -0.3231 -0.3231 -0.3214 -0.3214 0.4793 0.4793 0.4992 0.4992 1.3041 1.3041 1.3200 1.3200 2.0841 2.0841 2.0970 2.0970 2.7127 2.7127 2.7237 2.7237 3.3581 3.3581 3.3663 3.3663 4.7069 4.7069 4.8015 4.8015 5.0926 5.0926 5.1536 5.1536 5.4819 5.4819 5.5999 5.5999 6.4759 6.4759 6.5680 6.5680 7.7771 7.7771 7.8419 7.8419 16.2806 16.2806 16.2930 16.2930 16.7535 16.7535 16.7572 16.7572 k = 0.5000 0.4715 0.4937 ( 2862 PWs) bands (ev): -16.1288 -16.1288 -16.1276 -16.1276 -15.9012 -15.9012 -15.8948 -15.8948 -0.3482 -0.3482 -0.3458 -0.3458 0.4821 0.4821 0.5003 0.5003 1.3486 1.3486 1.3634 1.3634 2.1038 2.1038 2.1186 2.1186 2.7045 2.7045 2.7166 2.7166 3.3193 3.3193 3.3282 3.3282 4.6982 4.6982 4.7969 4.7969 5.0894 5.0894 5.1432 5.1432 5.4914 5.4914 5.6038 5.6038 6.4999 6.4999 6.5980 6.5980 7.7688 7.7688 7.8377 7.8377 16.2246 16.2246 16.2372 16.2372 16.6831 16.6831 16.6869 16.6869 k = 0.5000 0.4572 0.4937 ( 2862 PWs) bands (ev): -16.1340 -16.1340 -16.1328 -16.1328 -15.8986 -15.8986 -15.8921 -15.8921 -0.3733 -0.3733 -0.3703 -0.3703 0.4853 0.4853 0.5019 0.5019 1.3939 1.3939 1.4075 1.4075 2.1244 2.1244 2.1413 2.1413 2.6963 2.6963 2.7096 2.7096 3.2796 3.2796 3.2891 3.2891 4.6889 4.6889 4.7913 4.7913 5.0850 5.0850 5.1316 5.1316 5.5016 5.5016 5.6084 5.6084 6.5248 6.5248 6.6289 6.6289 7.7602 7.7602 7.8333 7.8333 16.1686 16.1686 16.1812 16.1812 16.6132 16.6132 16.6173 16.6173 k = 0.5000 0.4429 0.4937 ( 2862 PWs) bands (ev): -16.1392 -16.1392 -16.1381 -16.1381 -15.8959 -15.8959 -15.8895 -15.8895 -0.3983 -0.3983 -0.3947 -0.3947 0.4890 0.4890 0.5041 0.5041 1.4398 1.4398 1.4524 1.4524 2.1456 2.1456 2.1648 2.1648 2.6882 2.6882 2.7028 2.7028 3.2392 3.2392 3.2494 3.2494 4.6789 4.6789 4.7847 4.7847 5.0794 5.0794 5.1190 5.1190 5.5125 5.5125 5.6136 5.6136 6.5503 6.5503 6.6605 6.6605 7.7514 7.7514 7.8290 7.8290 16.1128 16.1128 16.1254 16.1254 16.5440 16.5440 16.5483 16.5483 k = 0.5000 0.4286 0.4937 ( 2858 PWs) bands (ev): -16.1446 -16.1446 -16.1435 -16.1435 -15.8933 -15.8933 -15.8868 -15.8868 -0.4232 -0.4232 -0.4190 -0.4190 0.4933 0.4933 0.5068 0.5068 1.4863 1.4863 1.4978 1.4978 2.1673 2.1673 2.1890 2.1890 2.6802 2.6802 2.6963 2.6963 3.1984 3.1984 3.2091 3.2091 4.6683 4.6683 4.7771 4.7771 5.0725 5.0725 5.1053 5.1053 5.5241 5.5241 5.6194 5.6194 6.5763 6.5763 6.6925 6.6925 7.7425 7.7425 7.8247 7.8247 16.0574 16.0574 16.0699 16.0699 16.4756 16.4756 16.4801 16.4801 k = 0.5000 0.4143 0.4937 ( 2856 PWs) bands (ev): -16.1500 -16.1500 -16.1489 -16.1489 -15.8907 -15.8907 -15.8841 -15.8841 -0.4479 -0.4479 -0.4432 -0.4432 0.4979 0.4979 0.5099 0.5099 1.5334 1.5334 1.5438 1.5438 2.1893 2.1893 2.2135 2.2135 2.6726 2.6726 2.6904 2.6904 3.1573 3.1573 3.1686 3.1686 4.6570 4.6570 4.7684 4.7684 5.0643 5.0643 5.0906 5.0906 5.5361 5.5361 5.6259 5.6259 6.6025 6.6025 6.7247 6.7247 7.7337 7.7337 7.8205 7.8205 16.0025 16.0025 16.0150 16.0150 16.4079 16.4079 16.4127 16.4127 k = 0.5000 0.4001 0.4937 ( 2850 PWs) bands (ev): -16.1555 -16.1555 -16.1545 -16.1545 -15.8881 -15.8881 -15.8814 -15.8814 -0.4724 -0.4724 -0.4671 -0.4671 0.5031 0.5031 0.5136 0.5136 1.5811 1.5811 1.5903 1.5903 2.2112 2.2112 2.2381 2.2381 2.6655 2.6655 2.6850 2.6850 3.1161 3.1161 3.1280 3.1280 4.6450 4.6450 4.7589 4.7589 5.0548 5.0548 5.0750 5.0750 5.5485 5.5485 5.6330 5.6330 6.6286 6.6286 6.7568 6.7568 7.7250 7.7250 7.8167 7.8167 15.9484 15.9484 15.9607 15.9607 16.3410 16.3410 16.3462 16.3462 k = 0.5000 0.3858 0.4937 ( 2854 PWs) bands (ev): -16.1610 -16.1610 -16.1600 -16.1600 -15.8855 -15.8855 -15.8788 -15.8788 -0.4966 -0.4966 -0.4908 -0.4908 0.5087 0.5087 0.5178 0.5178 1.6291 1.6291 1.6373 1.6373 2.2327 2.2327 2.2624 2.2624 2.6591 2.6591 2.6805 2.6805 3.0751 3.0751 3.0877 3.0877 4.6323 4.6323 4.7482 4.7482 5.0439 5.0439 5.0585 5.0585 5.5612 5.5612 5.6406 5.6406 6.6542 6.6542 6.7883 6.7883 7.7167 7.7167 7.8134 7.8134 15.8952 15.8952 15.9074 15.9074 16.2751 16.2751 16.2806 16.2806 k = 0.5000 0.3715 0.4937 ( 2856 PWs) bands (ev): -16.1665 -16.1665 -16.1656 -16.1656 -15.8829 -15.8829 -15.8762 -15.8762 -0.5204 -0.5204 -0.5142 -0.5142 0.5148 0.5148 0.5225 0.5225 1.6774 1.6774 1.6845 1.6845 2.2534 2.2534 2.2860 2.2860 2.6536 2.6536 2.6768 2.6768 3.0347 3.0347 3.0480 3.0480 4.6189 4.6189 4.7366 4.7366 5.0318 5.0318 5.0412 5.0412 5.5742 5.5742 5.6488 5.6488 6.6792 6.6792 6.8192 6.8192 7.7089 7.7089 7.8105 7.8105 15.8431 15.8431 15.8550 15.8550 16.2101 16.2101 16.2160 16.2160 k = 0.5000 0.3572 0.4937 ( 2854 PWs) bands (ev): -16.1720 -16.1720 -16.1712 -16.1712 -15.8803 -15.8803 -15.8736 -15.8736 -0.5438 -0.5438 -0.5372 -0.5372 0.5214 0.5214 0.5277 0.5277 1.7259 1.7259 1.7319 1.7319 2.2730 2.2730 2.3085 2.3085 2.6491 2.6491 2.6741 2.6741 2.9954 2.9954 3.0093 3.0093 4.6048 4.6048 4.7242 4.7242 5.0186 5.0186 5.0232 5.0232 5.5873 5.5873 5.6576 5.6576 6.7034 6.7034 6.8491 6.8491 7.7018 7.7018 7.8085 7.8085 15.7921 15.7921 15.8039 15.8039 16.1462 16.1462 16.1525 16.1525 k = 0.5000 0.3429 0.4937 ( 2854 PWs) bands (ev): -16.1775 -16.1775 -16.1767 -16.1767 -15.8778 -15.8778 -15.8711 -15.8711 -0.5667 -0.5667 -0.5597 -0.5597 0.5285 0.5285 0.5334 0.5334 1.7745 1.7745 1.7795 1.7795 2.2911 2.2911 2.3292 2.3292 2.6457 2.6457 2.6722 2.6722 2.9577 2.9577 2.9724 2.9724 4.5901 4.5901 4.7108 4.7108 5.0043 5.0043 5.0045 5.0045 5.6006 5.6006 5.6667 5.6667 6.7264 6.7264 6.8775 6.8775 7.6958 7.6958 7.8073 7.8073 15.7424 15.7424 15.7540 15.7540 16.0834 16.0834 16.0901 16.0901 k = 0.5000 0.3286 0.4937 ( 2854 PWs) bands (ev): -16.1829 -16.1829 -16.1822 -16.1822 -15.8753 -15.8753 -15.8686 -15.8686 -0.5892 -0.5892 -0.5818 -0.5818 0.5360 0.5360 0.5397 0.5397 1.8229 1.8229 1.8269 1.8269 2.3074 2.3074 2.3477 2.3477 2.6433 2.6433 2.6706 2.6706 2.9224 2.9224 2.9380 2.9380 4.5748 4.5748 4.6966 4.6966 4.9853 4.9853 4.9889 4.9889 5.6138 5.6138 5.6762 5.6762 6.7479 6.7479 6.9042 6.9042 7.6909 7.6909 7.8071 7.8071 15.6942 15.6942 15.7055 15.7055 16.0218 16.0218 16.0289 16.0289 k = 0.5000 0.3143 0.4937 ( 2852 PWs) bands (ev): -16.1883 -16.1883 -16.1876 -16.1876 -15.8729 -15.8729 -15.8662 -15.8662 -0.6110 -0.6110 -0.6033 -0.6033 0.5440 0.5440 0.5464 0.5464 1.8711 1.8711 1.8740 1.8740 2.3215 2.3215 2.3634 2.3634 2.6411 2.6411 2.6685 2.6685 2.8909 2.8909 2.9077 2.9077 4.5588 4.5588 4.6816 4.6816 4.9656 4.9656 4.9727 4.9727 5.6270 5.6270 5.6860 5.6860 6.7679 6.7679 6.9289 6.9289 7.6876 7.6876 7.8081 7.8081 15.6474 15.6474 15.6585 15.6585 15.9616 15.9616 15.9691 15.9691 k = 0.5000 0.3000 0.4937 ( 2848 PWs) bands (ev): -16.1936 -16.1936 -16.1929 -16.1929 -15.8705 -15.8705 -15.8638 -15.8638 -0.6323 -0.6323 -0.6243 -0.6243 0.5526 0.5526 0.5537 0.5537 1.9187 1.9187 1.9206 1.9206 2.3333 2.3333 2.3760 2.3760 2.6379 2.6379 2.6645 2.6645 2.8650 2.8650 2.8831 2.8831 4.5423 4.5423 4.6659 4.6659 4.9454 4.9454 4.9557 4.9557 5.6401 5.6401 5.6959 5.6959 6.7861 6.7861 6.9512 6.9512 7.6859 7.6859 