Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:21:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Rb2CrCl4.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 71 71 19 1833 1833 267 Max 72 72 20 1836 1836 269 Sum 5127 5127 1425 132037 132037 19313 bravais-lattice index = 14 lattice parameter (alat) = 16.2874 a.u. unit-cell volume = 1364.0090 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.287432 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.826362 celldm(5)= -0.826362 celldm(6)= 0.652724 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.652724 0.757595 0.000000 ) a(3) = ( -0.826362 -0.378798 0.416699 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.861574 1.199908 ) b(2) = ( 0.000000 1.319966 1.199908 ) b(3) = ( 0.000000 0.000000 2.399816 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Cr 14.00 51.99610 Cr( 1.00) Cl 7.00 35.45300 Cl( 1.00) Rb 9.00 85.46780 Rb( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0272706), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0545413), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0818119), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.1090825), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.1363532), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.1636238), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.1908944), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.2181651), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.2454357), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.2727063), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.2999770), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.3272476), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.3545182), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.3817889), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.4090595), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.4363301), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.4636008), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.4908714), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.5181420), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.5454127), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.5726833), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.5999539), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.6272246), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.6544952), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.6817658), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.7090365), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.7363071), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.7635777), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.7908484), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.8181190), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.8453896), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.8726603), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.8999309), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.9272016), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.9544722), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.9817428), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 1.0090135), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 1.0362841), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 1.0635547), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 1.0908253), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 1.1180960), wk = 0.0036101 k( 43) = ( 0.0000000 0.0000000 1.1453666), wk = 0.0036101 k( 44) = ( 0.0000000 0.0000000 1.1726372), wk = 0.0036101 k( 45) = ( 0.0000000 0.0000000 1.1999079), wk = 0.0036101 k( 46) = ( 0.0000000 0.0000000 1.1999079), wk = 0.0036101 k( 47) = ( -0.0105062 0.0229196 1.1999079), wk = 0.0036101 k( 48) = ( -0.0210123 0.0458392 1.1999079), wk = 0.0036101 k( 49) = ( -0.0315185 0.0687588 1.1999079), wk = 0.0036101 k( 50) = ( -0.0420246 0.0916784 1.1999079), wk = 0.0036101 k( 51) = ( -0.0525308 0.1145980 1.1999079), wk = 0.0036101 k( 52) = ( -0.0525308 0.1145980 1.1999079), wk = 0.0036101 k( 53) = ( -0.0605213 0.1320296 1.1807321), wk = 0.0036101 k( 54) = ( -0.0685118 0.1494612 1.1615563), wk = 0.0036101 k( 55) = ( -0.0765023 0.1668929 1.1423805), wk = 0.0036101 k( 56) = ( -0.0844929 0.1843245 1.1232048), wk = 0.0036101 k( 57) = ( -0.0924834 0.2017562 1.1040290), wk = 0.0036101 k( 58) = ( -0.1004739 0.2191878 1.0848532), wk = 0.0036101 k( 59) = ( -0.1084644 0.2366194 1.0656774), wk = 0.0036101 k( 60) = ( -0.1164549 0.2540511 1.0465016), wk = 0.0036101 k( 61) = ( -0.1244455 0.2714827 1.0273258), wk = 0.0036101 k( 62) = ( -0.1324360 0.2889144 1.0081501), wk = 0.0036101 k( 63) = ( -0.1404265 0.3063460 0.9889743), wk = 0.0036101 k( 64) = ( -0.1484170 0.3237777 0.9697985), wk = 0.0036101 k( 65) = ( -0.1564076 0.3412093 0.9506227), wk = 0.0036101 k( 66) = ( -0.1643981 0.3586409 0.9314469), wk = 0.0036101 k( 67) = ( -0.1723886 0.3760726 0.9122712), wk = 0.0036101 k( 68) = ( -0.1803791 0.3935042 0.8930954), wk = 0.0036101 k( 69) = ( -0.1883696 0.4109359 0.8739196), wk = 0.0036101 k( 70) = ( -0.1963602 0.4283675 0.8547438), wk = 0.0036101 k( 71) = ( -0.2043507 0.4457992 0.8355680), wk = 0.0036101 k( 72) = ( -0.2123412 0.4632308 0.8163923), wk = 0.0036101 k( 73) = ( -0.2203317 0.4806624 0.7972165), wk = 0.0036101 k( 74) = ( -0.2283223 0.4980941 0.7780407), wk = 0.0036101 k( 75) = ( -0.2363128 0.5155257 0.7588649), wk = 0.0036101 k( 76) = ( -0.2443033 0.5329574 0.7396891), wk = 0.0036101 k( 77) = ( -0.2522938 0.5503890 0.7205134), wk = 0.0036101 k( 78) = ( -0.2602843 0.5678206 0.7013376), wk = 0.0036101 k( 79) = ( -0.2682749 0.5852523 0.6821618), wk = 0.0036101 k( 80) = ( -0.2762654 0.6026839 0.6629860), wk = 0.0036101 k( 81) = ( -0.2762654 0.6026839 0.6629860), wk = 0.0036101 k( 82) = ( -0.2683721 0.5854644 0.6440436), wk = 0.0036101 k( 83) = ( -0.2604788 0.5682448 0.6251011), wk = 0.0036101 k( 84) = ( -0.2525855 0.5510253 0.6061586), wk = 0.0036101 k( 85) = ( -0.2446922 0.5338058 0.5872162), wk = 0.0036101 k( 86) = ( -0.2367989 0.5165862 0.5682737), wk = 0.0036101 k( 87) = ( -0.2289056 0.4993667 0.5493313), wk = 0.0036101 k( 88) = ( -0.2210123 0.4821471 0.5303888), wk = 0.0036101 k( 89) = ( -0.2131190 0.4649276 0.5114464), wk = 0.0036101 k( 90) = ( -0.2052257 0.4477080 0.4925039), wk = 0.0036101 k( 91) = ( -0.1973324 0.4304885 0.4735615), wk = 0.0036101 k( 92) = ( -0.1894391 0.4132690 0.4546190), wk = 0.0036101 k( 93) = ( -0.1815458 0.3960494 0.4356765), wk = 0.0036101 k( 94) = ( -0.1736525 0.3788299 0.4167341), wk = 0.0036101 k( 95) = ( -0.1657592 0.3616103 0.3977916), wk = 0.0036101 k( 96) = ( -0.1578659 0.3443908 0.3788491), wk = 0.0036101 k( 97) = ( -0.1499726 0.3271713 0.3599067), wk = 0.0036101 k( 98) = ( -0.1420793 0.3099517 0.3409642), wk = 0.0036101 k( 99) = ( -0.1341860 0.2927322 0.3220218), wk = 0.0036101 k( 100) = ( -0.1262928 0.2755127 0.3030793), wk = 0.0036101 k( 101) = ( -0.1183995 0.2582931 0.2841369), wk = 0.0036101 k( 102) = ( -0.1105061 0.2410736 0.2651944), wk = 0.0036101 k( 103) = ( -0.1026129 0.2238540 0.2462520), wk = 0.0036101 k( 104) = ( -0.0947196 0.2066345 0.2273095), wk = 0.0036101 k( 105) = ( -0.0868263 0.1894149 0.2083670), wk = 0.0036101 k( 106) = ( -0.0789330 0.1721954 0.1894246), wk = 0.0036101 k( 107) = ( -0.0710397 0.1549759 0.1704821), wk = 0.0036101 k( 108) = ( -0.0631464 0.1377563 0.1515397), wk = 0.0036101 k( 109) = ( -0.0552531 0.1205368 0.1325972), wk = 0.0036101 k( 110) = ( -0.0473598 0.1033172 0.1136547), wk = 0.0036101 k( 111) = ( -0.0394665 0.0860977 0.0947123), wk = 0.0036101 k( 112) = ( -0.0315732 0.0688782 0.0757698), wk = 0.0036101 k( 113) = ( -0.0236799 0.0516586 0.0568274), wk = 0.0036101 k( 114) = ( -0.0157866 0.0344391 0.0378849), wk = 0.0036101 k( 115) = ( -0.0078933 0.0172195 0.0189425), wk = 0.0036101 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 118) = ( 0.0238095 0.0109141 -0.0000000), wk = 0.0036101 k( 119) = ( 0.0476191 0.0218282 -0.0000000), wk = 0.0036101 k( 120) = ( 0.0714286 0.0327423 -0.0000000), wk = 0.0036101 k( 121) = ( 0.0952381 0.0436564 -0.0000000), wk = 0.0036101 k( 122) = ( 0.1190476 0.0545705 -0.0000000), wk = 0.0036101 k( 123) = ( 0.1428571 0.0654845 -0.0000000), wk = 0.0036101 k( 124) = ( 0.1666667 0.0763986 -0.0000000), wk = 0.0036101 k( 125) = ( 0.1904762 0.0873127 -0.0000000), wk = 0.0036101 k( 126) = ( 0.2142857 0.0982268 -0.0000000), wk = 0.0036101 k( 127) = ( 0.2380952 0.1091409 -0.0000000), wk = 0.0036101 k( 128) = ( 0.2619048 0.1200550 -0.0000000), wk = 0.0036101 k( 129) = ( 0.2857143 0.1309691 -0.0000000), wk = 0.0036101 k( 130) = ( 0.3095238 0.1418832 -0.0000000), wk = 0.0036101 k( 131) = ( 0.3333333 0.1527973 -0.0000000), wk = 0.0036101 k( 132) = ( 0.3571429 0.1637114 -0.0000000), wk = 0.0036101 k( 133) = ( 0.3809524 0.1746255 -0.0000000), wk = 0.0036101 k( 134) = ( 0.4047619 0.1855395 -0.0000000), wk = 0.0036101 k( 135) = ( 0.4285714 0.1964536 -0.0000000), wk = 0.0036101 k( 136) = ( 0.4523810 0.2073677 -0.0000000), wk = 0.0036101 k( 137) = ( 0.4761905 0.2182818 -0.0000000), wk = 0.0036101 k( 138) = ( 0.5000000 0.2291959 -0.0000000), wk = 0.0036101 k( 139) = ( 0.5000000 0.2291959 -0.0000000), wk = 0.0036101 k( 140) = ( 0.4920095 0.2466276 0.0191758), wk = 0.0036101 k( 141) = ( 0.4840190 0.2640592 0.0383516), wk = 0.0036101 k( 142) = ( 0.4760284 0.2814908 0.0575274), wk = 0.0036101 k( 143) = ( 0.4680379 0.2989225 0.0767031), wk = 0.0036101 k( 144) = ( 0.4600474 0.3163541 0.0958789), wk = 0.0036101 k( 145) = ( 0.4520569 0.3337858 0.1150547), wk = 0.0036101 k( 146) = ( 0.4440663 0.3512174 0.1342305), wk = 0.0036101 k( 147) = ( 0.4360758 0.3686491 0.1534063), wk = 0.0036101 k( 148) = ( 0.4280853 0.3860807 0.1725820), wk = 0.0036101 k( 149) = ( 0.4200948 0.4035123 0.1917578), wk = 0.0036101 k( 150) = ( 0.4121043 0.4209440 0.2109336), wk = 0.0036101 k( 151) = ( 0.4041137 0.4383756 0.2301094), wk = 0.0036101 k( 152) = ( 0.3961232 0.4558073 0.2492852), wk = 0.0036101 k( 153) = ( 0.3881327 0.4732389 0.2684609), wk = 0.0036101 k( 154) = ( 0.3801422 0.4906705 0.2876367), wk = 0.0036101 k( 155) = ( 0.3721517 0.5081022 0.3068125), wk = 0.0036101 k( 156) = ( 0.3641611 0.5255338 0.3259883), wk = 0.0036101 k( 157) = ( 0.3561706 0.5429655 0.3451641), wk = 0.0036101 k( 158) = ( 0.3481801 0.5603971 0.3643398), wk = 0.0036101 k( 159) = ( 0.3401896 0.5778287 0.3835156), wk = 0.0036101 k( 160) = ( 0.3321990 0.5952604 0.4026914), wk = 0.0036101 k( 161) = ( 0.3242085 0.6126920 0.4218672), wk = 0.0036101 k( 162) = ( 0.3162180 0.6301237 0.4410430), wk = 0.0036101 k( 163) = ( 0.3082275 0.6475553 0.4602187), wk = 0.0036101 k( 164) = ( 0.3002370 0.6649869 0.4793945), wk = 0.0036101 k( 165) = ( 0.2922464 0.6824186 0.4985703), wk = 0.0036101 k( 166) = ( 0.2842559 0.6998502 0.5177461), wk = 0.0036101 k( 167) = ( 0.2762654 0.7172819 0.5369219), wk = 0.0036101 k( 168) = ( 0.2762654 0.7172819 0.5369219), wk = 0.0036101 k( 169) = ( 0.2511504 0.7120729 0.5426521), wk = 0.0036101 k( 170) = ( 0.2260353 0.7068639 0.5483822), wk = 0.0036101 k( 171) = ( 0.2009203 0.7016549 0.5541124), wk = 0.0036101 k( 172) = ( 0.1758052 0.6964459 0.5598426), wk = 0.0036101 k( 173) = ( 0.1506902 0.6912369 0.5655728), wk = 0.0036101 k( 174) = ( 0.1255752 0.6860279 0.5713030), wk = 0.0036101 k( 175) = ( 0.1004601 0.6808189 0.5770332), wk = 0.0036101 k( 176) = ( 0.0753451 0.6756099 0.5827634), wk = 0.0036101 k( 177) = ( 0.0502301 0.6704009 0.5884936), wk = 0.0036101 k( 178) = ( 0.0251150 0.6651919 0.5942238), wk = 0.0036101 k( 179) = ( 0.0000000 0.6599829 0.5999539), wk = 0.0036101 k( 180) = ( 0.0000000 0.6599829 0.5999539), wk = 0.0036101 k( 181) = ( 0.0080645 0.6423898 0.6193073), wk = 0.0036101 k( 182) = ( 0.0161290 0.6247968 0.6386606), wk = 0.0036101 k( 183) = ( 0.0241936 0.6072037 0.6580140), wk = 0.0036101 k( 184) = ( 0.0322581 0.5896107 0.6773673), wk = 0.0036101 k( 185) = ( 0.0403226 0.5720176 0.6967207), wk = 0.0036101 k( 186) = ( 0.0483871 0.5544245 0.7160741), wk = 0.0036101 k( 187) = ( 0.0564516 0.5368315 0.7354274), wk = 0.0036101 k( 188) = ( 0.0645161 0.5192384 0.7547808), wk = 0.0036101 k( 189) = ( 0.0725806 0.5016453 0.7741341), wk = 0.0036101 k( 190) = ( 0.0806452 0.4840523 0.7934875), wk = 0.0036101 k( 191) = ( 0.0887097 0.4664592 0.8128408), wk = 0.0036101 k( 192) = ( 0.0967742 0.4488662 0.8321942), wk = 0.0036101 k( 193) = ( 0.1048387 0.4312731 0.8515475), wk = 0.0036101 k( 194) = ( 0.1129032 0.4136800 0.8709009), wk = 0.0036101 k( 195) = ( 0.1209677 0.3960870 0.8902542), wk = 0.0036101 k( 196) = ( 0.1290323 0.3784939 0.9096076), wk = 0.0036101 k( 197) = ( 0.1370968 0.3609008 0.9289609), wk = 0.0036101 k( 198) = ( 0.1451613 0.3433078 0.9483143), wk = 0.0036101 k( 199) = ( 0.1532258 0.3257147 0.9676677), wk = 0.0036101 k( 200) = ( 0.1612903 0.3081217 0.9870210), wk = 0.0036101 k( 201) = ( 0.1693548 0.2905286 1.0063744), wk = 0.0036101 k( 202) = ( 0.1774194 0.2729355 1.0257277), wk = 0.0036101 k( 203) = ( 0.1854839 0.2553425 1.0450811), wk = 0.0036101 k( 204) = ( 0.1935484 0.2377494 1.0644344), wk = 0.0036101 k( 205) = ( 0.2016129 0.2201563 1.0837878), wk = 0.0036101 k( 206) = ( 0.2096774 0.2025633 1.1031411), wk = 0.0036101 k( 207) = ( 0.2177419 0.1849702 1.1224945), wk = 0.0036101 k( 208) = ( 0.2258064 0.1673771 1.1418478), wk = 0.0036101 k( 209) = ( 0.2338710 0.1497841 1.1612012), wk = 0.0036101 k( 210) = ( 0.2419355 0.1321910 1.1805545), wk = 0.0036101 k( 211) = ( 0.2500000 0.1145980 1.1999079), wk = 0.0036101 k( 212) = ( 0.2500000 0.1145980 1.1999079), wk = 0.0036101 k( 213) = ( 0.2708333 0.1241478 1.1894025), wk = 0.0036101 k( 214) = ( 0.2916667 0.1336976 1.1788972), wk = 0.0036101 k( 215) = ( 0.3125000 0.1432474 1.1683918), wk = 0.0036101 k( 216) = ( 0.3333333 0.1527973 1.1578865), wk = 0.0036101 k( 217) = ( 0.3541667 0.1623471 1.1473811), wk = 0.0036101 k( 218) = ( 0.3750000 0.1718969 1.1368758), wk = 0.0036101 k( 219) = ( 0.3958333 0.1814468 1.1263704), wk = 0.0036101 k( 220) = ( 0.4166667 0.1909966 1.1158651), wk = 0.0036101 k( 221) = ( 0.4375000 0.2005464 1.1053597), wk = 0.0036101 k( 222) = ( 0.4583333 0.2100963 1.0948544), wk = 0.0036101 k( 223) = ( 0.4791667 0.2196461 1.0843491), wk = 0.0036101 k( 224) = ( 0.5000000 0.2291959 1.0738437), wk = 0.0036101 k( 225) = ( 0.5000000 0.2291959 1.0738437), wk = 0.0036101 k( 226) = ( 0.5000000 0.2291959 1.0469976), wk = 0.0036101 k( 227) = ( 0.5000000 0.2291959 1.0201515), wk = 0.0036101 k( 228) = ( 0.5000000 0.2291959 0.9933054), wk = 0.0036101 k( 229) = ( 0.5000000 0.2291959 0.9664593), wk = 0.0036101 k( 230) = ( 0.5000000 0.2291959 0.9396133), wk = 0.0036101 k( 231) = ( 0.5000000 0.2291959 0.9127672), wk = 0.0036101 k( 232) = ( 0.5000000 0.2291959 0.8859211), wk = 0.0036101 k( 233) = ( 0.5000000 0.2291959 0.8590750), wk = 0.0036101 k( 234) = ( 0.5000000 0.2291959 0.8322289), wk = 0.0036101 k( 235) = ( 0.5000000 0.2291959 0.8053828), wk = 0.0036101 k( 236) = ( 0.5000000 0.2291959 0.7785367), wk = 0.0036101 k( 237) = ( 0.5000000 0.2291959 0.7516906), wk = 0.0036101 k( 238) = ( 0.5000000 0.2291959 0.7248445), wk = 0.0036101 k( 239) = ( 0.5000000 0.2291959 0.6979984), wk = 0.0036101 k( 240) = ( 0.5000000 0.2291959 0.6711523), wk = 0.0036101 k( 241) = ( 0.5000000 0.2291959 0.6443062), wk = 0.0036101 k( 242) = ( 0.5000000 0.2291959 0.6174601), wk = 0.0036101 k( 243) = ( 0.5000000 0.2291959 0.5906140), wk = 0.0036101 k( 244) = ( 0.5000000 0.2291959 0.5637680), wk = 0.0036101 k( 245) = ( 0.5000000 0.2291959 0.5369219), wk = 0.0036101 k( 246) = ( 0.5000000 0.2291959 0.5100758), wk = 0.0036101 k( 247) = ( 0.5000000 0.2291959 0.4832297), wk = 0.0036101 k( 248) = ( 0.5000000 0.2291959 0.4563836), wk = 0.0036101 k( 249) = ( 0.5000000 0.2291959 0.4295375), wk = 0.0036101 k( 250) = ( 0.5000000 0.2291959 0.4026914), wk = 0.0036101 k( 251) = ( 0.5000000 0.2291959 0.3758453), wk = 0.0036101 k( 252) = ( 0.5000000 0.2291959 0.3489992), wk = 0.0036101 k( 253) = ( 0.5000000 0.2291959 0.3221531), wk = 0.0036101 k( 254) = ( 0.5000000 0.2291959 0.2953070), wk = 0.0036101 k( 255) = ( 0.5000000 0.2291959 0.2684609), wk = 0.0036101 k( 256) = ( 0.5000000 0.2291959 0.2416148), wk = 0.0036101 k( 257) = ( 0.5000000 0.2291959 0.2147688), wk = 0.0036101 k( 258) = ( 0.5000000 0.2291959 0.1879227), wk = 0.0036101 k( 259) = ( 0.5000000 0.2291959 0.1610765), wk = 0.0036101 k( 260) = ( 0.5000000 0.2291959 0.1342305), wk = 0.0036101 k( 261) = ( 0.5000000 0.2291959 0.1073844), wk = 0.0036101 k( 262) = ( 0.5000000 0.2291959 0.0805383), wk = 0.0036101 k( 263) = ( 0.5000000 0.2291959 0.0536922), wk = 0.0036101 k( 264) = ( 0.5000000 0.2291959 0.0268461), wk = 0.0036101 k( 265) = ( 0.5000000 0.2291959 -0.0000000), wk = 0.0036101 k( 266) = ( 0.0000000 0.0000000 1.1999079), wk = 0.0036101 k( 267) = ( 0.0227273 0.0104180 1.1999079), wk = 0.0036101 k( 268) = ( 0.0454546 0.0208360 1.1999079), wk = 0.0036101 k( 269) = ( 0.0681818 0.0312540 1.1999079), wk = 0.0036101 k( 270) = ( 0.0909091 0.0416720 1.1999079), wk = 0.0036101 k( 271) = ( 0.1136364 0.0520900 1.1999079), wk = 0.0036101 k( 272) = ( 0.1363636 0.0625080 1.1999079), wk = 0.0036101 k( 273) = ( 0.1590909 0.0729260 1.1999079), wk = 0.0036101 k( 274) = ( 0.1818182 0.0833440 1.1999079), wk = 0.0036101 k( 275) = ( 0.2045454 0.0937620 1.1999079), wk = 0.0036101 k( 276) = ( 0.2272727 0.1041800 1.1999079), wk = 0.0036101 k( 277) = ( 0.2500000 0.1145980 1.1999079), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0036101 k( 43) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0036101 k( 44) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0036101 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 47) = ( -0.0105062 0.0105062 0.5000000), wk = 0.0036101 k( 48) = ( -0.0210123 0.0210123 0.5000000), wk = 0.0036101 k( 49) = ( -0.0315185 0.0315185 0.5000000), wk = 0.0036101 k( 50) = ( -0.0420246 0.0420246 0.5000000), wk = 0.0036101 k( 51) = ( -0.0525308 0.0525308 0.5000000), wk = 0.0036101 k( 52) = ( -0.0525308 0.0525308 0.5000000), wk = 0.0036101 k( 53) = ( -0.0605213 0.0605213 0.4920095), wk = 0.0036101 k( 54) = ( -0.0685118 0.0685118 0.4840190), wk = 0.0036101 k( 55) = ( -0.0765023 0.0765023 0.4760284), wk = 0.0036101 k( 56) = ( -0.0844929 0.0844929 0.4680379), wk = 0.0036101 k( 57) = ( -0.0924834 0.0924834 0.4600474), wk = 0.0036101 k( 58) = ( -0.1004739 0.1004739 0.4520569), wk = 0.0036101 k( 59) = ( -0.1084644 0.1084644 0.4440663), wk = 0.0036101 k( 60) = ( -0.1164549 0.1164549 0.4360758), wk = 0.0036101 k( 61) = ( -0.1244455 0.1244455 0.4280853), wk = 0.0036101 k( 62) = ( -0.1324360 0.1324360 0.4200948), wk = 0.0036101 k( 63) = ( -0.1404265 0.1404265 0.4121043), wk = 0.0036101 k( 64) = ( -0.1484170 0.1484170 0.4041137), wk = 0.0036101 k( 65) = ( -0.1564076 0.1564075 0.3961232), wk = 0.0036101 k( 66) = ( -0.1643981 0.1643981 0.3881327), wk = 0.0036101 k( 67) = ( -0.1723886 0.1723886 0.3801422), wk = 0.0036101 k( 68) = ( -0.1803791 0.1803791 0.3721517), wk = 0.0036101 k( 69) = ( -0.1883696 0.1883696 0.3641611), wk = 0.0036101 k( 70) = ( -0.1963602 0.1963602 0.3561706), wk = 0.0036101 k( 71) = ( -0.2043507 0.2043507 0.3481801), wk = 0.0036101 k( 72) = ( -0.2123412 0.2123412 0.3401896), wk = 0.0036101 k( 73) = ( -0.2203317 0.2203317 0.3321990), wk = 0.0036101 k( 74) = ( -0.2283223 0.2283223 0.3242085), wk = 0.0036101 k( 75) = ( -0.2363128 0.2363128 0.3162180), wk = 0.0036101 k( 76) = ( -0.2443033 0.2443033 0.3082275), wk = 0.0036101 k( 77) = ( -0.2522938 0.2522938 0.3002370), wk = 0.0036101 k( 78) = ( -0.2602843 0.2602843 0.2922464), wk = 0.0036101 k( 79) = ( -0.2682749 0.2682749 0.2842559), wk = 0.0036101 k( 80) = ( -0.2762654 0.2762654 0.2762654), wk = 0.0036101 k( 81) = ( -0.2762654 0.2762654 0.2762654), wk = 0.0036101 k( 82) = ( -0.2683721 0.2683721 0.2683721), wk = 0.0036101 k( 83) = ( -0.2604788 0.2604788 0.2604788), wk = 0.0036101 k( 84) = ( -0.2525855 0.2525855 0.2525855), wk = 0.0036101 k( 85) = ( -0.2446922 0.2446922 0.2446922), wk = 0.0036101 k( 86) = ( -0.2367989 0.2367989 0.2367989), wk = 0.0036101 k( 87) = ( -0.2289056 0.2289056 0.2289056), wk = 0.0036101 k( 88) = ( -0.2210123 0.2210123 0.2210123), wk = 0.0036101 k( 89) = ( -0.2131190 0.2131190 0.2131190), wk = 0.0036101 k( 90) = ( -0.2052257 0.2052257 0.2052257), wk = 0.0036101 k( 91) = ( -0.1973324 0.1973324 0.1973324), wk = 0.0036101 k( 92) = ( -0.1894391 0.1894391 0.1894391), wk = 0.0036101 k( 93) = ( -0.1815458 0.1815458 0.1815458), wk = 0.0036101 k( 94) = ( -0.1736525 0.1736525 0.1736525), wk = 0.0036101 k( 95) = ( -0.1657592 0.1657592 0.1657592), wk = 0.0036101 k( 96) = ( -0.1578659 0.1578659 0.1578659), wk = 0.0036101 k( 97) = ( -0.1499726 0.1499726 0.1499726), wk = 0.0036101 k( 98) = ( -0.1420793 0.1420793 0.1420793), wk = 0.0036101 k( 99) = ( -0.1341860 0.1341860 0.1341860), wk = 0.0036101 k( 100) = ( -0.1262928 0.1262927 0.1262928), wk = 0.0036101 k( 101) = ( -0.1183995 0.1183995 0.1183995), wk = 0.0036101 k( 102) = ( -0.1105061 0.1105061 0.1105061), wk = 0.0036101 k( 103) = ( -0.1026129 0.1026129 0.1026129), wk = 0.0036101 k( 104) = ( -0.0947196 0.0947196 0.0947196), wk = 0.0036101 k( 105) = ( -0.0868263 0.0868263 0.0868263), wk = 0.0036101 k( 106) = ( -0.0789330 0.0789330 0.0789330), wk = 0.0036101 k( 107) = ( -0.0710397 0.0710397 0.0710397), wk = 0.0036101 k( 108) = ( -0.0631464 0.0631464 0.0631464), wk = 0.0036101 k( 109) = ( -0.0552531 0.0552531 0.0552531), wk = 0.0036101 k( 110) = ( -0.0473598 0.0473598 0.0473598), wk = 0.0036101 k( 111) = ( -0.0394665 0.0394665 0.0394665), wk = 0.0036101 k( 112) = ( -0.0315732 0.0315732 0.0315732), wk = 0.0036101 k( 113) = ( -0.0236799 0.0236799 0.0236799), wk = 0.0036101 k( 114) = ( -0.0157866 0.0157866 0.0157866), wk = 0.0036101 k( 115) = ( -0.0078933 0.0078933 0.0078933), wk = 0.0036101 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 118) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0036101 k( 119) = ( 0.0476191 0.0476190 -0.0476191), wk = 0.0036101 k( 120) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0036101 k( 121) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0036101 k( 122) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0036101 k( 123) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0036101 k( 124) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036101 k( 125) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0036101 k( 126) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0036101 k( 127) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0036101 k( 128) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0036101 k( 129) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0036101 k( 130) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0036101 k( 131) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036101 k( 132) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0036101 k( 133) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0036101 k( 134) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0036101 k( 135) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0036101 k( 136) = ( 0.4523810 0.4523810 -0.4523810), wk = 0.0036101 k( 137) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0036101 k( 138) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 140) = ( 0.4920095 0.5079905 -0.4920095), wk = 0.0036101 k( 141) = ( 0.4840190 0.5159810 -0.4840190), wk = 0.0036101 k( 142) = ( 0.4760284 0.5239716 -0.4760284), wk = 0.0036101 k( 143) = ( 0.4680379 0.5319621 -0.4680379), wk = 0.0036101 k( 144) = ( 0.4600474 0.5399526 -0.4600474), wk = 0.0036101 k( 145) = ( 0.4520569 0.5479431 -0.4520569), wk = 0.0036101 k( 146) = ( 0.4440663 0.5559336 -0.4440664), wk = 0.0036101 k( 147) = ( 0.4360758 0.5639242 -0.4360758), wk = 0.0036101 k( 148) = ( 0.4280853 0.5719147 -0.4280853), wk = 0.0036101 k( 149) = ( 0.4200948 0.5799052 -0.4200948), wk = 0.0036101 k( 150) = ( 0.4121043 0.5878957 -0.4121043), wk = 0.0036101 k( 151) = ( 0.4041137 0.5958863 -0.4041137), wk = 0.0036101 k( 152) = ( 0.3961232 0.6038768 -0.3961232), wk = 0.0036101 k( 153) = ( 0.3881327 0.6118673 -0.3881327), wk = 0.0036101 k( 154) = ( 0.3801422 0.6198578 -0.3801422), wk = 0.0036101 k( 155) = ( 0.3721517 0.6278484 -0.3721517), wk = 0.0036101 k( 156) = ( 0.3641611 0.6358389 -0.3641611), wk = 0.0036101 