7.8103 7.8103 15.6023 15.6023 15.6132 15.6132 15.9027 15.9027 15.9106 15.9106 k = 0.5000 0.2858 0.4937 ( 2846 PWs) bands (ev): -16.1988 -16.1988 -16.1982 -16.1982 -15.8682 -15.8682 -15.8615 -15.8615 -0.6530 -0.6530 -0.6446 -0.6446 0.5614 0.5614 0.5615 0.5615 1.9655 1.9655 1.9665 1.9665 2.3427 2.3427 2.3853 2.3853 2.6319 2.6319 2.6567 2.6567 2.8469 2.8469 2.8662 2.8662 4.5252 4.5252 4.6494 4.6494 4.9249 4.9249 4.9379 4.9379 5.6529 5.6529 5.7060 5.7060 6.8023 6.8023 6.9708 6.9708 7.6862 7.6862 7.8138 7.8138 15.5589 15.5589 15.5696 15.5696 15.8453 15.8453 15.8535 15.8535 k = 0.5000 0.2715 0.4937 ( 2846 PWs) bands (ev): -16.2038 -16.2038 -16.2033 -16.2033 -15.8660 -15.8660 -15.8593 -15.8593 -0.6729 -0.6729 -0.6643 -0.6643 0.5695 0.5695 0.5708 0.5708 2.0110 2.0110 2.0112 2.0112 2.3497 2.3497 2.3912 2.3912 2.6215 2.6215 2.6440 2.6440 2.8385 2.8385 2.8586 2.8586 4.5075 4.5075 4.6324 4.6324 4.9040 4.9040 4.9196 4.9196 5.6655 5.6655 5.7160 5.7160 6.8164 6.8164 6.9876 6.9876 7.6886 7.6886 7.8187 7.8187 15.5173 15.5173 15.5277 15.5277 15.7894 15.7894 15.7981 15.7981 k = 0.5000 0.2572 0.4937 ( 2846 PWs) bands (ev): -16.2087 -16.2087 -16.2082 -16.2082 -15.8638 -15.8638 -15.8571 -15.8571 -0.6922 -0.6922 -0.6833 -0.6833 0.5780 0.5780 0.5805 0.5805 2.0544 2.0544 2.0549 2.0549 2.3546 2.3546 2.3941 2.3941 2.6063 2.6063 2.6268 2.6268 2.8400 2.8400 2.8600 2.8600 4.4893 4.4893 4.6148 4.6148 4.8829 4.8829 4.9007 4.9007 5.6778 5.6778 5.7260 5.7260 6.8284 6.8284 7.0013 7.0013 7.6932 7.6932 7.8250 7.8250 15.4776 15.4776 15.4878 15.4878 15.7353 15.7353 15.7443 15.7443 k = 0.5000 0.2429 0.4937 ( 2848 PWs) bands (ev): -16.2135 -16.2135 -16.2130 -16.2130 -15.8617 -15.8617 -15.8550 -15.8550 -0.7106 -0.7106 -0.7015 -0.7015 0.5868 0.5868 0.5905 0.5905 2.0954 2.0954 2.0966 2.0966 2.3573 2.3573 2.3940 2.3940 2.5881 2.5881 2.6068 2.6068 2.8501 2.8501 2.8690 2.8690 4.4707 4.4707 4.5967 4.5967 4.8617 4.8617 4.8815 4.8815 5.6898 5.6898 5.7358 5.7358 6.8382 6.8382 7.0120 7.0120 7.6998 7.6998 7.8326 7.8326 15.4398 15.4398 15.4497 15.4497 15.6830 15.6830 15.6924 15.6924 k = 0.5000 0.2286 0.4937 ( 2844 PWs) bands (ev): -16.2181 -16.2181 -16.2177 -16.2177 -15.8597 -15.8597 -15.8530 -15.8530 -0.7282 -0.7282 -0.7189 -0.7189 0.5960 0.5960 0.6008 0.6008 2.1337 2.1337 2.1352 2.1352 2.3580 2.3580 2.3912 2.3912 2.5694 2.5694 2.5866 2.5866 2.8667 2.8667 2.8836 2.8836 4.4518 4.4518 4.5783 4.5783 4.8405 4.8405 4.8621 4.8621 5.7013 5.7013 5.7455 5.7455 6.8460 6.8460 7.0198 7.0198 7.7086 7.7086 7.8414 7.8414 15.4040 15.4040 15.4137 15.4137 15.6326 15.6326 15.6423 15.6423 k = 0.5000 0.2143 0.4937 ( 2842 PWs) bands (ev): -16.2224 -16.2224 -16.2221 -16.2221 -15.8578 -15.8578 -15.8511 -15.8511 -0.7450 -0.7450 -0.7355 -0.7355 0.6054 0.6054 0.6113 0.6113 2.1682 2.1682 2.1700 2.1700 2.3566 2.3566 2.3857 2.3857 2.5528 2.5528 2.5685 2.5685 2.8877 2.8877 2.9021 2.9021 4.4326 4.4326 4.5597 4.5597 4.8193 4.8193 4.8426 4.8426 5.7124 5.7124 5.7548 5.7548 6.8518 6.8518 7.0248 7.0248 7.7192 7.7192 7.8513 7.8513 15.3703 15.3703 15.3798 15.3798 15.5842 15.5842 15.5942 15.5942 k = 0.5000 0.2000 0.4937 ( 2838 PWs) bands (ev): -16.2266 -16.2266 -16.2263 -16.2263 -15.8560 -15.8560 -15.8493 -15.8493 -0.7609 -0.7609 -0.7512 -0.7512 0.6149 0.6149 0.6218 0.6218 2.1976 2.1976 2.1996 2.1996 2.3530 2.3530 2.3778 2.3778 2.5408 2.5408 2.5552 2.5552 2.9118 2.9118 2.9233 2.9233 4.4132 4.4132 4.5410 4.5410 4.7983 4.7983 4.8231 4.8231 5.7230 5.7230 5.7639 5.7639 6.8558 6.8558 7.0273 7.0273 7.7314 7.7314 7.8621 7.8621 15.3388 15.3388 15.3481 15.3481 15.5379 15.5379 15.5483 15.5483 k = 0.5000 0.1857 0.4937 ( 2834 PWs) bands (ev): -16.2306 -16.2306 -16.2303 -16.2303 -15.8543 -15.8543 -15.8476 -15.8476 -0.7758 -0.7758 -0.7660 -0.7660 0.6245 0.6245 0.6325 0.6325 2.2204 2.2204 2.2230 2.2230 2.3469 2.3469 2.3683 2.3683 2.5349 2.5349 2.5485 2.5485 2.9378 2.9378 2.9462 2.9462 4.3938 4.3938 4.5223 4.5223 4.7776 4.7776 4.8039 4.8039 5.7330 5.7330 5.7725 5.7725 6.8581 6.8581 7.0277 7.0277 7.7447 7.7447 7.8736 7.8736 15.3094 15.3094 15.3186 15.3186 15.4940 15.4940 15.5046 15.5046 k = 0.5000 0.1715 0.4937 ( 2832 PWs) bands (ev): -16.2343 -16.2343 -16.2341 -16.2341 -15.8526 -15.8526 -15.8460 -15.8460 -0.7898 -0.7898 -0.7798 -0.7798 0.6340 0.6340 0.6431 0.6431 2.2348 2.2348 2.2390 2.2390 2.3390 2.3390 2.3588 2.3588 2.5359 2.5359 2.5496 2.5496 2.9647 2.9647 2.9700 2.9700 4.3745 4.3745 4.5038 4.5038 4.7574 4.7574 4.7850 4.7850 5.7424 5.7424 5.7807 5.7807 6.8590 6.8590 7.0262 7.0262 7.7588 7.7588 7.8856 7.8856 15.2824 15.2824 15.2913 15.2913 15.4524 15.4524 15.4633 15.4633 k = 0.5000 0.1572 0.4937 ( 2838 PWs) bands (ev): -16.2378 -16.2378 -16.2376 -16.2376 -15.8512 -15.8512 -15.8445 -15.8445 -0.8028 -0.8028 -0.7927 -0.7927 0.6434 0.6434 0.6535 0.6535 2.2395 2.2395 2.2469 2.2469 2.3305 2.3305 2.3513 2.3513 2.5434 2.5434 2.5582 2.5582 2.9921 2.9921 2.9941 2.9941 4.3552 4.3552 4.4856 4.4856 4.7375 4.7375 4.7665 4.7665 5.7512 5.7512 5.7884 5.7884 6.8588 6.8588 7.0234 7.0234 7.7733 7.7733 7.8977 7.8977 15.2576 15.2576 15.2663 15.2663 15.4133 15.4133 15.4245 15.4245 k = 0.5000 0.1429 0.4937 ( 2840 PWs) bands (ev): -16.2410 -16.2410 -16.2409 -16.2409 -15.8498 -15.8498 -15.8432 -15.8432 -0.8148 -0.8148 -0.8046 -0.8046 0.6526 0.6526 0.6636 0.6636 2.2352 2.2352 2.2467 2.2467 2.3234 2.3234 2.3469 2.3469 2.5561 2.5561 2.5727 2.5727 3.0180 3.0180 3.0193 3.0193 4.3365 4.3365 4.4679 4.4679 4.7185 4.7185 4.7487 4.7487 5.7593 5.7593 5.7956 5.7956 6.8575 6.8575 7.0194 7.0194 7.7879 7.7879 7.9097 7.9097 15.2352 15.2352 15.2437 15.2437 15.3768 15.3768 15.3883 15.3883 k = 0.5000 0.1286 0.4937 ( 2842 PWs) bands (ev): -16.2440 -16.2440 -16.2439 -16.2439 -15.8485 -15.8485 -15.8419 -15.8419 -0.8257 -0.8257 -0.8154 -0.8154 0.6614 0.6614 0.6734 0.6734 2.2245 2.2245 2.2396 2.2396 2.3187 2.3187 2.3447 2.3447 2.5725 2.5725 2.5909 2.5909 3.0413 3.0413 3.0458 3.0458 4.3183 4.3183 4.4510 4.4510 4.7004 4.7004 4.7318 4.7318 5.7668 5.7668 5.8022 5.8022 6.8555 6.8555 7.0147 7.0147 7.8022 7.8022 7.9215 7.9215 15.2152 15.2152 15.2235 15.2235 15.3430 15.3430 15.3548 15.3548 k = 0.5000 0.1143 0.4937 ( 2846 PWs) bands (ev): -16.2466 -16.2466 -16.2466 -16.2466 -15.8474 -15.8474 -15.8408 -15.8408 -0.8356 -0.8356 -0.8252 -0.8252 0.6698 0.6698 0.6825 0.6825 2.2103 2.2103 2.2280 2.2280 2.3158 2.3158 2.3435 2.3435 2.5906 2.5906 2.6110 2.6110 3.0635 3.0635 3.0711 3.0711 4.3010 4.3010 4.4351 4.4351 4.6834 4.6834 4.7160 4.7160 5.7735 5.7735 5.8082 5.8082 6.8531 6.8531 7.0097 7.0097 7.8158 7.8158 7.9328 7.9328 15.1976 15.1976 15.2057 15.2057 15.3120 15.3120 15.3241 15.3241 k = 0.5000 0.1000 0.4937 ( 2842 PWs) bands (ev): -16.2490 -16.2490 -16.2490 -16.2490 -15.8464 -15.8464 -15.8398 -15.8398 -0.8443 -0.8443 -0.8338 -0.8338 0.6775 0.6775 0.6911 0.6911 2.1951 2.1951 2.2145 2.2145 2.3140 2.3140 2.3426 2.3426 2.6092 2.6092 2.6314 2.6314 3.0843 3.0843 3.0949 3.0949 4.2847 4.2847 4.4203 4.4203 4.6677 4.6677 4.7015 4.7015 5.7795 5.7795 5.8136 5.8136 6.8504 6.8504 7.0047 7.0047 7.8286 7.8286 7.9433 7.9433 15.1825 15.1825 15.1903 15.1903 15.2840 15.2840 15.2964 15.2964 k = 0.5000 0.0857 0.4937 ( 2848 PWs) bands (ev): -16.2511 -16.2511 -16.2511 -16.2511 -15.8455 -15.8455 -15.8389 -15.8389 -0.8520 -0.8520 -0.8414 -0.8414 0.6845 0.6845 0.6988 0.6988 2.1801 2.1801 2.2009 2.2009 2.3125 2.3125 2.3417 2.3417 2.6271 2.6271 2.6509 2.6509 3.1032 3.1032 3.1166 3.1166 4.2698 4.2698 4.4068 4.4068 4.6535 4.6535 4.6883 4.6883 5.7848 5.7848 5.8183 5.8183 6.8477 6.8477 6.9997 6.9997 7.8400 7.8400 7.9527 7.9527 15.1698 15.1698 15.1774 15.1774 15.2590 15.2590 15.2717 15.2717 k = 0.5000 0.0714 0.4937 ( 2846 PWs) bands (ev): -16.2529 -16.2529 -16.2529 -16.2529 -15.8447 -15.8447 -15.8382 -15.8382 -0.8584 -0.8584 -0.8478 -0.8478 0.6907 0.6907 0.7056 0.7056 2.1664 2.1664 2.1882 2.1882 2.3114 2.3114 2.3408 2.3408 2.6434 2.6434 2.6685 2.6685 3.1199 3.1199 3.1359 3.1359 4.2565 4.2565 4.3950 4.3950 4.6412 4.6412 4.6769 4.6769 5.7893 5.7893 5.8223 5.8223 6.8450 6.8450 6.9952 6.9952 7.8501 7.8501 7.9611 7.9611 15.1597 15.1597 15.1669 15.1669 15.2371 15.2371 15.2502 15.2502 k = 0.5000 0.0572 0.4937 ( 2844 PWs) bands (ev): -16.2543 -16.2543 -16.2543 -16.2543 -15.8441 -15.8441 -15.8375 -15.8375 -0.8637 -0.8637 -0.8531 -0.8531 0.6959 0.6959 0.7113 0.7113 2.1546 2.1546 2.1771 2.1771 2.3104 2.3104 2.3399 2.3399 2.6574 2.6574 2.6838 2.6838 3.1341 3.1341 3.1524 3.1524 4.2452 4.2452 4.3850 4.3850 4.6307 4.6307 4.6673 4.6673 5.7930 5.7930 5.8257 5.8257 6.8427 6.8427 6.9912 6.9912 7.8587 7.8587 7.9682 7.9682 15.1519 15.1519 15.1588 15.1588 15.2185 15.2185 15.2320 15.2320 k = 0.5000 0.0429 0.4937 ( 2840 PWs) bands (ev): -16.2555 -16.2555 -16.2554 -16.2554 -15.8436 -15.8436 -15.8371 -15.8371 -0.8679 -0.8679 -0.8572 -0.8572 0.7001 0.7001 0.7160 0.7160 2.1451 2.1451 2.1681 2.1681 2.3096 2.3096 2.3391 2.3391 2.6688 2.6688 2.6960 2.6960 3.1455 3.1455 3.1657 3.1657 4.2360 4.2360 4.3771 4.3771 4.6224 4.6224 4.6596 4.6596 5.7959 5.7959 5.8283 5.8283 6.8407 6.8407 6.9880 6.9880 7.8655 7.8655 7.9739 7.9739 15.1464 15.1464 15.1528 15.1528 15.2034 15.2034 15.2174 15.2174 k = 0.5000 0.0286 0.4937 ( 2836 PWs) bands (ev): -16.2563 -16.2563 -16.2563 -16.2563 -15.8433 -15.8433 -15.8367 -15.8367 -0.8708 -0.8708 -0.8601 -0.8601 0.7032 0.7032 0.7194 0.7194 2.1381 2.1381 2.1615 2.1615 2.3090 2.3090 2.3385 2.3385 2.6771 2.6771 2.7051 2.7051 3.1539 3.1539 3.1754 3.1754 4.2293 4.2293 4.3713 4.3713 4.6163 4.6163 4.6541 4.6541 5.7979 5.7979 5.8302 5.8302 6.8392 6.8392 6.9857 6.9857 7.8704 7.8704 7.9780 7.9780 15.1430 15.1430 15.1489 15.1489 15.1921 15.1921 15.2066 15.2066 k = 0.5000 0.0143 0.4937 ( 2842 PWs) bands (ev): -16.2568 -16.2568 -16.2568 -16.2568 -15.8431 -15.8431 -15.8365 -15.8365 -0.8726 -0.8726 -0.8619 -0.8619 0.7051 0.7051 0.7214 0.7214 2.1338 2.1338 2.1574 2.1574 2.3086 2.3086 2.3382 2.3382 2.6822 2.6822 2.7105 2.7105 3.1589 3.1589 3.1813 3.1813 4.2251 4.2251 4.3677 4.3677 4.6125 4.6125 4.6507 4.6507 5.7992 5.7992 5.8313 5.8313 6.8383 6.8383 6.9842 6.9842 7.8734 7.8734 7.9805 7.9805 15.1412 15.1412 15.1468 15.1468 15.1850 15.1850 15.1999 15.1999 k = 0.5000-0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2570 -16.2570 -16.2569 -16.2569 -15.8430 -15.8430 -15.8364 -15.8364 -0.8733 -0.8733 -0.8625 -0.8625 0.7057 0.7057 0.7221 0.7221 2.1324 2.1324 2.1561 2.1561 2.3085 2.3085 2.3380 2.3380 2.6839 2.6839 2.7124 2.7124 3.1606 3.1606 3.1833 3.1833 4.2237 4.2237 4.3664 4.3664 4.6113 4.6113 4.6495 4.6495 5.7996 5.7996 5.8317 5.8317 6.8379 6.8379 6.9836 6.9836 7.8744 7.8744 7.9813 7.9813 15.1407 15.1407 15.1461 15.1461 15.1825 15.1825 15.1976 15.1976 k = 0.5000-0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2570 -16.2570 -16.2569 -16.2569 -15.8430 -15.8430 -15.8364 -15.8364 -0.8733 -0.8733 -0.8625 -0.8625 0.7057 0.7057 0.7221 0.7221 2.1324 2.1324 2.1561 2.1561 2.3085 2.3085 2.3380 2.3380 2.6839 2.6839 2.7124 2.7124 3.1606 3.1606 3.1833 3.1833 4.2237 4.2237 4.3664 4.3664 4.6113 4.6113 4.6495 4.6495 5.7996 5.7996 5.8317 5.8317 6.8379 6.8379 6.9836 6.9836 7.8744 7.8744 7.9813 7.9813 15.1407 15.1407 15.1461 15.1461 15.1825 15.1825 15.1976 15.1976 k = 0.5000-0.0000 0.4792 ( 2844 PWs) bands (ev): -16.2569 -16.2569 -16.2569 -16.2569 -15.8431 -15.8431 -15.8365 -15.8365 -0.8721 -0.8721 -0.8613 -0.8613 0.7060 0.7060 0.7225 0.7225 2.1276 2.1276 2.1496 2.1496 2.3113 2.3113 2.3386 2.3386 2.6852 2.6852 2.7134 2.7134 3.1585 3.1585 3.1812 3.1812 4.2262 4.2262 4.3688 4.3688 4.6129 4.6129 4.6511 4.6511 5.7992 5.7992 5.8313 5.8313 6.8384 6.8384 6.9841 6.9841 7.8742 7.8742 7.9812 7.9812 15.0726 15.0726 15.0811 15.0811 15.2513 15.2513 15.2633 15.2633 k = 0.5000-0.0000 0.4646 ( 2842 PWs) bands (ev): -16.2568 -16.2568 -16.2567 -16.2567 -15.8433 -15.8433 -15.8367 -15.8367 -0.8687 -0.8687 -0.8579 -0.8579 0.7071 0.7071 0.7235 0.7235 2.1141 2.1141 2.1319 2.1319 2.3177 2.3177 2.3395 2.3395 2.6892 2.6892 2.7163 2.7163 3.1524 3.1524 3.1752 3.1752 4.2336 4.2336 4.3758 4.3758 4.6175 4.6175 4.6556 4.6556 5.7981 5.7981 5.8304 5.8304 6.8399 6.8399 6.9857 6.9857 7.8738 7.8738 7.9809 7.9809 14.9882 14.9882 14.9967 14.9967 15.3380 15.3380 15.3499 15.3499 k = 0.5000-0.0000 0.4501 ( 2844 PWs) bands (ev): -16.2565 -16.2565 -16.2565 -16.2565 -15.8436 -15.8436 -15.8371 -15.8371 -0.8630 -0.8630 -0.8523 -0.8523 0.7090 0.7090 0.7253 0.7253 2.0935 2.0935 2.1064 2.1064 2.3243 2.3243 2.3391 2.3391 2.6955 2.6955 2.7211 2.7211 3.1429 3.1429 3.1658 3.1658 4.2455 4.2455 4.3871 4.3871 4.6251 4.6251 4.6630 4.6630 5.7963 5.7963 5.8289 5.8289 6.8422 6.8422 6.9882 6.9882 7.8731 7.8731 7.9804 7.9804 14.9037 14.9037 14.9119 14.9119 15.4261 15.4261 15.4384 15.4384 k = 0.5000-0.0000 0.4356 ( 2846 PWs) bands (ev): -16.2561 -16.2561 -16.2561 -16.2561 -15.8441 -15.8441 -15.8376 -15.8376 -0.8550 -0.8550 -0.8443 -0.8443 0.7115 0.7115 0.7278 0.7278 2.0674 2.0674 2.0759 2.0759 2.3283 2.3283 2.3360 2.3360 2.7036 2.7036 2.7273 2.7273 3.1310 3.1310 3.1542 3.1542 4.2617 4.2617 4.4023 4.4023 4.6356 4.6356 4.6730 4.6730 5.7938 5.7938 5.8267 5.8267 6.8456 6.8456 6.9916 6.9916 7.8723 7.8723 7.9798 7.9798 14.8200 14.8200 14.8279 14.8279 15.5149 15.5149 15.5276 15.5276 k = 0.5000-0.0000 0.4211 ( 2846 PWs) bands (ev): -16.2557 -16.2557 -16.2556 -16.2556 -15.8447 -15.8447 -15.8383 -15.8383 -0.8447 -0.8447 -0.8341 -0.8341 0.7147 0.7147 0.7309 0.7309 2.0372 2.0372 2.0419 2.0419 2.3278 2.3278 2.3289 2.3289 2.7126 2.7126 2.7343 2.7343 3.1183 3.1183 3.1416 3.1416 4.2816 4.2816 4.4210 4.4210 4.6488 4.6488 4.6856 4.6856 5.7906 5.7906 5.8239 5.8239 6.8498 6.8498 6.9960 6.9960 7.8712 7.8712 7.9790 7.9790 14.7373 14.7373 14.7447 14.7447 15.6042 15.6042 15.6175 15.6175 k = 0.5000-0.0000 0.4066 ( 2850 PWs) bands (ev): -16.2551 -16.2551 -16.2551 -16.2551 -15.8454 -15.8454 -15.8391 -15.8391 -0.8323 -0.8323 -0.8217 -0.8217 0.7187 0.7187 0.7348 0.7348 2.0041 2.0041 2.0056 2.0056 2.3175 2.3175 2.3222 2.3222 2.7208 2.7208 2.7407 2.7407 3.1064 3.1064 3.1299 3.1299 4.3046 4.3046 4.4425 4.4425 4.6644 4.6644 4.7003 4.7003 5.7866 5.7866 5.8204 5.8204 6.8548 6.8548 7.0012 7.0012 7.8701 7.8701 7.9781 7.9781 14.6556 14.6556 14.6626 14.6626 15.6939 15.6939 15.7078 15.7078 k = 0.5000-0.0000 0.3920 ( 2844 PWs) bands (ev): -16.2545 -16.2545 -16.2545 -16.2545 -15.8462 -15.8462 -15.8400 -15.8400 -0.8175 -0.8175 -0.8071 -0.8071 0.7234 0.7234 0.7393 0.7393 1.9676 1.9676 1.9687 1.9687 2.3016 2.3016 2.3112 2.3112 2.7266 2.7266 2.7448 2.7448 3.0975 3.0975 3.1211 3.1211 4.3304 4.3304 4.4664 4.4664 4.6823 4.6823 4.7170 4.7170 5.7819 5.7819 5.8164 5.8164 6.8607 6.8607 7.0072 7.0072 7.8690 7.8690 7.9773 7.9773 14.5751 14.5751 14.5816 14.5816 15.7840 15.7840 15.7984 15.7984 k = 0.5000-0.0000 0.3775 ( 2848 PWs) bands (ev): -16.2537 -16.2537 -16.2537 -16.2537 -15.8472 -15.8472 -15.8410 -15.8410 -0.8006 -0.8006 -0.7902 -0.7902 0.7287 0.7287 0.7445 0.7445 1.9282 1.9282 1.9315 1.9315 2.2814 2.2814 2.2952 2.2952 2.7281 2.7281 2.7445 2.7445 3.0938 3.0938 3.1169 3.1169 4.3583 4.3583 4.4920 4.4920 4.7021 4.7021 4.7351 4.7351 5.7765 5.7765 5.8116 5.8116 6.8673 6.8673 7.0138 7.0138 7.8679 7.8679 7.9764 7.9764 14.4958 14.4958 14.5019 14.5019 15.8744 15.8744 15.8893 15.8893 k = 0.5000-0.0000 0.3630 ( 2846 PWs) bands (ev): -16.2529 -16.2529 -16.2529 -16.2529 -15.8482 -15.8482 -15.8422 -15.8422 -0.7815 -0.7815 -0.7712 -0.7712 0.7346 0.7346 0.7503 0.7503 1.8877 1.8877 1.8928 1.8928 2.2575 2.2575 2.2746 2.2746 2.7238 2.7238 2.7385 2.7385 3.0967 3.0967 3.1190 3.1190 4.3880 4.3880 4.5191 4.5191 4.7236 4.7236 4.7545 4.7545 5.7703 5.7703 5.8062 5.8062 6.8746 6.8746 7.0210 7.0210 7.8669 7.8669 7.9757 7.9757 14.4179 14.4179 14.4236 14.4236 15.9649 15.9649 15.9804 15.9804 k = 0.5000-0.0000 0.3485 ( 2848 PWs) bands (ev): -16.2520 -16.2520 -16.2520 -16.2520 -15.8494 -15.8494 -15.8434 -15.8434 -0.7602 -0.7602 -0.7501 -0.7501 0.7412 0.7412 0.7566 0.7566 1.8461 1.8461 1.8528 1.8528 2.2303 2.2303 2.2499 2.2499 2.7132 2.7132 2.7261 2.7261 3.1069 3.1069 3.1279 3.1279 4.4191 4.4191 4.5470 4.5470 4.7464 4.7464 4.7746 4.7746 5.7633 5.7633 5.8002 5.8002 6.8825 6.8825 7.0285 7.0285 7.8663 7.8663 7.9751 7.9751 14.3415 14.3415 14.3468 14.3468 16.0554 16.0554 16.0715 16.0715 k = 0.5000-0.0000 0.3340 ( 2846 PWs) bands (ev): -16.2511 -16.2511 -16.2510 -16.2510 -15.8506 -15.8506 -15.8448 -15.8448 -0.7369 -0.7369 -0.7268 -0.7268 0.7484 0.7484 0.7636 0.7636 1.8036 1.8036 1.8115 1.8115 2.2003 2.2003 2.2219 2.2219 2.6968 2.6968 2.7079 2.7079 3.1238 3.1238 3.1433 3.1433 4.4513 4.4513 4.5756 4.5756 4.7703 4.7703 4.7954 4.7954 5.7557 5.7557 5.7935 5.7935 6.8908 6.8908 7.0363 7.0363 7.8661 7.8661 7.9747 7.9747 14.2666 14.2666 14.2715 14.2715 16.1460 16.1460 16.1626 16.1626 k = 0.5000-0.0000 0.3194 ( 2846 PWs) bands (ev): -16.2501 -16.2501 -16.2500 -16.2500 -15.8519 -15.8519 -15.8463 -15.8463 -0.7114 -0.7114 -0.7015 -0.7015 0.7561 0.7561 0.7710 0.7710 1.7602 1.7602 1.7691 1.7691 2.1682 2.1682 2.1910 2.1910 2.6755 2.6755 2.6851 2.6851 3.1463 3.1463 3.1641 3.1641 4.4842 4.4842 4.6044 4.6044 4.7950 4.7950 4.8164 4.8164 5.7474 5.7474 5.7863 5.7863 6.8994 6.8994 7.0442 7.0442 7.8664 7.8664 7.9746 7.9746 14.1935 14.1935 14.1980 14.1980 16.2364 16.2364 16.2536 16.2536 k = 0.5000-0.0000 0.3049 ( 2848 PWs) bands (ev): -16.2490 -16.2490 -16.2489 -16.2489 -15.8533 -15.8533 -15.8478 -15.8478 -0.6840 -0.6840 -0.6742 -0.6742 0.7643 0.7643 0.7790 0.7790 1.7157 1.7157 1.7254 1.7254 2.1344 2.1344 2.1579 2.1579 2.6505 2.6505 2.6591 2.6591 3.1729 3.1729 3.1893 3.1893 4.5177 4.5177 4.6331 4.6331 4.8202 4.8202 4.8373 4.8373 5.7385 5.7385 5.7785 5.7785 6.9083 6.9083 7.0518 7.0518 7.8673 7.8673 7.9748 7.9748 14.1221 14.1221 14.1262 14.1262 16.3265 16.3265 16.3442 16.3442 k = 0.5000-0.0000 0.2904 ( 2844 PWs) bands (ev): -16.2479 -16.2479 -16.2478 -16.2478 -15.8547 -15.8547 -15.8494 -15.8494 -0.6545 -0.6545 -0.6449 -0.6449 0.7729 0.7729 0.7873 0.7873 1.6702 1.6702 1.6805 1.6805 2.0995 2.0995 2.1232 2.1232 2.6232 2.6232 2.6309 2.6309 3.2024 3.2024 3.2175 3.2175 4.5514 4.5514 4.6617 4.6617 4.8457 4.8457 4.8580 4.8580 5.7290 5.7290 5.7701 5.7701 6.9173 6.9173 7.0592 7.0592 7.8690 7.8690 7.9755 7.9755 14.0527 14.0527 14.0564 14.0564 16.4163 16.4163 16.4345 16.4345 k = 0.5000-0.0000 0.2759 ( 2846 PWs) bands (ev): -16.2467 -16.2467 -16.2466 -16.2466 -15.8562 -15.8562 -15.8510 -15.8510 -0.6232 -0.6232 -0.6138 -0.6138 0.7820 0.7820 0.7960 0.7960 1.6237 1.6237 1.6343 1.6343 2.0640 2.0640 2.0876 2.0876 2.5943 2.5943 2.6015 2.6015 3.2340 3.2340 3.2479 3.2479 4.5852 4.5852 4.6897 4.6897 4.8713 4.8713 4.8783 4.8783 5.7189 5.7189 5.7613 5.7613 6.9263 6.9263 7.0661 7.0661 7.8716 7.8716 7.9766 7.9766 13.9853 13.9853 13.9887 13.9887 16.5055 16.5055 16.5242 16.5242 k = 0.5000-0.0000 0.2614 ( 2848 PWs) bands (ev): -16.2455 -16.2455 -16.2454 -16.2454 -15.8577 -15.8577 -15.8527 -15.8527 -0.5901 -0.5901 -0.5808 -0.5808 0.7913 0.7913 0.8050 0.8050 1.5759 1.5759 1.5867 1.5867 2.0285 2.0285 2.0515 2.0515 2.5648 2.5648 2.5717 2.5717 3.2668 3.2668 3.2796 3.2796 4.6189 4.6189 4.7170 4.7170 4.8967 4.8967 4.8979 4.8979 5.7084 5.7084 5.7519 5.7519 6.9351 6.9351 7.0723 7.0723 7.8751 7.8751 7.9782 7.9782 13.9201 13.9201 13.9232 13.9232 16.5940 16.5940 16.6132 16.6132 k = 0.5000-0.0000 0.2468 ( 2848 PWs) bands (ev): -16.2443 -16.2443 -16.2442 -16.2442 -15.8592 -15.8592 -15.8545 -15.8545 -0.5551 -0.5551 -0.5461 -0.5461 0.8009 0.8009 0.8143 0.8143 1.5270 1.5270 1.5377 1.5377 1.9933 1.9933 2.0154 2.0154 2.5351 2.5351 2.5418 2.5418 3.3002 3.3002 3.3121 3.3121 4.6522 4.6522 4.7434 4.7434 4.9167 4.9167 4.9218 4.9218 5.6975 5.6975 5.7422 5.7422 6.9437 6.9437 7.0776 7.0776 7.8796 7.8796 7.9803 7.9803 13.8573 13.8573 13.8600 13.8600 16.6817 16.6817 16.7013 16.7013 k = 0.5000-0.0000 0.2323 ( 2850 PWs) bands (ev): -16.2431 -16.2431 -16.2430 -16.2430 -15.8608 -15.8608 -15.8562 -15.8562 -0.5185 -0.5185 -0.5097 -0.5097 0.8107 0.8107 0.8236 0.8236 1.4769 1.4769 1.4874 1.4874 1.9590 1.9590 1.9800 1.9800 2.5057 2.5057 2.5123 2.5123 3.3338 3.3338 3.3448 3.3448 4.6850 4.6850 4.7688 4.7688 4.9347 4.9347 4.9464 4.9464 5.6863 5.6863 5.7322 5.7322 6.9520 6.9520 7.0821 7.0821 7.8851 7.8851 7.9829 7.9829 13.7969 13.7969 13.7993 13.7993 16.7683 16.7683 16.7882 16.7882 k = 0.5000-0.0000 0.2178 ( 2848 PWs) bands (ev): -16.2419 -16.2419 -16.2417 -16.2417 -15.8623 -15.8623 -15.8579 -15.8579 -0.4803 -0.4803 -0.4717 -0.4717 0.8205 0.8205 0.8330 0.8330 1.4257 1.4257 1.4359 1.4359 1.9258 1.9258 1.9454 1.9454 2.4769 2.4769 2.4836 2.4836 3.3671 3.3671 3.3773 3.3773 4.7171 