k( 157) = ( 0.3561706 0.6438294 -0.3561706), wk = 0.0036101 k( 158) = ( 0.3481801 0.6518199 -0.3481801), wk = 0.0036101 k( 159) = ( 0.3401896 0.6598104 -0.3401896), wk = 0.0036101 k( 160) = ( 0.3321990 0.6678010 -0.3321990), wk = 0.0036101 k( 161) = ( 0.3242085 0.6757915 -0.3242085), wk = 0.0036101 k( 162) = ( 0.3162180 0.6837820 -0.3162180), wk = 0.0036101 k( 163) = ( 0.3082275 0.6917725 -0.3082275), wk = 0.0036101 k( 164) = ( 0.3002370 0.6997631 -0.3002370), wk = 0.0036101 k( 165) = ( 0.2922464 0.7077536 -0.2922464), wk = 0.0036101 k( 166) = ( 0.2842559 0.7157441 -0.2842559), wk = 0.0036101 k( 167) = ( 0.2762654 0.7237346 -0.2762654), wk = 0.0036101 k( 168) = ( 0.2762654 0.7237346 -0.2762654), wk = 0.0036101 k( 169) = ( 0.2511504 0.7033951 -0.2511504), wk = 0.0036101 k( 170) = ( 0.2260353 0.6830556 -0.2260353), wk = 0.0036101 k( 171) = ( 0.2009203 0.6627161 -0.2009203), wk = 0.0036101 k( 172) = ( 0.1758052 0.6423766 -0.1758052), wk = 0.0036101 k( 173) = ( 0.1506902 0.6220371 -0.1506902), wk = 0.0036101 k( 174) = ( 0.1255752 0.6016976 -0.1255752), wk = 0.0036101 k( 175) = ( 0.1004601 0.5813580 -0.1004601), wk = 0.0036101 k( 176) = ( 0.0753451 0.5610185 -0.0753451), wk = 0.0036101 k( 177) = ( 0.0502301 0.5406790 -0.0502301), wk = 0.0036101 k( 178) = ( 0.0251150 0.5203395 -0.0251150), wk = 0.0036101 k( 179) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036101 k( 180) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036101 k( 181) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0036101 k( 182) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0036101 k( 183) = ( 0.0241936 0.4758064 0.0241935), wk = 0.0036101 k( 184) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0036101 k( 185) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0036101 k( 186) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0036101 k( 187) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0036101 k( 188) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0036101 k( 189) = ( 0.0725806 0.4274194 0.0725806), wk = 0.0036101 k( 190) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0036101 k( 191) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0036101 k( 192) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0036101 k( 193) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0036101 k( 194) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0036101 k( 195) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0036101 k( 196) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0036101 k( 197) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0036101 k( 198) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0036101 k( 199) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0036101 k( 200) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0036101 k( 201) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0036101 k( 202) = ( 0.1774194 0.3225807 0.1774193), wk = 0.0036101 k( 203) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0036101 k( 204) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0036101 k( 205) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0036101 k( 206) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0036101 k( 207) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0036101 k( 208) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0036101 k( 209) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0036101 k( 210) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0036101 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 213) = ( 0.2708333 0.2708333 0.2247891), wk = 0.0036101 k( 214) = ( 0.2916667 0.2916667 0.1995782), wk = 0.0036101 k( 215) = ( 0.3125000 0.3125000 0.1743673), wk = 0.0036101 k( 216) = ( 0.3333333 0.3333333 0.1491564), wk = 0.0036101 k( 217) = ( 0.3541667 0.3541667 0.1239455), wk = 0.0036101 k( 218) = ( 0.3750000 0.3750000 0.0987346), wk = 0.0036101 k( 219) = ( 0.3958333 0.3958333 0.0735237), wk = 0.0036101 k( 220) = ( 0.4166667 0.4166667 0.0483128), wk = 0.0036101 k( 221) = ( 0.4375000 0.4375000 0.0231019), wk = 0.0036101 k( 222) = ( 0.4583333 0.4583333 -0.0021090), wk = 0.0036101 k( 223) = ( 0.4791667 0.4791667 -0.0273199), wk = 0.0036101 k( 224) = ( 0.5000000 0.5000000 -0.0525308), wk = 0.0036101 k( 225) = ( 0.5000000 0.5000000 -0.0525308), wk = 0.0036101 k( 226) = ( 0.5000000 0.5000000 -0.0637175), wk = 0.0036101 k( 227) = ( 0.5000000 0.5000000 -0.0749042), wk = 0.0036101 k( 228) = ( 0.5000000 0.5000000 -0.0860910), wk = 0.0036101 k( 229) = ( 0.5000000 0.5000000 -0.0972777), wk = 0.0036101 k( 230) = ( 0.5000000 0.5000000 -0.1084644), wk = 0.0036101 k( 231) = ( 0.5000000 0.5000000 -0.1196512), wk = 0.0036101 k( 232) = ( 0.5000000 0.5000000 -0.1308379), wk = 0.0036101 k( 233) = ( 0.5000000 0.5000000 -0.1420246), wk = 0.0036101 k( 234) = ( 0.5000000 0.5000000 -0.1532114), wk = 0.0036101 k( 235) = ( 0.5000000 0.5000000 -0.1643981), wk = 0.0036101 k( 236) = ( 0.5000000 0.5000000 -0.1755848), wk = 0.0036101 k( 237) = ( 0.5000000 0.5000000 -0.1867715), wk = 0.0036101 k( 238) = ( 0.5000000 0.5000000 -0.1979583), wk = 0.0036101 k( 239) = ( 0.5000000 0.5000000 -0.2091450), wk = 0.0036101 k( 240) = ( 0.5000000 0.5000000 -0.2203317), wk = 0.0036101 k( 241) = ( 0.5000000 0.5000000 -0.2315185), wk = 0.0036101 k( 242) = ( 0.5000000 0.5000000 -0.2427052), wk = 0.0036101 k( 243) = ( 0.5000000 0.5000000 -0.2538919), wk = 0.0036101 k( 244) = ( 0.5000000 0.5000000 -0.2650787), wk = 0.0036101 k( 245) = ( 0.5000000 0.5000000 -0.2762654), wk = 0.0036101 k( 246) = ( 0.5000000 0.5000000 -0.2874521), wk = 0.0036101 k( 247) = ( 0.5000000 0.5000000 -0.2986389), wk = 0.0036101 k( 248) = ( 0.5000000 0.5000000 -0.3098256), wk = 0.0036101 k( 249) = ( 0.5000000 0.5000000 -0.3210123), wk = 0.0036101 k( 250) = ( 0.5000000 0.5000000 -0.3321990), wk = 0.0036101 k( 251) = ( 0.5000000 0.5000000 -0.3433858), wk = 0.0036101 k( 252) = ( 0.5000000 0.5000000 -0.3545725), wk = 0.0036101 k( 253) = ( 0.5000000 0.5000000 -0.3657592), wk = 0.0036101 k( 254) = ( 0.5000000 0.5000000 -0.3769460), wk = 0.0036101 k( 255) = ( 0.5000000 0.5000000 -0.3881327), wk = 0.0036101 k( 256) = ( 0.5000000 0.5000000 -0.3993194), wk = 0.0036101 k( 257) = ( 0.5000000 0.5000000 -0.4105062), wk = 0.0036101 k( 258) = ( 0.5000000 0.5000000 -0.4216929), wk = 0.0036101 k( 259) = ( 0.5000000 0.5000000 -0.4328796), wk = 0.0036101 k( 260) = ( 0.5000000 0.5000000 -0.4440664), wk = 0.0036101 k( 261) = ( 0.5000000 0.5000000 -0.4552531), wk = 0.0036101 k( 262) = ( 0.5000000 0.5000000 -0.4664398), wk = 0.0036101 k( 263) = ( 0.5000000 0.5000000 -0.4776265), wk = 0.0036101 k( 264) = ( 0.5000000 0.5000000 -0.4888133), wk = 0.0036101 k( 265) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 267) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0036101 k( 268) = ( 0.0454546 0.0454546 0.4545455), wk = 0.0036101 k( 269) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0036101 k( 270) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0036101 k( 271) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0036101 k( 272) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0036101 k( 273) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0036101 k( 274) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0036101 k( 275) = ( 0.2045454 0.2045455 0.2954545), wk = 0.0036101 k( 276) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0036101 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 Dense grid: 132037 G-vectors FFT dimensions: ( 96, 96, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 476, 72) NL pseudopotentials 0.86 Mb ( 238, 238) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.01 Mb ( 1834) G-vector shells 0.01 Mb ( 860) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.09 Mb ( 476, 288) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.52 Mb ( 238, 2, 72) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Rb2CrCl4.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 total cpu time spent up to now is 8.0 secs Computing kpt #: 3 total cpu time spent up to now is 10.7 secs Computing kpt #: 4 total cpu time spent up to now is 13.1 secs Computing kpt #: 5 total cpu time spent up to now is 15.8 secs Computing kpt #: 6 total cpu time spent up to now is 18.1 secs Computing kpt #: 7 total cpu time spent up to now is 21.9 secs Computing kpt #: 8 total cpu time spent up to now is 24.3 secs Computing kpt #: 9 total cpu time spent up to now is 26.6 secs Computing kpt #: 10 total cpu time spent up to now is 28.9 secs Computing kpt #: 11 total cpu time spent up to now is 31.1 secs Computing kpt #: 12 total cpu time spent up to now is 33.3 secs Computing kpt #: 13 total cpu time spent up to now is 35.5 secs Computing kpt #: 14 total cpu time spent up to now is 37.7 secs Computing kpt #: 15 total cpu time spent up to now is 40.0 secs Computing kpt #: 16 total cpu time spent up to now is 42.2 secs Computing kpt #: 17 total cpu time spent up to now is 44.5 secs Computing kpt #: 18 total cpu time spent up to now is 46.7 secs Computing kpt #: 19 total cpu time spent up to now is 48.9 secs Computing kpt #: 20 total cpu time spent up to now is 51.1 secs Computing kpt #: 21 total cpu time spent up to now is 53.3 secs Computing kpt #: 22 total cpu time spent up to now is 55.6 secs Computing kpt #: 23 total cpu time spent up to now is 57.8 secs Computing kpt #: 24 total cpu time spent up to now is 59.9 secs Computing kpt #: 25 total cpu time spent up to now is 62.2 secs Computing kpt #: 26 total cpu time spent up to now is 64.4 secs Computing kpt #: 27 total cpu time spent up to now is 66.6 secs Computing kpt #: 28 total cpu time spent up to now is 68.8 secs Computing kpt #: 29 total cpu time spent up to now is 71.0 secs Computing kpt #: 30 total cpu time spent up to now is 73.2 secs Computing kpt #: 31 total cpu time spent up to now is 75.4 secs Computing kpt #: 32 total cpu time spent up to now is 77.8 secs Computing kpt #: 33 total cpu time spent up to now is 80.1 secs Computing kpt #: 34 total cpu time spent up to now is 82.4 secs Computing kpt #: 35 total cpu time spent up to now is 84.7 secs Computing kpt #: 36 total cpu time spent up to now is 87.0 secs Computing kpt #: 37 total cpu time spent up to now is 89.4 secs Computing kpt #: 38 total cpu time spent up to now is 92.4 secs Computing kpt #: 39 total cpu time spent up to now is 94.7 secs Computing kpt #: 40 total cpu time spent up to now is 97.0 secs Computing kpt #: 41 total cpu time spent up to now is 99.4 secs Computing kpt #: 42 total cpu time spent up to now is 101.9 secs Computing kpt #: 43 total cpu time spent up to now is 104.7 secs Computing kpt #: 44 total cpu time spent up to now is 107.0 secs Computing kpt #: 45 total cpu time spent up to now is 109.6 secs Computing kpt #: 46 total cpu time spent up to now is 111.9 secs Computing kpt #: 47 total cpu time spent up to now is 114.1 secs Computing kpt #: 48 total cpu time spent up to now is 116.4 secs Computing kpt #: 49 total cpu time spent up to now is 118.6 secs Computing kpt #: 50 total cpu time spent up to now is 122.7 secs Computing kpt #: 51 total cpu time spent up to now is 124.9 secs Computing kpt #: 52 total cpu time spent up to now is 127.1 secs Computing kpt #: 53 total cpu time spent up to now is 129.3 secs Computing kpt #: 54 total cpu time spent up to now is 131.5 secs Computing kpt #: 55 total cpu time spent up to now is 133.7 secs Computing kpt #: 56 total cpu time spent up to now is 136.0 secs Computing kpt #: 57 total cpu time spent up to now is 138.2 secs Computing kpt #: 58 total cpu time spent up to now is 140.5 secs Computing kpt #: 59 total cpu time spent up to now is 142.7 secs Computing kpt #: 60 total cpu time spent up to now is 144.9 secs Computing kpt #: 61 total cpu time spent up to now is 147.1 secs Computing kpt #: 62 total cpu time spent up to now is 149.4 secs Computing kpt #: 63 total cpu time spent up to now is 151.6 secs Computing kpt #: 64 total cpu time spent up to now is 153.9 secs Computing kpt #: 65 total cpu time spent up to now is 156.2 secs Computing kpt #: 66 total cpu time spent up to now is 158.6 secs Computing kpt #: 67 total cpu time spent up to now is 161.6 secs Computing kpt #: 68 total cpu time spent up to now is 163.9 secs Computing kpt #: 69 total cpu time spent up to now is 166.1 secs Computing kpt #: 70 total cpu time spent up to now is 168.3 secs Computing kpt #: 71 total cpu time spent up to now is 170.6 secs Computing kpt #: 72 total cpu time spent up to now is 172.8 secs Computing kpt #: 73 total cpu time spent up to now is 175.2 secs Computing kpt #: 74 total cpu time spent up to now is 177.4 secs Computing kpt #: 75 total cpu time spent up to now is 179.7 secs Computing kpt #: 76 total cpu time spent up to now is 182.4 secs Computing kpt #: 77 total cpu time spent up to now is 186.4 secs Computing kpt #: 78 total cpu time spent up to now is 189.1 secs Computing kpt #: 79 total cpu time spent up to now is 191.9 secs Computing kpt #: 80 total cpu time spent up to now is 194.6 secs Computing kpt #: 81 total cpu time spent up to now is 197.4 secs Computing kpt #: 82 total cpu time spent up to now is 200.1 secs Computing kpt #: 83 total cpu time spent up to now is 202.8 secs Computing kpt #: 84 total cpu time spent up to now is 205.6 secs Computing kpt #: 85 total cpu time spent up to now is 208.4 secs Computing kpt #: 86 total cpu time spent up to now is 211.2 secs Computing kpt #: 87 total cpu time spent up to now is 214.0 secs Computing kpt #: 88 total cpu time spent up to now is 216.9 secs Computing kpt #: 89 total cpu time spent up to now is 220.2 secs Computing kpt #: 90 total cpu time spent up to now is 223.1 secs Computing kpt #: 91 total cpu time spent up to now is 226.1 secs Computing kpt #: 92 total cpu time spent up to now is 229.7 secs Computing kpt #: 93 total cpu time spent up to now is 232.6 secs Computing kpt #: 94 total cpu time spent up to now is 235.8 secs Computing kpt #: 95 total cpu time spent up to now is 238.6 secs Computing kpt #: 96 total cpu time spent up to now is 241.3 secs Computing kpt #: 97 total cpu time spent up to now is 244.0 secs Computing kpt #: 98 total cpu time spent up to now is 246.8 secs Computing kpt #: 99 total cpu time spent up to now is 249.6 secs Computing kpt #: 100 total cpu time spent up to now is 252.3 secs Computing kpt #: 101 total cpu time spent up to now is 255.0 secs Computing kpt #: 102 total cpu time spent up to now is 257.7 secs Computing kpt #: 103 total cpu time spent up to now is 260.5 secs Computing kpt #: 104 total cpu time spent up to now is 263.2 secs Computing kpt #: 105 total cpu time spent up to now is 265.9 secs Computing kpt #: 106 total cpu time spent up to now is 269.1 secs Computing kpt #: 107 total cpu time spent up to now is 271.8 secs Computing kpt #: 108 total cpu time spent up to now is 274.5 secs Computing kpt #: 109 total cpu time spent up to now is 277.3 secs Computing kpt #: 110 total cpu time spent up to now is 280.1 secs Computing kpt #: 111 total cpu time spent up to now is 282.8 secs Computing kpt #: 112 total cpu time spent up to now is 285.5 secs Computing kpt #: 113 total cpu time spent up to now is 288.2 secs Computing kpt #: 114 total cpu time spent up to now is 290.8 secs Computing kpt #: 115 total cpu time spent up to now is 293.5 secs Computing kpt #: 116 total cpu time spent up to now is 296.3 secs Computing kpt #: 117 total cpu time spent up to now is 299.0 secs Computing kpt #: 118 total cpu time spent up to now is 302.0 secs Computing kpt #: 119 total cpu time spent up to now is 305.4 secs Computing kpt #: 120 total cpu time spent up to now is 308.2 secs Computing kpt #: 121 total cpu time spent up to now is 310.9 secs Computing kpt #: 122 total cpu time spent up to now is 313.6 secs Computing kpt #: 123 total cpu time spent up to now is 316.4 secs Computing kpt #: 124 total cpu time spent up to now is 319.2 secs Computing kpt #: 125 total cpu time spent up to now is 322.0 secs Computing kpt #: 126 total cpu time spent up to now is 324.8 secs Computing kpt #: 127 total cpu time spent up to now is 327.6 secs Computing kpt #: 128 total cpu time spent up to now is 330.5 secs Computing kpt #: 129 total cpu time spent up to now is 333.3 secs Computing kpt #: 130 total cpu time spent up to now is 336.3 secs Computing kpt #: 131 total cpu time spent up to now is 339.7 secs Computing kpt #: 132 total cpu time spent up to now is 342.5 secs Computing kpt #: 133 total cpu time spent up to now is 345.4 secs Computing kpt #: 134 total cpu time spent up to now is 348.3 secs Computing kpt #: 135 total cpu time spent up to now is 351.2 secs Computing kpt #: 136 total cpu time spent up to now is 354.1 secs Computing kpt #: 137 total cpu time spent up to now is 357.1 secs Computing kpt #: 138 total cpu time spent up to now is 360.0 secs Computing kpt #: 139 total cpu time spent up to now is 363.0 secs Computing kpt #: 140 total cpu time spent up to now is 366.2 secs Computing kpt #: 141 total cpu time spent up to now is 369.1 secs Computing kpt #: 142 total cpu time spent up to now is 372.2 secs Computing kpt #: 143 total cpu time spent up to now is 376.1 secs Computing kpt #: 144 total cpu time spent up to now is 379.3 secs Computing kpt #: 145 total cpu time spent up to now is 382.3 secs Computing kpt #: 146 total cpu time spent up to now is 385.1 secs Computing kpt #: 147 total cpu time spent up to now is 388.1 secs Computing kpt #: 148 total cpu time spent up to now is 390.9 secs Computing kpt #: 149 total cpu time spent up to now is 393.7 secs Computing kpt #: 150 total cpu time spent up to now is 396.5 secs Computing kpt #: 151 total cpu time spent up to now is 399.3 secs Computing kpt #: 152 total cpu time spent up to now is 402.2 secs Computing kpt #: 153 total cpu time spent up to now is 404.9 secs Computing kpt #: 154 total cpu time spent up to now is 407.6 secs Computing kpt #: 155 total cpu time spent up to now is 410.3 secs Computing kpt #: 156 total cpu time spent up to now is 413.1 secs Computing kpt #: 157 total cpu time spent up to now is 415.8 secs Computing kpt #: 158 total cpu time spent up to now is 418.5 secs Computing kpt #: 159 total cpu time spent up to now is 421.2 secs Computing kpt #: 160 total cpu time spent up to now is 424.0 secs Computing kpt #: 161 total cpu time spent up to now is 426.6 secs Computing kpt #: 162 total cpu time spent up to now is 429.4 secs Computing kpt #: 163 total cpu time spent up to now is 432.1 secs Computing kpt #: 164 total cpu time spent up to now is 434.8 secs Computing kpt #: 165 total cpu time spent up to now is 437.5 secs Computing kpt #: 166 total cpu time spent up to now is 440.1 secs Computing kpt #: 167 total cpu time spent up to now is 442.9 secs Computing kpt #: 168 total cpu time spent up to now is 445.7 secs Computing kpt #: 169 total cpu time spent up to now is 449.0 secs Computing kpt #: 170 total cpu time spent up to now is 451.7 secs Computing kpt #: 171 total cpu time spent up to now is 454.4 secs Computing kpt #: 172 total cpu time spent up to now is 457.2 secs Computing kpt #: 173 total cpu time spent up to now is 459.9 secs Computing kpt #: 174 total cpu time spent up to now is 462.5 secs Computing kpt #: 175 total cpu time spent up to now is 465.2 secs Computing kpt #: 176 total cpu time spent up to now is 467.9 secs Computing kpt #: 177 total cpu time spent up to now is 470.6 secs Computing kpt #: 178 total cpu time spent up to now is 473.3 secs Computing kpt #: 179 total cpu time spent up to now is 475.9 secs Computing kpt #: 180 total cpu time spent up to now is 478.6 secs Computing kpt #: 181 total cpu time spent up to now is 481.2 secs Computing kpt #: 182 total cpu time spent up to now is 483.9 secs Computing kpt #: 183 total cpu time spent up to now is 486.1 secs Computing kpt #: 184 total cpu time spent up to now is 488.4 secs Computing kpt #: 185 total cpu time spent up to now is 490.5 secs Computing kpt #: 186 total cpu time spent up to now is 492.8 secs Computing kpt #: 187 total cpu time spent up to now is 495.0 secs Computing kpt #: 188 total cpu time spent up to now is 497.2 secs Computing kpt #: 189 total cpu time spent up to now is 499.4 secs Computing kpt #: 190 total cpu time spent up to now is 501.7 secs Computing kpt #: 191 total cpu time spent up to now is 504.2 secs Computing kpt #: 192 total cpu time spent up to now is 506.9 secs Computing kpt #: 193 total cpu time spent up to now is 509.1 secs Computing kpt #: 194 total cpu time spent up to now is 511.3 secs Computing kpt #: 195 total cpu time spent up to now is 513.5 secs Computing kpt #: 196 total cpu time spent up to now is 515.7 secs Computing kpt #: 197 total cpu time spent up to now is 517.8 secs Computing kpt #: 198 total cpu time spent up to now is 520.0 secs Computing kpt #: 199 total cpu time spent up to now is 522.2 secs Computing kpt #: 200 total cpu time spent up to now is 524.4 secs Computing kpt #: 201 total cpu time spent up to now is 526.6 secs Computing kpt #: 202 total cpu time spent up to now is 528.8 secs Computing kpt #: 203 total cpu time spent up to now is 531.0 secs Computing kpt #: 204 total cpu time spent up to now is 533.2 secs Computing kpt #: 205 total cpu time spent up to now is 535.4 secs Computing kpt #: 206 total cpu time spent up to now is 537.5 secs Computing kpt #: 207 total cpu time spent up to now is 539.7 secs Computing kpt #: 208 total cpu time spent up to now is 541.9 secs Computing kpt #: 209 total cpu time spent up to now is 544.1 secs Computing kpt #: 210 total cpu time spent up to now is 546.4 secs Computing kpt #: 211 total cpu time spent up to now is 548.7 secs Computing kpt #: 212 total cpu time spent up to now is 550.8 secs Computing kpt #: 213 total cpu time spent up to now is 553.0 secs Computing kpt #: 214 total cpu time spent up to now is 555.3 secs Computing kpt #: 215 total cpu time spent up to now is 557.5 secs Computing kpt #: 216 total cpu time spent up to now is 559.8 secs Computing kpt #: 217 total cpu time spent up to now is 562.2 secs Computing kpt #: 218 total cpu time spent up to now is 564.8 secs Computing kpt #: 219 total cpu time spent up to now is 567.0 secs Computing kpt #: 220 total cpu time spent up to now is 569.4 secs Computing kpt #: 221 total cpu time spent up to now is 571.6 secs Computing kpt #: 222 total cpu time spent up to now is 573.7 secs Computing kpt #: 223 total cpu time spent up to now is 575.9 secs Computing kpt #: 224 total cpu time spent up to now is 578.1 secs Computing kpt #: 225 total cpu time spent up to now is 580.2 secs Computing kpt #: 226 total cpu time spent up to now is 582.4 secs Computing kpt #: 227 total cpu time spent up to now is 584.6 secs Computing kpt #: 228 total cpu time spent up to now is 586.7 secs Computing kpt #: 229 total cpu time spent up to now is 589.2 secs Computing kpt #: 230 total cpu time spent up to now is 591.3 secs Computing kpt #: 231 total cpu time spent up to now is 593.4 secs Computing kpt #: 232 total cpu time spent up to now is 595.5 secs Computing kpt #: 233 total cpu time spent up to now is 597.6 secs Computing kpt #: 234 total cpu time spent up to now is 599.7 secs Computing kpt #: 235 total cpu time spent up to now is 601.8 secs Computing kpt #: 236 total cpu time spent up to now is 603.8 secs Computing kpt #: 237 total cpu time spent up to now is 606.0 secs Computing kpt #: 238 total cpu time spent up to now is 608.1 secs Computing kpt #: 239 total cpu time spent up to now is 610.3 secs Computing kpt #: 240 total cpu time spent up to now is 612.5 secs Computing kpt #: 241 total cpu time spent up to now is 614.7 secs Computing kpt #: 242 total cpu time spent up to now is 616.8 secs Computing kpt #: 243 total cpu time spent up to now is 618.9 secs Computing kpt #: 244 total cpu time spent up to now is 621.1 secs Computing kpt #: 245 total cpu time spent up to now is 623.2 secs Computing kpt #: 246 total cpu time spent up to now is 625.4 secs Computing kpt #: 247 total cpu time spent up to now is 627.5 secs Computing kpt #: 248 total cpu time spent up to now is 629.7 secs Computing kpt #: 249 total cpu time spent up to now is 631.8 secs Computing kpt #: 250 total cpu time spent up to now is 634.1 secs Computing kpt #: 251 total cpu time spent up to now is 636.3 secs Computing kpt #: 252 total cpu time spent up to now is 638.5 secs Computing kpt #: 253 total cpu time spent up to now is 640.7 secs Computing kpt #: 254 total cpu time spent up to now is 643.0 secs Computing kpt #: 255 total cpu time spent up to now is 646.1 secs Computing kpt #: 256 total cpu time spent up to now is 649.2 secs Computing kpt #: 257 total cpu time spent up to now is 651.9 secs Computing kpt #: 258 total cpu time spent up to now is 654.6 secs Computing kpt #: 259 total cpu time spent up to now is 657.3 secs Computing kpt #: 260 total cpu time spent up to now is 660.0 secs Computing kpt #: 261 total cpu time spent up to now is 662.8 secs Computing kpt #: 262 total cpu time spent up to now is 665.6 secs Computing kpt #: 263 total cpu time spent up to now is 668.5 secs Computing kpt #: 264 total cpu time spent up to now is 671.4 secs Computing kpt #: 265 total cpu time spent up to now is 674.4 secs Computing kpt #: 266 total cpu time spent up to now is 676.9 secs Computing kpt #: 267 total cpu time spent up to now is 679.3 secs Computing kpt #: 268 total cpu time spent up to now is 681.5 secs Computing kpt #: 269 total cpu time spent up to now is 683.7 secs Computing kpt #: 270 total cpu time spent up to now is 685.9 secs Computing kpt #: 271 total cpu time spent up to now is 688.1 secs Computing kpt #: 272 total cpu time spent up to now is 690.4 secs Computing kpt #: 273 total cpu time spent up to now is 692.6 secs Computing kpt #: 274 total cpu time spent up to now is 694.8 secs Computing kpt #: 275 total cpu time spent up to now is 697.0 secs Computing kpt #: 276 total cpu time spent up to now is 699.3 secs Computing kpt #: 277 total cpu time spent up to now is 701.5 secs ethr = 1.67E-08, avg # of iterations = 19.8 total cpu time spent up to now is 701.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16487 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2982 -21.2982 -21.2823 -21.2823 -11.3789 -11.3789 -10.9949 -10.9949 -9.2445 -9.2445 -9.0986 -9.0986 -6.0660 -6.0660 -6.0484 -6.0484 -5.2810 -5.2810 -5.2029 -5.2029 -5.1836 -5.1836 -5.1740 -5.1740 -0.3158 -0.3158 0.0990 0.0990 0.1628 0.1628 0.3221 0.3221 0.6766 0.6766 0.7464 0.7464 2.2310 2.2310 2.3259 2.3259 2.6723 2.6723 2.6783 2.6783 3.3299 3.3299 3.5467 3.5467 3.6499 3.6499 3.9274 3.9274 4.0524 4.0524 4.4602 4.4602 4.4989 4.4989 6.4325 6.4325 8.8667 8.8667 8.9131 8.9131 k = 0.0000 0.0000 0.0273 ( 16515 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2895 -38.2895 -21.2981 -21.2981 -21.2823 -21.2823 -11.3787 -11.3787 -10.9950 -10.9950 -9.2447 -9.2447 -9.0992 -9.0992 -6.0664 -6.0664 -6.0478 -6.0478 -5.2806 -5.2806 -5.2038 -5.2038 -5.1856 -5.1856 -5.1711 -5.1711 -0.3166 -0.3166 0.0986 0.0986 0.1622 0.1622 0.3225 0.3225 0.6764 0.6764 0.7461 0.7461 2.2328 2.2328 2.3275 2.3275 2.6726 2.6726 2.6786 2.6786 3.3293 3.3293 3.5461 3.5461 3.6491 3.6491 3.9258 3.9258 4.0501 4.0501 4.4594 4.4594 4.4981 4.4981 6.4326 6.4326 8.8621 8.8621 8.9089 8.9089 k = 0.0000 0.0000 0.0545 ( 16511 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2981 -21.2981 -21.2823 -21.2823 -11.3779 -11.3779 -10.9951 -10.9951 -9.2453 -9.2453 -9.1010 -9.1010 -6.0675 -6.0675 -6.0461 -6.0461 -5.2794 -5.2794 -5.2065 -5.2065 -5.1887 -5.1887 -5.1653 -5.1653 -0.3185 -0.3185 0.0970 0.0970 0.1610 0.1610 0.3237 0.3237 0.6756 0.6756 0.7454 0.7454 2.2383 2.2383 2.3321 2.3321 2.6736 2.6736 2.6805 2.6805 3.3281 3.3281 3.5445 3.5445 3.6465 3.6465 3.9264 3.9264 4.0504 4.0504 4.4587 4.4587 4.4975 4.4975 6.4352 6.4352 8.8461 8.8461 8.8991 8.8991 k = 0.0000 0.0000 0.0818 ( 16505 PWs) bands (ev): -67.3136 -67.3136 -39.4052 -39.4052 -38.4850 -38.4850 -38.2894 -38.2894 -21.2980 -21.2980 -21.2823 -21.2823 -11.3767 -11.3767 -10.9953 -10.9953 -9.2462 -9.2462 -9.1039 -9.1039 -6.0691 -6.0691 -6.0436 -6.0436 -5.2775 -5.2775 -5.2107 -5.2107 -5.1911 -5.1911 -5.1587 -5.1587 -0.3216 -0.3216 0.0932 0.0932 0.1606 0.1606 0.3253 0.3253 0.6741 0.6741 0.7443 0.7443 2.2473 2.2473 2.3397 2.3397 2.6748 2.6748 2.6846 2.6846 3.3258 3.3258 3.5419 3.5419 3.6425 3.6425 3.9274 3.9274 4.0492 4.0492 4.4586 4.4586 4.4973 4.4973 6.4388 6.4388 8.8155 8.8155 8.8888 8.8888 k = 0.0000 0.0000 0.1091 ( 16493 PWs) bands (ev): -67.3134 -67.3134 -39.4052 -39.4052 -38.4850 -38.4850 -38.2894 -38.2894 -21.2979 -21.2979 -21.2823 -21.2823 -11.3749 -11.3749 -10.9955 -10.9955 -9.2475 -9.2475 -9.1080 -9.1080 -6.0708 -6.0708 -6.0405 -6.0405 -5.2748 -5.2748 -5.2158 -5.2158 -5.1929 -5.1929 -5.1518 -5.1518 -0.3258 -0.3258 0.0860 0.0860 0.1627 0.1627 0.3270 0.3270 0.6716 0.6716 0.7432 0.7432 2.2597 2.2597 2.3501 2.3501 2.6759 2.6759 2.6905 2.6905 3.3220 3.3220 3.5387 3.5387 3.6374 3.6374 3.9294 3.9294 4.0493 4.0493 4.4576 4.4576 4.4963 4.4963 6.4443 6.4443 8.7713 8.7713 8.8792 8.8792 k = 0.0000 0.0000 0.1364 ( 16479 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4849 -38.4849 -38.2893 -38.2893 -21.2978 -21.2978 -21.2823 -21.2823 -11.3726 -11.3726 -10.9959 -10.9959 -9.2492 -9.2492 -9.1132 -9.1132 -6.0725 -6.0725 -6.0371 -6.0371 -5.2714 -5.2714 -5.2212 -5.2212 -5.1945 -5.1945 -5.1447 -5.1447 -0.3313 -0.3313 0.0750 0.0750 0.1681 0.1681 0.3286 0.3286 0.6680 0.6680 0.7425 0.7425 2.2753 2.2753 2.3633 2.3633 2.6771 2.6771 2.6985 2.6985 3.3160 3.3160 3.5352 3.5352 3.6314 3.6314 3.9313 3.9313 4.0487 4.0487 4.4569 4.4569 4.4957 4.4957 6.4508 6.4508 8.7169 8.7169 8.8693 8.8693 k = 0.0000 0.0000 0.1636 ( 16475 PWs) bands (ev): -67.3130 -67.3130 -39.4051 -39.4051 -38.4849 -38.4849 -38.2893 -38.2893 -21.2976 -21.2976 -21.2823 -21.2823 -11.3698 -11.3698 -10.9963 -10.9963 -9.2513 -9.2513 -9.1194 -9.1194 -6.0743 -6.0743 -6.0334 -6.0334 -5.2676 -5.2676 -5.2266 -5.2266 -5.1961 -5.1961 -5.1374 -5.1374 -0.3378 -0.3378 0.0607 0.0607 0.1769 0.1769 0.3298 0.3298 0.6630 0.6630 0.7426 0.7426 2.2940 2.2940 2.3789 2.3789 2.6784 2.6784 2.7078 2.7078 3.3072 3.3072 3.5320 3.5320 3.6250 3.6250 3.9333 3.9333 4.0477 4.0477 4.4552 4.4552 4.4940 4.4940 6.4586 6.4586 8.6553 8.6553 8.8585 8.8585 k = 0.0000 0.0000 0.1909 ( 16483 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4849 -38.4849 -38.2893 -38.2893 -21.2974 -21.2974 -21.2823 -21.2823 -11.3666 -11.3666 -10.9967 -10.9967 -9.2537 -9.2537 -9.1267 -9.1267 -6.0760 -6.0760 -6.0295 -6.0295 -5.2634 -5.2634 -5.2316 -5.2316 -5.1978 -5.1978 -5.1301 -5.1301 -0.3455 -0.3455 0.0439 0.0439 0.1886 0.1886 0.3304 0.3304 0.6566 0.6566 0.7436 0.7436 2.3155 2.3155 2.3968 2.3968 2.6799 2.6799 2.7186 2.7186 3.2946 3.2946 3.5295 3.5295 3.6184 3.6184 3.9350 3.9350 4.0456 4.0456 4.4532 4.4532 4.4920 4.4920 6.4667 6.4667 8.5885 8.5885 8.8466 8.8466 k = 0.0000 0.0000 0.2182 ( 16471 PWs) bands (ev): -67.3129 -67.3129 -39.4051 -39.4051 -38.4849 -38.4849 -38.2893 -38.2893 -21.2971 -21.2971 -21.2823 -21.2823 -11.3628 -11.3628 -10.9972 -10.9972 -9.2566 -9.2566 -9.1350 -9.1350 -6.0776 -6.0776 -6.0255 -6.0255 -5.2597 -5.2597 -5.2356 -5.2356 -5.1995 -5.1995 -5.1229 -5.1229 -0.3541 -0.3541 0.0255 0.0255 0.2029 0.2029 0.3303 0.3303 0.6487 0.6487 0.7458 0.7458 2.3394 2.3394 2.4167 2.4167 2.6817 2.6817 2.7310 2.7310 3.2783 3.2783 3.5285 3.5285 3.6118 3.6118 3.9378 3.9378 4.0456 4.0456 4.4511 4.4511 4.4901 4.4901 6.4762 6.4762 8.5184 8.5184 8.8336 8.8336 k = 0.0000 0.0000 0.2454 ( 16475 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4849 -38.4849 -38.2893 -38.2893 -21.2969 -21.2969 -21.2822 -21.2822 -11.3585 -11.3585 -10.9977 -10.9977 -9.2599 -9.2599 -9.1442 -9.1442 -6.0791 -6.0791 -6.0215 -6.0215 -5.2576 -5.2576 -5.2372 -5.2372 -5.2013 -5.2013 -5.1156 -5.1156 -0.3636 -0.3636 0.0061 0.0061 0.2194 0.2194 0.3296 0.3296 0.6396 0.6396 0.7492 0.7492 2.3655 2.3655 2.4385 2.4385 2.6840 2.6840 2.7443 2.7443 3.2580 3.2580 3.5294 3.5294 3.6056 3.6056 3.9399 3.9399 4.0434 4.0434 4.4485 4.4485 4.4877 4.4877 6.4865 6.4865 8.4460 8.4460 8.8195 8.8195 k = 0.0000 0.0000 0.2727 ( 16473 PWs) bands (ev): -67.3129 -67.3129 -39.4051 -39.4051 -38.4849 -38.4849 -38.2893 -38.2893 -21.2966 -21.2966 -21.2822 -21.2822 -11.3538 -11.3538 -10.9983 -10.9983 -9.2636 -9.2636 -9.1543 -9.1543 -6.0806 -6.0806 -6.0174 -6.0174 -5.2585 -5.2585 -5.2352 -5.2352 -5.2032 -5.2032 -5.1084 -5.1084 -0.3739 -0.3739 -0.0138 -0.0138 0.2379 0.2379 0.3283 0.3283 0.6295 0.6295 0.7536 0.7536 2.3935 2.3935 2.4617 2.4617 2.6869 2.6869 2.7590 2.7590 3.2337 3.2337 3.5317 3.5317 3.5999 3.5999 3.9422 3.9422 4.0417 4.0417 4.4461 4.4461 4.4857 4.4857 6.4972 6.4972 8.3724 8.3724 8.8044 8.8044 k = 0.0000 0.0000 0.3000 ( 16497 PWs) bands (ev): -67.3135 -67.3135 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2963 -21.2963 -21.2822 -21.2822 -11.3486 -11.3486 -10.9989 -10.9989 -9.2677 -9.2677 -9.1651 -9.1651 -6.0820 -6.0820 -6.0134 -6.0134 -5.2617 -5.2617 -5.2306 -5.2306 -5.2051 -5.2051 -5.1013 -5.1013 -0.3850 -0.3850 -0.0337 -0.0337 0.2579 0.2579 0.3266 0.3266 0.6187 0.6187 0.7590 0.7590 2.4228 2.4228 2.4864 2.4864 2.6900 2.6900 2.7738 2.7738 3.2057 3.2057 3.5351 3.5351 3.5950 3.5950 3.9442 3.9442 4.0400 4.0400 4.4414 4.4414 4.4813 4.4813 6.5083 6.5083 8.2983 8.2983 8.7884 8.7884 k = 0.0000 0.0000 0.3272 ( 16493 PWs) bands (ev): -67.3134 -67.3134 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2960 -21.2960 -21.2822 -21.2822 -11.3429 -11.3429 -10.9994 -10.9994 -9.2723 -9.2723 -9.1766 -9.1766 -6.0834 -6.0834 -6.0095 -6.0095 -5.2658 -5.2658 -5.2250 -5.2250 -5.2065 -5.2065 -5.0944 -5.0944 -0.3967 -0.3967 -0.0533 -0.0533 0.2790 0.2790 0.3251 0.3251 0.6074 0.6074 0.7654 0.7654 2.4532 2.4532 2.5122 2.5122 2.6941 2.6941 2.7898 2.7898 3.1748 3.1748 3.5391 3.5391 3.5924 3.5924 3.9471 3.9471 4.0383 4.0383 4.4382 4.4382 4.4785 4.4785 6.5205 6.5205 8.2243 8.2243 8.7715 8.7715 k = 0.0000 0.0000 0.3545 ( 16509 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2956 -21.2956 -21.2822 -21.2822 -11.3367 -11.3367 -11.0000 -11.0000 -9.2773 -9.2773 -9.1888 -9.1888 -6.0847 -6.0847 -6.0058 -6.0058 -5.2701 -5.2701 -5.2203 -5.2203 -5.2064 -5.2064 -5.0876 -5.0876 -0.4090 -0.4090 -0.0722 -0.0722 0.2987 0.2987 0.3261 0.3261 0.5957 0.5957 0.7727 0.7727 2.4841 2.4841 2.5392 2.5392 2.6988 2.6988 2.8058 2.8058 3.1413 3.1413 3.5415 3.5415 3.5927 3.5927 3.9494 3.9494 4.0370 4.0370 4.4334 4.4334 4.4739 4.4739 6.5328 6.5328 8.1509 8.1509 8.7538 8.7538 k = 0.0000 0.0000 0.3818 ( 16513 PWs) bands (ev): -67.3139 -67.3139 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2953 -21.2953 -21.2822 -21.2822 -11.3301 -11.3301 -11.0006 -11.0006 -9.2827 -9.2827 -9.2016 -9.2016 -6.0859 -6.0859 -6.0023 -6.0023 -5.2744 -5.2744 -5.2189 -5.2189 -5.2028 -5.2028 -5.0810 -5.0810 -0.4218 -0.4218 -0.0901 -0.0901 0.3079 0.3079 0.3385 0.3385 0.5839 0.5839 0.7809 0.7809 2.5148 2.5148 2.5672 2.5672 2.7044 2.7044 2.8228 2.8228 3.1059 3.1059 3.5412 3.5412 3.5975 3.5975 3.9526 3.9526 4.0355 4.0355 4.4289 4.4289 4.4704 4.4704 6.5453 6.5453 8.0784 8.0784 8.7355 8.7355 k = 0.0000 0.0000 0.4091 ( 16509 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2949 -21.2949 -21.2822 -21.2822 -11.3231 -11.3231 -11.0012 -11.0012 -9.2886 -9.2886 -9.2148 -9.2148 -6.0870 -6.0870 -5.9990 -5.9990 -5.2785 -5.2785 -5.2201 -5.2201 -5.1962 -5.1962 -5.0746 -5.0746 -0.4350 -0.4350 -0.1068 -0.1068 0.3073 0.3073 0.3617 0.3617 0.5722 0.5722 0.7899 0.7899 2.5447 2.5447 2.5964 2.5964 2.7113 2.7113 2.8400 2.8400 3.0693 3.0693 3.5382 3.5382 3.6072 3.6072 3.9557 3.9557 4.0338 4.0338 4.4246 4.4246 4.4674 4.4674 6.5583 6.5583 8.0072 8.0072 8.7165 8.7165 k = 0.0000 0.0000 0.4363 ( 16499 PWs) bands (ev): -67.3135 -67.3135 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2945 -21.2945 -21.2822 -21.2822 -11.3156 -11.3156 -11.0017 -11.0017 -9.2949 -9.2949 -9.2284 -9.2284 -6.0881 -6.0881 -5.9961 -5.9961 -5.2824 -5.2824 -5.2225 -5.2225 -5.1886 -5.1886 -5.0684 -5.0684 -0.4487 -0.4487 -0.1219 -0.1219 0.3043 0.3043 0.3884 0.3884 0.5606 0.5606 0.7997 0.7997 2.5732 2.5732 2.6266 2.6266 2.7196 2.7196 2.8573 2.8573 3.0319 3.0319 3.5330 3.5330 3.6197 3.6197 3.9594 3.9594 4.0326 4.0326 4.4205 4.4205 4.4647 4.4647 6.5712 6.5712 7.9374 7.9374 8.6969 8.6969 k = 0.0000 0.0000 0.4636 ( 16495 PWs) bands (ev): -67.3134 -67.3134 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2941 -21.2941 -21.2822 -21.2822 -11.3077 -11.3077 -11.0022 -11.0022 -9.3017 -9.3017 -9.2424 -9.2424 -6.0891 -6.0891 -5.9936 -5.9936 -5.2862 -5.2862 -5.2253 -5.2253 -5.1804 -5.1804 -5.0625 -5.0625 -0.4626 -0.4626 -0.1354 -0.1354 0.3005 0.3005 0.4165 0.4165 0.5493 0.5493 0.8104 0.8104 2.5998 2.5998 2.6574 2.6574 2.7295 2.7295 2.8738 2.8738 2.9948 2.9948 3.5266 3.5266 3.6353 3.6353 3.9624 3.9624 4.0314 4.0314 4.4153 4.4153 4.4615 4.4615 6.5845 6.5845 7.8693 7.8693 8.6767 8.6767 k = 0.0000 0.0000 0.4909 ( 16503 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2936 -21.2936 -21.2823 -21.2823 -11.2995 -11.2995 -11.0026 -11.0026 -9.3089 -9.3089 -9.2566 -9.2566 -6.0900 -6.0900 -5.9914 -5.9914 -5.2897 -5.2897 -5.2284 -5.2284 -5.1722 -5.1722 -5.0570 -5.0570 -0.4768 -0.4768 -0.1471 -0.1471 0.2965 0.2965 0.4456 0.4456 0.5385 0.5385 0.8218 0.8218 2.6244 2.6244 2.6876 2.6876 2.7420 2.7420 2.8879 2.8879 2.9600 2.9600 3.5195 3.5195 3.6522 3.6522 3.9640 3.9640 4.0301 4.0301 4.4099 4.4099 4.4583 4.4583 6.5973 6.5973 7.8029 7.8029 8.6559 8.6559 k = 0.0000 0.0000 0.5181 ( 16487 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2932 -21.2932 -21.2823 -21.2823 -11.2908 -11.2908 -11.0030 -11.0030 -9.3165 -9.3165 -9.2709 -9.2709 -6.0908 -6.0908 -5.9897 -5.9897 -5.2929 -5.2929 -5.2316 -5.2316 -5.1638 -5.1638 -5.0517 -5.0517 -0.4912 -0.4912 -0.1569 -0.1569 0.2925 0.2925 0.4752 0.4752 0.5283 0.5283 0.8340 0.8340 2.6469 2.6469 2.7151 2.7151 2.7588 2.7588 2.8905 2.8905 2.9374 2.9374 3.5119 3.5119 3.6708 3.6708 3.9666 3.9666 4.0309 4.0309 4.4043 4.4043 4.4563 4.4563 6.6103 6.6103 7.7385 7.7385 8.6349 8.6349 k = 0.0000 0.0000 0.5454 ( 16477 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2928 -21.2928 -21.2823 -21.2823 -11.2819 -11.2819 -11.0034 -11.0034 -9.3246 -9.3246 -9.2854 -9.2854 -6.0915 -6.0915 -5.9884 -5.9884 -5.2959 -5.2959 -5.2349 -5.2349 -5.1556 -5.1556 -5.0467 -5.0467 -0.5056 -0.5056 -0.1647 -0.1647 0.2886 0.2886 0.5037 0.5037 0.5202 0.5202 0.8469 0.8469 2.6672 2.6672 2.7377 2.7377 2.7814 2.7814 2.8671 2.8671 2.9411 2.9411 3.5041 3.5041 3.6910 3.6910 3.9687 3.9687 4.0322 4.0322 4.3978 4.3978 4.4533 4.4533 6.6235 6.6235 7.6763 7.6763 8.6136 8.6136 k = 0.0000 0.0000 0.5727 ( 16481 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2923 -21.2923 -21.2823 -21.2823 -11.2726 -11.2726 -11.0037 -11.0037 -9.3330 -9.3330 -9.2998 -9.2998 -6.0921 -6.0921 -5.9875 -5.9875 -5.2988 -5.2988 -5.2384 -5.2384 -5.1475 -5.1475 -5.0422 -5.0422 -0.5203 -0.5203 -0.1704 -0.1704 0.2850 0.2850 0.5070 0.5070 0.5382 0.5382 0.8606 0.8606 2.6854 2.6854 2.7561 2.7561 2.8065 2.8065 2.8370 2.8370 2.9549 2.9549 3.4961 3.4961 3.7118 3.7118 3.9691 3.9691 4.0336 4.0336 4.3912 4.3912 4.4498 4.4498 6.6361 6.6361 7.6162 7.6162 8.5916 8.5916 k = 0.0000 0.0000 0.6000 ( 16487 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2919 -21.2919 -21.2823 -21.2823 -11.2631 -11.2631 -11.0039 -11.0039 -9.3419 -9.3419 -9.3141 -9.3141 -6.0926 -6.0926 -5.9872 -5.9872 -5.3014 -5.3014 -5.2419 -5.2419 -5.1395 -5.1395 -5.0379 -5.0379 -0.5350 -0.5350 -0.1740 -0.1740 0.2816 0.2816 0.4988 0.4988 0.5682 0.5682 0.8750 0.8750 2.7011 2.7011 2.7725 2.7725 2.7953 2.7953 2.8447 2.8447 2.9707 2.9707 3.4881 3.4881 3.7334 3.7334 3.9691 3.9691 4.0361 4.0361 4.3829 4.3829 4.4465 4.4465 6.6485 6.6485 7.5583 7.5583 8.5696 8.5696 k = 0.0000 0.0000 0.6272 ( 16483 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2914 -21.2914 -21.2823 -21.2823 -11.2534 -11.2534 -11.0040 -11.0040 -9.3511 -9.3511 -9.3283 -9.3283 -6.0929 -6.0929 -5.9872 -5.9872 -5.3038 -5.3038 -5.2454 -5.2454 -5.1317 -5.1317 -5.0341 -5.0341 -0.5497 -0.5497 -0.1756 -0.1756 0.2787 0.2787 0.4907 0.4907 0.5986 0.5986 0.8900 0.8900 2.7131 2.7131 2.7642 2.7642 2.7896 2.7896 2.8742 2.8742 2.9869 2.9869 3.4802 3.4802 3.7558 3.7558 3.9682 3.9682 4.0399 4.0399 4.3756 4.3756 4.4438 4.4438 6.6606 6.6606 7.5027 7.5027 8.5474 8.5474 k = 0.0000 0.0000 0.6545 ( 16465 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2910 -21.2910 -21.2823 -21.2823 -11.2434 -11.2434 -11.0041 -11.0041 -9.3606 -9.3606 -9.3423 -9.3423 -6.0930 -6.0930 -5.9877 -5.9877 -5.3061 -5.3061 -5.2490 -5.2490 -5.1242 -5.1242 -5.0306 -5.0306 -0.5643 -0.5643 -0.1753 -0.1753 0.2762 0.2762 0.4831 0.4831 0.6288 0.6288 0.9056 0.9056 2.7125 2.7125 2.7445 2.7445 2.8064 2.8064 2.9042 2.9042 3.0033 3.0033 3.4725 3.4725 3.7791 3.7791 3.9682 3.9682 4.0448 4.0448 4.3675 4.3675 4.4422 4.4422 6.6724 6.6724 7.4496 7.4496 8.5252 8.5252 k = 0.0000 0.0000 0.6818 ( 16457 PWs) bands (ev): -67.3126 -67.3126 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2906 -21.2906 -21.2823 -21.2823 -11.2334 -11.2334 -11.0042 -11.0042 -9.3704 -9.3704 -9.3559 -9.3559 -6.0930 -6.0930 -5.9887 -5.9887 -5.3082 -5.3082 -5.2525 -5.2525 -5.1170 -5.1170 -5.0275 -5.0275 -0.5789 -0.5789 -0.1730 -0.1730 0.2743 0.2743 0.4761 0.4761 0.6585 0.6585 0.9218 0.9218 2.6886 2.6886 2.7470 2.7470 2.8241 2.8241 2.9333 2.9333 3.0192 3.0192 3.4651 3.4651 3.8025 3.8025 3.9666 3.9666 4.0500 4.0500 4.3596 4.3596 4.4401 4.4401 6.6835 6.6835 7.3989 7.3989 8.5029 8.5029 k = 0.0000 0.0000 0.7090 ( 16469 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2901 -21.2901 -21.2823 -21.2823 -11.2232 -11.2232 -11.0041 -11.0041 -9.3806 -9.3806 -9.3691 -9.3691 -6.0929 -6.0929 -5.9900 -5.9900 -5.3103 -5.3103 -5.2560 -5.2560 -5.1100 -5.1100 -5.0247 -5.0247 -0.5934 -0.5934 -0.1691 -0.1691 0.2729 0.2729 0.4698 0.4698 0.6876 0.6876 0.9384 0.9384 2.6595 2.6595 2.7540 2.7540 2.8426 2.8426 2.9609 2.9609 3.0346 3.0346 3.4581 3.4581 3.8259 3.8259 3.9634 3.9634 4.0549 4.0549 4.3507 4.3507 4.4373 4.4373 6.6940 6.6940 7.3506 7.3506 8.4802 8.4802 k = 0.0000 0.0000 0.7363 ( 16469 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2897 -21.2897 -21.2823 -21.2823 -11.2130 -11.2130 -11.0040 -11.0040 -9.3909 -9.3909 -9.3818 -9.3818 -6.0925 -6.0925 -5.9918 -5.9918 -5.3122 -5.3122 -5.2595 -5.2595 -5.1033 -5.1033 -5.0224 -5.0224 -0.6077 -0.6077 -0.1636 -0.1636 0.2722 0.2722 0.4639 0.4639 0.7159 0.7159 0.9554 0.9554 2.6308 2.6308 2.7603 2.7603 2.8621 2.8621 2.9865 2.9865 3.0501 3.0501 3.4517 3.4517 3.8501 3.8501 3.9604 3.9604 4.0603 4.0603 4.3416 4.3416 4.4358 4.4358 6.7041 6.7041 7.3049 7.3049 8.4577 8.4577 k = 0.0000 0.0000 0.7636 ( 16481 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2893 -21.2893 -21.2823 -21.2823 -11.2029 -11.2029 -11.0039 -11.0039 -9.4015 -9.4015 -9.3940 -9.3940 -6.0920 -6.0920 -5.9938 -5.9938 -5.3140 -5.3140 -5.2629 -5.2629 -5.0969 -5.0969 -5.0204 -5.0204 -0.6218 -0.6218 -0.1568 -0.1568 0.2722 0.2722 0.4587 0.4587 0.7432 0.7432 0.9727 0.9727 2.6034 2.6034 2.7649 2.7649 2.8826 2.8826 3.0098 3.0098 3.0652 3.0652 3.4459 3.4459 3.8730 3.8730 3.9572 3.9572 4.0658 4.0658 4.3320 4.3320 4.4339 4.4339 6.7132 6.7132 7.2617 7.2617 8.4352 8.4352 k = 0.0000 0.0000 0.7908 ( 16489 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2889 -21.2889 -21.2823 -21.2823 -11.1928 -11.1928 -11.0037 -11.0037 -9.4122 -9.4122 -9.4055 -9.4055 -6.0912 -6.0912 -5.9962 -5.9962 -5.3158 -5.3158 -5.2663 -5.2663 -5.0908 -5.0908 -5.0188 -5.0188 -0.6356 -0.6356 -0.1488 -0.1488 0.2729 0.2729 0.4540 0.4540 0.7693 0.7693 0.9901 0.9901 2.5775 2.5775 2.7677 2.7677 2.9039 2.9039 3.0303 3.0303 3.0802 3.0802 3.4408 3.4408 3.8958 3.8958 3.9542 3.9542 4.0720 4.0720 4.3220 4.3220 4.4322 4.4322 6.7218 6.7218 7.2212 7.2212 8.4129 8.4129 k = 0.0000 0.0000 0.8181 ( 16490 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2886 -21.2886 -21.2823 -21.2823 -11.1829 -11.1829 -11.0035 -11.0035 -9.4228 -9.4228 -9.4164 -9.4164 -6.0903 -6.0903 -5.9989 -5.9989 -5.3174 -5.3174 -5.2695 -5.2695 -5.0849 -5.0849 -5.0175 -5.0175 -0.6489 -0.6489 -0.1400 -0.1400 0.2743 0.2743 0.4498 0.4498 0.7942 0.7942 1.0075 1.0075 2.5533 2.5533 2.7689 2.7689 2.9259 2.9259 3.0480 3.0480 3.0954 3.0954 3.4367 3.4367 3.9181 3.9181 3.9524 3.9524 4.0776 4.0776 4.3117 4.3117 4.4317 4.4317 6.7297 6.7297 7.1832 7.1832 8.3910 8.3910 k = 0.0000 0.0000 0.8454 ( 16466 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2882 -21.2882 -21.2823 -21.2823 -11.1732 -11.1732 -11.0032 -11.0032 -9.4332 -9.4332 -9.4269 -9.4269 -6.0892 -6.0892 -6.0018 -6.0018 -5.3191 -5.3191 -5.2726 -5.2726 -5.0794 -5.0794 -5.0165 -5.0165 -0.6617 -0.6617 -0.1305 -0.1305 0.2765 0.2765 0.4461 0.4461 0.8177 0.8177 1.0248 1.0248 2.5308 2.5308 2.7686 2.7686 2.9486 2.9486 3.0631 3.0631 3.1104 3.1104 3.4335 3.4335 3.9364 3.9364 3.9553 3.9553 4.0852 4.0852 4.3019 4.3019 4.4325 4.4325 6.7371 6.7371 7.1480 7.1480 8.3697 8.3697 k = 0.0000 0.0000 0.8727 ( 16458 PWs) bands (ev): -67.3125 -67.3125 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2879 -21.2879 -21.2823 -21.2823 -11.1638 -11.1638 -11.0029 -11.0029 -9.4432 -9.4432 -9.4369 -9.4369 -6.0879 -6.0879 -6.0049 -6.0049 -5.3206 -5.3206 -5.2756 -5.2756 -5.0741 -5.0741 -5.0159 -5.0159 -0.6741 -0.6741 -0.1207 -0.1207 0.2794 0.2794 0.4429 0.4429 0.8397 0.8397 1.0417 1.0417 2.5101 2.5101 2.7669 2.7669 2.9715 2.9715 3.0757 3.0757 3.1244 3.1244 3.4312 3.4312 3.9415 3.9415 3.9702 3.9702 4.0912 4.0912 4.2916 4.2916 4.4328 4.4328 6.7434 6.7434 7.1153 7.1153 8.3487 8.3487 k = 0.0000 0.0000 0.8999 ( 16458 PWs) bands (ev): -67.3125 -67.3125 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2875 -21.2875 -21.2823 -21.2823 -11.1548 -11.1548 -11.0026 -11.0026 -9.4526 -9.4526 -9.4464 -9.4464 -6.0864 -6.0864 -6.0082 -6.0082 -5.3221 -5.3221 -5.2784 -5.2784 -5.0691 -5.0691 -5.0156 -5.0156 -0.6858 -0.6858 -0.1108 -0.1108 0.2830 0.2830 0.4400 0.4400 0.8602 0.8602 1.0583 1.0583 2.4910 2.4910 2.7639 2.7639 2.9945 2.9945 3.0862 3.0862 3.1372 3.1372 3.4301 3.4301 3.9405 3.9405 3.9898 3.9898 4.0967 4.0967 4.2812 4.2812 4.4328 4.4328 6.7491 6.7491 7.0853 7.0853 8.3283 8.3283 k = 0.0000 0.0000 0.9272 ( 16466 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2873 -21.2873 -21.2824 -21.2824 -11.1463 -11.1463 -11.0023 -11.0023 -9.4614 -9.4614 -9.4555 -9.4555 -6.0847 -6.0847 -6.0116 -6.0116 -5.3235 -5.3235 -5.2810 -5.2810 -5.0644 -5.0644 -5.0156 -5.0156 -0.6969 -0.6969 -0.1011 -0.1011 0.2871 0.2871 0.4376 0.4376 0.8790 0.8790 1.0742 1.0742 2.4737 2.4737 2.7600 2.7600 3.0172 3.0172 3.0950 3.0950 3.1485 3.1485 3.4299 3.4299 3.9381 3.9381 4.0093 4.0093 4.1016 4.1016 4.2709 4.2709 4.4325 4.4325 6.7539 6.7539 7.0579 7.0579 8.3084 8.3084 k = 0.0000 0.0000 0.9545 ( 16466 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2870 -21.2870 -21.2824 -21.2824 -11.1383 -11.1383 -11.0020 -11.0020 -9.4695 -9.4695 -9.4640 -9.4640 -6.0829 -6.0829 -6.0151 -6.0151 -5.3248 -5.3248 -5.2834 -5.2834 -5.0599 -5.0599 -5.0159 -5.0159 -0.7071 -0.7071 -0.0918 -0.0918 0.2917 0.2917 0.4354 0.4354 0.8962 0.8962 1.0892 1.0892 2.4582 2.4582 2.7554 2.7554 3.0394 3.0394 3.1024 3.1024 3.1582 3.1582 3.4306 3.4306 3.9352 3.9352 4.0284 4.0284 4.1070 4.1070 4.2610 4.2610 4.4326 4.4326 6.7580 6.7580 7.0331 7.0331 8.2896 8.2896 k = 0.0000 0.0000 0.9817 ( 16474 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2867 -21.2867 -21.2824 -21.2824 -11.1308 -11.1308 -11.0017 -11.0017 -9.4768 -9.4768 -9.4719 -9.4719 -6.0809 -6.0809 -6.0186 -6.0186 -5.3261 -5.3261 -5.2856 -5.2856 -5.0557 -5.0557 -5.0165 -5.0165 -0.7166 -0.7166 -0.0831 -0.0831 0.2967 0.2967 0.4336 0.4336 0.9116 0.9116 1.1033 1.1033 2.4443 2.4443 2.7503 2.7503 3.0606 3.0606 3.1087 3.1087 3.1664 3.1664 3.4321 3.4321 3.9326 3.9326 4.0451 4.0451 4.1113 4.1113 4.2510 4.2510 4.4333 4.4333 6.7613 6.7613 7.0110 7.0110 8.2717 8.2717 k = 0.0000 0.0000 1.0090 ( 16476 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2865 -21.2865 -21.2824 -21.2824 -11.1241 -11.1241 -11.0014 -11.0014 -9.4833 -9.4833 -9.4791 -9.4791 -6.0788 -6.0788 -6.0221 -6.0221 -5.3272 -5.3272 -5.2876 -5.2876 -5.0517 -5.0517 -5.0173 -5.0173 -0.7251 -0.7251 -0.0751 -0.0751 0.3018 0.3018 0.4321 0.4321 0.9252 0.9252 1.1163 1.1163 2.4321 2.4321 2.7450 2.7450 3.0803 3.0803 3.1139 3.1139 3.1731 3.1731 3.4341 3.4341 3.9305 3.9305 4.0608 4.0608 4.1162 4.1162 4.2414 4.2414 4.4336 4.4336 6.7641 6.7641 6.9915 6.9915 8.2554 8.2554 k = 0.0000 0.0000 1.0363 ( 16478 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2863 -21.2863 -21.2824 -21.2824 -11.1181 -11.1181 -11.0011 -11.0011 -9.4891 -9.4891 -9.4855 -9.4855 -6.0767 -6.0767 -6.0255 -6.0255 -5.3282 -5.3282 -5.2893 -5.2893 -5.0480 -5.0480 -5.0183 -5.0183 -0.7326 -0.7326 -0.0680 -0.0680 0.3068 0.3068 0.4308 0.4308 0.9371 0.9371 1.1279 1.1279 2.4216 2.4216 2.7397 2.7397 3.0981 3.0981 3.1185 3.1185 3.1783 3.1783 3.4364 3.4364 3.9288 3.9288 4.0748 4.0748 4.1199 4.1199 4.2332 4.2332 4.4336 4.4336 6.7662 6.7662 6.9747 6.9747 8.2406 8.2406 k = 0.0000 0.0000 1.0636 ( 16484 PWs) bands (ev): -67.3130 -67.3130 -39.4053 -39.4053 -38.4850 -38.4850 -38.2892 -38.2892 -21.2862 -21.2862 -21.2824 -21.2824 -11.1129 -11.1129 -11.0009 -11.0009 -9.4939 -9.4939 -9.4911 -9.4911 -6.0746 -6.0746 -6.0287 -6.0287 -5.3291 -5.3291 -5.2908 -5.2908 -5.0445 -5.0445 -5.0196 -5.0196 -0.7391 -0.7391 -0.0619 -0.0619 0.3116 0.3116 0.4297 0.4297 0.9471 0.9471 1.1380 1.1380 2.4128 2.4128 2.7348 2.7348 3.1124 3.1124 3.1238 3.1238 3.1824 3.1824 3.4389 3.4389 3.9269 3.9269 4.0871 4.0871 4.1229 4.1229 4.2253 4.2253 4.4339 4.4339 6.7679 6.7679 6.9604 6.9604 8.2274 8.2274 k = 0.0000 0.0000 1.0908 ( 16490 PWs) bands (ev): -67.3132 -67.3132 -39.4053 -39.4053 -38.4851 -38.4851 -38.2892 -38.2892 -21.2860 -21.2860 -21.2824 -21.2824 -11.1085 -11.1085 -11.0007 -11.0007 -9.4979 -9.4979 -9.4957 -9.4957 -6.0725 -6.0725 -6.0318 -6.0318 -5.3298 -5.3298 -5.2921 -5.2921 -5.0412 -5.0412 -5.0211 -5.0211 -0.7445 -0.7445 -0.0569 -0.0569 0.3159 0.3159 0.4288 0.4288 0.9552 0.9552 1.1465 1.1465 2.4056 2.4056 2.7304 2.7304 3.1200 3.1200 3.1328 3.1328 3.1855 3.1855 3.4412 3.4412 3.9258 3.9258 4.0970 4.0970 4.1245 4.1245 4.2185 4.2185 4.4344 4.4344 6.7691 6.7691 6.9488 6.9488 8.2162 8.2162 k = 0.0000 0.0000 1.1181 ( 16490 PWs) bands (ev): -67.3132 -67.3132 -39.4053 -39.4053 -38.4851 -38.4851 -38.2892 -38.2892 -21.2859 -21.2859 -21.2824 -21.2824 -11.1051 -11.1051 -11.0005 -11.0005 -9.5010 -9.5010 -9.4995 -9.4995 -6.0705 -6.0705 -6.0344 -6.0344 -5.3304 -5.3304 -5.2930 -5.2930 -5.0382 -5.0382 -5.0227 -5.0227 -0.7487 -0.7487 -0.0529 -0.0529 0.3196 0.3196 0.4281 0.4281 0.9616 0.9616 1.1532 1.1532 2.4000 2.4000 2.7268 2.7268 3.1231 3.1231 3.1429 3.1429 3.1876 3.1876 3.4433 3.4433 3.9244 3.9244 4.1045 4.1045 4.1271 4.1271 4.2136 4.2136 4.4349 4.4349 6.7699 6.7699 6.9397 6.9397 8.2072 8.2072 k = 0.0000 0.0000 1.1454 ( 16498 PWs) bands (ev): -67.3133 -67.3133 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2858 -21.2858 -21.2824 -21.2824 -11.1026 -11.1026 -11.0004 -11.0004 -9.5032 -9.5032 -9.5022 -9.5022 -6.0689 -6.0689 -6.0365 -6.0365 -5.3308 -5.3308 -5.2937 -5.2937 -5.0355 -5.0355 -5.0244 -5.0244 -0.7518 -0.7518 -0.0501 -0.0501 0.3223 0.3223 0.4276 0.4276 0.9662 0.9662 1.1581 1.1581 2.3960 2.3960 2.7240 2.7240 3.1247 3.1247 3.1509 3.1509 3.1890 3.1890 3.4449 3.4449 3.9235 3.9235 4.1095 4.1095 4.1283 4.1283 4.2097 4.2097 4.4351 4.4351 6.7705 6.7705 6.9333 6.9333 8.2005 8.2005 k = 0.0000 0.0000 1.1726 ( 16482 PWs) bands (ev): -67.3129 -67.3129 -39.4053 -39.4053 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1011 -11.1011 -11.0003 -11.0003 -9.5044 -9.5044 -9.5039 -9.5039 -6.0679 -6.0679 -6.0379 -6.0379 -5.3310 -5.3310 -5.2941 -5.2941 -5.0332 -5.0332 -5.0261 -5.0261 -0.7537 -0.7537 -0.0484 -0.0484 0.3241 0.3241 0.4273 0.4273 0.9690 0.9690 1.1610 1.1610 2.3936 2.3936 2.7223 2.7223 3.1259 3.1259 3.1559 3.1559 3.1900 3.1900 3.4459 3.4459 3.9238 3.9238 4.1129 4.1129 4.1295 4.1295 4.2081 4.2081 4.4368 4.4368 6.7708 6.7708 6.9294 6.9294 8.1966 8.1966 k = 0.0000 0.0000 1.1999 ( 16484 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0675 -6.0675 -6.0384 -6.0384 -5.3311 -5.3311 -5.2943 -5.2943 -5.0322 -5.0322 -5.0269 -5.0269 -0.7543 -0.7543 -0.0478 -0.0478 0.3247 0.3247 0.4272 0.4272 0.9699 0.9699 1.1620 1.1620 2.3927 2.3927 2.7218 2.7218 3.1263 3.1263 3.1576 3.1576 3.1904 3.1904 3.4462 3.4462 3.9227 3.9227 4.1139 4.1139 4.1299 4.1299 4.2072 4.2072 4.4376 4.4376 6.7709 6.7709 6.9281 6.9281 8.1951 8.1951 k = 0.0000 0.0000 1.1999 ( 16484 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0675 -6.0675 -6.0384 -6.0384 -5.3311 -5.3311 -5.2943 -5.2943 -5.0322 -5.0322 -5.0269 -5.0269 -0.7543 -0.7543 -0.0478 -0.0478 0.3247 0.3247 0.4272 0.4272 0.9699 0.9699 1.1620 1.1620 2.3927 2.3927 2.7218 2.7218 3.1263 3.1263 3.1576 3.1576 3.1904 3.1904 3.4462 3.4462 3.9227 3.9227 4.1139 4.1139 4.1299 4.1299 4.2072 4.2072 4.4376 4.4376 6.7709 6.7709 6.9281 6.9281 8.1951 8.1951 k =-0.0105 0.0229 1.1999 ( 16470 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1007 -11.1007 -11.0008 -11.0008 -9.5045 -9.5045 -9.5039 -9.5039 -6.0678 -6.0678 -6.0380 -6.0380 -5.3311 -5.3311 -5.2941 -5.2941 -5.0337 -5.0337 -5.0256 -5.0256 -0.7543 -0.7543 -0.0472 -0.0472 0.3247 0.3247 0.4258 0.4258 0.9694 0.9694 1.1611 1.1611 2.3939 2.3939 2.7220 2.7220 3.1251 3.1251 3.1580 3.1580 3.1901 3.1901 3.4459 3.4459 3.9233 3.9233 4.1140 4.1140 4.1298 4.1298 4.2082 4.2082 4.4376 4.4376 6.7728 6.7728 6.9268 6.9268 8.1954 8.1954 k =-0.0210 0.0458 1.1999 ( 16462 PWs) bands (ev): -67.3125 -67.3125 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1007 -11.1007 -11.0022 -11.0022 -9.5034 -9.5034 -9.5023 -9.5023 -6.0689 -6.0689 -6.0367 -6.0367 -5.3309 -5.3309 -5.2938 -5.2938 -5.0365 -5.0365 -5.0231 -5.0231 -0.7543 -0.7543 -0.0453 -0.0453 0.3249 0.3249 0.4216 0.4216 0.9678 0.9678 1.1582 1.1582 2.3973 2.3973 2.7226 2.7226 3.1215 3.1215 3.1586 3.1586 3.1893 3.1893 3.4449 3.4449 3.9240 3.9240 4.1117 4.1117 4.1298 4.1298 4.2093 4.2093 4.4366 4.4366 6.7785 6.7785 6.9227 6.9227 8.1956 8.1956 k =-0.0315 0.0688 1.1999 ( 16464 PWs) bands (ev): -67.3125 -67.3125 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2825 -21.2825 -11.1008 -11.1008 -11.0045 -11.0045 -9.5015 -9.5015 -9.4997 -9.4997 -6.0704 -6.0704 -6.0347 -6.0347 -5.3307 -5.3307 -5.2931 -5.2931 -5.0398 -5.0398 -5.0206 -5.0206 -0.7544 -0.7544 -0.0422 -0.0422 0.3251 0.3251 0.4147 0.4147 0.9651 0.9651 1.1534 1.1534 2.4029 2.4029 2.7238 2.7238 3.1162 3.1162 3.1587 3.1587 3.1886 3.1886 3.4432 3.4432 3.9245 3.9245 4.1075 4.1075 4.1287 4.1287 4.2091 4.2091 4.4355 4.4355 6.7879 6.7879 6.9162 6.9162 8.1957 8.1957 k =-0.0420 0.0917 1.1999 ( 16468 PWs) bands (ev): -67.3126 -67.3126 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2826 -21.2826 -11.1010 -11.1010 -11.0078 -11.0078 -9.4989 -9.4989 -9.4961 -9.4961 -6.0722 -6.0722 -6.0322 -6.0322 -5.3304 -5.3304 -5.2923 -5.2923 -5.0433 -5.0433 -5.0181 -5.0181 -0.7545 -0.7545 -0.0380 -0.0380 0.3254 0.3254 0.4053 0.4053 0.9614 0.9614 1.1467 1.1467 2.4104 2.4104 2.7253 2.7253 3.1095 3.1095 3.1572 3.1572 3.1886 3.1886 3.4409 3.4409 3.9256 3.9256 4.1012 4.1012 4.1266 4.1266 4.2095 4.2095 4.4337 4.4337 6.8009 6.8009 6.9076 6.9076 8.1953 8.1953 k =-0.0525 0.1146 1.1999 ( 16458 PWs) bands (ev): -67.3124 -67.3124 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2827 -21.2827 -11.1012 -11.1012 -11.0119 -11.0119 -9.4954 -9.4954 -9.4916 -9.4916 -6.0743 -6.0743 -6.0293 -6.0293 -5.3300 -5.3300 -5.2911 -5.2911 -5.0469 -5.0469 -5.0157 -5.0157 -0.7547 -0.7547 -0.0325 -0.0325 0.3259 0.3259 0.3936 0.3936 0.9568 0.9568 1.1382 1.1382 2.4197 2.4197 2.7274 2.7274 3.1016 3.1016 3.1535 3.1535 3.1900 3.1900 3.4380 3.4380 3.9271 3.9271 4.0932 4.0932 4.1254 4.1254 4.2111 4.2111 4.4320 4.4320 6.8175 6.8175 6.8975 6.8975 8.1945 8.1945 k =-0.0525 0.1146 1.1999 ( 16458 PWs) bands (ev): -67.3124 -67.3124 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2827 -21.2827 -11.1012 -11.1012 -11.0119 -11.0119 -9.4954 -9.4954 -9.4916 -9.4916 -6.0743 -6.0743 -6.0293 -6.0293 -5.3300 -5.3300 -5.2911 -5.2911 -5.0469 -5.0469 -5.0157 -5.0157 -0.7547 -0.7547 -0.0325 -0.0325 0.3259 0.3259 0.3936 0.3936 0.9568 0.9568 1.1382 1.1382 2.4197 2.4197 2.7274 2.7274 3.1016 3.1016 3.1535 3.1535 3.1900 3.1900 3.4380 3.4380 3.9271 3.9271 4.0932 4.0932 4.1254 4.1254 4.2111 4.2111 4.4320 4.4320 6.8175 6.8175 6.8975 6.8975 8.1945 8.1945 k =-0.0605 0.1320 1.1807 ( 16463 PWs) bands (ev): -67.3125 -67.3125 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2828 -21.2828 -11.1016 -11.1016 -11.0156 -11.0156 -9.4920 -9.4920 -9.4873 -9.4873 -6.0760 -6.0760 -6.0269 -6.0269 -5.3295 -5.3295 -5.2901 -5.2901 -5.0499 -5.0499 -5.0140 -5.0140 -0.7545 -0.7545 -0.0279 -0.0279 0.3259 0.3259 0.3834 0.3834 0.9522 0.9522 1.1299 1.1299 2.4282 2.4282 2.7297 2.7297 3.0947 3.0947 3.1488 3.1488 3.1913 3.1913 3.4352 3.4352 3.9283 3.9283 4.0847 4.0847 4.1233 4.1233 4.2120 4.2120 4.4302 4.4302 6.8280 6.8280 6.8937 6.8937 8.1943 8.1943 k =-0.0685 0.1495 1.1616 ( 16466 PWs) bands (ev): -67.3126 -67.3126 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2829 -21.2829 -11.1025 -11.1025 -11.0198 -11.0198 -9.4878 -9.4878 -9.4822 -9.4822 -6.0778 -6.0778 -6.0241 -6.0241 -5.3290 -5.3290 -5.2887 -5.2887 -5.0530 -5.0530 -5.0125 -5.0125 -0.7537 -0.7537 -0.0232 -0.0232 0.3253 0.3253 0.3724 0.3724 0.9462 0.9462 1.1195 1.1195 2.4381 2.4381 2.7328 2.7328 3.0869 3.0869 3.1427 3.1427 3.1921 3.1921 3.4316 3.4316 3.9294 3.9294 4.0733 4.0733 4.1218 4.1218 4.2149 4.2149 4.4280 4.4280 6.8258 6.8258 6.9044 6.9044 8.1959 8.1959 k =-0.0765 0.1669 1.1424 ( 16467 PWs) bands (ev): -67.3126 -67.3126 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2831 -21.2831 -11.1039 -11.1039 -11.0244 -11.0244 -9.4826 -9.4826 -9.4762 -9.4762 -6.0796 -6.0796 -6.0212 -6.0212 -5.3283 -5.3283 -5.2871 -5.2871 -5.0563 -5.0563 -5.0112 -5.0112 -0.7523 -0.7523 -0.0182 -0.0182 0.3239 0.3239 0.3609 0.3609 0.9386 0.9386 1.1070 1.1070 2.4495 2.4495 2.7368 2.7368 3.0785 3.0785 3.1356 3.1356 3.1923 3.1923 3.4273 3.4273 3.9309 3.9309 4.0596 4.0596 4.1211 4.1211 4.2170 4.2170 4.4266 4.4266 6.8121 6.8121 6.9281 6.9281 8.2001 8.2001 k =-0.0845 0.1843 1.1232 ( 16474 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2859 -21.2859 -21.2832 -21.2832 -11.1056 -11.1056 -11.0293 -11.0293 -9.4767 -9.4767 -9.4695 -9.4695 -6.0813 -6.0813 -6.0182 -6.0182 -5.3274 -5.3274 -5.2853 -5.2853 -5.0596 -5.0596 -5.0103 -5.0103 -0.7503 -0.7503 -0.0130 -0.0130 0.3215 0.3215 0.3494 0.3494 0.9297 0.9297 1.0923 1.0923 2.4620 2.4620 2.7416 2.7416 3.0695 3.0695 3.1277 3.1277 3.1917 3.1917 3.4222 3.4222 3.9321 3.9321 4.0435 4.0435 4.1202 4.1202 4.2200 4.2200 4.4250 4.4250 6.7929 6.7929 6.9582 6.9582 8.2077 8.2077 k =-0.0925 0.2018 1.1040 ( 16482 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2859 -21.2859 -21.2834 -21.2834 -11.1078 -11.1078 -11.0346 -11.0346 -9.4700 -9.4700 -9.4621 -9.4621 -6.0829 -6.0829 -6.0152 -6.0152 -5.3264 -5.3264 -5.2832 -5.2832 -5.0630 -5.0630 -5.0097 -5.0097 -0.7475 -0.7475 -0.0076 -0.0076 0.3171 0.3171 0.3388 0.3388 0.9193 0.9193 1.0755 1.0755 2.4756 2.4756 2.7473 2.7473 3.0598 3.0598 3.1195 3.1195 3.1900 3.1900 3.4164 3.4164 3.9338 3.9338 4.0258 4.0258 4.1193 4.1193 4.2240 4.2240 4.4226 4.4226 6.7709 6.7709 6.9914 6.9914 8.2195 8.2195 k =-0.1005 0.2192 1.0849 ( 16484 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2860 -21.2860 -21.2835 -21.2835 -11.1104 -11.1104 -11.0401 -11.0401 -9.4627 -9.4627 -9.4541 -9.4541 -6.0843 -6.0843 -6.0122 -6.0122 -5.3253 -5.3253 -5.2809 -5.2809 -5.0664 -5.0664 -5.0095 -5.0095 -0.7442 -0.7442 -0.0018 -0.0018 0.3099 0.3099 0.3303 0.3303 0.9075 0.9075 1.0566 1.0566 2.4901 2.4901 2.7539 2.7539 3.0496 3.0496 3.1111 3.1111 3.1875 3.1875 3.4098 3.4098 3.9355 3.9355 4.0074 4.0074 4.1190 4.1190 4.2291 4.2291 4.4198 4.4198 6.7473 6.7473 7.0258 7.0258 8.2364 8.2364 k =-0.1085 0.2366 1.0657 ( 16475 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2861 -21.2861 -21.2837 -21.2837 -11.1133 -11.1133 -11.0459 -11.0459 -9.4547 -9.4547 -9.4455 -9.4455 -6.0855 -6.0855 -6.0094 -6.0094 -5.3240 -5.3240 -5.2784 -5.2784 -5.0697 -5.0697 -5.0097 -5.0097 -0.7401 -0.7401 0.0043 0.0043 0.2998 0.2998 0.3244 0.3244 0.8943 0.8943 1.0356 1.0356 2.5054 2.5054 2.7612 2.7612 3.0393 3.0393 3.1029 3.1029 3.1844 3.1844 3.4027 3.4027 3.9380 3.9380 3.9888 3.9888 4.1188 4.1188 4.2345 4.2345 4.4179 4.4179 6.7226 6.7226 7.0603 7.0603 8.2591 8.2591 k =-0.1165 0.2541 1.0465 ( 16475 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2861 -21.2861 -21.2839 -21.2839 -11.1164 -11.1164 -11.0518 -11.0518 -9.4462 -9.4462 -9.4366 -9.4366 -6.0864 -6.0864 -6.0068 -6.0068 -5.3225 -5.3225 -5.2757 -5.2757 -5.0730 -5.0730 -5.0103 -5.0103 -0.7355 -0.7355 0.0109 0.0109 0.2881 0.2881 0.3198 0.3198 0.8796 0.8796 1.0126 1.0126 2.5212 2.5212 2.7692 2.7692 3.0288 3.0288 3.0949 3.0949 3.1805 3.1805 3.3948 3.3948 3.9380 3.9380 3.9708 3.9708 4.1181 4.1181 4.2399 4.2399 4.4162 4.4162 6.6972 6.6972 7.0934 7.0934 8.2882 8.2882 k =-0.1244 0.2715 1.0273 ( 16477 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2862 -21.2862 -21.2840 -21.2840 -11.1198 -11.1198 -11.0578 -11.0578 -9.4373 -9.4373 -9.4273 -9.4273 -6.0871 -6.0871 -6.0044 -6.0044 -5.3209 -5.3209 -5.2728 -5.2728 -5.0762 -5.0762 -5.0113 -5.0113 -0.7303 -0.7303 0.0180 0.0180 0.2761 0.2761 0.3155 0.3155 0.8636 0.8636 0.9877 0.9877 2.5374 2.5374 2.7778 2.7778 3.0183 3.0183 3.0875 3.0875 3.1760 3.1760 3.3864 3.3864 3.9315 3.9315 3.9586 3.9586 4.1178 4.1178 4.2455 4.2455 4.4145 4.4145 6.6713 6.6713 7.1245 7.1245 8.3245 8.3245 k =-0.1324 0.2889 1.0082 ( 16474 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2863 -21.2863 -21.2842 -21.2842 -11.1234 -11.1234 -11.0639 -11.0639 -9.4280 -9.4280 -9.4177 -9.4177 -6.0874 -6.0874 -6.0023 -6.0023 -5.3191 -5.3191 -5.2698 -5.2698 -5.0793 -5.0793 -5.0128 -5.0128 -0.7245 -0.7245 0.0257 0.0257 0.2644 0.2644 0.3113 0.3113 0.8461 0.8461 0.9608 0.9608 2.5539 2.5539 2.7870 2.7870 3.0078 3.0078 3.0808 3.0808 3.1710 3.1710 3.3775 3.3775 3.9162 3.9162 3.9557 3.9557 4.1176 4.1176 4.2512 4.2512 4.4131 4.4131 6.6452 6.6452 7.1528 7.1528 8.3684 8.3684 k =-0.1404 0.3063 0.9890 ( 16480 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2864 -21.2864 -21.2844 -21.2844 -11.1271 -11.1271 -11.0699 -11.0699 -9.4185 -9.4185 -9.4080 -9.4080 -6.0874 -6.0874 -6.0005 -6.0005 -5.3170 -5.3170 -5.2666 -5.2666 -5.0823 -5.0823 -5.0147 -5.0147 -0.7182 -0.7182 0.0339 0.0339 0.2533 0.2533 0.3071 0.3071 0.8273 0.8273 0.9323 0.9323 2.5705 2.5705 2.7967 2.7967 2.9976 2.9976 3.0749 3.0749 3.1653 3.1653 3.3680 3.3680 3.8967 3.8967 3.9565 3.9565 4.1171 4.1171 4.2565 4.2565 4.4116 4.4116 6.6191 6.6191 7.1777 7.1777 8.4200 8.4200 k =-0.1484 0.3238 0.9698 ( 16477 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2866 -21.2866 -21.2846 -21.2846 -11.1309 -11.1309 -11.0760 -11.0760 -9.4088 -9.4088 -9.3983 -9.3983 -6.0871 -6.0871 -5.9990 -5.9990 -5.3148 -5.3148 -5.2634 -5.2634 -5.0853 -5.0853 -5.0170 -5.0170 -0.7114 -0.7114 0.0428 0.0428 0.2432 0.2432 0.3028 0.3028 0.8073 0.8073 0.9021 0.9021 2.5870 2.5870 2.8067 2.8067 2.9877 2.9877 3.0701 3.0701 3.1593 3.1593 3.3581 3.3581 3.8764 3.8764 3.9590 3.9590 4.1168 4.1168 4.2619 4.2619 4.4110 4.4110 6.5931 6.5931 7.1991 7.1991 8.4793 8.4793 k =-0.1564 0.3412 0.9506 ( 16467 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2867 -21.2867 -21.2848 -21.2848 -11.1348 -11.1348 -11.0819 -11.0819 -9.3991 -9.3991 -9.3886 -9.3886 -6.0865 -6.0865 -5.9980 -5.9980 -5.3123 -5.3123 -5.2602 -5.2602 -5.0881 -5.0881 -5.0196 -5.0196 -0.7041 -0.7041 0.0525 0.0525 0.2341 0.2341 0.2985 0.2985 0.7860 0.7860 0.8705 0.8705 2.6033 2.6033 2.8171 2.8171 2.9784 2.9784 3.0662 3.0662 3.1529 3.1529 3.3478 3.3478 3.8566 3.8566 3.9622 3.9622 4.1172 4.1172 4.2672 4.2672 4.4108 4.4108 6.5674 6.5674 7.2174 7.2174 8.5459 8.5459 k =-0.1644 0.3586 0.9314 ( 16465 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2868 -21.2868 -21.2850 -21.2850 -11.1386 -11.1386 -11.0876 -11.0876 -9.3894 -9.3894 -9.3791 -9.3791 -6.0855 -6.0855 -5.9973 -5.9973 -5.3097 -5.3097 -5.2569 -5.2569 -5.0909 -5.0909 -5.0227 -5.0227 -0.6965 -0.6965 0.0628 0.0628 0.2265 0.2265 0.2943 0.2943 0.7636 0.7636 0.8376 0.8376 2.6192 2.6192 2.8276 2.8276 2.9696 2.9696 3.0636 3.0636 3.1462 3.1462 3.3370 3.3370 3.8371 3.8371 3.9653 3.9653 4.1170 4.1170 4.2719 4.2719 4.4107 4.4107 6.5422 6.5422 7.2324 7.2324 8.6191 8.6191 k =-0.1724 0.3761 0.9123 ( 16469 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2869 -21.2869 -21.2851 -21.2851 -11.1424 -11.1424 -11.0932 -11.0932 -9.3799 -9.3799 -9.3698 -9.3698 -6.0841 -6.0841 -5.9971 -5.9971 -5.3068 -5.3068 -5.2537 -5.2537 -5.0935 -5.0935 -5.0260 -5.0260 -0.6887 -0.6887 0.0739 0.0739 0.2203 0.2203 0.2902 0.2902 0.7402 0.7402 0.8037 0.8037 2.6345 2.6345 2.8380 2.8380 2.9617 2.9617 3.0621 3.0621 3.1390 3.1390 3.3260 3.3260 3.8185 3.8185 3.9680 3.9680 4.1167 4.1167 4.2759 4.2759 4.4105 4.4105 6.5176 6.5176 7.2444 7.2444 8.6981 8.6981 k =-0.1804 0.3935 0.8931 ( 16475 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2870 -21.2870 -21.2853 -21.2853 -11.1461 -11.1461 -11.0986 -11.0986 -9.3707 -9.3707 -9.3608 -9.3608 -6.0825 -6.0825 -5.9973 -5.9973 -5.3037 -5.3037 -5.2506 -5.2506 -5.0960 -5.0960 -5.0296 -5.0296 -0.6808 -0.6808 0.0857 0.0857 0.2160 0.2160 0.2863 0.2863 0.7158 0.7158 0.7689 0.7689 2.6492 2.6492 2.8482 2.8482 2.9546 2.9546 3.0619 3.0619 3.1317 3.1317 3.3146 3.3146 3.8006 3.8006 3.9708 3.9708 4.1163 4.1163 4.2790 4.2790 4.4106 4.4106 6.4938 6.4938 7.2540 7.2540 8.7821 8.7821 k =-0.1884 0.4109 0.8739 ( 16493 PWs) bands (ev): -67.3134 -67.3134 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2871 -21.2871 -21.2855 -21.2855 -11.1496 -11.1496 -11.1036 -11.1036 -9.3617 -9.3617 -9.3522 -9.3522 -6.0805 -6.0805 -5.9979 -5.9979 -5.3004 -5.3004 -5.2475 -5.2475 -5.0984 -5.0984 -5.0334 -5.0334 -0.6728 -0.6728 0.0982 0.0982 0.2135 0.2135 0.2827 0.2827 0.6907 0.6907 0.7336 0.7336 2.6630 2.6630 2.8581 2.8581 2.9486 2.9486 3.0630 3.0630 3.1243 3.1243 3.3029 3.3029 3.7827 3.7827 3.9734 3.9734 4.1150 4.1150 4.2819 4.2819 4.4108 4.4108 6.4710 6.4710 7.2609 7.2609 8.8702 8.8702 k =-0.1964 0.4284 0.8547 ( 16489 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2872 -21.2872 -21.2856 -21.2856 -11.1530 -11.1530 -11.1084 -11.1084 -9.3532 -9.3532 -9.3441 -9.3441 -6.0782 -6.0782 -5.9989 -5.9989 -5.2970 -5.2970 -5.2447 -5.2447 -5.1007 -5.1007 -5.0373 -5.0373 -0.6649 -0.6649 0.1114 0.1114 0.2130 0.2130 0.2796 0.2796 0.6649 0.6649 0.6981 0.6981 2.6759 2.6759 2.8672 2.8672 2.9441 2.9441 3.0653 3.0653 3.1168 3.1168 3.2910 3.2910 3.7673 3.7673 3.9769 3.9769 4.1150 4.1150 4.2849 4.2849 4.4115 4.4115 6.4494 6.4494 7.2668 7.2668 8.9613 8.9613 k =-0.2044 0.4458 0.8356 ( 16495 PWs) bands (ev): -67.3135 -67.3135 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2873 -21.2873 -21.2858 -21.2858 -11.1562 -11.1562 -11.1127 -11.1127 -9.3452 -9.3452 -9.3366 -9.3366 -6.0756 -6.0756 -6.0004 -6.0004 -5.2934 -5.2934 -5.2421 -5.2421 -5.1029 -5.1029 -5.0413 -5.0413 -0.6573 -0.6573 0.1249 0.1249 0.2146 0.2146 0.2772 0.2772 0.6385 0.6385 0.6627 0.6627 2.6877 2.6877 2.8751 2.8751 2.9412 2.9412 3.0686 3.0686 3.1096 3.1096 3.2788 3.2788 3.7529 3.7529 3.9796 3.9796 4.1142 4.1142 4.2872 4.2872 4.4122 4.4122 6.4292 6.4292 7.2712 7.2712 9.0542 9.0542 k =-0.2123 0.4632 0.8164 ( 16492 PWs) bands (ev): -67.3134 -67.3134 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2874 -21.2874 -21.2859 -21.2859 -11.1591 -11.1591 -11.1168 -11.1168 -9.3378 -9.3378 -9.3296 -9.3296 -6.0728 -6.0728 -6.0022 -6.0022 -5.2898 -5.2898 -5.2397 -5.2397 -5.1049 -5.1049 -5.0452 -5.0452 -0.6500 -0.6500 0.1388 0.1388 0.2185 0.2185 0.2757 0.2757 0.6112 0.6112 0.6283 0.6283 2.6983 2.6983 2.8814 2.8814 2.9406 2.9406 3.0726 3.0726 3.1031 3.1031 3.2664 3.2664 3.7399 3.7399 3.9825 3.9825 4.1140 4.1140 4.2895 4.2895 4.4138 4.4138 6.4105 6.4105 7.2744 7.2744 9.1477 9.1477 k =-0.2203 0.4807 0.7972 ( 16484 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2875 -21.2875 -21.2860 -21.2860 -11.1618 -11.1618 -11.1204 -11.1204 -9.3311 -9.3311 -9.3234 -9.3234 -6.0698 -6.0698 -6.0043 -6.0043 -5.2861 -5.2861 -5.2376 -5.2376 -5.1068 -5.1068 -5.0490 -5.0490 -0.6432 -0.6432 0.1525 0.1525 0.2246 0.2246 0.2753 0.2753 0.5821 0.5821 0.5963 0.5963 2.7078 2.7078 2.8859 2.8859 2.9422 2.9422 3.0758 3.0758 3.0988 3.0988 3.2538 3.2538 3.7282 3.7282 3.9858 3.9858 4.1139 4.1139 4.2916 4.2916 4.4156 4.4156 6.3935 6.3935 7.2768 7.2768 9.2404 9.2404 k =-0.2283 0.4981 0.7780 ( 16486 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2876 -21.2876 -21.2861 -21.2861 -11.1641 -11.1641 -11.1235 -11.1235 -9.3251 -9.3251 -9.3178 -9.3178 -6.0667 -6.0667 -6.0067 -6.0067 -5.2826 -5.2826 -5.2359 -5.2359 -5.1085 -5.1085 -5.0526 -5.0526 -0.6370 -0.6370 0.1656 0.1656 0.2328 0.2328 0.2765 0.2765 0.5506 0.5506 0.5681 0.5681 2.7159 2.7159 2.8884 2.8884 2.9458 2.9458 3.0754 3.0754 3.0993 3.0993 3.2411 3.2411 3.7179 3.7179 3.9880 3.9880 4.1135 4.1135 4.2930 4.2930 4.4169 4.4169 6.3783 6.3783 7.2785 7.2785 9.3305 9.3305 k =-0.2363 0.5155 0.7589 ( 16471 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2876 -21.2876 -21.2862 -21.2862 -11.1661 -11.1661 -11.1263 -11.1263 -9.3198 -9.3198 -9.3131 -9.3131 -6.0636 -6.0636 -6.0092 -6.0092 -5.2793 -5.2793 -5.2344 -5.2344 -5.1101 -5.1101 -5.0558 -5.0558 -0.6315 -0.6315 0.1776 0.1776 0.2429 0.2429 0.2798 0.2798 0.5184 0.5184 0.5428 0.5428 2.7228 2.7228 2.8895 2.8895 2.9511 2.9511 3.0712 3.0712 3.1050 3.1050 3.2282 3.2282 3.7093 3.7093 3.9909 3.9909 4.1139 4.1139 4.2947 4.2947 4.4190 4.4190 6.3653 6.3653 7.2798 7.2798 9.4159 9.4159 k =-0.2443 0.5330 0.7397 ( 16475 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2877 -21.2877 -21.2863 -21.2863 -11.1678 -11.1678 -11.1285 -11.1285 -9.3155 -9.3155 -9.3092 -9.3092 -6.0605 -6.0605 -6.0118 -6.0118 -5.2762 -5.2762 -5.2333 -5.2333 -5.1114 -5.1114 -5.0586 -5.0586 -0.6269 -0.6269 0.1875 0.1875 0.2545 0.2545 0.2854 0.2854 0.4871 0.4871 0.5197 0.5197 2.7284 2.7284 2.8897 2.8897 2.9570 2.9570 3.0654 3.0654 3.1134 3.1134 3.2154 3.2154 3.7019 3.7019 3.9929 3.9929 4.1137 4.1137 4.2951 4.2951 4.4199 4.4199 6.3543 6.3543 7.2806 7.2806 9.4941 9.4941 k =-0.2523 0.5504 0.7205 ( 16473 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2877 -21.2877 -21.2863 -21.2863 -11.1692 -11.1692 -11.1303 -11.1303 -9.3121 -9.3121 -9.3061 -9.3061 -6.0577 -6.0577 -6.0143 -6.0143 -5.2737 -5.2737 -5.2326 -5.2326 -5.1125 -5.1125 -5.0608 -5.0608 -0.6232 -0.6232 0.1951 0.1951 0.2666 0.2666 0.2937 0.2937 0.4579 0.4579 0.4996 0.4996 2.7327 2.7327 2.8895 2.8895 2.9628 2.9628 3.0598 3.0598 3.1231 3.1231 3.2027 3.2027 3.6962 3.6962 3.9941 3.9941 4.1136 4.1136 4.2957 4.2957 4.4214 4.4214 6.3457 6.3457 7.2811 7.2811 9.5616 9.5616 k =-0.2603 0.5678 0.7013 ( 16463 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2877 -21.2877 -21.2864 -21.2864 -11.1701 -11.1701 -11.1315 -11.1315 -9.3096 -9.3096 -9.3039 -9.3039 -6.0553 -6.0553 -6.0163 -6.0163 -5.2717 -5.2717 -5.2321 -5.2321 -5.1132 -5.1132 -5.0625 -5.0625 -0.6205 -0.6205 0.2003 0.2003 0.2777 0.2777 0.3042 0.3042 0.4322 0.4322 0.4833 0.4833 2.7357 2.7357 2.8892 2.8892 2.9679 2.9679 3.0551 3.0551 3.1334 3.1334 3.1906 3.1906 3.6921 3.6921 3.9960 3.9960 4.1134 4.1134 4.2966 4.2966 4.4229 4.4229 6.3395 6.3395 7.2815 7.2815 9.6146 9.6146 k =-0.2683 0.5853 0.6822 ( 16467 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2878 -21.2878 -21.2864 -21.2864 -11.1707 -11.1707 -11.1323 -11.1323 -9.3081 -9.3081 -9.3026 -9.3026 -6.0537 -6.0537 -6.0178 -6.0178 -5.2705 -5.2705 -5.2318 -5.2318 -5.1137 -5.1137 -5.0635 -5.0635 -0.6189 -0.6189 0.2031 0.2031 0.2855 0.2855 0.3145 0.3145 0.4126 0.4126 0.4724 0.4724 2.7376 2.7376 2.8889 2.8889 2.9713 2.9713 3.0518 3.0518 3.1430 3.1430 3.1799 3.1799 3.6896 3.6896 3.9965 3.9965 4.1131 4.1131 4.2965 4.2965 4.4233 4.4233 6.3357 6.3357 7.2816 7.2816 9.6487 9.6487 k =-0.2763 0.6027 0.6630 ( 16472 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2878 -21.2878 -21.2864 -21.2864 -11.1709 -11.1709 -11.1326 -11.1326 -9.3076 -9.3076 -9.3021 -9.3021 -6.0531 -6.0531 -6.0183 -6.0183 -5.2700 -5.2700 -5.2317 -5.2317 -5.1139 -5.1139 -5.0638 -5.0638 -0.6184 -0.6184 0.2040 0.2040 0.2883 0.2883 0.3193 0.3193 0.4048 0.4048 0.4686 0.4686 2.7382 2.7382 2.8888 2.8888 2.9725 2.9725 3.0506 3.0506 3.1479 3.1479 3.1747 3.1747 3.6888 3.6888 3.9962 3.9962 4.1129 4.1129 4.2963 4.2963 4.4234 4.4234 6.3345 6.3345 7.2816 7.2816 9.6605 9.6605 k =-0.2763 0.6027 0.6630 ( 16472 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2878 -21.2878 -21.2864 -21.2864 -11.1709 -11.1709 -11.1326 -11.1326 -9.3076 -9.3076 -9.3021 -9.3021 -6.0531 -6.0531 -6.0183 -6.0183 -5.2700 -5.2700 -5.2317 -5.2317 -5.1139 -5.1139 -5.0638 -5.0638 -0.6184 -0.6184 0.2040 0.2040 0.2883 0.2883 0.3193 0.3193 0.4048 0.4048 