4.7171 4.7930 4.7930 4.9518 4.9518 4.9704 4.9704 5.6750 5.6750 5.7219 5.7219 6.9599 6.9599 7.0854 7.0854 7.8917 7.8917 7.9860 7.9860 13.7391 13.7391 13.7413 13.7413 16.8536 16.8536 16.8737 16.8737 k = 0.5000-0.0000 0.2033 ( 2846 PWs) bands (ev): -16.2406 -16.2406 -16.2405 -16.2405 -15.8638 -15.8638 -15.8597 -15.8597 -0.4407 -0.4407 -0.4323 -0.4323 0.8303 0.8303 0.8423 0.8423 1.3736 1.3736 1.3834 1.3834 1.8941 1.8941 1.9123 1.9123 2.4491 2.4491 2.4558 2.4558 3.3998 3.3998 3.4093 3.4093 4.7483 4.7483 4.8159 4.8159 4.9680 4.9680 4.9936 4.9936 5.6636 5.6636 5.7114 5.7114 6.9674 6.9674 7.0877 7.0877 7.8993 7.8993 7.9896 7.9896 13.6841 13.6841 13.6860 13.6860 16.9372 16.9372 16.9575 16.9575 k = 0.5000-0.0000 0.1888 ( 2852 PWs) bands (ev): -16.2395 -16.2395 -16.2393 -16.2393 -15.8652 -15.8652 -15.8614 -15.8614 -0.3998 -0.3998 -0.3916 -0.3916 0.8397 0.8397 0.8512 0.8512 1.3208 1.3208 1.3301 1.3301 1.8641 1.8641 1.8806 1.8806 2.4224 2.4224 2.4291 2.4291 3.4316 3.4316 3.4404 3.4404 4.7783 4.7783 4.8373 4.8373 4.9831 4.9831 5.0158 5.0158 5.6523 5.6523 5.7008 5.7008 6.9743 6.9743 7.0887 7.0887 7.9077 7.9077 7.9935 7.9935 13.6320 13.6320 13.6337 13.6337 17.0190 17.0190 17.0393 17.0393 k = 0.5000-0.0000 0.1742 ( 2854 PWs) bands (ev): -16.2383 -16.2383 -16.2382 -16.2382 -15.8666 -15.8666 -15.8631 -15.8631 -0.3578 -0.3578 -0.3498 -0.3498 0.8487 0.8487 0.8596 0.8596 1.2677 1.2677 1.2763 1.2763 1.8358 1.8358 1.8508 1.8508 2.3971 2.3971 2.4037 2.4037 3.4623 3.4623 3.4704 3.4704 4.8071 4.8071 4.8572 4.8572 4.9974 4.9974 5.0368 5.0368 5.6413 5.6413 5.6901 5.6901 6.9807 6.9807 7.0887 7.0887 7.9169 7.9169 7.9977 7.9977 13.5830 13.5830 13.5845 13.5845 17.0985 17.0985 17.1187 17.1187 k = 0.5000-0.0000 0.1597 ( 2852 PWs) bands (ev): -16.2372 -16.2372 -16.2370 -16.2370 -15.8680 -15.8680 -15.8647 -15.8647 -0.3148 -0.3148 -0.3071 -0.3071 0.8568 0.8568 0.8671 0.8671 1.2148 1.2148 1.2228 1.2228 1.8096 1.8096 1.8230 1.8230 2.3732 2.3732 2.3797 2.3797 3.4916 3.4916 3.4990 3.4990 4.8342 4.8342 4.8756 4.8756 5.0109 5.0109 5.0565 5.0565 5.6308 5.6308 5.6796 5.6796 6.9867 6.9867 7.0876 7.0876 7.9267 7.9267 8.0020 8.0020 13.5372 13.5372 13.5385 13.5385 17.1754 17.1754 17.1953 17.1953 k = 0.5000-0.0000 0.1452 ( 2852 PWs) bands (ev): -16.2361 -16.2361 -16.2360 -16.2360 -15.8693 -15.8693 -15.8662 -15.8662 -0.2711 -0.2711 -0.2637 -0.2637 0.8636 0.8636 0.8733 0.8733 1.1629 1.1629 1.1703 1.1703 1.7854 1.7854 1.7972 1.7972 2.3510 2.3510 2.3573 2.3573 3.5192 3.5192 3.5260 3.5260 4.8596 4.8596 4.8923 4.8923 5.0237 5.0237 5.0746 5.0746 5.6209 5.6209 5.6691 5.6691 6.9922 6.9922 7.0855 7.0855 7.9369 7.9369 8.0064 8.0064 13.4948 13.4948 13.4959 13.4959 17.2491 17.2491 17.2686 17.2686 k = 0.5000-0.0000 0.1307 ( 2846 PWs) bands (ev): -16.2351 -16.2351 -16.2350 -16.2350 -15.8704 -15.8704 -15.8676 -15.8676 -0.2271 -0.2271 -0.2200 -0.2200 0.8682 0.8682 0.8774 0.8774 1.1131 1.1131 1.1198 1.1198 1.7633 1.7633 1.7737 1.7737 2.3306 2.3306 2.3367 2.3367 3.5450 3.5450 3.5511 3.5511 4.8829 4.8829 4.9076 4.9076 5.0360 5.0360 5.0908 5.0908 5.6118 5.6118 5.6590 5.6590 6.9973 6.9973 7.0826 7.0826 7.9474 7.9474 8.0107 8.0107 13.4559 13.4559 13.4568 13.4568 17.3192 17.3192 17.3380 17.3380 k = 0.5000-0.0000 0.1162 ( 2846 PWs) bands (ev): -16.2342 -16.2342 -16.2341 -16.2341 -15.8715 -15.8715 -15.8690 -15.8690 -0.1831 -0.1831 -0.1764 -0.1764 0.8693 0.8693 0.8777 0.8777 1.0672 1.0672 1.0733 1.0733 1.7434 1.7434 1.7524 1.7524 2.3121 2.3121 2.3177 2.3177 3.5687 3.5687 3.5742 3.5742 4.9038 4.9038 4.9212 4.9212 5.0479 5.0479 5.1051 5.1051 5.6038 5.6038 5.6491 5.6491 7.0021 7.0021 7.0789 7.0789 7.9579 7.9579 8.0147 8.0147 13.4207 13.4207 13.4215 13.4215 17.3851 17.3851 17.4029 17.4029 k = 0.5000-0.0000 0.1016 ( 2844 PWs) bands (ev): -16.2333 -16.2333 -16.2332 -16.2332 -15.8724 -15.8724 -15.8702 -15.8702 -0.1397 -0.1397 -0.1334 -0.1334 0.8643 0.8643 0.8721 0.8721 1.0284 1.0284 1.0337 1.0337 1.7258 1.7258 1.7334 1.7334 2.2955 2.2955 2.3007 2.3007 3.5902 3.5902 3.5951 3.5951 4.9221 4.9221 4.9333 4.9333 5.0596 5.0596 5.1170 5.1170 5.5969 5.5969 5.6395 5.6395 7.0066 7.0066 7.0746 7.0746 7.9681 7.9681 8.0183 8.0183 13.3893 13.3893 13.3899 13.3899 17.4460 17.4460 17.4627 17.4627 k = 0.5000-0.0000 0.0871 ( 2846 PWs) bands (ev): -16.2326 -16.2326 -16.2325 -16.2325 -15.8733 -15.8733 -15.8714 -15.8714 -0.0976 -0.0976 -0.0918 -0.0918 0.8504 0.8504 0.8574 0.8574 1.0000 1.0000 1.0047 1.0047 1.7104 1.7104 1.7167 1.7167 2.2810 2.2810 2.2856 2.2856 3.6093 3.6093 3.6135 3.6135 4.9375 4.9375 4.9438 4.9438 5.0712 5.0712 5.1266 5.1266 5.5914 5.5914 5.6304 5.6304 7.0110 7.0110 7.0698 7.0698 7.9780 7.9780 8.0212 8.0212 13.3617 13.3617 13.3623 13.3623 17.5013 17.5013 17.5165 17.5165 k = 0.5000-0.0000 0.0726 ( 2850 PWs) bands (ev): -16.2319 -16.2319 -16.2319 -16.2319 -15.8740 -15.8740 -15.8724 -15.8724 -0.0577 -0.0577 -0.0525 -0.0525 0.8274 0.8274 0.8335 0.8335 0.9832 0.9832 0.9873 0.9873 1.6972 1.6972 1.7024 1.7024 2.2686 2.2686 2.2726 2.2726 3.6258 3.6258 3.6293 3.6293 4.9501 4.9501 4.9528 4.9528 5.0826 5.0826 5.1335 5.1335 5.5874 5.5874 5.6218 5.6218 7.0153 7.0153 7.0647 7.0647 7.9872 7.9872 8.0234 8.0234 13.3383 13.3383 13.3387 13.3387 17.5503 17.5503 17.5636 17.5636 k = 0.5000-0.0000 0.0581 ( 2852 PWs) bands (ev): -16.2314 -16.2314 -16.2313 -16.2313 -15.8745 -15.8745 -15.8732 -15.8732 -0.0212 -0.0212 -0.0167 -0.0167 0.7993 0.7993 0.8044 0.8044 0.9754 0.9754 0.9788 0.9788 1.6865 1.6865 1.6906 1.6906 2.2585 2.2585 2.2618 2.2618 3.6396 3.6396 3.6424 3.6424 4.9599 4.9599 4.9603 4.9603 5.0938 5.0938 5.1379 5.1379 5.5849 5.5849 5.6138 5.6138 7.0196 7.0196 7.0594 7.0594 7.9957 7.9957 8.0248 8.0248 13.3189 13.3189 13.3192 13.3192 17.5920 17.5920 17.6032 17.6032 k = 0.5000-0.0000 0.0436 ( 2854 PWs) bands (ev): -16.2310 -16.2310 -16.2309 -16.2309 -15.8749 -15.8749 -15.8739 -15.8739 0.0104 0.0104 0.0141 0.0141 0.7715 0.7715 0.7755 0.7755 0.9724 0.9724 0.9751 0.9751 1.6782 1.6782 1.6812 1.6812 2.2507 2.2507 2.2532 2.2532 3.6505 3.6505 3.6526 3.6526 4.9663 4.9663 4.9671 4.9671 5.1046 5.1046 5.1396 5.1396 5.5839 5.5839 5.6065 5.6065 7.0240 7.0240 7.0539 7.0539 8.0033 8.0033 8.0252 8.0252 13.3038 13.3038 13.3040 13.3040 17.6259 17.6259 17.6346 17.6346 k = 0.5000-0.0000 0.0290 ( 2852 PWs) bands (ev): -16.2306 -16.2306 -16.2306 -16.2306 -15.8751 -15.8751 -15.8745 -15.8745 0.0353 0.0353 0.0379 0.0379 0.7486 0.7486 0.7514 0.7514 0.9718 0.9718 0.9736 0.9736 1.6724 1.6724 1.6744 1.6744 2.2452 2.2452 2.2470 2.2470 3.6585 3.6585 3.6599 3.6599 4.9707 4.9707 4.9718 4.9718 5.1145 5.1145 5.1389 5.1389 5.5845 5.5845 5.6000 5.6000 7.0286 7.0286 7.0486 7.0486 8.0099 8.0099 8.0245 8.0245 13.2929 13.2929 13.2931 13.2931 17.6511 17.6511 17.6570 17.6570 k = 0.5000-0.0000 0.0145 ( 2854 PWs) bands (ev): -16.2304 -16.2304 -16.2304 -16.2304 -15.8752 -15.8752 -15.8749 -15.8749 0.0515 0.0515 0.0529 0.0529 0.7337 0.7337 0.7351 0.7351 0.9720 0.9720 0.9729 0.9729 1.6691 1.6691 1.6701 1.6701 2.2421 2.2421 2.2430 2.2430 3.6634 3.6634 3.6641 3.6641 4.9736 4.9736 4.9743 4.9743 5.1232 5.1232 5.1357 5.1357 5.5865 5.5865 5.5944 5.5944 7.0333 7.0333 7.0433 7.0433 8.0153 8.0153 8.0226 8.0226 13.2864 13.2864 13.2865 13.2865 17.6671 17.6671 17.6701 17.6701 k = 0.5000-0.0000-0.0000 ( 2856 PWs) bands (ev): -16.2304 -16.2304 -16.2304 -16.2304 -15.8752 -15.8752 -15.8752 -15.8752 0.0576 0.0576 0.0576 0.0576 0.7290 0.7290 0.7290 0.7290 0.9724 0.9724 0.9724 0.9724 1.6683 1.6683 1.6683 1.6683 2.2413 2.2413 2.2413 2.2413 3.6653 3.6653 3.6653 3.6653 4.9748 4.9748 4.9748 4.9748 5.1304 5.1304 5.1304 5.1304 5.5899 5.5899 5.5899 5.5899 7.0382 7.0382 7.0382 7.0382 8.0196 8.0196 8.0196 8.0196 13.2842 13.2842 13.2842 13.2842 17.6735 17.6735 17.6735 17.6735 k = 0.0000 0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2376 -16.2376 -16.2376 -16.2376 -15.8679 -15.8679 -15.8679 -15.8679 0.0505 0.0505 0.0505 0.0505 0.6847 0.6847 0.6847 0.6847 1.0351 1.0351 1.0351 1.0351 1.6378 1.6378 1.6378 1.6378 2.2775 2.2775 2.2775 2.2775 3.6415 3.6415 3.6415 3.6415 4.9733 4.9733 4.9733 4.9733 5.1380 5.1380 5.1380 5.1380 5.6061 5.6061 5.6061 5.6061 7.0642 7.0642 7.0642 7.0642 7.9774 7.9774 7.9774 7.9774 13.2460 13.2460 13.2460 13.2460 17.6670 17.6670 17.6670 17.6670 k = 0.0143-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2376 -16.2376 -16.2376 -16.2376 -15.8680 -15.8680 -15.8677 -15.8677 0.0435 0.0435 0.0476 0.0476 0.6853 0.6853 0.6921 0.6921 1.0356 1.0356 1.0367 1.0367 1.6378 1.6378 1.6400 1.6400 2.2774 2.2774 2.2797 2.2797 3.6400 3.6400 3.6402 3.6402 4.9709 4.9709 4.9741 4.9741 5.1352 5.1352 5.1390 5.1390 5.6047 5.6047 5.6085 5.6085 7.0594 7.0594 7.0691 7.0691 7.9735 7.9735 7.9803 7.9803 13.2481 13.2481 13.2482 13.2482 17.6622 17.6622 17.6628 17.6628 k = 0.0286-0.0000 0.4937 ( 2848 PWs) bands (ev): -16.2378 -16.2378 -16.2377 -16.2377 -15.8680 -15.8680 -15.8674 -15.8674 0.0272 0.0272 0.0350 0.0350 0.6937 0.6937 0.7067 0.7067 1.0385 1.0385 1.0406 1.0406 1.6401 1.6401 1.6444 1.6444 2.2795 2.2795 2.2841 2.2841 3.6355 3.6355 3.6360 3.6360 4.9669 4.9669 4.9734 4.9734 5.1306 5.1306 5.1380 5.1380 5.6043 5.6043 5.6119 5.6119 7.0546 7.0546 7.0741 7.0741 7.9686 7.9686 7.9821 7.9821 13.2544 13.2544 13.2545 13.2545 17.6487 17.6487 17.6498 17.6498 k = 0.0429-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2380 -16.2380 -16.2379 -16.2379 -15.8678 -15.8678 -15.8669 -15.8669 0.0032 0.0032 0.0140 0.0140 0.7081 0.7081 0.7265 0.7265 1.0444 1.0444 1.0473 1.0473 1.6446 1.6446 1.6510 1.6510 2.2838 2.2838 2.2906 2.2906 3.6283 3.6283 3.6289 3.6289 4.9613 4.9613 4.9711 4.9711 5.1244 5.1244 5.1352 5.1352 5.6051 5.6051 5.6161 5.6161 7.0501 7.0501 7.0791 7.0791 7.9629 7.9629 7.9831 7.9831 13.2650 13.2650 13.2651 13.2651 17.6266 17.6266 17.6282 17.6282 k = 0.0571-0.0000 0.4937 ( 2836 PWs) bands (ev): -16.2383 -16.2383 -16.2382 -16.2382 -15.8676 -15.8676 -15.8663 -15.8663 -0.0269 -0.0269 -0.0140 -0.0140 0.7265 0.7265 0.7490 0.7490 1.0541 1.0541 1.0574 1.0574 1.6513 1.6513 1.6598 1.6598 2.2903 2.2903 2.2992 2.2992 3.6183 3.6183 3.6191 3.6191 4.9540 4.9540 4.9672 4.9672 5.1167 5.1167 5.1304 5.1304 5.6068 5.6068 5.6213 5.6213 7.0455 7.0455 7.0841 7.0841 7.9563 7.9563 7.9832 7.9832 13.2797 13.2797 13.2799 13.2799 17.5965 17.5965 17.5986 17.5986 k = 0.0714-0.0000 0.4937 ( 2834 PWs) bands (ev): -16.2387 -16.2387 -16.2386 -16.2386 -15.8672 -15.8672 -15.8657 -15.8657 -0.0616 -0.0616 -0.0472 -0.0472 0.7461 0.7461 0.7716 0.7716 1.0686 1.0686 1.0718 1.0718 1.6602 1.6602 1.6708 1.6708 2.2988 2.2988 2.3098 2.3098 3.6056 3.6056 3.6066 3.6066 4.9447 4.9447 4.9615 4.9615 5.1077 5.1077 5.1238 5.1238 5.6097 5.6097 5.6272 5.6272 7.0409 7.0409 7.0890 7.0890 7.9490 7.9490 7.9825 7.9825 13.2985 13.2985 13.2987 13.2987 17.5588 17.5588 17.5613 17.5613 k = 0.0857-0.0000 0.4937 ( 2840 PWs) bands (ev): -16.2391 -16.2391 -16.2390 -16.2390 -15.8667 -15.8667 -15.8649 -15.8649 -0.0996 -0.0996 -0.0841 -0.0841 0.7646 0.7646 0.7917 0.7917 1.0889 1.0889 1.0913 1.0913 1.6712 1.6712 1.6840 1.6840 2.3094 2.3094 2.3224 2.3224 3.5904 3.5904 3.5914 3.5914 4.9335 4.9335 4.9541 4.9541 5.0975 5.0975 5.1154 5.1154 5.6135 5.6135 5.6338 5.6338 7.0362 7.0362 7.0935 7.0935 7.9409 7.9409 7.9811 7.9811 13.3213 13.3213 13.3216 13.3216 17.5142 17.5142 17.5171 17.5171 k = 0.1000-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2396 -16.2396 -16.2395 -16.2395 -15.8662 -15.8662 -15.8640 -15.8640 -0.1396 -0.1396 -0.1236 -0.1236 0.7804 0.7804 0.8078 0.8078 1.1158 1.1158 1.1165 1.1165 1.6845 1.6845 1.6994 1.6994 2.3219 2.3219 2.3369 2.3369 3.5728 3.5728 3.5739 3.5739 4.9202 4.9202 4.9447 4.9447 5.0862 5.0862 5.1054 5.1054 5.6183 5.6183 5.6411 5.6411 7.0314 7.0314 7.0977 7.0977 7.9325 7.9325 7.9792 7.9792 13.3481 13.3481 13.3483 13.3483 17.4634 17.4634 17.4667 17.4667 k = 0.1143-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2402 -16.2402 -16.2401 -16.2401 -15.8655 -15.8655 -15.8631 -15.8631 -0.1810 -0.1810 -0.1647 -0.1647 0.7925 0.7925 0.8193 0.8193 1.1473 1.1473 1.1489 1.1489 1.7000 1.7000 1.7171 1.7171 2.3364 2.3364 2.3532 2.3532 3.5529 3.5529 3.5540 3.5540 4.9048 4.9048 4.9335 4.9335 5.0741 5.0741 5.0939 5.0939 5.6240 5.6240 5.6490 5.6490 7.0264 7.0264 7.1014 7.1014 7.9237 7.9237 7.9768 7.9768 13.3787 13.3787 13.3789 13.3789 17.4070 17.4070 17.4106 17.4106 k = 0.1286-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2408 -16.2408 -16.2407 -16.2407 -15.8647 -15.8647 -15.8620 -15.8620 -0.2230 -0.2230 -0.2067 -0.2067 0.8007 0.8007 0.8263 0.8263 1.1833 1.1833 1.1873 1.1873 1.7177 1.7177 1.7369 1.7369 2.3527 2.3527 2.3712 2.3712 3.5310 3.5310 3.5319 3.5319 4.8872 4.8872 4.9203 4.9203 5.0613 5.0613 5.0810 5.0810 5.6306 5.6306 5.6575 5.6575 7.0210 7.0210 7.1045 7.1045 7.9149 7.9149 7.9742 7.9742 13.4130 13.4130 13.4132 13.4132 17.3456 17.3456 17.3495 17.3495 k = 0.1429-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2415 -16.2415 -16.2414 -16.2414 -15.8639 -15.8639 -15.8609 -15.8609 -0.2652 -0.2652 -0.2489 -0.2489 0.8052 0.8052 0.8295 0.8295 1.2234 1.2234 1.2298 1.2298 1.7377 1.7377 1.7590 1.7590 2.3708 2.3708 2.3909 2.3909 3.5071 3.5071 3.5078 3.5078 4.8676 4.8676 4.9051 4.9051 5.0477 5.0477 5.0669 5.0669 5.6379 5.6379 5.6664 5.6664 7.0153 7.0153 7.1067 7.1067 7.9062 7.9062 7.9715 7.9715 13.4509 13.4509 13.4511 13.4511 17.2800 17.2800 17.2841 17.2841 k = 0.1571-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2423 -16.2423 -16.2421 -16.2421 -15.8630 -15.8630 -15.8597 -15.8597 -0.3072 -0.3072 -0.2911 -0.2911 0.8068 0.8068 0.8298 0.8298 1.2665 1.2665 1.2751 1.2751 1.7598 1.7598 1.7834 1.7834 2.3906 2.3906 2.4121 2.4121 3.4815 3.4815 3.4820 3.4820 4.8459 4.8459 4.8879 4.8879 5.0333 5.0333 5.0515 5.0515 5.6459 5.6459 5.6757 5.6757 7.0091 7.0091 7.1081 7.1081 7.8977 7.8977 7.9688 7.9688 13.4922 13.4922 13.4924 13.4924 17.2105 17.2105 17.2148 17.2148 k = 0.1714-0.0000 0.4937 ( 2840 PWs) bands (ev): -16.2430 -16.2430 -16.2429 -16.2429 -15.8620 -15.8620 -15.8585 -15.8585 -0.3486 -0.3486 -0.3328 -0.3328 0.8061 0.8061 0.8279 0.8279 1.3118 1.3118 1.3221 1.3221 1.7841 1.7841 1.8100 1.8100 2.4119 2.4119 2.4347 2.4347 3.4543 3.4543 3.4545 3.4545 4.8224 4.8224 4.8689 4.8689 5.0183 5.0183 5.0350 5.0350 5.6545 5.6545 5.6853 5.6853 7.0024 7.0024 7.1085 7.1085 7.8897 7.8897 7.9662 7.9662 13.5369 13.5369 13.5370 13.5370 17.1377 17.1377 17.1423 17.1423 k = 0.1857-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2438 -16.2438 -16.2437 -16.2437 -15.8609 -15.8609 -15.8572 -15.8572 -0.3893 -0.3893 -0.3737 -0.3737 0.8035 0.8035 0.8244 0.8244 1.3581 1.3581 1.3699 1.3699 1.8105 1.8105 1.8388 1.8388 2.4347 2.4347 2.4585 2.4585 3.4255 3.4255 3.4259 3.4259 4.7970 4.7970 4.8481 4.8481 5.0025 5.0025 5.0175 5.0175 5.6634 5.6634 5.6951 5.6951 6.9951 6.9951 7.1079 7.1079 7.8823 7.8823 7.9639 7.9639 13.5847 13.5847 13.5848 13.5848 17.0621 17.0621 17.0669 17.0669 k = 0.2000-0.0000 0.4937 ( 2846 PWs) bands (ev): -16.2447 -16.2447 -16.2445 -16.2445 -15.8599 -15.8599 -15.8559 -15.8559 -0.4290 -0.4290 -0.4138 -0.4138 0.7996 0.7996 0.8196 0.8196 1.4050 1.4050 1.4178 1.4178 1.8390 1.8390 1.8697 1.8697 2.4589 2.4589 2.4834 2.4834 3.3954 3.3954 3.3964 3.3964 4.7701 4.7701 4.8256 4.8256 4.9860 4.9860 4.9989 4.9989 5.6727 5.6727 5.7050 5.7050 6.9873 6.9873 7.1060 7.1060 7.8757 7.8757 7.9618 7.9618 13.6355 13.6355 13.6356 13.6356 16.9841 16.9841 16.9890 16.9890 k = 0.2143-0.0000 0.4937 ( 2848 PWs) bands (ev): -16.2455 -16.2455 -16.2454 -16.2454 -15.8588 -15.8588 -15.8545 -15.8545 -0.4676 -0.4676 -0.4527 -0.4527 0.7947 0.7947 0.8140 0.8140 1.4517 1.4517 1.4654 1.4654 1.8695 1.8695 1.9025 1.9025 2.4843 2.4843 2.5093 2.5093 3.3643 3.3643 3.3660 3.3660 4.7417 4.7417 4.8017 4.8017 4.9687 4.9687 4.9793 4.9793 5.6822 5.6822 5.7150 5.7150 6.9790 6.9790 7.1031 7.1031 7.8699 7.8699 7.9602 7.9602 13.6891 13.6891 13.6894 13.6894 16.9040 16.9040 16.9091 16.9091 k = 0.2286-0.0000 0.4937 ( 2852 PWs) bands (ev): -16.2464 -16.2464 -16.2462 -16.2462 -15.8576 -15.8576 -15.8532 -15.8532 -0.5049 -0.5049 -0.4903 -0.4903 0.7890 0.7890 0.8078 0.8078 1.4980 1.4980 1.5122 1.5122 1.9018 1.9018 1.9371 1.9371 2.5108 2.5108 2.5358 2.5358 3.3325 3.3325 3.3351 3.3351 4.7121 4.7121 4.7765 4.7765 4.9506 4.9506 4.9589 4.9589 5.6918 5.6918 5.7249 5.7249 6.9702 6.9702 7.0990 7.0990 7.8651 7.8651 7.9591 7.9591 13.7454 13.7454 13.7459 13.7459 16.8221 16.8221 16.8273 16.8273 k = 0.2429-0.0000 0.4937 ( 2856 PWs) bands (ev): -16.2472 -16.2472 -16.2471 -16.2471 -15.8565 -15.8565 -15.8518 -15.8518 -0.5408 -0.5408 -0.5266 -0.5266 0.7829 0.7829 0.8012 0.8012 1.5433 1.5433 1.5580 1.5580 1.9356 1.9356 1.9732 1.9732 2.5382 2.5382 2.5629 2.5629 3.3002 3.3002 3.3040 3.3040 4.6814 4.6814 4.7502 4.7502 4.9318 4.9318 4.9375 4.9375 5.7014 5.7014 5.7347 5.7347 6.9610 6.9610 7.0938 7.0938 7.8612 7.8612 7.9584 7.9584 13.8044 13.8044 13.8050 13.8050 16.7387 16.7387 16.7441 16.7441 k = 0.2571-0.0000 0.4937 ( 2852 PWs) bands (ev): -16.2481 -16.2481 -16.2480 -16.2480 -15.8553 -15.8553 -15.8504 -15.8504 -0.5751 -0.5751 -0.5613 -0.5613 0.7765 0.7765 0.7945 0.7945 1.5878 1.5878 1.6027 1.6027 1.9707 1.9707 2.0103 2.0103 2.5662 2.5662 2.5901 2.5901 3.2679 3.2679 3.2731 3.2731 4.6499 4.6499 4.7231 4.7231 4.9124 4.9124 4.9154 4.9154 5.7109 5.7109 5.7443 5.7443 6.9514 6.9514 7.0877 7.0877 7.8584 7.8584 7.9582 7.9582 13.8657 13.8657 13.8665 13.8665 16.6540 16.6540 16.6595 16.6595 k = 0.2714-0.0000 0.4937 ( 2848 PWs) bands (ev): -16.2490 -16.2490 -16.2488 -16.2488 -15.8541 -15.8541 -15.8491 -15.8491 -0.6079 -0.6079 -0.5944 -0.5944 0.7700 0.7700 0.7876 0.7876 1.6311 1.6311 1.6462 1.6462 2.0065 2.0065 2.0480 2.0480 2.5947 2.5947 2.6171 2.6171 3.2358 3.2358 3.2428 3.2428 4.6177 4.6177 4.6954 4.6954 4.8924 4.8924 4.8926 4.8926 5.7202 5.7202 5.7537 5.7537 6.9417 6.9417 7.0808 7.0808 7.8565 7.8565 7.9585 7.9585 13.9293 13.9293 13.9303 13.9303 16.5684 16.5684 16.5740 16.5740 k = 0.2857-0.0000 0.4937 ( 2846 PWs) bands (ev): -16.2498 -16.2498 -16.2497 -16.2497 -15.8530 -15.8530 -15.8478 -15.8478 -0.6390 -0.6390 -0.6258 -0.6258 0.7634 0.7634 0.7808 0.7808 1.6733 1.6733 1.6886 1.6886 2.0428 2.0428 2.0858 2.0858 2.6232 2.6232 2.6434 2.6434 3.2045 3.2045 3.2136 3.2136 4.5851 4.5851 4.6672 4.6672 4.8691 4.8691 4.8720 4.8720 5.7292 5.7292 5.7627 5.7627 6.9317 6.9317 7.0731 7.0731 7.8554 7.8554 7.9592 7.9592 13.9951 13.9951 13.9963 13.9963 16.4818 16.4818 16.4875 16.4875 k = 0.3000-0.0000 0.4937 ( 2842 PWs) bands (ev): -16.2506 -16.2506 -16.2505 -16.2505 -15.8519 -15.8519 -15.8465 -15.8465 -0.6684 -0.6684 -0.6555 -0.6555 0.7569 0.7569 0.7741 0.7741 1.7145 1.7145 1.7300 1.7300 2.0788 2.0788 2.1231 2.1231 2.6512 2.6512 2.6683 2.6683 3.1746 3.1746 3.1864 3.1864 4.5521 4.5521 4.6389 4.6389 4.8453 4.8453 4.8512 4.8512 5.7379 5.7379 5.7713 5.7713 6.9218 6.9218 7.0650 7.0650 7.8552 7.8552 7.9603 7.9603 14.0630 14.0630 14.0644 14.0644 16.3946 16.3946 16.4004 16.4004 k = 0.3143-0.0000 0.4937 ( 2838 PWs) bands (ev): -16.2514 -16.2514 -16.2513 -16.2513 -15.8508 -15.8508 -15.8452 -15.8452 -0.6960 -0.6960 -0.6833 -0.6833 0.7506 0.7506 0.7676 0.7676 1.7547 1.7547 1.7704 1.7704 2.1142 2.1142 2.1593 2.1593 2.6779 2.6779 2.6909 2.6909 3.1469 3.1469 3.1618 3.1618 4.5191 4.5191 4.6105 4.6105 4.8212 4.8212 4.8301 4.8301 5.7461 5.7461 5.7794 5.7794 6.9120 6.9120 7.0565 7.0565 7.8557 7.8557 7.9618 7.9618 14.1327 14.1327 14.1343 14.1343 16.3069 16.3069 16.3127 16.3127 k = 0.3286-0.0000 0.4937 ( 2838 PWs) bands (ev): -16.2522 -16.2522 -16.2520 -16.2520 -15.8497 -15.8497 -15.8440 -15.8440 -0.7217 -0.7217 -0.7093 -0.7093 0.7445 0.7445 0.7614 0.7614 1.7939 1.7939 1.8099 1.8099 2.1482 2.1482 2.1939 2.1939 2.7023 2.7023 2.7103 2.7103 3.1224 3.1224 3.1411 3.1411 4.4861 4.4861 4.5824 4.5824 4.7970 4.7970 4.8091 4.8091 5.7539 5.7539 5.7871 5.7871 6.9024 6.9024 7.0479 7.0479 7.8566 7.8566 7.9635 7.9635 14.2042 14.2042 14.2060 14.2060 16.2187 16.2187 16.2246 16.2246 k = 0.3429-0.0000 0.4937 ( 2834 PWs) bands (ev): -16.2529 -16.2529 -16.2528 -16.2528 -15.8487 -15.8487 -15.8429 -15.8429 -0.7455 -0.7455 -0.7334 -0.7334 0.7387 0.7387 0.7555 0.7555 1.8323 1.8323 1.8486 1.8486 2.1804 2.1804 2.2261 2.2261 2.7233 2.7233 2.7253 2.7253 3.1023 3.1023 3.1252 3.1252 4.4535 4.4535 4.5547 4.5547 4.7730 4.7730 4.7883 4.7883 5.7611 5.7611 5.7942 5.7942 6.8931 6.8931 7.0392 7.0392 7.8581 7.8581 7.9654 7.9654 14.2773 14.2773 14.2794 14.2794 16.1303 16.1303 16.1363 16.1363 k = 0.3571-0.0000 0.4937 ( 2836 PWs) bands (ev): -16.2535 -16.2535 -16.2535 -16.2535 -15.8478 -15.8478 -15.8418 -15.8418 -0.7674 -0.7674 -0.7555 -0.7555 0.7333 0.7333 0.7500 0.7500 1.8698 1.8698 1.8865 1.8865 2.2102 2.2102 2.2556 2.2556 2.7350 2.7350 2.7394 2.7394 3.0882 3.0882 3.1153 3.1153 4.4214 4.4214 4.5277 4.5277 4.7494 4.7494 4.7680 4.7680 5.7677 5.7677 5.8007 5.8007 6.8843 6.8843 7.0308 7.0308 7.8598 7.8598 7.9674 7.9674 14.3521 14.3521 14.3544 14.3544 16.0417 16.0417 16.0477 16.0477 k = 0.3714-0.0000 0.4937 ( 2832 PWs) bands (ev): -16.2542 -16.2542 -16.2541 -16.2541 -15.8469 -15.8469 -15.8409 -15.8409 -0.7872 -0.7872 -0.7756 -0.7756 0.7283 0.7283 0.7450 0.7450 1.9065 1.9065 1.9236 1.9236 2.2370 2.2370 2.2816 2.2816 2.7389 2.7389 2.7494 2.7494 3.0811 3.0811 3.1116 3.1116 4.3904 4.3904 4.5017 4.5017 4.7267 4.7267 4.7484 4.7484 5.7738 5.7738 5.8066 5.8066 6.8761 6.8761 7.0227 7.0227 7.8618 7.8618 7.9695 7.9695 14.4282 14.4282 14.4307 14.4307 15.9530 15.9530 15.9591 15.9591 k = 0.3857-0.0000 0.4937 ( 2838 PWs) bands (ev): -16.2547 -16.2547 -16.2547 -16.2547 -15.8461 -15.8461 -15.8400 -15.8400 -0.8052 -0.8052 -0.7937 -0.7937 0.7237 0.7237 0.7403 0.7403 1.9421 1.9421 1.9598 1.9598 2.2602 2.2602 2.3037 2.3037 2.7373 2.7373 2.7530 2.7530 3.0814 3.0814 3.1141 3.1141 4.3605 4.3605 4.4769 4.4769 4.7051 4.7051 4.7298 4.7298 5.7792 5.7792 5.8118 5.8118 6.8684 6.8684 7.0151 7.0151 7.8639 7.8639 7.9716 7.9716 14.5057 14.5057 14.5085 14.5085 15.8644 15.8644 15.8704 15.8704 k = 0.4000-0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2552 -16.2552 -16.2552 -16.2552 -15.8454 -15.8454 -15.8392 -15.8392 -0.8211 -0.8211 -0.8097 -0.8097 0.7196 0.7196 0.7361 0.7361 1.9766 1.9766 1.9949 1.9949 2.2794 2.2794 2.3214 2.3214 2.7313 2.7313 2.7510 2.7510 3.0882 3.0882 3.1214 3.1214 4.3323 4.3323 4.4537 4.4537 4.6850 4.6850 4.7125 4.7125 5.7839 5.7839 5.8164 5.8164 6.8615 6.8615 7.0081 7.0081 7.8660 7.8660 7.9736 7.9736 14.5845 14.5845 14.5874 14.5874 15.7758 15.7758 15.7819 15.7819 k = 0.4143-0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2557 -16.2557 -16.2556 -16.2556 -15.8448 -15.8448 -15.8385 -15.8385 -0.8348 -0.8348 -0.8237 -0.8237 0.7159 0.7159 0.7324 0.7324 2.0096 2.0096 2.0287 2.0287 2.2943 2.2943 2.3344 2.3344 2.7225 2.7225 2.7450 2.7450 3.0998 3.0998 3.1321 3.1321 4.3063 4.3063 4.4324 4.4324 4.6667 4.6667 4.6968 4.6968 5.7881 5.7881 5.8205 5.8205 6.8554 6.8554 7.0018 7.0018 7.8679 7.8679 7.9755 7.9755 14.6644 14.6644 14.6675 14.6675 15.6875 15.6875 15.6935 15.6935 k = 0.4286-0.0000 0.4937 ( 2848 PWs) bands (ev): -16.2561 -16.2561 -16.2560 -16.2560 -15.8443 -15.8443 -15.8379 -15.8379 -0.8466 -0.8466 -0.8355 -0.8355 0.7128 0.7128 0.7293 0.7293 2.0408 2.0408 2.0606 2.0606 2.3045 2.3045 2.3425 2.3425 2.7127 2.7127 2.7371 2.7371 3.1138 3.1138 3.1443 3.1443 4.2828 4.2828 4.4134 4.4134 4.6505 4.6505 4.6829 4.6829 5.7916 5.7916 5.8239 5.8239 6.8501 6.8501 6.9964 6.9964 7.8698 7.8698 7.9771 7.9771 14.7453 14.7453 14.7486 14.7486 15.5994 15.5994 15.6055 15.6055 k = 0.4429-0.0000 0.4937 ( 2852 PWs) bands (ev): -16.2564 -16.2564 -16.2563 -16.2563 -15.8438 -15.8438 -15.8374 -15.8374 -0.8562 -0.8562 -0.8452 -0.8452 0.7102 0.7102 0.7267 0.7267 2.0694 2.0694 2.0901 2.0901 2.3102 2.3102 2.3459 2.3459 2.7031 2.7031 2.7291 2.7291 3.1283 3.1283 3.1565 3.1565 4.2625 4.2625 4.3972 4.3972 4.6367 4.6367 4.6712 4.6712 5.7944 5.7944 5.8267 5.8267 6.8457 6.8457 6.9918 6.9918 7.8713 7.8713 7.9785 7.9785 14.8272 14.8272 14.8306 14.8306 15.5117 15.5117 15.5178 15.5178 k = 0.4571-0.0000 0.4937 ( 2856 PWs) bands (ev): -16.2567 -16.2567 -16.2566 -16.2566 -15.8435 -15.8435 -15.8370 -15.8370 -0.8637 -0.8637 -0.8528 -0.8528 0.7082 0.7082 0.7247 0.7247 2.0944 2.0944 2.1161 2.1161 2.3120 2.3120 2.3455 2.3455 2.6950 2.6950 2.7220 2.7220 3.1414 3.1414 3.1675 3.1675 4.2460 4.2460 4.3840 4.3840 4.6258 4.6258 4.6618 4.6618 5.7967 5.7967 5.8288 5.8288 6.8423 6.8423 6.9882 6.9882 7.8726 7.8726 7.9796 7.9796 14.9100 14.9100 14.9134 14.9134 15.4244 15.4244 15.4306 15.4306 k = 0.4714-0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2568 -16.2568 -16.2568 -16.2568 -15.8432 -15.8432 -15.8367 -15.8367 -0.8690 -0.8690 -0.8582 -0.8582 0.7069 0.7069 0.7233 0.7233 2.1145 2.1145 2.1371 2.1371 2.3111 2.3111 2.3426 2.3426 2.6889 2.6889 2.7167 2.7167 3.1517 3.1517 3.1760 3.1760 4.2338 4.2338 4.3744 4.3744 4.6178 4.6178 4.6551 4.6551 5.7983 5.7983 5.8304 5.8304 6.8399 6.8399 6.9857 6.9857 7.8736 7.8736 7.9806 7.9806 14.9935 14.9935 14.9966 14.9966 15.3377 15.3377 15.3442 15.3442 k = 0.4857-0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2569 -16.2569 -16.2569 -16.2569 -15.8431 -15.8431 -15.8365 -15.8365 -0.8722 -0.8722 -0.8614 -0.8614 0.7060 0.7060 0.7224 0.7224 2.1277 2.1277 2.1511 2.1511 2.3093 2.3093 2.3394 2.3394 2.6851 2.6851 2.7135 2.7135 3.1583 3.1583 3.1815 3.1815 4.2263 4.2263 4.3685 4.3685 4.6129 4.6129 4.6509 4.6509 5.7992 5.7992 5.8313 5.8313 6.8384 6.8384 6.9841 6.9841 7.8742 7.8742 7.9811 7.9811 15.0771 15.0771 15.0791 15.0791 15.2521 15.2521 15.2598 15.2598 k = 0.5000-0.0000 0.4937 ( 2844 PWs) bands (ev): -16.2570 -16.2570 -16.2569 -16.2569 -15.8430 -15.8430 -15.8364 -15.8364 -0.8733 -0.8733 -0.8625 -0.8625 0.7057 0.7057 0.7221 0.7221 2.1324 2.1324 2.1561 2.1561 2.3085 2.3085 2.3380 2.3380 2.6839 2.6839 2.7124 2.7124 3.1606 3.1606 3.1833 3.1833 4.2237 4.2237 4.3664 4.3664 4.6113 4.6113 4.6495 4.6495 5.7996 5.7996 5.8317 5.8317 6.8379 6.8379 6.9836 6.9836 7.8744 7.8744 7.9813 7.9813 15.1407 15.1407 15.1461 15.1461 15.1825 15.1825 15.1976 15.1976 Writing output data file AgF2.save init_run : 0.22s CPU 0.34s WALL ( 1 calls) electrons : 114.26s CPU 116.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 114.25s CPU 116.32s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 346 calls) cegterg : 103.78s CPU 105.36s WALL ( 347 calls) Called by sum_band: Called by *egterg: h_psi : 60.12s CPU 61.10s WALL ( 5560 calls) s_psi : 3.02s CPU 3.17s WALL ( 5560 calls) g_psi : 0.12s CPU 0.15s WALL ( 4867 calls) cdiaghg : 37.59s CPU 38.46s WALL ( 5213 calls) cegterg:over : 4.65s CPU 4.48s WALL ( 4867 calls) cegterg:upda : 2.68s CPU 2.87s WALL ( 4867 calls) cegterg:last : 2.40s CPU 2.27s WALL ( 1039 calls) cdiaghg:chol : 1.97s CPU 2.14s WALL ( 5213 calls) cdiaghg:inve : 1.42s CPU 1.38s WALL ( 5213 calls) cdiaghg:para : 2.33s CPU 2.45s WALL ( 10426 calls) Called by h_psi: h_psi:vloc : 52.22s CPU 53.26s WALL ( 5560 calls) h_psi:vnl : 7.74s CPU 7.68s WALL ( 5560 calls) add_vuspsi : 3.84s CPU 3.80s WALL ( 5560 calls) General routines calbec : 3.90s CPU 3.87s WALL ( 5560 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.41s CPU 50.31s WALL ( 752500 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.18s WALL ( 692 calls) Parallel routines fft_scatter : 20.35s CPU 20.76s WALL ( 752523 calls) PWSCF : 2m10.50s CPU 2m23.64s WALL This run was terminated on: 18:21:17 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=