0.4686 0.4686 2.7382 2.7382 2.8888 2.8888 2.9725 2.9725 3.0506 3.0506 3.1479 3.1479 3.1747 3.1747 3.6888 3.6888 3.9962 3.9962 4.1129 4.1129 4.2963 4.2963 4.4234 4.4234 6.3345 6.3345 7.2816 7.2816 9.6605 9.6605 k =-0.2684 0.5855 0.6440 ( 16456 PWs) bands (ev): -67.3126 -67.3126 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2880 -21.2880 -21.2861 -21.2861 -11.1779 -11.1779 -11.1236 -11.1236 -9.3110 -9.3110 -9.3036 -9.3036 -6.0510 -6.0510 -6.0199 -6.0199 -5.2698 -5.2698 -5.2320 -5.2320 -5.1086 -5.1086 -5.0674 -5.0674 -0.6120 -0.6120 0.2023 0.2023 0.2772 0.2772 0.3290 0.3290 0.4203 0.4203 0.4447 0.4447 2.7552 2.7552 2.9035 2.9035 2.9567 2.9567 3.0342 3.0342 3.1406 3.1406 3.1876 3.1876 3.6895 3.6895 3.9972 3.9972 4.1209 4.1209 4.3024 4.3024 4.4255 4.4255 6.3095 6.3095 7.2900 7.2900 9.6740 9.6740 k =-0.2605 0.5682 0.6251 ( 16462 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2883 -21.2883 -21.2857 -21.2857 -11.1852 -11.1852 -11.1147 -11.1147 -9.3138 -9.3138 -9.3044 -9.3044 -6.0492 -6.0492 -6.0213 -6.0213 -5.2698 -5.2698 -5.2320 -5.2320 -5.1038 -5.1038 -5.0713 -5.0713 -0.6051 -0.6051 0.2008 0.2008 0.2660 0.2660 0.3397 0.3397 0.4136 0.4136 0.4441 0.4441 2.7720 2.7720 2.9160 2.9160 2.9410 2.9410 3.0173 3.0173 3.1306 3.1306 3.2010 3.2010 3.6891 3.6891 3.9966 3.9966 4.1249 4.1249 4.3079 4.3079 4.4277 4.4277 6.2908 6.2908 7.3000 7.3000 9.6823 9.6823 k =-0.2526 0.5510 0.6062 ( 16460 PWs) bands (ev): -67.3127 -67.3127 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2886 -21.2886 -21.2854 -21.2854 -11.1928 -11.1928 -11.1060 -11.1060 -9.3159 -9.3159 -9.3045 -9.3045 -6.0481 -6.0481 -6.0221 -6.0221 -5.2700 -5.2700 -5.2315 -5.2315 -5.0993 -5.0993 -5.0758 -5.0758 -0.5978 -0.5978 0.1994 0.1994 0.2549 0.2549 0.3510 0.3510 0.3905 0.3905 0.4614 0.4614 2.7888 2.7888 2.9243 2.9243 2.9274 2.9274 2.9999 2.9999 3.1179 3.1179 3.2148 3.2148 3.6876 3.6876 3.9963 3.9963 4.1265 4.1265 4.3157 4.3157 4.4301 4.4301 6.2783 6.2783 7.3112 7.3112 9.6848 9.6848 k =-0.2447 0.5338 0.5872 ( 16468 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2889 -21.2889 -21.2851 -21.2851 -11.2005 -11.2005 -11.0976 -11.0976 -9.3173 -9.3173 -9.3038 -9.3038 -6.0478 -6.0478 -6.0223 -6.0223 -5.2705 -5.2705 -5.2307 -5.2307 -5.0953 -5.0953 -5.0807 -5.0807 -0.5900 -0.5900 0.1978 0.1978 0.2440 0.2440 0.3628 0.3628 0.3677 0.3677 0.4800 0.4800 2.8055 2.8055 2.9092 2.9092 2.9347 2.9347 2.9821 2.9821 3.1027 3.1027 3.2290 3.2290 3.6843 3.6843 3.9955 3.9955 4.1277 4.1277 4.3220 4.3220 4.4321 4.4321 6.2720 6.2720 7.3237 7.3237 9.6814 9.6814 k =-0.2368 0.5166 0.5683 ( 16484 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2892 -21.2892 -21.2848 -21.2848 -11.2085 -11.2085 -11.0893 -11.0893 -9.3180 -9.3180 -9.3025 -9.3025 -6.0482 -6.0482 -6.0218 -6.0218 -5.2712 -5.2712 -5.2296 -5.2296 -5.0918 -5.0918 -5.0859 -5.0859 -0.5819 -0.5819 0.1957 0.1957 0.2333 0.2333 0.3465 0.3465 0.3753 0.3753 0.4990 0.4990 2.8220 2.8220 2.8934 2.8934 2.9395 2.9395 2.9648 2.9648 3.0850 3.0850 3.2436 3.2436 3.6804 3.6804 3.9954 3.9954 4.1250 4.1250 4.3282 4.3282 4.4335 4.4335 6.2716 6.2716 7.3379 7.3379 9.6719 9.6719 k =-0.2289 0.4994 0.5493 ( 16486 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2896 -21.2896 -21.2845 -21.2845 -11.2166 -11.2166 -11.0814 -11.0814 -9.3182 -9.3182 -9.3004 -9.3004 -6.0494 -6.0494 -6.0207 -6.0207 -5.2721 -5.2721 -5.2281 -5.2281 -5.0918 -5.0918 -5.0885 -5.0885 -0.5733 -0.5733 0.1923 0.1923 0.2228 0.2228 0.3282 0.3282 0.3881 0.3881 0.5180 0.5180 2.8382 2.8382 2.8779 2.8779 2.9360 2.9360 2.9533 2.9533 3.0652 3.0652 3.2585 3.2585 3.6757 3.6757 3.9952 3.9952 4.1216 4.1216 4.3351 4.3351 4.4360 4.4360 6.2767 6.2767 7.3537 7.3537 9.6567 9.6567 k =-0.2210 0.4821 0.5304 ( 16490 PWs) bands (ev): -67.3134 -67.3134 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2899 -21.2899 -21.2843 -21.2843 -11.2248 -11.2248 -11.0737 -11.0737 -9.3177 -9.3177 -9.2975 -9.2975 -6.0511 -6.0511 -6.0192 -6.0192 -5.2730 -5.2730 -5.2265 -5.2265 -5.0979 -5.0979 -5.0859 -5.0859 -0.5643 -0.5643 0.1868 0.1868 0.2130 0.2130 0.3133 0.3133 0.4014 0.4014 0.5368 0.5368 2.8532 2.8532 2.8627 2.8627 2.9201 2.9201 2.9521 2.9521 3.0438 3.0438 3.2737 3.2737 3.6704 3.6704 3.9951 3.9951 4.1157 4.1157 4.3421 4.3421 4.4386 4.4386 6.2868 6.2868 7.3711 7.3711 9.6361 9.6361 k =-0.2131 0.4649 0.5114 ( 16478 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2903 -21.2903 -21.2840 -21.2840 -11.2332 -11.2332 -11.0664 -11.0664 -9.3168 -9.3168 -9.2939 -9.2939 -6.0531 -6.0531 -6.0175 -6.0175 -5.2740 -5.2740 -5.2247 -5.2247 -5.1045 -5.1045 -5.0837 -5.0837 -0.5549 -0.5549 0.1782 0.1782 0.2044 0.2044 0.3025 0.3025 0.4150 0.4150 0.5553 0.5553 2.8463 2.8463 2.8670 2.8670 2.9020 2.9020 2.9520 2.9520 3.0217 3.0217 3.2892 3.2892 3.6646 3.6646 3.9957 3.9957 4.1097 4.1097 4.3500 4.3500 4.4412 4.4412 6.3010 6.3010 7.3906 7.3906 9.6109 9.6109 k =-0.2052 0.4477 0.4925 ( 16486 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2907 -21.2907 -21.2838 -21.2838 -11.2415 -11.2415 -11.0595 -11.0595 -9.3153 -9.3153 -9.2894 -9.2894 -6.0553 -6.0553 -6.0157 -6.0157 -5.2749 -5.2749 -5.2228 -5.2228 -5.1114 -5.1114 -5.0820 -5.0820 -0.5453 -0.5453 0.1666 0.1666 0.1972 0.1972 0.2955 0.2955 0.4289 0.4289 0.5732 0.5732 2.8304 2.8304 2.8695 2.8695 2.8909 2.8909 2.9494 2.9494 3.0015 3.0015 3.3049 3.3049 3.6578 3.6578 3.9954 3.9954 4.1006 4.1006 4.3569 4.3569 4.4440 4.4440 6.3185 6.3185 7.4119 7.4119 9.5815 9.5815 k =-0.1973 0.4305 0.4736 ( 16478 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2911 -21.2911 -21.2836 -21.2836 -11.2499 -11.2499 -11.0529 -11.0529 -9.3133 -9.3133 -9.2843 -9.2843 -6.0577 -6.0577 -6.0139 -6.0139 -5.2757 -5.2757 -5.2208 -5.2208 -5.1187 -5.1187 -5.0807 -5.0807 -0.5352 -0.5352 0.1531 0.1531 0.1908 0.1908 0.2919 0.2919 0.4432 0.4432 0.5905 0.5905 2.8136 2.8136 2.8540 2.8540 2.8927 2.8927 2.9412 2.9412 2.9894 2.9894 3.3207 3.3207 3.6509 3.6509 3.9951 3.9951 4.0932 4.0932 4.3646 4.3646 4.4461 4.4461 6.3385 6.3385 7.4360 7.4360 9.5489 9.5489 k =-0.1894 0.4133 0.4546 ( 16458 PWs) bands (ev): -67.3126 -67.3126 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2915 -21.2915 -21.2834 -21.2834 -11.2583 -11.2583 -11.0467 -11.0467 -9.3109 -9.3109 -9.2783 -9.2783 -6.0600 -6.0600 -6.0123 -6.0123 -5.2763 -5.2763 -5.2189 -5.2189 -5.1263 -5.1263 -5.0799 -5.0799 -0.5249 -0.5249 0.1388 0.1388 0.1850 0.1850 0.2910 0.2910 0.4576 0.4576 0.6070 0.6070 2.7957 2.7957 2.8350 2.8350 2.8892 2.8892 2.9270 2.9270 2.9902 2.9902 3.3367 3.3367 3.6437 3.6437 3.9955 3.9955 4.0849 4.0849 4.3727 4.3727 4.4495 4.4495 6.3602 6.3602 7.4630 7.4630 9.5137 9.5137 k =-0.1815 0.3960 0.4357 ( 16462 PWs) bands (ev): -67.3127 -67.3127 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2919 -21.2919 -21.2833 -21.2833 -11.2666 -11.2666 -11.0409 -11.0409 -9.3082 -9.3082 -9.2717 -9.2717 -6.0623 -6.0623 -6.0109 -6.0109 -5.2768 -5.2768 -5.2169 -5.2169 -5.1342 -5.1342 -5.0796 -5.0796 -0.5144 -0.5144 0.1246 0.1246 0.1796 0.1796 0.2920 0.2920 0.4723 0.4723 0.6225 0.6225 2.7756 2.7756 2.8161 2.8161 2.8728 2.8728 2.9148 2.9148 3.0006 3.0006 3.3528 3.3528 3.6356 3.6356 3.9946 3.9946 4.0756 4.0756 4.3795 4.3795 4.4521 4.4521 6.3822 6.3822 7.4931 7.4931 9.4765 9.4765 k =-0.1737 0.3788 0.4167 ( 16472 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2923 -21.2923 -21.2831 -21.2831 -11.2748 -11.2748 -11.0356 -11.0356 -9.3052 -9.3052 -9.2644 -9.2644 -6.0645 -6.0645 -6.0097 -6.0097 -5.2769 -5.2769 -5.2149 -5.2149 -5.1424 -5.1424 -5.0798 -5.0798 -0.5035 -0.5035 0.1110 0.1110 0.1744 0.1744 0.2944 0.2944 0.4870 0.4870 0.6370 0.6370 2.7533 2.7533 2.7977 2.7977 2.8477 2.8477 2.9048 2.9048 3.0162 3.0162 3.3689 3.3689 3.6267 3.6267 3.9940 3.9940 4.0674 4.0674 4.3849 4.3849 4.4540 4.4540 6.4039 6.4039 7.5270 7.5270 9.4381 9.4381 k =-0.1658 0.3616 0.3978 ( 16469 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2927 -21.2927 -21.2830 -21.2830 -11.2829 -11.2829 -11.0306 -11.0306 -9.3018 -9.3018 -9.2565 -9.2565 -6.0666 -6.0666 -6.0088 -6.0088 -5.2768 -5.2768 -5.2131 -5.2131 -5.1507 -5.1507 -5.0804 -5.0804 -0.4925 -0.4925 0.0986 0.0986 0.1697 0.1697 0.2978 0.2978 0.5017 0.5017 0.6503 0.6503 2.7290 2.7290 2.7784 2.7784 2.8210 2.8210 2.8947 2.8947 3.0350 3.0350 3.3849 3.3849 3.6184 3.6184 3.9923 3.9923 4.0599 4.0599 4.3917 4.3917 4.4566 4.4566 6.4245 6.4245 7.5651 7.5651 9.3988 9.3988 k =-0.1579 0.3444 0.3788 ( 16475 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2931 -21.2931 -21.2829 -21.2829 -11.2908 -11.2908 -11.0260 -11.0260 -9.2983 -9.2983 -9.2479 -9.2479 -6.0685 -6.0685 -6.0082 -6.0082 -5.2763 -5.2763 -5.2113 -5.2113 -5.1592 -5.1592 -5.0815 -5.0815 -0.4813 -0.4813 0.0876 0.0876 0.1653 0.1653 0.3017 0.3017 0.5164 0.5164 0.6625 0.6625 2.7029 2.7029 2.7553 2.7553 2.7975 2.7975 2.8832 2.8832 3.0555 3.0555 3.4008 3.4008 3.6104 3.6104 3.9893 3.9893 4.0531 4.0531 4.3976 4.3976 4.4590 4.4590 6.4431 6.4431 7.6080 7.6080 9.3593 9.3593 k =-0.1500 0.3272 0.3599 ( 16473 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2935 -21.2935 -21.2827 -21.2827 -11.2985 -11.2985 -11.0219 -11.0219 -9.2946 -9.2946 -9.2389 -9.2389 -6.0703 -6.0703 -6.0080 -6.0080 -5.2755 -5.2755 -5.2096 -5.2096 -5.1678 -5.1678 -5.0831 -5.0831 -0.4699 -0.4699 0.0782 0.0782 0.1614 0.1614 0.3061 0.3061 0.5310 0.5310 0.6735 0.6735 2.6753 2.6753 2.7271 2.7271 2.7795 2.7795 2.8707 2.8707 3.0773 3.0773 3.4165 3.4165 3.6021 3.6021 3.9860 3.9860 4.0485 4.0485 4.4037 4.4037 4.4618 4.4618 6.4594 6.4594 7.6553 7.6553 9.3200 9.3200 k =-0.1421 0.3100 0.3410 ( 16467 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2939 -21.2939 -21.2827 -21.2827 -11.3060 -11.3060 -11.0181 -11.0181 -9.2908 -9.2908 -9.2295 -9.2295 -6.0719 -6.0719 -6.0081 -6.0081 -5.2743 -5.2743 -5.2081 -5.2081 -5.1764 -5.1764 -5.0851 -5.0851 -0.4585 -0.4585 0.0705 0.0705 0.1578 0.1578 0.3106 0.3106 0.5453 0.5453 0.6833 0.6833 2.6463 2.6463 2.6957 2.6957 2.7656 2.7656 2.8573 2.8573 3.0998 3.0998 3.4319 3.4319 3.5943 3.5943 3.9821 3.9821 4.0457 4.0457 4.4098 4.4098 4.4647 4.4647 6.4728 6.4728 7.7078 7.7078 9.2812 9.2812 k =-0.1342 0.2927 0.3220 ( 16473 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2943 -21.2943 -21.2826 -21.2826 -11.3133 -11.3133 -11.0147 -11.0147 -9.2869 -9.2869 -9.2197 -9.2197 -6.0732 -6.0732 -6.0086 -6.0086 -5.2727 -5.2727 -5.2068 -5.2068 -5.1848 -5.1848 -5.0875 -5.0875 -0.4470 -0.4470 0.0644 0.0644 0.1547 0.1547 0.3150 0.3150 0.5593 0.5593 0.6919 0.6919 2.6161 2.6161 2.6632 2.6632 2.7540 2.7540 2.8431 2.8431 3.1227 3.1227 3.4467 3.4467 3.5873 3.5873 3.9766 3.9766 4.0430 4.0430 4.4151 4.4151 4.4676 4.4676 6.4831 6.4831 7.7651 7.7651 9.2432 9.2432 k =-0.1263 0.2755 0.3031 ( 16479 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2947 -21.2947 -21.2825 -21.2825 -11.3203 -11.3203 -11.0117 -11.0117 -9.2830 -9.2830 -9.2096 -9.2096 -6.0744 -6.0744 -6.0095 -6.0095 -5.2707 -5.2707 -5.2062 -5.2062 -5.1926 -5.1926 -5.0904 -5.0904 -0.4355 -0.4355 0.0601 0.0601 0.1520 0.1520 0.3192 0.3192 0.5730 0.5730 0.6994 0.6994 2.5846 2.5846 2.6309 2.6309 2.7440 2.7440 2.8283 2.8283 3.1457 3.1457 3.4609 3.4609 3.5815 3.5815 3.9707 3.9707 4.0414 4.0414 4.4200 4.4200 4.4704 4.4704 6.4904 6.4904 7.8272 7.8272 9.2063 9.2063 k =-0.1184 0.2583 0.2841 ( 16479 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2950 -21.2950 -21.2824 -21.2824 -11.3270 -11.3270 -11.0090 -11.0090 -9.2791 -9.2791 -9.1994 -9.1994 -6.0754 -6.0754 -6.0107 -6.0107 -5.2683 -5.2683 -5.2079 -5.2079 -5.1981 -5.1981 -5.0938 -5.0938 -0.4240 -0.4240 0.0575 0.0575 0.1497 0.1497 0.3231 0.3231 0.5861 0.5861 0.7059 0.7059 2.5523 2.5523 2.5994 2.5994 2.7349 2.7349 2.8135 2.8135 3.1684 3.1684 3.4740 3.4740 3.5769 3.5769 3.9655 3.9655 4.0410 4.0410 4.4250 4.4250 4.4731 4.4731 6.4950 6.4950 7.8938 7.8938 9.1707 9.1707 k =-0.1105 0.2411 0.2652 ( 16509 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2954 -21.2954 -21.2824 -21.2824 -11.3333 -11.3333 -11.0066 -11.0066 -9.2753 -9.2753 -9.1892 -9.1892 -6.0761 -6.0761 -6.0123 -6.0123 -5.2655 -5.2655 -5.2136 -5.2136 -5.1995 -5.1995 -5.0975 -5.0975 -0.4128 -0.4128 0.0566 0.0566 0.1477 0.1477 0.3266 0.3266 0.5987 0.5987 0.7114 0.7114 2.5193 2.5193 2.5691 2.5691 2.7263 2.7263 2.7984 2.7984 3.1905 3.1905 3.4858 3.4858 3.5733 3.5733 3.9593 3.9593 4.0397 4.0397 4.4287 4.4287 4.4745 4.4745 6.4960 6.4960 7.9644 7.9644 9.1367 9.1367 k =-0.1026 0.2239 0.2463 ( 16503 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4850 -38.4850 -38.2894 -38.2894 -21.2957 -21.2957 -21.2824 -21.2824 -11.3393 -11.3393 -11.0045 -11.0045 -9.2716 -9.2716 -9.1790 -9.1790 -6.0766 -6.0766 -6.0143 -6.0143 -5.2623 -5.2623 -5.2209 -5.2209 -5.1991 -5.1991 -5.1017 -5.1017 -0.4016 -0.4016 0.0571 0.0571 0.1462 0.1462 0.3295 0.3295 0.6105 0.6105 0.7162 0.7162 2.4864 2.4864 2.5400 2.5400 2.7189 2.7189 2.7838 2.7838 3.2118 3.2118 3.4959 3.4959 3.5734 3.5734 3.9542 3.9542 4.0405 4.0405 4.4332 4.4332 4.4775 4.4775 6.4956 6.4956 8.0390 8.0390 9.1044 9.1044 k =-0.0947 0.2066 0.2273 ( 16509 PWs) bands (ev): -67.3137 -67.3137 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2961 -21.2961 -21.2823 -21.2823 -11.3450 -11.3450 -11.0027 -11.0027 -9.2680 -9.2680 -9.1690 -9.1690 -6.0768 -6.0768 -6.0166 -6.0166 -5.2589 -5.2589 -5.2282 -5.2282 -5.1983 -5.1983 -5.1062 -5.1062 -0.3908 -0.3908 0.0591 0.0591 0.1451 0.1451 0.3318 0.3318 0.6216 0.6216 0.7203 0.7203 2.4539 2.4539 2.5121 2.5121 2.7121 2.7121 2.7696 2.7696 3.2318 3.2318 3.5039 3.5039 3.5757 3.5757 3.9487 3.9487 4.0411 4.0411 4.4373 4.4373 4.4801 4.4801 6.4927 6.4927 8.1166 8.1166 9.0741 9.0741 k =-0.0868 0.1894 0.2084 ( 16493 PWs) bands (ev): -67.3134 -67.3134 -39.4052 -39.4052 -38.4850 -38.4850 -38.2894 -38.2894 -21.2964 -21.2964 -21.2823 -21.2823 -11.3502 -11.3502 -11.0012 -11.0012 -9.2645 -9.2645 -9.1592 -9.1592 -6.0768 -6.0768 -6.0191 -6.0191 -5.2553 -5.2553 -5.2350 -5.2350 -5.1974 -5.1974 -5.1111 -5.1111 -0.3803 -0.3803 0.0622 0.0622 0.1445 0.1445 0.3335 0.3335 0.6317 0.6317 0.7238 0.7238 2.4224 2.4224 2.4856 2.4856 2.7060 2.7060 2.7563 2.7563 3.2504 3.2504 3.5101 3.5101 3.5808 3.5808 3.9449 3.9449 4.0428 4.0428 4.4421 4.4421 4.4832 4.4832 6.4887 6.4887 8.1968 8.1968 9.0457 9.0457 k =-0.0789 0.1722 0.1894 ( 16489 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2967 -21.2967 -21.2823 -21.2823 -11.3551 -11.3551 -10.9999 -10.9999 -9.2613 -9.2613 -9.1498 -9.1498 -6.0766 -6.0766 -6.0219 -6.0219 -5.2526 -5.2526 -5.2402 -5.2402 -5.1966 -5.1966 -5.1163 -5.1163 -0.3703 -0.3703 0.0662 0.0662 0.1444 0.1444 0.3345 0.3345 0.6408 0.6408 0.7270 0.7270 2.3923 2.3923 2.4605 2.4605 2.7002 2.7002 2.7435 2.7435 3.2670 3.2670 3.5149 3.5149 3.5878 3.5878 3.9417 3.9417 4.0449 4.0449 4.4453 4.4453 4.4853 4.4853 6.4832 6.4832 8.2789 8.2789 9.0195 9.0195 k =-0.0710 0.1550 0.1705 ( 16493 PWs) bands (ev): -67.3134 -67.3134 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2969 -21.2969 -21.2823 -21.2823 -11.3595 -11.3595 -10.9988 -10.9988 -9.2583 -9.2583 -9.1410 -9.1410 -6.0761 -6.0761 -6.0250 -6.0250 -5.2536 -5.2536 -5.2409 -5.2409 -5.1958 -5.1958 -5.1219 -5.1219 -0.3608 -0.3608 0.0708 0.0708 0.1447 0.1447 0.3347 0.3347 0.6488 0.6488 0.7299 0.7299 2.3639 2.3639 2.4369 2.4369 2.6951 2.6951 2.7313 2.7313 3.2816 3.2816 3.5189 3.5189 3.5962 3.5962 3.9387 3.9387 4.0459 4.0459 4.4476 4.4476 4.4870 4.4870 6.4768 6.4768 8.3620 8.3620 8.9956 8.9956 k =-0.0631 0.1378 0.1515 ( 16485 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2972 -21.2972 -21.2823 -21.2823 -11.3635 -11.3635 -10.9978 -10.9978 -9.2555 -9.2555 -9.1327 -9.1327 -6.0754 -6.0754 -6.0281 -6.0281 -5.2580 -5.2580 -5.2373 -5.2373 -5.1950 -5.1950 -5.1277 -5.1277 -0.3520 -0.3520 0.0759 0.0759 0.1457 0.1457 0.3342 0.3342 0.6557 0.6557 0.7327 0.7327 2.3376 2.3376 2.4151 2.4151 2.6906 2.6906 2.7203 2.7203 3.2941 3.2941 3.5228 3.5228 3.6051 3.6051 3.9367 3.9367 4.0471 4.0471 4.4505 4.4505 4.4895 4.4895 6.4700 6.4700 8.4450 8.4450 8.9740 8.9740 k =-0.0553 0.1205 0.1326 ( 16469 PWs) bands (ev): -67.3128 -67.3128 -39.4051 -39.4051 -38.4849 -38.4849 -38.2893 -38.2893 -21.2974 -21.2974 -21.2823 -21.2823 -11.3671 -11.3671 -10.9971 -10.9971 -9.2530 -9.2530 -9.1251 -9.1251 -6.0744 -6.0744 -6.0314 -6.0314 -5.2629 -5.2629 -5.2324 -5.2324 -5.1943 -5.1943 -5.1338 -5.1338 -0.3439 -0.3439 0.0809 0.0809 0.1473 0.1473 0.3331 0.3331 0.6614 0.6614 0.7353 0.7353 2.3137 2.3137 2.3953 2.3953 2.6870 2.6870 2.7104 2.7104 3.3046 3.3046 3.5269 3.5269 3.6141 3.6141 3.9347 3.9347 4.0488 4.0488 4.4534 4.4534 4.4923 4.4923 6.4633 6.4633 8.5268 8.5268 8.9549 8.9549 k =-0.0474 0.1033 0.1137 ( 16489 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2976 -21.2976 -21.2823 -21.2823 -11.3702 -11.3702 -10.9964 -10.9964 -9.2508 -9.2508 -9.1184 -9.1184 -6.0733 -6.0733 -6.0347 -6.0347 -5.2675 -5.2675 -5.2270 -5.2270 -5.1936 -5.1936 -5.1400 -5.1400 -0.3369 -0.3369 0.0856 0.0856 0.1495 0.1495 0.3315 0.3315 0.6661 0.6661 0.7378 0.7378 2.2925 2.2925 2.3776 2.3776 2.6835 2.6835 2.7014 2.7014 3.3122 3.3122 3.5309 3.5309 3.6225 3.6225 3.9325 3.9325 4.0483 4.0483 4.4548 4.4548 4.4936 4.4936 6.4557 6.4557 8.6057 8.6057 8.9384 8.9384 k =-0.0395 0.0861 0.0947 ( 16487 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2978 -21.2978 -21.2823 -21.2823 -11.3729 -11.3729 -10.9959 -10.9959 -9.2489 -9.2489 -9.1125 -9.1125 -6.0719 -6.0719 -6.0379 -6.0379 -5.2715 -5.2715 -5.2214 -5.2214 -5.1928 -5.1928 -5.1464 -5.1464 -0.3307 -0.3307 0.0898 0.0898 0.1522 0.1522 0.3296 0.3296 0.6697 0.6697 0.7401 0.7401 2.2741 2.2741 2.3622 2.3622 2.6805 2.6805 2.6941 2.6941 3.3186 3.3186 3.5350 3.5350 3.6303 3.6303 3.9306 3.9306 4.0491 4.0491 4.4567 4.4567 4.4954 4.4954 6.4493 6.4493 8.6797 8.6797 8.9247 8.9247 k =-0.0316 0.0689 0.0758 ( 16505 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4850 -38.4850 -38.2894 -38.2894 -21.2979 -21.2979 -21.2823 -21.2823 -11.3750 -11.3750 -10.9956 -10.9956 -9.2474 -9.2474 -9.1076 -9.1076 -6.0704 -6.0704 -6.0410 -6.0410 -5.2749 -5.2749 -5.2158 -5.2158 -5.1918 -5.1918 -5.1529 -5.1529 -0.3255 -0.3255 0.0932 0.0932 0.1551 0.1551 0.3274 0.3274 0.6724 0.6724 0.7422 0.7422 2.2588 2.2588 2.3494 2.3494 2.6778 2.6778 2.6878 2.6878 3.3231 3.3231 3.5388 3.5388 3.6371 3.6371 3.9288 3.9288 4.0487 4.0487 4.4572 4.4572 4.4959 4.4959 6.4434 6.4434 8.7463 8.7463 8.9139 8.9139 k =-0.0237 0.0517 0.0568 ( 16513 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2980 -21.2980 -21.2823 -21.2823 -11.3767 -11.3767 -10.9953 -10.9953 -9.2461 -9.2461 -9.1037 -9.1037 -6.0689 -6.0689 -6.0438 -6.0438 -5.2776 -5.2776 -5.2107 -5.2107 -5.1905 -5.1905 -5.1594 -5.1594 -0.3213 -0.3213 0.0957 0.0957 0.1580 0.1580 0.3254 0.3254 0.6744 0.6744 0.7440 0.7440 2.2467 2.2467 2.3392 2.3392 2.6755 2.6755 2.6832 2.6832 3.3262 3.3262 3.5420 3.5420 3.6425 3.6425 3.9272 3.9272 4.0499 4.0499 4.4576 4.4576 4.4964 4.4964 6.4387 6.4387 8.8019 8.8019 8.9068 8.9068 k =-0.0158 0.0344 0.0379 ( 16517 PWs) bands (ev): -67.3139 -67.3139 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2981 -21.2981 -21.2823 -21.2823 -11.3780 -11.3780 -10.9951 -10.9951 -9.2453 -9.2453 -9.1009 -9.1009 -6.0675 -6.0675 -6.0462 -6.0462 -5.2795 -5.2795 -5.2065 -5.2065 -5.1884 -5.1884 -5.1656 -5.1656 -0.3184 -0.3184 0.0976 0.0976 0.1605 0.1605 0.3237 0.3237 0.6757 0.6757 0.7453 0.7453 2.2380 2.2380 2.3319 2.3319 2.6737 2.6737 2.6801 2.6801 3.3282 3.3282 3.5446 3.5446 3.6466 3.6466 3.9264 3.9264 4.0500 4.0500 4.4583 4.4583 4.4971 4.4971 6.4350 6.4350 8.8419 8.8419 8.9050 8.9050 k =-0.0079 0.0172 0.0189 ( 16519 PWs) bands (ev): -67.3139 -67.3139 -39.4053 -39.4053 -38.4851 -38.4851 -38.2895 -38.2895 -21.2981 -21.2981 -21.2823 -21.2823 -11.3787 -11.3787 -10.9950 -10.9950 -9.2447 -9.2447 -9.0992 -9.0992 -6.0664 -6.0664 -6.0478 -6.0478 -5.2806 -5.2806 -5.2038 -5.2038 -5.1856 -5.1856 -5.1712 -5.1712 -0.3166 -0.3166 0.0986 0.0986 0.1622 0.1622 0.3225 0.3225 0.6764 0.6764 0.7462 0.7462 2.2328 2.2328 2.3274 2.3274 2.6725 2.6725 2.6785 2.6785 3.3293 3.3293 3.5462 3.5462 3.6491 3.6491 3.9258 3.9258 4.0498 4.0498 4.4591 4.4591 4.4978 4.4978 6.4326 6.4326 8.8619 8.8619 8.9095 8.9095 k = 0.0000 0.0000 0.0000 ( 16487 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2982 -21.2982 -21.2823 -21.2823 -11.3789 -11.3789 -10.9949 -10.9949 -9.2445 -9.2445 -9.0986 -9.0986 -6.0660 -6.0660 -6.0484 -6.0484 -5.2810 -5.2810 -5.2029 -5.2029 -5.1836 -5.1836 -5.1740 -5.1740 -0.3158 -0.3158 0.0990 0.0990 0.1628 0.1628 0.3221 0.3221 0.6766 0.6766 0.7464 0.7464 2.2310 2.2310 2.3259 2.3259 2.6723 2.6723 2.6783 2.6783 3.3299 3.3299 3.5467 3.5467 3.6499 3.6499 3.9274 3.9274 4.0524 4.0524 4.4602 4.4602 4.4989 4.4989 6.4325 6.4325 8.8667 8.8667 8.9131 8.9131 k = 0.0000 0.0000 0.0000 ( 16487 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2982 -21.2982 -21.2823 -21.2823 -11.3789 -11.3789 -10.9949 -10.9949 -9.2445 -9.2445 -9.0986 -9.0986 -6.0660 -6.0660 -6.0484 -6.0484 -5.2810 -5.2810 -5.2029 -5.2029 -5.1836 -5.1836 -5.1740 -5.1740 -0.3158 -0.3158 0.0990 0.0990 0.1628 0.1628 0.3221 0.3221 0.6766 0.6766 0.7464 0.7464 2.2310 2.2310 2.3259 2.3259 2.6723 2.6723 2.6783 2.6783 3.3299 3.3299 3.5467 3.5467 3.6499 3.6499 3.9274 3.9274 4.0524 4.0524 4.4602 4.4602 4.4989 4.4989 6.4325 6.4325 8.8667 8.8667 8.9131 8.9131 k = 0.0238 0.0109-0.0000 ( 16511 PWs) bands (ev): -67.3137 -67.3137 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2981 -21.2981 -21.2823 -21.2823 -11.3786 -11.3786 -10.9954 -10.9954 -9.2443 -9.2443 -9.0986 -9.0986 -6.0660 -6.0660 -6.0484 -6.0484 -5.2811 -5.2811 -5.2041 -5.2041 -5.1822 -5.1822 -5.1740 -5.1740 -0.3180 -0.3180 0.0993 0.0993 0.1631 0.1631 0.3242 0.3242 0.6760 0.6760 0.7457 0.7457 2.2311 2.2311 2.3249 2.3249 2.6735 2.6735 2.6795 2.6795 3.3307 3.3307 3.5460 3.5460 3.6491 3.6491 3.9258 3.9258 4.0505 4.0505 4.4590 4.4590 4.4979 4.4979 6.4342 6.4342 8.8674 8.8674 8.9139 8.9139 k = 0.0476 0.0218-0.0000 ( 16515 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2895 -38.2895 -21.2981 -21.2981 -21.2823 -21.2823 -11.3777 -11.3777 -10.9968 -10.9968 -9.2437 -9.2437 -9.0986 -9.0986 -6.0661 -6.0661 -6.0486 -6.0486 -5.2813 -5.2813 -5.2072 -5.2072 -5.1789 -5.1789 -5.1738 -5.1738 -0.3239 -0.3239 0.1002 0.1002 0.1641 0.1641 0.3304 0.3304 0.6739 0.6739 0.7435 0.7435 2.2314 2.2314 2.3218 2.3218 2.6776 2.6776 2.6835 2.6835 3.3340 3.3340 3.5440 3.5440 3.6466 3.6466 3.9247 3.9247 4.0492 4.0492 4.4574 4.4574 4.4965 4.4965 6.4410 6.4410 8.8697 8.8697 8.9163 8.9163 k = 0.0714 0.0327-0.0000 ( 16507 PWs) bands (ev): -67.3137 -67.3137 -39.4052 -39.4052 -38.4850 -38.4850 -38.2895 -38.2895 -21.2980 -21.2980 -21.2824 -21.2824 -11.3761 -11.3761 -10.9991 -10.9991 -9.2427 -9.2427 -9.0986 -9.0986 -6.0663 -6.0663 -6.0487 -6.0487 -5.2815 -5.2815 -5.2110 -5.2110 -5.1745 -5.1745 -5.1735 -5.1735 -0.3332 -0.3332 0.1018 0.1018 0.1657 0.1657 0.3404 0.3404 0.6705 0.6705 0.7400 0.7400 2.2319 2.2319 2.3167 2.3167 2.6844 2.6844 2.6901 2.6901 3.3392 3.3392 3.5405 3.5405 3.6424 3.6424 3.9241 3.9241 4.0492 4.0492 4.4547 4.4547 4.4943 4.4943 6.4525 6.4525 8.8735 8.8735 8.9202 8.9202 k = 0.0952 0.0437-0.0000 ( 16506 PWs) bands (ev): -67.3137 -67.3137 -39.4052 -39.4052 -38.4850 -38.4850 -38.2895 -38.2895 -21.2979 -21.2979 -21.2825 -21.2825 -11.3739 -11.3739 -11.0023 -11.0023 -9.2413 -9.2413 -9.0986 -9.0986 -6.0664 -6.0664 -6.0490 -6.0490 -5.2819 -5.2819 -5.2151 -5.2151 -5.1731 -5.1731 -5.1697 -5.1697 -0.3458 -0.3458 0.1039 0.1039 0.1680 0.1680 0.3537 0.3537 0.6659 0.6659 0.7351 0.7351 2.2326 2.2326 2.3099 2.3099 2.6938 2.6938 2.6993 2.6993 3.3448 3.3448 3.5357 3.5357 3.6366 3.6366 3.9235 3.9235 4.0492 4.0492 4.4509 4.4509 4.4913 4.4913 6.4670 6.4670 8.8786 8.8786 8.9255 8.9255 k = 0.1190 0.0546-0.0000 ( 16486 PWs) bands (ev): -67.3132 -67.3132 -39.4051 -39.4051 -38.4849 -38.4849 -38.2894 -38.2894 -21.2978 -21.2978 -21.2826 -21.2826 -11.3712 -11.3712 -11.0063 -11.0063 -9.2395 -9.2395 -9.0986 -9.0986 -6.0667 -6.0667 -6.0493 -6.0493 -5.2824 -5.2824 -5.2193 -5.2193 -5.1726 -5.1726 -5.1648 -5.1648 -0.3607 -0.3607 0.1067 0.1067 0.1709 0.1709 0.3696 0.3696 0.6601 0.6601 0.7290 0.7290 2.2335 2.2335 2.3015 2.3015 2.7059 2.7059 2.7111 2.7111 3.3535 3.3535 3.5296 3.5296 3.6291 3.6291 3.9225 3.9225 4.0488 4.0488 4.4471 4.4471 4.4883 4.4883 6.4868 6.4868 8.8850 8.8850 8.9322 8.9322 k = 0.1429 0.0655-0.0000 ( 16502 PWs) bands (ev): -67.3136 -67.3136 -39.4052 -39.4052 -38.4850 -38.4850 -38.2895 -38.2895 -21.2976 -21.2976 -21.2828 -21.2828 -11.3678 -11.3678 -11.0111 -11.0111 -9.2375 -9.2375 -9.0986 -9.0986 -6.0670 -6.0670 -6.0496 -6.0496 -5.2829 -5.2829 -5.2233 -5.2233 -5.1721 -5.1721 -5.1597 -5.1597 -0.3778 -0.3778 0.1101 0.1101 0.1744 0.1744 0.3877 0.3877 0.6533 0.6533 0.7217 0.7217 2.2346 2.2346 2.2919 2.2919 2.7199 2.7199 2.7247 2.7247 3.3609 3.3609 3.5220 3.5220 3.6199 3.6199 3.9211 3.9211 4.0486 4.0486 4.4406 4.4406 4.4829 4.4829 6.5083 6.5083 8.8925 8.8925 8.9400 8.9400 k = 0.1667 0.0764-0.0000 ( 16518 PWs) bands (ev): -67.3140 -67.3140 -39.4053 -39.4053 -38.4851 -38.4851 -38.2895 -38.2895 -21.2974 -21.2974 -21.2830 -21.2830 -11.3640 -11.3640 -11.0166 -11.0166 -9.2352 -9.2352 -9.0986 -9.0986 -6.0673 -6.0673 -6.0500 -6.0500 -5.2835 -5.2835 -5.2273 -5.2273 -5.1714 -5.1714 -5.1546 -5.1546 -0.3962 -0.3962 0.1140 0.1140 0.1784 0.1784 0.4071 0.4071 0.6455 0.6455 0.7135 0.7135 2.2357 2.2357 2.2813 2.2813 2.7361 2.7361 2.7404 2.7404 3.3700 3.3700 3.5130 3.5130 3.6091 3.6091 3.9190 3.9190 4.0477 4.0477 4.4333 4.4333 4.4768 4.4768 6.5338 6.5338 8.9009 8.9009 8.9488 8.9488 k = 0.1905 0.0873-0.0000 ( 16510 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4850 -38.4850 -38.2895 -38.2895 -21.2972 -21.2972 -21.2832 -21.2832 -11.3596 -11.3596 -11.0227 -11.0227 -9.2327 -9.2327 -9.0986 -9.0986 -6.0677 -6.0677 -6.0503 -6.0503 -5.2842 -5.2842 -5.2310 -5.2310 -5.1707 -5.1707 -5.1497 -5.1497 -0.4153 -0.4153 0.1184 0.1184 0.1829 0.1829 0.4275 0.4275 0.6370 0.6370 0.7044 0.7044 2.2370 2.2370 2.2700 2.2700 2.7545 2.7545 2.7584 2.7584 3.3793 3.3793 3.5027 3.5027 3.5967 3.5967 3.9175 3.9175 4.0486 4.0486 4.4267 4.4267 4.4715 4.4715 6.5620 6.5620 8.9102 8.9102 8.9585 8.9585 k = 0.2143 0.0982-0.0000 ( 16518 PWs) bands (ev): -67.3140 -67.3140 -39.4053 -39.4053 -38.4851 -38.4851 -38.2895 -38.2895 -21.2970 -21.2970 -21.2834 -21.2834 -11.3549 -11.3549 -11.0293 -11.0293 -9.2301 -9.2301 -9.0986 -9.0986 -6.0682 -6.0682 -6.0507 -6.0507 -5.2848 -5.2848 -5.2346 -5.2346 -5.1700 -5.1700 -5.1448 -5.1448 -0.4348 -0.4348 0.1232 0.1232 0.1877 0.1877 0.4482 0.4482 0.6280 0.6280 0.6947 0.6947 2.2384 2.2384 2.2584 2.2584 2.7744 2.7744 2.7778 2.7778 3.3886 3.3886 3.4912 3.4912 3.5828 3.5828 3.9166 3.9166 4.0485 4.0485 4.4186 4.4186 4.4649 4.4649 6.5925 6.5925 8.9200 8.9200 8.9687 8.9687 k = 0.2381 0.1091-0.0000 ( 16534 PWs) bands (ev): -67.3144 -67.3144 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2968 -21.2968 -21.2836 -21.2836 -11.3498 -11.3498 -11.0364 -11.0364 -9.2273 -9.2273 -9.0986 -9.0986 -6.0687 -6.0687 -6.0511 -6.0511 -5.2855 -5.2855 -5.2379 -5.2379 -5.1693 -5.1693 -5.1401 -5.1401 -0.4541 -0.4541 0.1283 0.1283 0.1930 0.1930 0.4688 0.4688 0.6186 0.6186 0.6845 0.6845 2.2397 2.2397 2.2466 2.2466 2.7957 2.7957 2.7987 2.7987 3.3978 3.3978 3.4785 3.4785 3.5674 3.5674 3.9141 3.9141 4.0484 4.0484 4.4100 4.4100 4.4579 4.4579 6.6248 6.6248 8.9301 8.9301 8.9793 8.9793 k = 0.2619 0.1201-0.0000 ( 16550 PWs) bands (ev): -67.3148 -67.3148 -39.4054 -39.4054 -38.4852 -38.4852 -38.2896 -38.2896 -21.2965 -21.2965 -21.2839 -21.2839 -11.3443 -11.3443 -11.0438 -11.0438 -9.2246 -9.2246 -9.0986 -9.0986 -6.0692 -6.0692 -6.0514 -6.0514 -5.2862 -5.2862 -5.2410 -5.2410 -5.1685 -5.1685 -5.1356 -5.1356 -0.4730 -0.4730 0.1338 0.1338 0.1985 0.1985 0.4886 0.4886 0.6091 0.6091 0.6741 0.6741 2.2350 2.2350 2.2412 2.2412 2.8183 2.8183 2.8208 2.8208 3.4063 3.4063 3.4652 3.4652 3.5506 3.5506 3.9120 3.9120 4.0475 4.0475 4.4015 4.4015 4.4509 4.4509 6.6582 6.6582 8.9404 8.9404 8.9900 8.9900 k = 0.2857 0.1310-0.0000 ( 16550 PWs) bands (ev): -67.3148 -67.3148 -39.4054 -39.4054 -38.4852 -38.4852 -38.2896 -38.2896 -21.2963 -21.2963 -21.2841 -21.2841 -11.3387 -11.3387 -11.0513 -11.0513 -9.2219 -9.2219 -9.0986 -9.0986 -6.0698 -6.0698 -6.0517 -6.0517 -5.2869 -5.2869 -5.2438 -5.2438 -5.1678 -5.1678 -5.1314 -5.1314 -0.4910 -0.4910 0.1394 0.1394 0.2041 0.2041 0.5073 0.5073 0.6001 0.6001 0.6636 0.6636 2.2238 2.2238 2.2425 2.2425 2.8420 2.8420 2.8441 2.8441 3.4127 3.4127 3.4526 3.4526 3.5330 3.5330 3.9101 3.9101 4.0475 4.0475 4.3942 4.3942 4.4453 4.4453 6.6921 6.6921 8.9505 8.9505 9.0006 9.0006 k = 0.3095 0.1419-0.0000 ( 16526 PWs) bands (ev): -67.3143 -67.3143 -39.4053 -39.4053 -38.4851 -38.4851 -38.2895 -38.2895 -21.2960 -21.2960 -21.2844 -21.2844 -11.3330 -11.3330 -11.0588 -11.0588 -9.2193 -9.2193 -9.0986 -9.0986 -6.0703 -6.0703 -6.0520 -6.0520 -5.2875 -5.2875 -5.2464 -5.2464 -5.1671 -5.1671 -5.1275 -5.1275 -0.5078 -0.5078 0.1451 0.1451 0.2098 0.2098 0.5240 0.5240 0.5920 0.5920 0.6533 0.6533 2.2133 2.2133 2.2439 2.2439 2.8662 2.8662 2.8680 2.8680 3.4135 3.4135 3.4453 3.4453 3.5145 3.5145 3.9096 3.9096 4.0484 4.0484 4.3878 4.3878 4.4403 4.4403 6.7268 6.7268 8.9603 8.9603 9.0108 9.0108 k = 0.3333 0.1528-0.0000 ( 16534 PWs) bands (ev): -67.3145 -67.3145 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2958 -21.2958 -21.2846 -21.2846 -11.3273 -11.3273 -11.0662 -11.0662 -9.2168 -9.2168 -9.0986 -9.0986 -6.0709 -6.0709 -6.0522 -6.0522 -5.2881 -5.2881 -5.2487 -5.2487 -5.1665 -5.1665 -5.1240 -5.1240 -0.5233 -0.5233 0.1506 0.1506 0.2154 0.2154 0.5373 0.5373 0.5861 0.5861 0.6434 0.6434 2.2035 2.2035 2.2451 2.2451 2.8902 2.8902 2.8919 2.8919 3.4037 3.4037 3.4454 3.4454 3.4955 3.4955 3.9078 3.9078 4.0483 4.0483 4.3810 4.3810 4.4351 4.4351 6.7586 6.7586 8.9696 8.9696 9.0205 9.0205 k = 0.3571 0.1637-0.0000 ( 16522 PWs) bands (ev): -67.3142 -67.3142 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2955 -21.2955 -21.2849 -21.2849 -11.3219 -11.3219 -11.0733 -11.0733 -9.2146 -9.2146 -9.0986 -9.0986 -6.0714 -6.0714 -6.0524 -6.0524 -5.2887 -5.2887 -5.2507 -5.2507 -5.1659 -5.1659 -5.1208 -5.1208 -0.5372 -0.5372 0.1559 0.1559 0.2207 0.2207 0.5451 0.5451 0.5847 0.5847 0.6341 0.6341 2.1948 2.1948 2.2463 2.2463 2.9139 2.9139 2.9156 2.9156 3.3890 3.3890 3.4504 3.4504 3.4767 3.4767 3.9063 3.9063 4.0488 4.0488 4.3758 4.3758 4.4312 4.4312 6.7893 6.7893 8.9780 8.9780 9.0293 9.0293 k = 0.3810 0.1746-0.0000 ( 16478 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4849 -38.4849 -38.2893 -38.2893 -21.2953 -21.2953 -21.2851 -21.2851 -11.3167 -11.3167 -11.0798 -11.0798 -9.2126 -9.2126 -9.0986 -9.0986 -6.0718 -6.0718 -6.0526 -6.0526 -5.2892 -5.2892 -5.2524 -5.2524 -5.1654 -5.1654 -5.1181 -5.1181 -0.5492 -0.5492 0.1608 0.1608 0.2257 0.2257 0.5462 0.5462 0.5890 0.5890 0.6259 0.6259 2.1871 2.1871 2.2473 2.2473 2.9365 2.9365 2.9385 2.9385 3.3734 3.3734 3.4560 3.4560 3.4590 3.4590 3.9059 3.9059 4.0501 4.0501 4.3736 4.3736 4.4301 4.4301 6.8169 6.8169 8.9855 8.9855 9.0372 9.0372 k = 0.4048 0.1855-0.0000 ( 16514 PWs) bands (ev): -67.3140 -67.3140 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2951 -21.2951 -21.2853 -21.2853 -11.3121 -11.3121 -11.0856 -11.0856 -9.2109 -9.2109 -9.0986 -9.0986 -6.0722 -6.0722 -6.0528 -6.0528 -5.2896 -5.2896 -5.2538 -5.2538 -5.1649 -5.1649 -5.1158 -5.1158 -0.5593 -0.5593 0.1651 0.1651 0.2300 0.2300 0.5433 0.5433 0.5961 0.5961 0.6185 0.6185 2.1807 2.1807 2.2482 2.2482 2.9567 2.9567 2.9592 2.9592 3.3572 3.3572 3.4415 3.4415 3.4604 3.4604 3.9033 3.9033 4.0487 4.0487 4.3672 4.3672 4.4248 4.4248 6.8406 6.8406 8.9919 8.9919 9.0439 9.0439 k = 0.4286 0.1965-0.0000 ( 16522 PWs) bands (ev): -67.3142 -67.3142 -39.4053 -39.4053 -38.4851 -38.4851 -38.2895 -38.2895 -21.2949 -21.2949 -21.2855 -21.2855 -11.3083 -11.3083 -11.0904 -11.0904 -9.2095 -9.2095 -9.0986 -9.0986 -6.0726 -6.0726 -6.0529 -6.0529 -5.2899 -5.2899 -5.2548 -5.2548 -5.1646 -5.1646 -5.1140 -5.1140 -0.5674 -0.5674 0.1687 0.1687 0.2336 0.2336 0.5395 0.5395 0.6031 0.6031 0.6126 0.6126 2.1756 2.1756 2.2489 2.2489 2.9742 2.9742 2.9773 2.9773 3.3430 3.3430 3.4267 3.4267 3.4633 3.4633 3.9022 3.9022 4.0486 4.0486 4.3638 4.3638 4.4222 4.4222 6.8592 6.8592 8.9970 8.9970 9.0492 9.0492 k = 0.4524 0.2074-0.0000 ( 16530 PWs) bands (ev): -67.3143 -67.3143 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2948 -21.2948 -21.2856 -21.2856 -11.3054 -11.3054 -11.0940 -11.0940 -9.2085 -9.2085 -9.0986 -9.0986 -6.0728 -6.0728 -6.0529 -6.0529 -5.2901 -5.2901 -5.2556 -5.2556 -5.1643 -5.1643 -5.1127 -5.1127 -0.5732 -0.5732 0.1714 0.1714 0.2363 0.2363 0.5362 0.5362 0.6082 0.6082 0.6086 0.6086 2.1719 2.1719 2.2494 2.2494 2.9877 2.9877 2.9915 2.9915 3.3315 3.3315 3.4150 3.4150 3.4654 3.4654 3.9014 3.9014 4.0486 4.0486 4.3611 4.3611 4.4201 4.4201 6.8731 6.8731 9.0007 9.0007 9.0532 9.0532 k = 0.4762 0.2183-0.0000 ( 16518 PWs) bands (ev): -67.3141 -67.3141 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2947 -21.2947 -21.2857 -21.2857 -11.3036 -11.3036 -11.0963 -11.0963 -9.2079 -9.2079 -9.0986 -9.0986 -6.0729 -6.0729 -6.0530 -6.0530 -5.2903 -5.2903 -5.2561 -5.2561 -5.1642 -5.1642 -5.1119 -5.1119 -0.5767 -0.5767 0.1730 0.1730 0.2379 0.2379 0.5341 0.5341 0.6056 0.6056 0.6120 0.6120 2.1697 2.1697 2.2497 2.2497 2.9964 2.9964 3.0007 3.0007 3.3241 3.3241 3.4078 3.4078 3.4669 3.4669 3.9015 3.9015 4.0492 4.0492 4.3603 4.3603 4.4197 4.4197 6.8819 6.8819 9.0029 9.0029 9.0556 9.0556 k = 0.5000 0.2292-0.0000 ( 16558 PWs) bands (ev): -67.3150 -67.3150 -39.4055 -39.4055 -38.4853 -38.4853 -38.2895 -38.2895 -21.2947 -21.2947 -21.2857 -21.2857 -11.3029 -11.3029 -11.0970 -11.0970 -9.2077 -9.2077 -9.0986 -9.0986 -6.0730 -6.0730 -6.0530 -6.0530 -5.2903 -5.2903 -5.2563 -5.2563 -5.1641 -5.1641 -5.1117 -5.1117 -0.5781 -0.5781 0.1736 0.1736 0.2385 0.2385 0.5333 0.5333 0.6046 0.6046 0.6132 0.6132 2.1689 2.1689 2.2498 2.2498 2.9993 2.9993 3.0039 3.0039 3.3213 3.3213 3.4050 3.4050 3.4653 3.4653 3.9002 3.9002 4.0473 4.0473 4.3589 4.3589 4.4184 4.4184 6.8829 6.8829 9.0037 9.0037 9.0564 9.0564 k = 0.5000 0.2292-0.0000 ( 16558 PWs) bands (ev): -67.3150 -67.3150 -39.4055 -39.4055 -38.4853 -38.4853 -38.2895 -38.2895 -21.2947 -21.2947 -21.2857 -21.2857 -11.3029 -11.3029 -11.0970 -11.0970 -9.2077 -9.2077 -9.0986 -9.0986 -6.0730 -6.0730 -6.0530 -6.0530 -5.2903 -5.2903 -5.2563 -5.2563 -5.1641 -5.1641 -5.1117 -5.1117 -0.5781 -0.5781 0.1736 0.1736 0.2385 0.2385 0.5333 0.5333 0.6046 0.6046 0.6132 0.6132 2.1689 2.1689 2.2498 2.2498 2.9993 2.9993 3.0039 3.0039 3.3213 3.3213 3.4050 3.4050 3.4653 3.4653 3.9002 3.9002 4.0473 4.0473 4.3589 4.3589 4.4184 4.4184 6.8829 6.8829 9.0037 9.0037 9.0564 9.0564 k = 0.4920 0.2466 0.0192 ( 16546 PWs) bands (ev): -67.3147 -67.3147 -39.4055 -39.4055 -38.4853 -38.4853 -38.2895 -38.2895 -21.2947 -21.2947 -21.2857 -21.2857 -11.3027 -11.3027 -11.0971 -11.0971 -9.2079 -9.2079 -9.0992 -9.0992 -6.0734 -6.0734 -6.0524 -6.0524 -5.2900 -5.2900 -5.2564 -5.2564 -5.1647 -5.1647 -5.1110 -5.1110 -0.5784 -0.5784 0.1737 0.1737 0.2385 0.2385 0.5308 0.5308 0.5954 0.5954 0.6236 0.6236 2.1706 2.1706 2.2514 2.2514 2.9994 2.9994 3.0040 3.0040 3.3204 3.3204 3.4041 3.4041 3.4666 3.4666 3.9013 3.9013 4.0488 4.0488 4.3582 4.3582 4.4177 4.4177 6.8837 6.8837 8.9914 8.9914 9.0480 9.0480 k = 0.4840 0.2641 0.0384 ( 16530 PWs) bands (ev): -67.3143 -67.3143 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2947 -21.2947 -21.2857 -21.2857 -11.3019 -11.3019 -11.0972 -11.0972 -9.2086 -9.2086 -9.1010 -9.1010 -6.0745 -6.0745 -6.0506 -6.0506 -5.2889 -5.2889 -5.2567 -5.2567 -5.1662 -5.1662 -5.1091 -5.1091 -0.5798 -0.5798 0.1741 0.1741 0.2386 0.2386 0.5235 0.5235 0.5850 0.5850 0.6379 0.6379 2.1759 2.1759 2.2563 2.2563 2.9997 2.9997 3.0044 3.0044 3.3184 3.3184 3.4020 3.4020 3.4690 3.4690 3.9029 3.9029 4.0484 4.0484 4.3582 4.3582 4.4176 4.4176 6.8839 6.8839 8.9434 8.9434 9.0413 9.0413 k = 0.4760 0.2815 0.0575 ( 16538 PWs) bands (ev): -67.3145 -67.3145 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2946 -21.2946 -21.2857 -21.2857 -11.3005 -11.3005 -11.0974 -11.0974 -9.2097 -9.2097 -9.1038 -9.1038 -6.0760 -6.0760 -6.0480 -6.0480 -5.2871 -5.2871 -5.2572 -5.2572 -5.1685 -5.1685 -5.1063 -5.1063 -0.5821 -0.5821 0.1747 0.1747 0.2387 0.2387 0.5120 0.5120 0.5762 0.5762 0.6522 0.6522 2.1847 2.1847 2.2644 2.2644 3.0001 3.0001 3.0050 3.0050 3.3147 3.3147 3.3981 3.3981 3.4725 3.4725 3.9035 3.9035 4.0475 4.0475 4.3563 4.3563 4.4157 4.4157 6.8837 6.8837 8.8656 8.8656 9.0436 9.0436 k = 0.4680 0.2989 0.0767 ( 16534 PWs) bands (ev): -67.3144 -67.3144 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2945 -21.2945 -21.2857 -21.2857 -11.2986 -11.2986 -11.0977 -11.0977 -9.2112 -9.2112 -9.1078 -9.1078 -6.0777 -6.0777 -6.0449 -6.0449 -5.2846 -5.2846 -5.2579 -5.2579 -5.1714 -5.1714 -5.1028 -5.1028 -0.5853 -0.5853 0.1756 0.1756 0.2390 0.2390 0.4974 0.4974 0.5687 0.5687 0.6660 0.6660 2.1966 2.1966 2.2755 2.2755 3.0006 3.0006 3.0061 3.0061 3.3098 3.3098 3.3930 3.3930 3.4769 3.4769 3.9055 3.9055 4.0468 4.0468 4.3546 4.3546 4.4141 4.4141 6.8831 6.8831 8.7722 8.7722 9.0503 9.0503 k = 0.4600 0.3164 0.0959 ( 16534 PWs) bands (ev): -67.3144 -67.3144 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2943 -21.2943 -21.2857 -21.2857 -11.2962 -11.2962 -11.0980 -11.0980 -9.2131 -9.2131 -9.1129 -9.1129 -6.0792 -6.0792 -6.0415 -6.0415 -5.2815 -5.2815 -5.2587 -5.2587 -5.1745 -5.1745 -5.0987 -5.0987 -0.5891 -0.5891 0.1768 0.1768 0.2394 0.2394 0.4810 0.4810 0.5616 0.5616 0.6789 0.6789 2.2117 2.2117 2.2896 2.2896 3.0014 3.0014 3.0075 3.0075 3.3034 3.3034 3.3862 3.3862 3.4824 3.4824 3.9079 3.9079 4.0462 4.0462 4.3517 4.3517 4.4119 4.4119 6.8825 6.8825 8.6702 8.6702 9.0600 9.0600 k = 0.4521 0.3338 0.1151 ( 16536 PWs) bands (ev): -67.3145 -67.3145 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2942 -21.2942 -21.2857 -21.2857 -11.2933 -11.2933 -11.0985 -11.0985 -9.2154 -9.2154 -9.1189 -9.1189 -6.0806 -6.0806 -6.0379 -6.0379 -5.2778 -5.2778 -5.2596 -5.2596 -5.1777 -5.1777 -5.0945 -5.0945 -0.5936 -0.5936 0.1783 0.1783 0.2399 0.2399 0.4636 0.4636 0.5544 0.5544 0.6906 0.6906 2.2296 2.2296 2.3066 2.3066 3.0025 3.0025 3.0095 3.0095 3.2957 3.2957 3.3782 3.3782 3.4892 3.4892 3.9102 3.9102 4.0451 4.0451 4.3481 4.3481 4.4097 4.4097 6.8815 6.8815 8.5634 8.5634 9.0722 9.0722 k = 0.4441 0.3512 0.1342 ( 16524 PWs) bands (ev): -67.3142 -67.3142 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2940 -21.2940 -21.2857 -21.2857 -11.2899 -11.2899 -11.0991 -11.0991 -9.2181 -9.2181 -9.1258 -9.1258 -6.0818 -6.0818 -6.0343 -6.0343 -5.2738 -5.2738 -5.2604 -5.2604 -5.1808 -5.1808 -5.0901 -5.0901 -0.5985 -0.5985 0.1800 0.1800 0.2406 0.2406 0.4457 0.4457 0.5467 0.5467 0.7009 0.7009 2.2499 2.2499 2.3262 2.3262 3.0040 3.0040 3.0118 3.0118 3.2869 3.2869 3.3689 3.3689 3.4971 3.4971 3.9142 3.9142 4.0452 4.0452 4.3438 4.3438 4.4079 4.4079 6.8805 6.8805 8.4541 8.4541 9.0868 9.0868 k = 0.4361 0.3686 0.1534 ( 16514 PWs) bands (ev): -67.3140 -67.3140 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2937 -21.2937 -21.2857 -21.2857 -11.2860 -11.2860 -11.0998 -11.0998 -9.2212 -9.2212 -9.1336 -9.1336 -6.0828 -6.0828 -6.0307 -6.0307 -5.2700 -5.2700 -5.2605 -5.2605 -5.1838 -5.1838 -5.0856 -5.0856 -0.6037 -0.6037 0.1821 0.1821 0.2415 0.2415 0.4277 0.4277 0.5384 0.5384 0.7096 0.7096 2.2725 2.2725 2.3483 2.3483 3.0061 3.0061 3.0147 3.0147 3.2770 3.2770 3.3585 3.3585 3.5056 3.5056 3.9189 3.9189 4.0449 4.0449 4.3389 4.3389 4.4063 4.4063 6.8788 6.8788 8.3440 8.3440 9.1035 9.1035 k = 0.4281 0.3861 0.1726 ( 16518 PWs) bands (ev): -67.3141 -67.3141 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2935 -21.2935 -21.2857 -21.2857 -11.2815 -11.2815 -11.1007 -11.1007 -9.2245 -9.2245 -9.1421 -9.1421 -6.0835 -6.0835 -6.0272 -6.0272 -5.2678 -5.2678 -5.2586 -5.2586 -5.1867 -5.1867 -5.0813 -5.0813 -0.6092 -0.6092 0.1845 0.1845 0.2428 0.2428 0.4098 0.4098 0.5295 0.5295 0.7166 0.7166 2.2969 2.2969 2.3725 2.3725 3.0088 3.0088 3.0180 3.0180 3.2661 3.2661 3.3469 3.3469 3.5149 3.5149 3.9234 3.9234 4.0432 4.0432 4.3331 4.3331 4.4045 4.4045 6.8761 6.8761 8.2342 8.2342 9.1223 9.1223 k = 0.4201 0.4035 0.1918 ( 16528 PWs) bands (ev): -67.3143 -67.3143 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2932 -21.2932 -21.2857 -21.2857 -11.2766 -11.2766 -11.1017 -11.1017 -9.2283 -9.2283 -9.1512 -9.1512 -6.0839 -6.0839 -6.0238 -6.0238 -5.2679 -5.2679 -5.2541 -5.2541 -5.1892 -5.1892 -5.0771 -5.0771 -0.6148 -0.6148 0.1873 0.1873 0.2444 0.2444 0.3924 0.3924 0.5199 0.5199 0.7217 0.7217 2.3227 2.3227 2.3986 2.3986 3.0123 3.0123 3.0218 3.0218 3.2543 3.2543 3.3342 3.3342 3.5251 3.5251 3.9275 3.9275 4.0414 4.0414 4.3266 4.3266 4.4029 4.4029 6.8725 6.8725 8.1257 8.1257 9.1432 9.1432 k = 0.4121 0.4209 0.2109 ( 16522 PWs) bands (ev): -67.3142 -67.3142 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2929 -21.2929 -21.2857 -21.2857 -11.2713 -11.2713 -11.1030 -11.1030 -9.2322 -9.2322 -9.1608 -9.1608 -6.0840 -6.0840 -6.0207 -6.0207 -5.2688 -5.2688 -5.2485 -5.2485 -5.1914 -5.1914 -5.0732 -5.0732 -0.6202 -0.6202 0.1904 0.1904 0.2463 0.2463 0.3754 0.3754 0.5096 0.5096 0.7248 0.7248 2.3496 2.3496 2.4264 2.4264 3.0166 3.0166 3.0261 3.0261 3.2421 3.2421 3.3208 3.3208 3.5358 3.5358 3.9327 3.9327 4.0408 4.0408 4.3206 4.3206 4.4021 4.4021 6.8679 6.8679 8.0196 8.0196 9.1660 9.1660 k = 0.4041 0.4384 0.2301 ( 16510 PWs) bands (ev): -67.3139 -67.3139 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2926 -21.2926 -21.2858 -21.2858 -11.2655 -11.2655 -11.1044 -11.1044 -9.2365 -9.2365 -9.1709 -9.1709 -6.0838 -6.0838 -6.0178 -6.0178 -5.2699 -5.2699 -5.2424 -5.2424 -5.1932 -5.1932 -5.0694 -5.0694 -0.6254 -0.6254 0.1938 0.1938 0.2488 0.2488 0.3592 0.3592 0.4988 0.4988 0.7258 0.7258 2.3772 2.3772 2.4556 2.4556 3.0218 3.0218 3.0310 3.0310 3.2293 3.2293 3.3068 3.3068 3.5469 3.5469 3.9383 3.9383 4.0408 4.0408 4.3145 4.3145 4.4024 4.4024 6.8616 6.8616 7.9168 7.9168 9.1906 9.1906 k = 0.3961 0.4558 0.2493 ( 16494 PWs) bands (ev): -67.3135 -67.3135 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2923 -21.2923 -21.2858 -21.2858 -11.2592 -11.2592 -11.1061 -11.1061 -9.2409 -9.2409 -9.1812 -9.1812 -6.0834 -6.0834 -6.0152 -6.0152 -5.2711 -5.2711 -5.2363 -5.2363 -5.1945 -5.1945 -5.0660 -5.0660 -0.6302 -0.6302 0.1976 0.1976 0.2517 0.2517 0.3437 0.3437 0.4874 0.4874 0.7247 0.7247 2.4051 2.4051 2.4858 2.4858 3.0278 3.0278 3.0367 3.0367 3.2163 3.2163 3.2921 3.2921 3.5592 3.5592 3.9438 3.9438 4.0404 4.0404 4.3094 4.3094 4.4027 4.4027 6.8536 6.8536 7.8183 7.8183 9.2169 9.2169 k = 0.3881 0.4732 0.2685 ( 16490 PWs) bands (ev): -67.3134 -67.3134 -39.4053 -39.4053 -38.4851 -38.4851 -38.2892 -38.2892 -21.2919 -21.2919 -21.2858 -21.2858 -11.2526 -11.2526 -11.1081 -11.1081 -9.2456 -9.2456 -9.1918 -9.1918 -6.0827 -6.0827 -6.0130 -6.0130 -5.2722 -5.2722 -5.2307 -5.2307 -5.1948 -5.1948 -5.0629 -5.0629 -0.6345 -0.6345 0.2018 0.2018 0.2553 0.2553 0.3290 0.3290 0.4755 0.4755 0.7213 0.7213 2.4330 2.4330 2.5167 2.5167 3.0344 3.0344 3.0431 3.0431 3.2030 3.2030 3.2768 3.2768 3.5713 3.5713 3.9497 3.9497 4.0401 4.0401 4.3034 4.3034 4.4028 4.4028 6.8427 6.8427 7.7252 7.7252 9.2448 9.2448 k = 0.3801 0.4907 0.2876 ( 16476 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2915 -21.2915 -21.2859 -21.2859 -11.2456 -11.2456 -11.1103 -11.1103 -9.2504 -9.2504 -9.2024 -9.2024 -6.0818 -6.0818 -6.0111 -6.0111 -5.2731 -5.2731 -5.2260 -5.2260 -5.1939 -5.1939 -5.0601 -5.0601 -0.6382 -0.6382 0.2062 0.2062 0.2595 0.2595 0.3154 0.3154 0.4632 0.4632 0.7157 0.7157 2.4606 2.4606 2.5481 2.5481 3.0414 3.0414 3.0504 3.0504 3.1897 3.1897 3.2611 3.2611 3.5838 3.5838 3.9566 3.9566 4.0400 4.0400 4.2984 4.2984 4.4034 4.4034 6.8284 6.8284 7.6387 7.6387 9.2742 9.2742 k = 0.3722 0.5081 0.3068 ( 16482 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2912 -21.2912 -21.2859 -21.2859 -11.2382 -11.2382 -11.1128 -11.1128 -9.2552 -9.2552 -9.2129 -9.2129 -6.0806 -6.0806 -6.0096 -6.0096 -5.2739 -5.2739 -5.2227 -5.2227 -5.1912 -5.1912 -5.0578 -5.0578 -0.6414 -0.6414 0.2108 0.2108 0.2644 0.2644 0.3028 0.3028 0.4504 0.4504 0.7077 0.7077 2.4874 2.4874 2.5797 2.5797 3.0484 3.0484 3.0584 3.0584 3.1768 3.1768 3.2450 3.2450 3.5958 3.5958 3.9626 3.9626 4.0395 4.0395 4.2925 4.2925 4.4040 4.4040 6.8093 6.8093 7.5601 7.5601 9.3048 9.3048 k = 0.3642 0.5255 0.3260 ( 16476 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2908 -21.2908 -21.2860 -21.2860 -11.2304 -11.2304 -11.1157 -11.1157 -9.2602 -9.2602 -9.2234 -9.2234 -6.0791 -6.0791 -6.0085 -6.0085 -5.2744 -5.2744 -5.2211 -5.2211 -5.1868 -5.1868 -5.0558 -5.0558 -0.6437 -0.6437 0.2154 0.2154 0.2701 0.2701 0.2917 0.2917 0.4374 0.4374 0.6975 0.6975 2.5135 2.5135 2.6111 2.6111 3.0556 3.0556 3.0667 3.0667 3.1646 3.1646 3.2288 3.2288 3.6080 3.6080 3.9687 3.9687 4.0407 4.0407 4.2880 4.2880 4.4051 4.4051 6.7853 6.7853 7.4905 7.4905 9.3365 9.3365 k = 0.3562 0.5430 0.3452 ( 16472 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2904 -21.2904 -21.2861 -21.2861 -11.2224 -11.2224 -11.1189 -11.1189 -9.2651 -9.2651 -9.2336 -9.2336 -6.0774 -6.0774 -6.0078 -6.0078 -5.2748 -5.2748 -5.2207 -5.2207 -5.1811 -5.1811 -5.0542 -5.0542 -0.6453 -0.6453 0.2197 0.2197 0.2762 0.2762 0.2826 0.2826 0.4242 0.4242 0.6851 0.6851 2.5385 2.5385 2.6423 2.6423 3.0625 3.0625 3.0746 3.0746 3.1539 3.1539 3.2125 3.2125 3.6196 3.6196 3.9752 3.9752 4.0419 4.0419 4.2841 4.2841 4.4064 4.4064 6.7553 6.7553 7.4312 7.4312 9.3690 9.3690 k = 0.3482 0.5604 0.3643 ( 16468 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2891 -38.2891 -21.2900 -21.2900 -21.2862 -21.2862 -11.2141 -11.2141 -11.1224 -11.1224 -9.2700 -9.2700 -9.2434 -9.2434 -6.0755 -6.0755 -6.0075 -6.0075 -5.2749 -5.2749 -5.2212 -5.2212 -5.1744 -5.1744 -5.0531 -5.0531 -0.6461 -0.6461 0.2234 0.2234 0.2739 0.2739 0.2850 0.2850 0.4108 0.4108 0.6705 0.6705 2.5625 2.5625 2.6728 2.6728 3.0684 3.0684 3.0814 3.0814 3.1457 3.1457 3.1961 3.1961 3.6307 3.6307 3.9814 3.9814 4.0450 4.0450 4.2808 4.2808 4.4074 4.4074 6.7195 6.7195 7.3825 7.3825 9.4022 9.4022 k = 0.3402 0.5778 0.3835 ( 16458 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2896 -21.2896 -21.2863 -21.2863 -11.2055 -11.2055 -11.1263 -11.1263 -9.2748 -9.2748 -9.2529 -9.2529 -6.0735 -6.0735 -6.0076 -6.0076 -5.2748 -5.2748 -5.2222 -5.2222 -5.1674 -5.1674 -5.0524 -5.0524 -0.6461 -0.6461 0.2254 0.2254 0.2694 0.2694 0.2935 0.2935 0.3974 0.3974 0.6540 0.6540 2.5853 2.5853 2.7025 2.7025 3.0707 3.0707 3.0877 3.0877 3.1417 3.1417 3.1799 3.1799 3.6413 3.6413 3.9870 3.9870 4.0494 4.0494 4.2793 4.2793 4.4088 4.4088 6.6783 6.6783 7.3442 7.3442 9.4357 9.4357 k = 0.3322 0.5953 0.4027 ( 16470 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2891 -38.2891 -21.2892 -21.2892 -21.2864 -21.2864 -11.1968 -11.1968 -11.1306 -11.1306 -9.2794 -9.2794 -9.2619 -9.2619 -6.0712 -6.0712 -6.0081 -6.0081 -5.2745 -5.2745 -5.2234 -5.2234 -5.1601 -5.1601 -5.0522 -5.0522 -0.6453 -0.6453 0.2253 0.2253 0.2683 0.2683 0.3032 0.3032 0.3840 0.3840 0.6354 0.6354 2.6070 2.6070 2.7311 2.7311 3.0669 3.0669 3.0952 3.0952 3.1420 3.1420 3.1639 3.1639 3.6509 3.6509 3.9901 3.9901 4.0544 4.0544 4.2773 4.2773 4.4099 4.4099 6.6328 6.6328 7.3155 7.3155 9.4691 9.4691 k = 0.3242 0.6127 0.4219 ( 16464 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2891 -38.2891 -21.2888 -21.2888 -21.2866 -21.2866 -11.1878 -11.1878 -11.1353 -11.1353 -9.2838 -9.2838 -9.2703 -9.2703 -6.0688 -6.0688 -6.0089 -6.0089 -5.2740 -5.2740 -5.2248 -5.2248 -5.1529 -5.1529 -5.0524 -5.0524 -0.6436 -0.6436 0.2231 0.2231 0.2705 0.2705 0.3138 0.3138 0.3710 0.3710 0.6151 0.6151 2.6278 2.6278 2.7587 2.7587 3.0583 3.0583 3.1038 3.1038 3.1443 3.1443 3.1494 3.1494 3.6599 3.6599 3.9925 3.9925 4.0612 4.0612 4.2785 4.2785 4.4117 4.4117 6.5849 6.5849 7.2951 7.2951 9.5021 9.5021 k = 0.3162 0.6301 0.4410 ( 16458 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2883 -21.2883 -21.2867 -21.2867 -11.1787 -11.1787 -11.1403 -11.1403 -9.2880 -9.2880 -9.2781 -9.2781 -6.0662 -6.0662 -6.0099 -6.0099 -5.2734 -5.2734 -5.2262 -5.2262 -5.1458 -5.1458 -5.0531 -5.0531 -0.6412 -0.6412 0.2197 0.2197 0.2753 0.2753 0.3247 0.3247 0.3588 0.3588 0.5932 0.5932 2.6477 2.6477 2.7847 2.7847 3.0466 3.0466 3.1123 3.1123 3.1331 3.1331 3.1501 3.1501 3.6678 3.6678 3.9951 3.9951 4.0697 4.0697 4.2790 4.2790 4.4138 4.4138 6.5363 6.5363 7.2820 7.2820 9.5342 9.5342 k = 0.3082 0.6476 0.4602 ( 16450 PWs) bands (ev): -67.3125 -67.3125 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2879 -21.2879 -21.2869 -21.2869 -11.1695 -11.1695 -11.1457 -11.1457 -9.2919 -9.2919 -9.2852 -9.2852 -6.0636 -6.0636 -6.0113 -6.0113 -5.2727 -5.2727 -5.2276 -5.2276 -5.1388 -5.1388 -5.0543 -5.0543 -0.6379 -0.6379 0.2159 0.2159 0.2816 0.2816 0.3323 0.3323 0.3514 0.3514 0.5700 0.5700 2.6668 2.6668 2.8093 2.8093 3.0333 3.0333 3.1117 3.1117 3.1286 3.1286 3.1536 3.1536 3.6748 3.6748 3.9966 3.9966 4.0791 4.0791 4.2813 4.2813 4.4157 4.4157 6.4888 6.4888 7.2746 7.2746 9.5648 9.5648 k = 0.3002 0.6650 0.4794 ( 16460 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2875 -21.2875 -21.2871 -21.2871 -11.1603 -11.1603 -11.1515 -11.1515 -9.2956 -9.2956 -9.2915 -9.2915 -6.0609 -6.0609 -6.0129 -6.0129 -5.2719 -5.2719 -5.2289 -5.2289 -5.1321 -5.1321 -5.0560 -5.0560 -0.6341 -0.6341 0.2122 0.2122 0.2889 0.2889 0.3268 0.3268 0.3586 0.3586 0.5456 0.5456 2.6852 2.6852 2.8320 2.8320 3.0189 3.0189 3.0981 3.0981 3.1376 3.1376 3.1559 3.1559 3.6802 3.6802 3.9965 3.9965 4.0872 4.0872 4.2840 4.2840 4.4179 4.4179 6.4436 6.4436 7.2714 7.2714 9.5935 9.5935 k = 0.2922 0.6824 0.4986 ( 16450 PWs) bands (ev): -67.3125 -67.3125 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2873 -21.2873 -21.2872 -21.2872 -11.1576 -11.1576 -11.1510 -11.1510 -9.2993 -9.2993 -9.2965 -9.2965 -6.0582 -6.0582 -6.0146 -6.0146 -5.2712 -5.2712 -5.2301 -5.2301 -5.1257 -5.1257 -5.0581 -5.0581 -0.6295 -0.6295 0.2090 0.2090 0.2961 0.2961 0.3166 0.3166 0.3725 0.3725 0.5203 0.5203 2.7032 2.7032 2.8531 2.8531 3.0039 3.0039 3.0827 3.0827 3.1481 3.1481 3.1568 3.1568 3.6843 3.6843 3.9972 3.9972 4.0972 4.0972 4.2886 4.2886 4.4201 4.4201 6.4023 6.4023 7.2720 7.2720 9.6194 9.6194 k = 0.2843 0.6999 0.5177 ( 16462 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2875 -21.2875 -21.2868 -21.2868 -11.1641 -11.1641 -11.1418 -11.1418 -9.3035 -9.3035 -9.2999 -9.2999 -6.0556 -6.0556 -6.0165 -6.0165 -5.2705 -5.2705 -5.2311 -5.2311 -5.1196 -5.1196 -5.0607 -5.0607 -0.6243 -0.6243 0.2063 0.2063 0.2976 0.2976 0.3123 0.3123 0.3882 0.3882 0.4945 0.4945 2.7208 2.7208 2.8720 2.8720 2.9883 2.9883 3.0669 3.0669 3.1521 3.1521 3.1626 3.1626 3.6871 3.6871 3.9965 3.9965 4.1056 4.1056 4.2922 4.2922 4.4217 4.4217 6.3656 6.3656 7.2755 7.2755 9.6420 9.6420 k = 0.2763 0.7173 0.5369 ( 16472 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2878 -21.2878 -21.2864 -21.2864 -11.1709 -11.1709 -11.1326 -11.1326 -9.3076 -9.3076 -9.3021 -9.3021 -6.0531 -6.0531 -6.0183 -6.0183 -5.2700 -5.2700 -5.2317 -5.2317 -5.1139 -5.1139 -5.0638 -5.0638 -0.6184 -0.6184 0.2040 0.2040 0.2883 0.2883 0.3193 0.3193 0.4048 0.4048 0.4686 0.4686 2.7382 2.7382 2.8888 2.8888 2.9725 2.9725 3.0506 3.0506 3.1479 3.1479 3.1747 3.1747 3.6888 3.6888 3.9962 3.9962 4.1129 4.1129 4.2963 4.2963 4.4234 4.4234 6.3345 6.3345 7.2816 7.2816 9.6605 9.6605 k = 0.2763 0.7173 0.5369 ( 16472 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2878 -21.2878 -21.2864 -21.2864 -11.1709 -11.1709 -11.1326 -11.1326 -9.3076 -9.3076 -9.3021 -9.3021 -6.0531 -6.0531 -6.0183 -6.0183 -5.2700 -5.2700 -5.2317 -5.2317 -5.1139 -5.1139 -5.0638 -5.0638 -0.6184 -0.6184 0.2040 0.2040 0.2883 0.2883 0.3193 0.3193 0.4048 0.4048 0.4686 0.4686 2.7382 2.7382 2.8888 2.8888 2.9725 2.9725 3.0506 3.0506 3.1479 3.1479 3.1747 3.1747 3.6888 3.6888 3.9962 3.9962 4.1129 4.1129 4.2963 4.2963 4.4234 4.4234 6.3345 6.3345 7.2816 7.2816 9.6605 9.6605 k = 0.2512 0.7121 0.5427 ( 16464 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2879 -21.2879 -21.2863 -21.2863 -11.1735 -11.1735 -11.1293 -11.1293 -9.3087 -9.3087 -9.3026 -9.3026 -6.0524 -6.0524 -6.0188 -6.0188 -5.2699 -5.2699 -5.2319 -5.2319 -5.1122 -5.1122 -5.0650 -5.0650 -0.6162 -0.6162 0.2034 0.2034 0.2841 0.2841 0.3230 0.3230 0.4089 0.4089 0.4617 0.4617 2.7437 2.7437 2.8934 2.8934 2.9676 2.9676 3.0450 3.0450 3.1451 3.1451 3.1799 3.1799 3.6891 3.6891 3.9966 3.9966 4.1156 4.1156 4.2985 4.2985 4.4241 4.4241 6.3265 6.3265 7.2839 7.2839 9.6651 9.6651 k = 0.2260 0.7069 0.5484 ( 16451 PWs) bands (ev): -67.3125 -67.3125 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2880 -21.2880 -21.2861 -21.2861 -11.1767 -11.1767 -11.1254 -11.1254 -9.3099 -9.3099 -9.3030 -9.3030 -6.0517 -6.0517 -6.0194 -6.0194 -5.2697 -5.2697 -5.2322 -5.2322 -5.1103 -5.1103 -5.0663 -5.0663 -0.6134 -0.6134 0.2026 0.2026 0.2790 0.2790 0.3277 0.3277 0.4107 0.4107 0.4569 0.4569 2.7498 2.7498 2.8976 2.8976 2.9627 2.9627 3.0380 3.0380 3.1411 3.1411 3.1868 3.1868 3.6893 3.6893 3.9972 3.9972 4.1187 4.1187 4.3009 4.3009 4.4252 4.4252 6.3194 6.3194 7.2859 7.2859 9.6690 9.6690 k = 0.2009 0.7017 0.5541 ( 16458 PWs) bands (ev): -67.3126 -67.3126 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2881 -21.2881 -21.2860 -21.2860 -11.1801 -11.1801 -11.1214 -11.1214 -9.3111 -9.3111 -9.3033 -9.3033 -6.0509 -6.0509 -6.0200 -6.0200 -5.2694 -5.2694 -5.2325 -5.2325 -5.1082 -5.1082 -5.0679 -5.0679 -0.6103 -0.6103 0.2019 0.2019 0.2736 0.2736 0.3326 0.3326 0.4094 0.4094 0.4550 0.4550 2.7562 2.7562 2.9011 2.9011 2.9583 2.9583 3.0301 3.0301 3.1367 3.1367 3.1943 3.1943 3.6883 3.6883 3.9968 3.9968 4.1202 4.1202 4.3034 4.3034 4.4256 4.4256 6.3134 6.3134 7.2868 7.2868 9.6725 9.6725 k = 0.1758 0.6964 0.5598 ( 16458 PWs) bands (ev): -67.3126 -67.3126 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2882 -21.2882 -21.2858 -21.2858 -11.1833 -11.1833 -11.1176 -11.1176 -9.3122 -9.3122 -9.3036 -9.3036 -6.0501 -6.0501 -6.0206 -6.0206 -5.2690 -5.2690 -5.2330 -5.2330 -5.1060 -5.1060 -5.0698 -5.0698 -0.6069 -0.6069 0.2014 0.2014 0.2684 0.2684 0.3373 0.3373 0.4051 0.4051 0.4559 0.4559 2.7629 2.7629 2.9037 2.9037 2.9551 2.9551 3.0216 3.0216 3.1323 3.1323 3.2017 3.2017 3.6878 3.6878 3.9962 3.9962 4.1219 4.1219 4.3061 4.3061 4.4264 4.4264 6.3083 6.3083 7.2876 7.2876 9.6754 9.6754 k = 0.1507 0.6912 0.5656 ( 16465 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2884 -21.2884 -21.2857 -21.2857 -11.1863 -11.1863 -11.1140 -11.1140 -9.3131 -9.3131 -9.3039 -9.3039 -6.0494 -6.0494 -6.0212 -6.0212 -5.2686 -5.2686 -5.2335 -5.2335 -5.1036 -5.1036 -5.0718 -5.0718 -0.6035 -0.6035 0.2010 0.2010 0.2635 0.2635 0.3417 0.3417 0.3993 0.3993 0.4583 0.4583 2.7696 2.7696 2.9053 2.9053 2.9531 2.9531 3.0127 3.0127 3.1280 3.1280 3.2086 3.2086 3.6863 3.6863 3.9958 3.9958 4.1233 4.1233 4.3085 4.3085 4.4270 4.4270 6.3043 6.3043 7.2875 7.2875 9.6779 9.6779 k = 0.1256 0.6860 0.5713 ( 16479 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2885 -21.2885 -21.2856 -21.2856 -11.1889 -11.1889 -11.1109 -11.1109 -9.3140 -9.3140 -9.3041 -9.3041 -6.0487 -6.0487 -6.0218 -6.0218 -5.2682 -5.2682 -5.2340 -5.2340 -5.1011 -5.1011 -5.0740 -5.0740 -0.6003 -0.6003 0.2008 0.2008 0.2592 0.2592 0.3456 0.3456 0.3928 0.3928 0.4613 0.4613 2.7759 2.7759 2.9059 2.9059 2.9526 2.9526 3.0038 3.0038 3.1241 3.1241 3.2148 3.2148 3.6848 3.6848 3.9951 3.9951 4.1243 4.1243 4.3099 4.3099 4.4275 4.4275 6.3011 6.3011 7.2870 7.2870 9.6799 9.6799 k = 0.1005 0.6808 0.5770 ( 16477 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2885 -21.2885 -21.2855 -21.2855 -11.1912 -11.1912 -11.1082 -11.1082 -9.3147 -9.3147 -9.3043 -9.3043 -6.0480 -6.0480 -6.0223 -6.0223 -5.2678 -5.2678 -5.2345 -5.2345 -5.0985 -5.0985 -5.0764 -5.0764 -0.5973 -0.5973 0.2008 0.2008 0.2554 0.2554 0.3490 0.3490 0.3867 0.3867 0.4642 0.4642 2.7817 2.7817 2.9061 2.9061 2.9532 2.9532 2.9952 2.9952 3.1207 3.1207 3.2200 3.2200 3.6841 3.6841 3.9953 3.9953 4.1254 4.1254 4.3115 4.3115 4.4283 4.4283 6.2988 6.2988 7.2869 7.2869 9.6815 9.6815 k = 0.0753 0.6756 0.5828 ( 16499 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2886 -21.2886 -21.2854 -21.2854 -11.1929 -11.1929 -11.1061 -11.1061 -9.3153 -9.3153 -9.3044 -9.3044 -6.0475 -6.0475 -6.0227 -6.0227 -5.2674 -5.2674 -5.2349 -5.2349 -5.0959 -5.0959 -5.0789 -5.0789 -0.5948 -0.5948 0.2010 0.2010 0.2523 0.2523 0.3519 0.3519 0.3813 0.3813 0.4668 0.4668 2.7865 2.7865 2.9060 2.9060 2.9546 2.9546 2.9872 2.9872 3.1179 3.1179 3.2243 3.2243 3.6824 3.6824 3.9944 3.9944 4.1254 4.1254 4.3123 4.3123 4.4280 4.4280 6.2971 6.2971 7.2858 7.2858 9.6828 9.6828 k = 0.0502 0.6704 0.5885 ( 16503 PWs) bands (ev): -67.3137 -67.3137 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2887 -21.2887 -21.2854 -21.2854 -11.1942 -11.1942 -11.1046 -11.1046 -9.3157 -9.3157 -9.3046 -9.3046 -6.0471 -6.0471 -6.0231 -6.0231 -5.2671 -5.2671 -5.2353 -5.2353 -5.0932 -5.0932 -5.0814 -5.0814 -0.5930 -0.5930 0.2012 0.2012 0.2499 0.2499 0.3541 0.3541 0.3771 0.3771 0.4687 0.4687 2.7902 2.7902 2.9061 2.9061 2.9565 2.9565 2.9803 2.9803 3.1158 3.1158 3.2273 3.2273 3.6818 3.6818 3.9939 3.9939 4.1256 4.1256 4.3137 4.3137 4.4282 4.4282 6.2960 6.2960 7.2852 7.2852 9.6836 9.6836 k = 0.0251 0.6652 0.5942 ( 16513 PWs) bands (ev): -67.3139 -67.3139 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2887 -21.2887 -21.2853 -21.2853 -11.1950 -11.1950 -11.1036 -11.1036 -9.3160 -9.3160 -9.3046 -9.3046 -6.0468 -6.0468 -6.0233 -6.0233 -5.2670 -5.2670 -5.2355 -5.2355 -5.0907 -5.0907 -5.0839 -5.0839 -0.5918 -0.5918 0.2014 0.2014 0.2485 0.2485 0.3555 0.3555 0.3743 0.3743 0.4699 0.4699 2.7925 2.7925 2.9061 2.9061 2.9584 2.9584 2.9752 2.9752 3.1146 3.1146 3.2292 3.2292 3.6813 3.6813 3.9935 3.9935 4.1254 4.1254 4.3138 4.3138 4.4280 4.4280 6.2954 6.2954 7.2849 7.2849 9.6842 9.6842 k = 0.0000 0.6600 0.6000 ( 16506 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2887 -21.2887 -21.2853 -21.2853 -11.1952 -11.1952 -11.1033 -11.1033 -9.3161 -9.3161 -9.3046 -9.3046 -6.0467 -6.0467 -6.0234 -6.0234 -5.2669 -5.2669 -5.2356 -5.2356 -5.0893 -5.0893 -5.0853 -5.0853 -0.5913 -0.5913 0.2015 0.2015 0.2480 0.2480 0.3560 0.3560 0.3734 0.3734 0.4703 0.4703 2.7934 2.7934 2.9062 2.9062 2.9594 2.9594 2.9732 2.9732 3.1141 3.1141 3.2298 3.2298 3.6816 3.6816 3.9937 3.9937 4.1258 4.1258 4.3144 4.3144 4.4281 4.4281 6.2952 6.2952 7.2850 7.2850 9.6843 9.6843 k = 0.0000 0.6600 0.6000 ( 16506 PWs) bands (ev): -67.3138 -67.3138 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2887 -21.2887 -21.2853 -21.2853 -11.1952 -11.1952 -11.1033 -11.1033 -9.3161 -9.3161 -9.3046 -9.3046 -6.0467 -6.0467 -6.0234 -6.0234 -5.2669 -5.2669 -5.2356 -5.2356 -5.0893 -5.0893 -5.0853 -5.0853 -0.5913 -0.5913 0.2015 0.2015 0.2480 0.2480 0.3560 0.3560 0.3734 0.3734 0.4703 0.4703 2.7934 2.7934 2.9062 2.9062 2.9594 2.9594 2.9732 2.9732 3.1141 3.1141 3.2298 3.2298 3.6816 3.6816 3.9937 3.9937 4.1258 4.1258 4.3144 4.3144 4.4281 4.4281 6.2952 6.2952 7.2850 7.2850 9.6843 9.6843 k = 0.0081 0.6424 0.6193 ( 16502 PWs) bands (ev): -67.3137 -67.3137 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2887 -21.2887 -21.2853 -21.2853 -11.1950 -11.1950 -11.1031 -11.1031 -9.3166 -9.3166 -9.3051 -9.3051 -6.0475 -6.0475 -6.0226 -6.0226 -5.2674 -5.2674 -5.2356 -5.2356 -5.0901 -5.0901 -5.0840 -5.0840 -0.5919 -0.5919 0.1972 0.1972 0.2495 0.2495 0.3411 0.3411 0.3906 0.3906 0.4740 0.4740 2.7926 2.7926 2.9054 2.9054 2.9569 2.9569 2.9763 2.9763 3.1146 3.1146 3.2302 3.2302 3.6825 3.6825 3.9936 3.9936 4.1259 4.1259 4.3145 4.3145 4.4284 4.4284 6.2964 6.2964 7.2850 7.2850 9.6739 9.6739 k = 0.0161 0.6248 0.6387 ( 16492 PWs) bands (ev): -67.3134 -67.3134 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2887 -21.2887 -21.2853 -21.2853 -11.1943 -11.1943 -11.1024 -11.1024 -9.3180 -9.3180 -9.3066 -9.3066 -6.0497 -6.0497 -6.0206 -6.0206 -5.2688 -5.2688 -5.2357 -5.2357 -5.0913 -5.0913 -5.0812 -5.0812 -0.5934 -0.5934 0.1861 0.1861 0.2525 0.2525 0.3226 0.3226 0.4163 0.4163 0.4846 0.4846 2.7902 2.7902 2.9027 2.9027 2.9524 2.9524 2.9825 2.9825 3.1159 3.1159 3.2313 3.2313 3.6854 3.6854 3.9938 3.9938 4.1262 4.1262 4.3148 4.3148 4.4285 4.4285 6.3003 6.3003 7.2851 7.2851 9.6437 9.6437 k = 0.0242 0.6072 0.6580 ( 16496 PWs) bands (ev): -67.3135 -67.3135 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2886 -21.2886 -21.2852 -21.2852 -11.1932 -11.1932 -11.1012 -11.1012 -9.3204 -9.3204 -9.3090 -9.3090 -6.0528 -6.0528 -6.0179 -6.0179 -5.2710 -5.2710 -5.2360 -5.2360 -5.0923 -5.0923 -5.0779 -5.0779 -0.5959 -0.5959 0.1711 0.1711 0.2547 0.2547 0.3070 0.3070 0.4441 0.4441 0.5011 0.5011 2.7861 2.7861 2.8983 2.8983 2.9480 2.9480 2.9894 2.9894 3.1181 3.1181 3.2331 3.2331 3.6902 3.6902 3.9927 3.9927 4.1258 4.1258 4.3148 4.3148 4.4269 4.4269 6.3066 6.3066 7.2852 7.2852 9.5962 9.5962 k = 0.0323 0.5896 0.6774 ( 16480 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2886 -21.2886 -21.2852 -21.2852 -11.1917 -11.1917 -11.0995 -11.0995 -9.3237 -9.3237 -9.3124 -9.3124 -6.0562 -6.0562 -6.0149 -6.0149 -5.2738 -5.2738 -5.2365 -5.2365 -5.0928 -5.0928 -5.0740 -5.0740 -0.5993 -0.5993 0.1541 0.1541 0.2545 0.2545 0.2958 0.2958 0.4734 0.4734 0.5223 0.5223 2.7803 2.7803 2.8928 2.8928 2.9448 2.9448 2.9965 2.9965 3.1213 3.1213 3.2356 3.2356 3.6971 3.6971 3.9916 3.9916 4.1264 4.1264 4.3152 4.3152 4.4269 4.4269 6.3154 6.3154 7.2853 7.2853 9.5346 9.5346 k = 0.0403 0.5720 0.6967 ( 16480 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2885 -21.2885 -21.2851 -21.2851 -11.1897 -11.1897 -11.0974 -11.0974 -9.3278 -9.3278 -9.3167 -9.3167 -6.0598 -6.0598 -6.0119 -6.0119 -5.2771 -5.2771 -5.2374 -5.2374 -5.0930 -5.0930 -5.0698 -5.0698 -0.6036 -0.6036 0.1360 0.1360 0.2510 0.2510 0.2898 0.2898 0.5040 0.5040 0.5470 0.5470 2.7727 2.7727 2.8859 2.8859 2.9425 2.9425 3.0032 3.0032 3.1253 3.1253 3.2387 3.2387 3.7053 3.7053 3.9903 3.9903 4.1265 4.1265 4.3153 4.3153 4.4246 4.4246 6.3265 6.3265 7.2850 7.2850 9.4625 9.4625 k = 0.0484 0.5544 0.7161 ( 16484 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2884 -21.2884 -21.2850 -21.2850 -11.1874 -11.1874 -11.0949 -11.0949 -9.3328 -9.3328 -9.3218 -9.3218 -6.0633 -6.0633 -6.0091 -6.0091 -5.2807 -5.2807 -5.2386 -5.2386 -5.0928 -5.0928 -5.0652 -5.0652 -0.6088 -0.6088 0.1178 0.1178 0.2454 0.2454 0.2883 0.2883 0.5355 0.5355 0.5742 0.5742 2.7632 2.7632 2.8782 2.8782 2.9415 2.9415 3.0096 3.0096 3.1302 3.1302 3.2423 3.2423 3.7151 3.7151 3.9881 3.9881 4.1263 4.1263 4.3153 4.3153 4.4220 4.4220 6.3398 6.3398 7.2842 7.2842 9.3828 9.3828 k = 0.0565 0.5368 0.7354 ( 16486 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2883 -21.2883 -21.2850 -21.2850 -11.1846 -11.1846 -11.0919 -11.0919 -9.3386 -9.3386 -9.3278 -9.3278 -6.0668 -6.0668 -6.0065 -6.0065 -5.2845 -5.2845 -5.2402 -5.2402 -5.0923 -5.0923 -5.0605 -5.0605 -0.6147 -0.6147 0.0998 0.0998 0.2396 0.2396 0.2894 0.2894 0.5676 0.5676 0.6031 0.6031 2.7520 2.7520 2.8700 2.8700 2.9417 2.9417 3.0156 3.0156 3.1360 3.1360 3.2465 3.2465 3.7263 3.7263 3.9852 3.9852 4.1267 4.1267 4.3151 4.3151 4.4198 4.4198 6.3553 6.3553 7.2826 7.2826 9.2982 9.2982 k = 0.0645 0.5192 0.7548 ( 16480 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2882 -21.2882 -21.2849 -21.2849 -11.1815 -11.1815 -11.0886 -11.0886 -9.3452 -9.3452 -9.3345 -9.3345 -6.0700 -6.0700 -6.0042 -6.0042 -5.2883 -5.2883 -5.2421 -5.2421 -5.0915 -5.0915 -5.0557 -5.0557 -0.6212 -0.6212 0.0825 0.0825 0.2348 0.2348 0.2918 0.2918 0.6003 0.6003 0.6332 0.6332 2.7392 2.7392 2.8613 2.8613 2.9433 2.9433 3.0212 3.0212 3.1426 3.1426 3.2510 3.2510 3.7396 3.7396 3.9826 3.9826 4.1271 4.1271 4.3160 4.3160 4.4167 4.4167 6.3728 6.3728 7.2805 7.2805 9.2107 9.2107 k = 0.0726 0.5016 0.7741 ( 16484 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2881 -21.2881 -21.2847 -21.2847 -11.1781 -11.1781 -11.0849 -11.0849 -9.3524 -9.3524 -9.3419 -9.3419 -6.0730 -6.0730 -6.0024 -6.0024 -5.2921 -5.2921 -5.2444 -5.2444 -5.0905 -5.0905 -5.0509 -5.0509 -0.6283 -0.6283 0.0661 0.0661 0.2317 0.2317 0.2950 0.2950 0.6331 0.6331 0.6640 0.6640 2.7248 2.7248 2.8524 2.8524 2.9460 2.9460 3.0265 3.0265 3.1499 3.1499 3.2559 3.2559 3.7539 3.7539 3.9800 3.9800 4.1268 4.1268 4.3159 4.3159 4.4132 4.4132 6.3920 6.3920 7.2772 7.2772 9.1222 9.1222 k = 0.0806 0.4841 0.7935 ( 16480 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2880 -21.2880 -21.2846 -21.2846 -11.1744 -11.1744 -11.0808 -11.0808 -9.3602 -9.3602 -9.3500 -9.3500 -6.0757 -6.0757 -6.0009 -6.0009 -5.2958 -5.2958 -5.2470 -5.2470 -5.0892 -5.0892 -5.0461 -5.0461 -0.6357 -0.6357 0.0507 0.0507 0.2304 0.2304 0.2987 0.2987 0.6658 0.6658 0.6950 0.6950 2.7090 2.7090 2.8434 2.8434 2.9500 2.9500 3.0317 3.0317 3.1578 3.1578 3.2609 3.2609 3.7696 3.7696 3.9776 3.9776 4.1268 4.1268 4.3159 4.3159 4.4102 4.4102 6.4130 6.4130 7.2725 7.2725 9.0340 9.0340 k = 0.0887 0.4665 0.8128 ( 16484 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2879 -21.2879 -21.2845 -21.2845 -11.1704 -11.1704 -11.0765 -11.0765 -9.3685 -9.3685 -9.3586 -9.3586 -6.0781 -6.0781 -5.9999 -5.9999 -5.2994 -5.2994 -5.2498 -5.2498 -5.0876 -5.0876 -5.0415 -5.0415 -0.6435 -0.6435 0.0364 0.0364 0.2310 0.2310 0.3027 0.3027 0.6983 0.6983 0.7259 0.7259 2.6921 2.6921 2.8343 2.8343 2.9552 2.9552 3.0368 3.0368 3.1661 3.1661 3.2662 3.2662 3.7864 3.7864 3.9742 3.9742 4.1268 4.1268 4.3159 4.3159 4.4063 4.4063 6.4354 6.4354 7.2661 7.2661 8.9474 8.9474 k = 0.0968 0.4489 0.8322 ( 16488 PWs) bands (ev): -67.3133 -67.3133 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2877 -21.2877 -21.2844 -21.2844 -11.1661 -11.1661 -11.0719 -11.0719 -9.3772 -9.3772 -9.3677 -9.3677 -6.0802 -6.0802 -5.9994 -5.9994 -5.3028 -5.3028 -5.2528 -5.2528 -5.0859 -5.0859 -5.0371 -5.0371 -0.6516 -0.6516 0.0232 0.0232 0.2333 0.2333 0.3071 0.3071 0.7304 0.7304 0.7564 0.7564 2.6742 2.6742 2.8252 2.8252 2.9615 2.9615 3.0420 3.0420 3.1747 3.1747 3.2715 3.2715 3.8042 3.8042 3.9706 3.9706 4.1265 4.1265 4.3162 4.3162 4.4026 4.4026 6.4591 6.4591 7.2575 7.2575 8.8635 8.8635 k = 0.1048 0.4313 0.8515 ( 16488 PWs) bands (ev): -67.3132 -67.3132 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2876 -21.2876 -21.2842 -21.2842 -11.1617 -11.1617 -11.0671 -11.0671 -9.3863 -9.3863 -9.3772 -9.3772 -6.0819 -6.0819 -5.9993 -5.9993 -5.3060 -5.3060 -5.2559 -5.2559 -5.0840 -5.0840 -5.0329 -5.0329 -0.6597 -0.6597 0.0113 0.0113 0.2373 0.2373 0.3116 0.3116 0.7617 0.7617 0.7863 0.7863 2.6556 2.6556 2.8161 2.8161 2.9688 2.9688 3.0474 3.0474 3.1836 3.1836 3.2768 3.2768 3.8235 3.8235 3.9669 3.9669 4.1267 4.1267 4.3162 4.3162 4.3988 4.3988 6.4839 6.4839 7.2469 7.2469 8.7833 8.7833 k = 0.1129 0.4137 0.8709 ( 16486 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2875 -21.2875 -21.2841 -21.2841 -11.1571 -11.1571 -11.0621 -11.0621 -9.3957 -9.3957 -9.3869 -9.3869 -6.0833 -6.0833 -5.9997 -5.9997 -5.3089 -5.3089 -5.2592 -5.2592 -5.0819 -5.0819 -5.0291 -5.0291 -0.6677 -0.6677 0.0006 0.0006 0.2427 0.2427 0.3164 0.3164 0.7922 0.7922 0.8153 0.8153 2.6365 2.6365 2.8072 2.8072 2.9771 2.9771 3.0532 3.0532 3.1927 3.1927 3.2819 3.2819 3.8436 3.8436 3.9634 3.9634 4.1267 4.1267 4.3161 4.3161 4.3953 4.3953 6.5096 6.5096 7.2337 7.2337 8.7075 8.7075 k = 0.1210 0.3961 0.8903 ( 16490 PWs) bands (ev): -67.3133 -67.3133 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2873 -21.2873 -21.2839 -21.2839 -11.1524 -11.1524 -11.0570 -11.0570 -9.4052 -9.4052 -9.3969 -9.3969 -6.0843 -6.0843 -6.0005 -6.0005 -5.3117 -5.3117 -5.2624 -5.2624 -5.0797 -5.0797 -5.0257 -5.0257 -0.6757 -0.6757 -0.0091 -0.0091 0.2494 0.2494 0.3212 0.3212 0.8216 0.8216 0.8433 0.8433 2.6169 2.6169 2.7983 2.7983 2.9865 2.9865 3.0594 3.0594 3.2017 3.2017 3.2868 3.2868 3.8638 3.8638 3.9598 3.9598 4.1266 4.1266 4.3163 4.3163 4.3911 4.3911 6.5360 6.5360 7.2173 7.2173 8.6369 8.6369 k = 0.1290 0.3785 0.9096 ( 16494 PWs) bands (ev): -67.3134 -67.3134 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2872 -21.2872 -21.2838 -21.2838 -11.1476 -11.1476 -11.0518 -11.0518 -9.4148 -9.4148 -9.4069 -9.4069 -6.0849 -6.0849 -6.0017 -6.0017 -5.3142 -5.3142 -5.2657 -5.2657 -5.0773 -5.0773 -5.0227 -5.0227 -0.6835 -0.6835 -0.0176 -0.0176 0.2573 0.2573 0.3261 0.3261 0.8499 0.8499 0.8701 0.8701 2.5973 2.5973 2.7896 2.7896 2.9966 2.9966 3.0660 3.0660 3.2106 3.2106 3.2914 3.2914 3.8843 3.8843 3.9568 3.9568 4.1263 4.1263 4.3165 4.3165 4.3870 4.3870 6.5629 6.5629 7.1980 7.1980 8.5720 8.5720 k = 0.1371 0.3609 0.9290 ( 16498 PWs) bands (ev): -67.3134 -67.3134 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2870 -21.2870 -21.2836 -21.2836 -11.1428 -11.1428 -11.0466 -11.0466 -9.4244 -9.4244 -9.4170 -9.4170 -6.0851 -6.0851 -6.0034 -6.0034 -5.3165 -5.3165 -5.2690 -5.2690 -5.0747 -5.0747 -5.0201 -5.0201 -0.6910 -0.6910 -0.0250 -0.0250 0.2660 0.2660 0.3311 0.3311 0.8767 0.8767 0.8956 0.8956 2.5777 2.5777 2.7810 2.7810 3.0076 3.0076 3.0732 3.0732 3.2193 3.2193 3.2957 3.2957 3.9047 3.9047 3.9541 3.9541 4.1260 4.1260 4.3167 4.3167 4.3829 4.3829 6.5901 6.5901 7.1756 7.1756 8.5132 8.5132 k = 0.1452 0.3433 0.9483 ( 16496 PWs) bands (ev): -67.3134 -67.3134 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2869 -21.2869 -21.2835 -21.2835 -11.1380 -11.1380 -11.0414 -11.0414 -9.4338 -9.4338 -9.4269 -9.4269 -6.0850 -6.0850 -6.0054 -6.0054 -5.3185 -5.3185 -5.2721 -5.2721 -5.0721 -5.0721 -5.0180 -5.0180 -0.6982 -0.6982 -0.0315 -0.0315 0.2753 0.2753 0.3360 0.3360 0.9021 0.9021 0.9196 0.9196 2.5584 2.5584 2.7726 2.7726 3.0192 3.0192 3.0808 3.0808 3.2278 3.2278 3.2994 3.2994 3.9230 3.9230 3.9541 3.9541 4.1265 4.1265 4.3168 4.3168 4.3794 4.3794 6.6173 6.6173 7.1503 7.1503 8.4608 8.4608 k = 0.1532 0.3257 0.9677 ( 16492 PWs) bands (ev): -67.3133 -67.3133 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2867 -21.2867 -21.2833 -21.2833 -11.1334 -11.1334 -11.0363 -11.0363 -9.4430 -9.4430 -9.4366 -9.4366 -6.0846 -6.0846 -6.0077 -6.0077 -5.3204 -5.3204 -5.2752 -5.2752 -5.0692 -5.0692 -5.0163 -5.0163 -0.7050 -0.7050 -0.0370 -0.0370 0.2852 0.2852 0.3408 0.3408 0.9259 0.9259 0.9420 0.9420 2.5395 2.5395 2.7645 2.7645 3.0314 3.0314 3.0889 3.0889 3.2360 3.2360 3.3026 3.3026 3.9339 3.9339 3.9614 3.9614 4.1267 4.1267 4.3175 4.3175 4.3761 4.3761 6.6444 6.6444 7.1224 7.1224 8.4146 8.4146 k = 0.1613 0.3081 0.9870 ( 16492 PWs) bands (ev): -67.3133 -67.3133 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2866 -21.2866 -21.2832 -21.2832 -11.1288 -11.1288 -11.0313 -11.0313 -9.4519 -9.4519 -9.4461 -9.4461 -6.0838 -6.0838 -6.0103 -6.0103 -5.3221 -5.3221 -5.2780 -5.2780 -5.0663 -5.0663 -5.0151 -5.0151 -0.7114 -0.7114 -0.0417 -0.0417 0.2952 0.2952 0.3454 0.3454 0.9480 0.9480 0.9628 0.9628 2.5213 2.5213 2.7566 2.7566 3.0440 3.0440 3.0972 3.0972 3.2438 3.2438 3.3052 3.3052 3.9354 3.9354 3.9782 3.9782 4.1271 4.1271 4.3174 4.3174 4.3725 4.3725 6.6710 6.6710 7.0926 7.0926 8.3748 8.3748 k = 0.1694 0.2905 1.0064 ( 16484 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2865 -21.2865 -21.2831 -21.2831 -11.1244 -11.1244 -11.0265 -11.0265 -9.4603 -9.4603 -9.4551 -9.4551 -6.0827 -6.0827 -6.0132 -6.0132 -5.3237 -5.3237 -5.2808 -5.2808 -5.0633 -5.0633 -5.0143 -5.0143 -0.7172 -0.7172 -0.0457 -0.0457 0.3053 0.3053 0.3499 0.3499 0.9683 0.9683 0.9819 0.9819 2.5039 2.5039 2.7491 2.7491 3.0569 3.0569 3.1056 3.1056 3.2512 3.2512 3.3071 3.3071 3.9345 3.9345 3.9980 3.9980 4.1274 4.1274 4.3177 4.3177 4.3696 4.3696 6.6969 6.6969 7.0613 7.0613 8.3409 8.3409 k = 0.1774 0.2729 1.0257 ( 16478 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2863 -21.2863 -21.2830 -21.2830 -11.1203 -11.1203 -11.0220 -11.0220 -9.4683 -9.4683 -9.4636 -9.4636 -6.0813 -6.0813 -6.0163 -6.0163 -5.3250 -5.3250 -5.2833 -5.2833 -5.0602 -5.0602 -5.0140 -5.0140 -0.7226 -0.7226 -0.0490 -0.0490 0.3151 0.3151 0.3541 0.3541 0.9868 0.9868 0.9992 0.9992 2.4876 2.4876 2.7420 2.7420 3.0698 3.0698 3.1140 3.1140 3.2581 3.2581 3.3084 3.3084 3.9325 3.9325 4.0179 4.0179 4.1281 4.1281 4.3175 4.3175 4.3668 4.3668 6.7217 6.7217 7.0293 7.0293 8.3124 8.3124 k = 0.1855 0.2553 1.0451 ( 16474 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2862 -21.2862 -21.2828 -21.2828 -11.1165 -11.1165 -11.0178 -11.0178 -9.4756 -9.4756 -9.4715 -9.4715 -6.0797 -6.0797 -6.0195 -6.0195 -5.3263 -5.3263 -5.2855 -5.2855 -5.0570 -5.0570 -5.0141 -5.0141 -0.7274 -0.7274 -0.0517 -0.0517 0.3246 0.3246 0.3581 0.3581 1.0034 1.0034 1.0148 1.0148 2.4724 2.4724 2.7354 2.7354 3.0826 3.0826 3.1221 3.1221 3.2644 3.2644 3.3089 3.3089 3.9310 3.9310 4.0370 4.0370 4.1286 4.1286 4.3171 4.3171 4.3638 4.3638 6.7453 6.7453 6.9976 6.9976 8.2890 8.2890 k = 0.1935 0.2377 1.0644 ( 16468 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2861 -21.2861 -21.2827 -21.2827 -11.1129 -11.1129 -11.0139 -11.0139 -9.4823 -9.4823 -9.4787 -9.4787 -6.0778 -6.0778 -6.0228 -6.0228 -5.3274 -5.3274 -5.2876 -5.2876 -5.0538 -5.0538 -5.0146 -5.0146 -0.7317 -0.7317 -0.0539 -0.0539 0.3335 0.3335 0.3616 0.3616 1.0181 1.0181 1.0285 1.0285 2.4586 2.4586 2.7294 2.7294 3.0951 3.0951 3.1298 3.1298 3.2702 3.2702 3.3088 3.3088 3.9294 3.9294 4.0551 4.0551 4.1290 4.1290 4.3168 4.3168 4.3614 4.3614 6.7671 6.7671 6.9670 6.9670 8.2700 8.2700 k = 0.2016 0.2202 1.0838 ( 16466 PWs) bands (ev): -67.3126 -67.3126 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2860 -21.2860 -21.2827 -21.2827 -11.1098 -11.1098 -11.0105 -11.0105 -9.4882 -9.4882 -9.4852 -9.4852 -6.0757 -6.0757 -6.0262 -6.0262 -5.3283 -5.3283 -5.2894 -5.2894 -5.0506 -5.0506 -5.0155 -5.0155 -0.7354 -0.7354 -0.0556 -0.0556 0.3415 0.3415 0.3649 0.3649 1.0309 1.0309 1.0405 1.0405 2.4462 2.4462 2.7240 2.7240 3.1071 3.1071 3.1369 3.1369 3.2754 3.2754 3.3081 3.3081 3.9282 3.9282 4.0710 4.0710 4.1292 4.1292 4.3164 4.3164 4.3594 4.3594 6.7870 6.7870 6.9383 6.9383 8.2546 8.2546 k = 0.2097 0.2026 1.1031 ( 16460 PWs) bands (ev): -67.3125 -67.3125 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2860 -21.2860 -21.2826 -21.2826 -11.1071 -11.1071 -11.0075 -11.0075 -9.4933 -9.4933 -9.4908 -9.4908 -6.0736 -6.0736 -6.0295 -6.0295 -5.3291 -5.3291 -5.2909 -5.2909 -5.0475 -5.0475 -5.0167 -5.0167 -0.7386 -0.7386 -0.0570 -0.0570 0.3487 0.3487 0.3677 0.3677 1.0417 1.0417 1.0506 1.0506 2.4355 2.4355 2.7192 2.7192 3.1182 3.1182 3.1430 3.1430 3.2800 3.2800 3.3069 3.3069 3.9272 3.9272 4.0855 4.0855 4.1296 4.1296 4.3159 4.3159 4.3579 4.3579 6.8045 6.8045 6.9126 6.9126 8.2427 8.2427 k = 0.2177 0.1850 1.1225 ( 16452 PWs) bands (ev): -67.3123 -67.3123 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2859 -21.2859 -21.2825 -21.2825 -11.1048 -11.1048 -11.0049 -11.0049 -9.4975 -9.4975 -9.4955 -9.4955 -6.0714 -6.0714 -6.0326 -6.0326 -5.3298 -5.3298 -5.2921 -5.2921 -5.0445 -5.0445 -5.0181 -5.0181 -0.7412 -0.7412 -0.0580 -0.0580 0.3547 0.3547 0.3700 0.3700 1.0506 1.0506 1.0589 1.0589 2.4266 2.4266 2.7153 2.7153 3.1282 3.1282 3.1481 3.1481 3.2840 3.2840 3.3053 3.3053 3.9267 3.9267 4.0977 4.0977 4.1298 4.1298 4.3155 4.3155 4.3569 4.3569 6.8192 6.8192 6.8905 6.8905 8.2336 8.2336 k = 0.2258 0.1674 1.1418 ( 16450 PWs) bands (ev): -67.3122 -67.3122 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2825 -21.2825 -11.1030 -11.1030 -11.0029 -11.0029 -9.5008 -9.5008 -9.4993 -9.4993 -6.0692 -6.0692 -6.0355 -6.0355 -5.3303 -5.3303 -5.2931 -5.2931 -5.0417 -5.0417 -5.0197 -5.0197 -0.7432 -0.7432 -0.0588 -0.0588 0.3595 0.3595 0.3719 0.3719 1.0574 1.0574 1.0653 1.0653 2.4195 2.4195 2.7122 2.7122 3.1369 3.1369 3.1517 3.1517 3.2874 3.2874 3.3034 3.3034 3.9258 3.9258 4.1073 4.1073 4.1301 4.1301 4.3150 4.3150 4.3560 4.3560 6.8308 6.8308 6.8729 6.8729 8.2268 8.2268 k = 0.2339 0.1498 1.1612 ( 16448 PWs) bands (ev): -67.3122 -67.3122 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1016 -11.1016 -11.0015 -11.0015 -9.5031 -9.5031 -9.5021 -9.5021 -6.0674 -6.0674 -6.0378 -6.0378 -5.3306 -5.3306 -5.2938 -5.2938 -5.0392 -5.0392 -5.0212 -5.0212 -0.7447 -0.7447 -0.0593 -0.0593 0.3630 0.3630 0.3733 0.3733 1.0623 1.0623 1.0700 1.0700 2.4144 2.4144 2.7099 2.7099 3.1440 3.1440 3.1539 3.1539 3.2902 3.2902 3.3015 3.3015 3.9253 3.9253 4.1141 4.1141 4.1309 4.1309 4.3144 4.3144 4.3552 4.3552 6.8385 6.8385 6.8607 6.8607 8.2223 8.2223 k = 0.2419 0.1322 1.1806 ( 16450 PWs) bands (ev): -67.3122 -67.3122 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1008 -11.1008 -11.0006 -11.0006 -9.5044 -9.5044 -9.5039 -9.5039 -6.0661 -6.0661 -6.0394 -6.0394 -5.3309 -5.3309 -5.2942 -5.2942 -5.0375 -5.0375 -5.0224 -5.0224 -0.7455 -0.7455 -0.0596 -0.0596 0.3651 0.3651 0.3741 0.3741 1.0653 1.0653 1.0727 1.0727 2.4113 2.4113 2.7085 2.7085 3.1493 3.1493 3.1542 3.1542 3.2923 3.2923 3.2998 3.2998 3.9247 3.9247 4.1181 4.1181 4.1313 4.1313 4.3140 4.3140 4.3547 4.3547 6.8413 6.8413 6.8551 6.8551 8.2197 8.2197 k = 0.2500 0.1146 1.1999 ( 16456 PWs) bands (ev): -67.3124 -67.3124 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5047 -9.5047 -6.0657 -6.0657 -6.0400 -6.0400 -5.3309 -5.3309 -5.2944 -5.2944 -5.0368 -5.0368 -5.0229 -5.0229 -0.7458 -0.7458 -0.0597 -0.0597 0.3658 0.3658 0.3744 0.3744 1.0662 1.0662 1.0736 1.0736 2.4103 2.4103 2.7081 2.7081 3.1527 3.1527 3.1528 3.1528 3.2931 3.2931 3.2989 3.2989 3.9242 3.9242 4.1193 4.1193 4.1316 4.1316 4.3135 4.3135 4.3542 4.3542 6.8412 6.8412 6.8542 6.8542 8.2188 8.2188 k = 0.2500 0.1146 1.1999 ( 16456 PWs) bands (ev): -67.3124 -67.3124 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5047 -9.5047 -6.0657 -6.0657 -6.0400 -6.0400 -5.3309 -5.3309 -5.2944 -5.2944 -5.0368 -5.0368 -5.0229 -5.0229 -0.7458 -0.7458 -0.0597 -0.0597 0.3658 0.3658 0.3744 0.3744 1.0662 1.0662 1.0736 1.0736 2.4103 2.4103 2.7081 2.7081 3.1527 3.1527 3.1528 3.1528 3.2931 3.2931 3.2989 3.2989 3.9242 3.9242 4.1193 4.1193 4.1316 4.1316 4.3135 4.3135 4.3542 4.3542 6.8412 6.8412 6.8542 6.8542 8.2188 8.2188 k = 0.2708 0.1241 1.1894 ( 16456 PWs) bands (ev): -67.3124 -67.3124 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0004 -11.0004 -9.5047 -9.5047 -9.5045 -9.5045 -6.0658 -6.0658 -6.0399 -6.0399 -5.3309 -5.3309 -5.2943 -5.2943 -5.0369 -5.0369 -5.0229 -5.0229 -0.7459 -0.7459 -0.0594 -0.0594 0.3624 0.3624 0.3779 0.3779 1.0569 1.0569 1.0826 1.0826 2.4101 2.4101 2.7084 2.7084 3.1509 3.1509 3.1541 3.1541 3.2788 3.2788 3.3139 3.3139 3.9240 3.9240 4.1188 4.1188 4.1319 4.1319 4.3091 4.3091 4.3584 4.3584 6.8359 6.8359 6.8598 6.8598 8.2185 8.2185 k = 0.2917 0.1337 1.1789 ( 16449 PWs) bands (ev): -67.3122 -67.3122 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1007 -11.1007 -11.0005 -11.0005 -9.5046 -9.5046 -9.5042 -9.5042 -6.0661 -6.0661 -6.0395 -6.0395 -5.3309 -5.3309 -5.2943 -5.2943 -5.0370 -5.0370 -5.0228 -5.0228 -0.7463 -0.7463 -0.0587 -0.0587 0.3568 0.3568 0.3835 0.3835 1.0444 1.0444 1.0939 1.0939 2.4097 2.4097 2.7093 2.7093 3.1484 3.1484 3.1552 3.1552 3.2631 3.2631 3.3314 3.3314 3.9246 3.9246 4.1185 4.1185 4.1313 4.1313 4.2988 4.2988 4.3686 4.3686 6.8276 6.8276 6.8685 6.8685 8.2175 8.2175 k = 0.3125 0.1432 1.1684 ( 16453 PWs) bands (ev): -67.3123 -67.3123 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1008 -11.1008 -11.0009 -11.0009 -9.5043 -9.5043 -9.5037 -9.5037 -6.0666 -6.0666 -6.0390 -6.0390 -5.3309 -5.3309 -5.2942 -5.2942 -5.0373 -5.0373 -5.0225 -5.0225 -0.7469 -0.7469 -0.0575 -0.0575 0.3513 0.3513 0.3890 0.3890 1.0319 1.0319 1.1045 1.1045 2.4091 2.4091 2.7107 2.7107 3.1450 3.1450 3.1561 3.1561 3.2484 3.2484 3.3488 3.3488 3.9246 3.9246 4.1169 4.1169 4.1311 4.1311 4.2862 4.2862 4.3795 4.3795 6.8199 6.8199 6.8772 6.8772 8.2158 8.2158 k = 0.3333 0.1528 1.1579 ( 16465 PWs) bands (ev): -67.3126 -67.3126 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1009 -11.1009 -11.0013 -11.0013 -9.5039 -9.5039 -9.5030 -9.5030 -6.0672 -6.0672 -6.0383 -6.0383 -5.3308 -5.3308 -5.2940 -5.2940 -5.0378 -5.0378 -5.0222 -5.0222 -0.7477 -0.7477 -0.0557 -0.0557 0.3461 0.3461 0.3939 0.3939 1.0195 1.0195 1.1141 1.1141 2.4085 2.4085 2.7125 2.7125 3.1408 3.1408 3.1568 3.1568 3.2352 3.2352 3.3656 3.3656 3.9242 3.9242 4.1154 4.1154 4.1302 4.1302 4.2726 4.2726 4.3896 4.3896 6.8132 6.8132 6.8850 6.8850 8.2136 8.2136 k = 0.3542 0.1623 1.1474 ( 16465 PWs) bands (ev): -67.3126 -67.3126 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1010 -11.1010 -11.0020 -11.0020 -9.5033 -9.5033 -9.5022 -9.5022 -6.0680 -6.0680 -6.0374 -6.0374 -5.3308 -5.3308 -5.2938 -5.2938 -5.0384 -5.0384 -5.0217 -5.0217 -0.7486 -0.7486 -0.0535 -0.0535 0.3414 0.3414 0.3981 0.3981 1.0077 1.0077 1.1226 1.1226 2.4081 2.4081 2.7146 2.7146 3.1359 3.1359 3.1574 3.1574 3.2238 3.2238 3.3815 3.3815 3.9249 3.9249 4.1136 4.1136 4.1295 4.1295 4.2593 4.2593 4.3999 4.3999 6.8078 6.8078 6.8918 6.8918 8.2111 8.2111 k = 0.3750 0.1719 1.1369 ( 16470 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2825 -21.2825 -11.1011 -11.1011 -11.0028 -11.0028 -9.5026 -9.5026 -9.5012 -9.5012 -6.0688 -6.0688 -6.0364 -6.0364 -5.3307 -5.3307 -5.2935 -5.2935 -5.0392 -5.0392 -5.0211 -5.0211 -0.7497 -0.7497 -0.0508 -0.0508 0.3372 0.3372 0.4014 0.4014 0.9966 0.9966 1.1297 1.1297 2.4079 2.4079 2.7168 2.7168 3.1306 3.1306 3.1578 3.1578 3.2141 3.2141 3.3961 3.3961 3.9249 3.9249 4.1115 4.1115 4.1287 4.1287 4.2469 4.2469 4.4086 4.4086 6.8039 6.8039 6.8972 6.8972 8.2082 8.2082 k = 0.3958 0.1814 1.1264 ( 16472 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2825 -21.2825 -11.1012 -11.1012 -11.0039 -11.0039 -9.5017 -9.5017 -9.5000 -9.5000 -6.0697 -6.0697 -6.0353 -6.0353 -5.3306 -5.3306 -5.2932 -5.2932 -5.0402 -5.0402 -5.0203 -5.0203 -0.7509 -0.7509 -0.0479 -0.0479 0.3336 0.3336 0.4034 0.4034 0.9866 0.9866 1.1354 1.1354 2.4082 2.4082 2.7190 2.7190 3.1249 3.1249 3.1580 3.1580 3.2060 3.2060 3.4091 3.4091 3.9245 3.9245 4.1090 4.1090 4.1286 4.1286 4.2364 4.2364 4.4158 4.4158 6.8017 6.8017 6.9012 6.9012 8.2051 8.2051 k = 0.4167 0.1910 1.1159 ( 16475 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2825 -21.2825 -11.1012 -11.1012 -11.0052 -11.0052 -9.5007 -9.5007 -9.4986 -9.4986 -6.0706 -6.0706 -6.0342 -6.0342 -5.3305 -5.3305 -5.2929 -5.2929 -5.0413 -5.0413 -5.0195 -5.0195 -0.7520 -0.7520 -0.0447 -0.0447 0.3306 0.3306 0.4042 0.4042 0.9777 0.9777 1.1394 1.1394 2.4090 2.4090 2.7212 2.7212 3.1194 3.1194 3.1579 3.1579 3.1996 3.1996 3.4201 3.4201 3.9245 3.9245 4.1061 4.1061 4.1278 4.1278 4.2275 4.2275 4.4219 4.4219 6.8012 6.8012 6.9036 6.9036 8.2020 8.2020 k = 0.4375 0.2005 1.1054 ( 16471 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2826 -21.2826 -11.1012 -11.1012 -11.0066 -11.0066 -9.4996 -9.4996 -9.4971 -9.4971 -6.0715 -6.0715 -6.0330 -6.0330 -5.3304 -5.3304 -5.2925 -5.2925 -5.0426 -5.0426 -5.0186 -5.0186 -0.7530 -0.7530 -0.0414 -0.0414 0.3284 0.3284 0.4037 0.4037 0.9702 0.9702 1.1418 1.1418 2.4106 2.4106 2.7232 2.7232 3.1141 3.1141 3.1575 3.1575 3.1948 3.1948 3.4288 3.4288 3.9250 3.9250 4.1032 4.1032 4.1274 4.1274 4.2204 4.2204 4.4264 4.4264 6.8026 6.8026 6.9045 6.9045 8.1994 8.1994 k = 0.4583 0.2101 1.0949 ( 16469 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2826 -21.2826 -11.1011 -11.1011 -11.0083 -11.0083 -9.4984 -9.4984 -9.4954 -9.4954 -6.0725 -6.0725 -6.0318 -6.0318 -5.3303 -5.3303 -5.2921 -5.2921 -5.0439 -5.0439 -5.0176 -5.0176 -0.7539 -0.7539 -0.0382 -0.0382 0.3268 0.3268 0.4017 0.4017 0.9642 0.9642 1.1424 1.1424 2.4128 2.4128 2.7249 2.7249 3.1094 3.1094 3.1566 3.1566 3.1916 3.1916 3.4347 3.4347 3.9258 3.9258 4.0998 4.0998 4.1267 4.1267 4.2149 4.2149 4.4298 4.4298 6.8057 6.8057 6.9036 6.9036 8.1971 8.1971 k = 0.4792 0.2196 1.0843 ( 16469 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2827 -21.2827 -11.1011 -11.1011 -11.0101 -11.0101 -9.4970 -9.4970 -9.4936 -9.4936 -6.0734 -6.0734 -6.0306 -6.0306 -5.3302 -5.3302 -5.2916 -5.2916 -5.0454 -5.0454 -5.0167 -5.0167 -0.7544 -0.7544 -0.0352 -0.0352 0.3260 0.3260 0.3983 0.3983 0.9597 0.9597 1.1412 1.1412 2.4159 2.4159 2.7263 2.7263 3.1052 3.1052 3.1553 3.1553 3.1899 3.1899 3.4379 3.4379 3.9265 3.9265 4.0963 4.0963 4.1258 4.1258 4.2113 4.2113 4.4315 4.4315 6.8107 6.8107 6.9013 6.9013 8.1954 8.1954 k = 0.5000 0.2292 1.0738 ( 16458 PWs) bands (ev): -67.3124 -67.3124 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2827 -21.2827 -11.1012 -11.1012 -11.0119 -11.0119 -9.4954 -9.4954 -9.4916 -9.4916 -6.0743 -6.0743 -6.0293 -6.0293 -5.3300 -5.3300 -5.2911 -5.2911 -5.0469 -5.0469 -5.0157 -5.0157 -0.7547 -0.7547 -0.0325 -0.0325 0.3258 0.3258 0.3936 0.3936 0.9568 0.9568 1.1382 1.1382 2.4197 2.4197 2.7274 2.7274 3.1016 3.1016 3.1535 3.1535 3.1900 3.1900 3.4380 3.4380 3.9271 3.9271 4.0932 4.0932 4.1254 4.1254 4.2112 4.2112 4.4319 4.4319 6.8175 6.8175 6.8975 6.8975 8.1945 8.1945 k = 0.5000 0.2292 1.0738 ( 16458 PWs) bands (ev): -67.3124 -67.3124 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2827 -21.2827 -11.1012 -11.1012 -11.0119 -11.0119 -9.4954 -9.4954 -9.4916 -9.4916 -6.0743 -6.0743 -6.0293 -6.0293 -5.3300 -5.3300 -5.2911 -5.2911 -5.0469 -5.0469 -5.0157 -5.0157 -0.7547 -0.7547 -0.0325 -0.0325 0.3258 0.3258 0.3936 0.3936 0.9568 0.9568 1.1382 1.1382 2.4197 2.4197 2.7274 2.7274 3.1016 3.1016 3.1535 3.1535 3.1900 3.1900 3.4380 3.4380 3.9271 3.9271 4.0932 4.0932 4.1254 4.1254 4.2112 4.2112 4.4319 4.4319 6.8175 6.8175 6.8975 6.8975 8.1945 8.1945 k = 0.5000 0.2292 1.0470 ( 16474 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2829 -21.2829 -11.1014 -11.1014 -11.0172 -11.0172 -9.4909 -9.4909 -9.4858 -9.4858 -6.0765 -6.0765 -6.0260 -6.0260 -5.3294 -5.3294 -5.2897 -5.2897 -5.0510 -5.0510 -5.0133 -5.0133 -0.7549 -0.7549 -0.0256 -0.0256 0.3263 0.3263 0.3789 0.3789 0.9509 0.9509 1.1270 1.1270 2.4312 2.4312 2.7302 2.7302 3.0920 3.0920 3.1471 3.1471 3.1926 3.1926 3.4342 3.4342 3.9275 3.9275 4.0823 4.0823 4.1219 4.1219 4.2118 4.2118 4.4290 4.4290 6.8387 6.8387 6.8855 6.8855 8.1925 8.1925 k = 0.5000 0.2292 1.0202 ( 16474 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2831 -21.2831 -11.1017 -11.1017 -11.0234 -11.0234 -9.4856 -9.4856 -9.4791 -9.4791 -6.0788 -6.0788 -6.0225 -6.0225 -5.3288 -5.3288 -5.2880 -5.2880 -5.0552 -5.0552 -5.0112 -5.0112 -0.7551 -0.7551 -0.0174 -0.0174 0.3269 0.3269 0.3625 0.3625 0.9441 0.9441 1.1137 1.1137 2.4441 2.4441 2.7337 2.7337 3.0814 3.0814 3.1387 3.1387 3.1964 3.1964 3.4298 3.4298 3.9288 3.9288 4.0696 4.0696 4.1187 4.1187 4.2137 4.2137 4.4268 4.4268 6.8610 6.8610 6.8754 6.8754 8.1895 8.1895 k = 0.5000 0.2292 0.9933 ( 16480 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2857 -21.2857 -21.2833 -21.2833 -11.1020 -11.1020 -11.0304 -11.0304 -9.4794 -9.4794 -9.4715 -9.4715 -6.0810 -6.0810 -6.0190 -6.0190 -5.3280 -5.3280 -5.2861 -5.2861 -5.0597 -5.0597 -5.0092 -5.0092 -0.7552 -0.7552 -0.0082 -0.0082 0.3266 0.3266 0.3454 0.3454 0.9365 0.9365 1.0983 1.0983 2.4580 2.4580 2.7379 2.7379 3.0697 3.0697 3.1287 3.1287 3.2008 3.2008 3.4246 3.4246 3.9303 3.9303 4.0551 4.0551 4.1146 4.1146 4.2147 4.2147 4.4242 4.4242 6.8572 6.8572 6.8950 6.8950 8.1856 8.1856 k = 0.5000 0.2292 0.9665 ( 16484 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2857 -21.2857 -21.2835 -21.2835 -11.1023 -11.1023 -11.0382 -11.0382 -9.4724 -9.4724 -9.4632 -9.4632 -6.0832 -6.0832 -6.0154 -6.0154 -5.3271 -5.3271 -5.2840 -5.2840 -5.0643 -5.0643 -5.0075 -5.0075 -0.7551 -0.7551 0.0020 0.0020 0.3190 0.3190 0.3344 0.3344 0.9284 0.9284 1.0809 1.0809 2.4725 2.4725 2.7428 2.7428 3.0569 3.0569 3.1174 3.1174 3.2055 3.2055 3.4187 3.4187 3.9331 3.9331 4.0386 4.0386 4.1105 4.1105 4.2161 4.2161 4.4207 4.4207 6.8448 6.8448 6.9268 6.9268 8.1811 8.1811 k = 0.5000 0.2292 0.9396 ( 16476 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2857 -21.2857 -21.2837 -21.2837 -11.1027 -11.1027 -11.0466 -11.0466 -9.4647 -9.4647 -9.4541 -9.4541 -6.0852 -6.0852 -6.0118 -6.0118 -5.3262 -5.3262 -5.2817 -5.2817 -5.0691 -5.0691 -5.0060 -5.0060 -0.7550 -0.7550 0.0131 0.0131 0.3007 0.3007 0.3337 0.3337 0.9199 0.9199 1.0615 1.0615 2.4872 2.4872 2.7486 2.7486 3.0432 3.0432 3.1052 3.1052 3.2107 3.2107 3.4122 3.4122 3.9361 3.9361 4.0212 4.0212 4.1051 4.1051 4.2197 4.2197 4.4175 4.4175 6.8329 6.8329 6.9622 6.9622 8.1759 8.1759 k = 0.5000 0.2292 0.9128 ( 16486 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2857 -21.2857 -21.2840 -21.2840 -11.1030 -11.1030 -11.0556 -11.0556 -9.4563 -9.4563 -9.4445 -9.4445 -6.0871 -6.0871 -6.0083 -6.0083 -5.3251 -5.3251 -5.2792 -5.2792 -5.0741 -5.0741 -5.0049 -5.0049 -0.7547 -0.7547 0.0250 0.0250 0.2801 0.2801 0.3351 0.3351 0.9109 0.9109 1.0402 1.0402 2.5016 2.5016 2.7554 2.7554 3.0286 3.0286 3.0923 3.0923 3.2162 3.2162 3.4050 3.4050 3.9369 3.9369 4.0019 4.0019 4.0997 4.0997 4.2218 4.2218 4.4148 4.4148 6.8219 6.8219 7.0008 7.0008 8.1697 8.1697 k = 0.5000 0.2292 0.8859 ( 16472 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2857 -21.2857 -21.2843 -21.2843 -11.1034 -11.1034 -11.0651 -11.0651 -9.4471 -9.4471 -9.4344 -9.4344 -6.0888 -6.0888 -6.0049 -6.0049 -5.3239 -5.3239 -5.2765 -5.2765 -5.0793 -5.0793 -5.0040 -5.0040 -0.7541 -0.7541 0.0374 0.0374 0.2590 0.2590 0.3371 0.3371 0.9019 0.9019 1.0171 1.0171 2.5156 2.5156 2.7631 2.7631 3.0130 3.0130 3.0789 3.0789 3.2217 3.2217 3.3971 3.3971 3.9381 3.9381 3.9828 3.9828 4.0955 4.0955 4.2262 4.2262 4.4117 4.4117 6.8124 6.8124 7.0423 7.0423 8.1637 8.1637 k = 0.5000 0.2292 0.8591 ( 16462 PWs) bands (ev): -67.3126 -67.3126 -39.4052 -39.4052 -38.4849 -38.4849 -38.2892 -38.2892 -21.2857 -21.2857 -21.2846 -21.2846 -11.1037 -11.1037 -11.0751 -11.0751 -9.4372 -9.4372 -9.4239 -9.4239 -6.0904 -6.0904 -6.0016 -6.0016 -5.3226 -5.3226 -5.2737 -5.2737 -5.0848 -5.0848 -5.0034 -5.0034 -0.7532 -0.7532 0.0504 0.0504 0.2380 0.2380 0.3396 0.3396 0.8927 0.8927 0.9923 0.9923 2.5287 2.5287 2.7719 2.7719 2.9963 2.9963 3.0654 3.0654 3.2273 3.2273 3.3885 3.3885 3.9359 3.9359 3.9668 3.9668 4.0910 4.0910 4.2296 4.2296 4.4082 4.4082 6.8045 6.8045 7.0864 7.0864 8.1581 8.1581 k = 0.5000 0.2292 0.8322 ( 16452 PWs) bands (ev): -67.3124 -67.3124 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2857 -21.2857 -21.2850 -21.2850 -11.1040 -11.1040 -11.0853 -11.0853 -9.4268 -9.4268 -9.4130 -9.4130 -6.0918 -6.0918 -5.9986 -5.9986 -5.3212 -5.3212 -5.2708 -5.2708 -5.0905 -5.0905 -5.0031 -5.0031 -0.7520 -0.7520 0.0636 0.0636 0.2176 0.2176 0.3426 0.3426 0.8835 0.8835 0.9660 0.9660 2.5407 2.5407 2.7817 2.7817 2.9784 2.9784 3.0520 3.0520 3.2330 3.2330 3.3792 3.3792 3.9241 3.9241 3.9595 3.9595 4.0865 4.0865 4.2324 4.2324 4.4054 4.4054 6.7985 6.7985 7.1331 7.1331 8.1527 8.1527 k = 0.5000 0.2292 0.8054 ( 16458 PWs) bands (ev): -67.3125 -67.3125 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2857 -21.2857 -21.2853 -21.2853 -11.1043 -11.1043 -11.0959 -11.0959 -9.4157 -9.4157 -9.4019 -9.4019 -6.0930 -6.0930 -5.9958 -5.9958 -5.3198 -5.3198 -5.2677 -5.2677 -5.0964 -5.0964 -5.0031 -5.0031 -0.7504 -0.7504 0.0770 0.0770 0.1981 0.1981 0.3460 0.3460 0.8744 0.8744 0.9383 0.9383 2.5511 2.5511 2.7928 2.7928 2.9593 2.9593 3.0390 3.0390 3.2383 3.2383 3.3692 3.3692 3.9042 3.9042 3.9587 3.9587 4.0810 4.0810 4.2350 4.2350 4.4017 4.4017 6.7942 6.7942 7.1820 7.1820 8.1478 8.1478 k = 0.5000 0.2292 0.7785 ( 16458 PWs) bands (ev): -67.3125 -67.3125 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2857 -21.2857 -21.2857 -21.2857 -11.1066 -11.1066 -11.1046 -11.1046 -9.4041 -9.4041 -9.3907 -9.3907 -6.0941 -6.0941 -5.9933 -5.9933 -5.3182 -5.3182 -5.2646 -5.2646 -5.1025 -5.1025 -5.0036 -5.0036 -0.7484 -0.7484 0.0903 0.0903 0.1800 0.1800 0.3499 0.3499 0.8652 0.8652 0.9097 0.9097 2.5598 2.5598 2.8051 2.8051 2.9389 2.9389 3.0267 3.0267 3.2435 3.2435 3.3586 3.3586 3.8816 3.8816 3.9597 3.9597 4.0750 4.0750 4.2395 4.2395 4.3987 4.3987 6.7917 6.7917 7.2331 7.2331 8.1436 8.1436 k = 0.5000 0.2292 0.7517 ( 16478 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2861 -21.2861 -21.2857 -21.2857 -11.1175 -11.1175 -11.1048 -11.1048 -9.3920 -9.3920 -9.3794 -9.3794 -6.0950 -6.0950 -5.9910 -5.9910 -5.3165 -5.3165 -5.2614 -5.2614 -5.1089 -5.1089 -5.0043 -5.0043 -0.7460 -0.7460 0.1027 0.1027 0.1642 0.1642 0.3542 0.3542 0.8547 0.8547 0.8815 0.8815 2.5665 2.5665 2.8185 2.8185 2.9172 2.9172 3.0153 3.0153 3.2482 3.2482 3.3476 3.3476 3.8577 3.8577 3.9601 3.9601 4.0682 4.0682 4.2425 4.2425 4.3959 4.3959 6.7907 6.7907 7.2861 7.2861 8.1405 8.1405 k = 0.5000 0.2292 0.7248 ( 16482 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2865 -21.2865 -21.2857 -21.2857 -11.1284 -11.1284 -11.1049 -11.1049 -9.3796 -9.3796 -9.3680 -9.3680 -6.0957 -6.0957 -5.9892 -5.9892 -5.3148 -5.3148 -5.2581 -5.2581 -5.1155 -5.1155 -5.0055 -5.0055 -0.7430 -0.7430 0.1121 0.1121 0.1528 0.1528 0.3591 0.3591 0.8370 0.8370 0.8599 0.8599 2.5711 2.5711 2.8330 2.8330 2.8943 2.8943 3.0050 3.0050 3.2520 3.2520 3.3365 3.3365 3.8337 3.8337 3.9623 3.9623 4.0622 4.0622 4.2463 4.2463 4.3934 4.3934 6.7915 6.7915 7.3411 7.3411 8.1395 8.1395 k = 0.5000 0.2292 0.6980 ( 16490 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2869 -21.2869 -21.2857 -21.2857 -11.1393 -11.1393 -11.1051 -11.1051 -9.3668 -9.3668 -9.3566 -9.3566 -6.0963 -6.0963 -5.9877 -5.9877 -5.3130 -5.3130 -5.2547 -5.2547 -5.1224 -5.1224 -5.0070 -5.0070 -0.7395 -0.7395 0.1134 0.1134 0.1512 0.1512 0.3646 0.3646 0.8086 0.8086 0.8486 0.8486 2.5735 2.5735 2.8471 2.8471 2.8719 2.8719 2.9958 2.9958 3.2541 3.2541 3.3261 3.3261 3.8096 3.8096 3.9644 3.9644 4.0562 4.0562 4.2500 4.2500 4.3912 4.3912 6.7937 6.7937 7.3977 7.3977 8.1403 8.1403 k = 0.5000 0.2292 0.6712 ( 16482 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2873 -21.2873 -21.2857 -21.2857 -11.1501 -11.1501 -11.1051 -11.1051 -9.3540 -9.3540 -9.3452 -9.3452 -6.0967 -6.0967 -5.9866 -5.9866 -5.3110 -5.3110 -5.2513 -5.2513 -5.1295 -5.1295 -5.0089 -5.0089 -0.7353 -0.7353 0.1065 0.1065 0.1595 0.1595 0.3706 0.3706 0.7765 0.7765 0.8408 0.8408 2.5735 2.5735 2.8398 2.8398 2.8708 2.8708 2.9879 2.9879 3.2534 3.2534 3.3174 3.3174 3.7861 3.7861 3.9674 3.9674 4.0515 4.0515 4.2546 4.2546 4.3893 4.3893 6.7973 6.7973 7.4559 7.4559 8.1437 8.1437 k = 0.5000 0.2292 0.6443 ( 16478 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2878 -21.2878 -21.2857 -21.2857 -11.1608 -11.1608 -11.1051 -11.1051 -9.3413 -9.3413 -9.3335 -9.3335 -6.0969 -6.0969 -5.9860 -5.9860 -5.3090 -5.3090 -5.2478 -5.2478 -5.1368 -5.1368 -5.0111 -5.0111 -0.7305 -0.7305 0.0976 0.0976 0.1717 0.1717 0.3771 0.3771 0.7432 0.7432 0.8342 0.8342 2.5710 2.5710 2.8143 2.8143 2.8881 2.8881 2.9812 2.9812 3.2485 3.2485 3.3121 3.3121 3.7632 3.7632 3.9696 3.9696 4.0466 4.0466 4.2591 4.2591 4.3881 4.3881 6.8020 6.8020 7.5156 7.5156 8.1497 8.1497 k = 0.5000 0.2292 0.6175 ( 16484 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2882 -21.2882 -21.2857 -21.2857 -11.1713 -11.1713 -11.1051 -11.1051 -9.3293 -9.3293 -9.3211 -9.3211 -6.0970 -6.0970 -5.9858 -5.9858 -5.3069 -5.3069 -5.2443 -5.2443 -5.1443 -5.1443 -5.0137 -5.0137 -0.7251 -0.7251 0.0892 0.0892 0.1852 0.1852 0.3842 0.3842 0.7093 0.7093 0.8282 0.8282 2.5659 2.5659 2.7865 2.7865 2.9079 2.9079 2.9757 2.9757 3.2392 3.2392 3.3104 3.3104 3.7411 3.7411 3.9701 3.9701 4.0416 4.0416 4.2636 4.2636 4.3870 4.3870 6.8075 6.8075 7.5767 7.5767 8.1584 8.1584 k = 0.5000 0.2292 0.5906 ( 16488 PWs) bands (ev): -67.3133 -67.3133 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2886 -21.2886 -21.2857 -21.2857 -11.1816 -11.1816 -11.1050 -11.1050 -9.3182 -9.3182 -9.3080 -9.3080 -6.0969 -6.0969 -5.9860 -5.9860 -5.3047 -5.3047 -5.2408 -5.2408 -5.1521 -5.1521 -5.0167 -5.0167 -0.7191 -0.7191 0.0823 0.0823 0.1993 0.1993 0.3918 0.3918 0.6753 0.6753 0.8225 0.8225 2.5583 2.5583 2.7575 2.7575 2.9287 2.9287 2.9717 2.9717 3.2263 3.2263 3.3114 3.3114 3.7198 3.7198 3.9707 3.9707 4.0380 4.0380 4.2678 4.2678 4.3857 4.3857 6.8137 6.8137 7.6390 7.6390 8.1704 8.1704 k = 0.5000 0.2292 0.5638 ( 16482 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2891 -21.2891 -21.2857 -21.2857 -11.1917 -11.1917 -11.1048 -11.1048 -9.3079 -9.3079 -9.2944 -9.2944 -6.0967 -6.0967 -5.9868 -5.9868 -5.3025 -5.3025 -5.2372 -5.2372 -5.1600 -5.1600 -5.0200 -5.0200 -0.7125 -0.7125 0.0771 0.0771 0.2137 0.2137 0.4000 0.4000 0.6412 0.6412 0.8173 0.8173 2.5481 2.5481 2.7277 2.7277 2.9498 2.9498 2.9698 2.9698 3.2113 3.2113 3.3144 3.3144 3.6987 3.6987 3.9711 3.9711 4.0353 4.0353 4.2732 4.2732 4.3859 4.3859 6.8200 6.8200 7.7025 7.7025 8.1858 8.1858 k = 0.5000 0.2292 0.5369 ( 16490 PWs) bands (ev): -67.3134 -67.3134 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2895 -21.2895 -21.2857 -21.2857 -11.2014 -11.2014 -11.1045 -11.1045 -9.2982 -9.2982 -9.2804 -9.2804 -6.0964 -6.0964 -5.9880 -5.9880 -5.3001 -5.3001 -5.2336 -5.2336 -5.1680 -5.1680 -5.0237 -5.0237 -0.7053 -0.7053 0.0737 0.0737 0.2283 0.2283 0.4087 0.4087 0.6074 0.6074 0.8121 0.8121 2.5354 2.5354 2.6972 2.6972 2.9617 2.9617 2.9789 2.9789 3.1951 3.1951 3.3181 3.3181 3.6790 3.6790 3.9696 3.9696 4.0330 4.0330 4.2778 4.2778 4.3851 4.3851 6.8268 6.8268 7.7671 7.7671 8.2048 8.2048 k = 0.5000 0.2292 0.5101 ( 16480 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2899 -21.2899 -21.2857 -21.2857 -11.2108 -11.2108 -11.1043 -11.1043 -9.2891 -9.2891 -9.2664 -9.2664 -6.0960 -6.0960 -5.9896 -5.9896 -5.2977 -5.2977 -5.2301 -5.2301 -5.1761 -5.1761 -5.0277 -5.0277 -0.6976 -0.6976 0.0722 0.0722 0.2432 0.2432 0.4179 0.4179 0.5740 0.5740 0.8069 0.8069 2.5203 2.5203 2.6662 2.6662 2.9623 2.9623 3.0012 3.0012 3.1787 3.1787 3.3224 3.3224 3.6603 3.6603 3.9679 3.9679 4.0326 4.0326 4.2835 4.2835 4.3854 4.3854 6.8337 6.8337 7.8327 7.8327 8.2277 8.2277 k = 0.5000 0.2292 0.4832 ( 16476 PWs) bands (ev): -67.3131 -67.3131 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2903 -21.2903 -21.2857 -21.2857 -11.2199 -11.2199 -11.1039 -11.1039 -9.2805 -9.2805 -9.2524 -9.2524 -6.0954 -6.0954 -5.9917 -5.9917 -5.2951 -5.2951 -5.2265 -5.2265 -5.1842 -5.1842 -5.0319 -5.0319 -0.6895 -0.6895 0.0725 0.0725 0.2583 0.2583 0.4275 0.4275 0.5413 0.5413 0.8016 0.8016 2.5029 2.5029 2.6349 2.6349 2.9623 2.9623 3.0254 3.0254 3.1624 3.1624 3.3269 3.3269 3.6427 3.6427 3.9652 3.9652 4.0326 4.0326 4.2886 4.2886 4.3860 4.3860 6.8405 6.8405 7.8993 7.8993 8.2544 8.2544 k = 0.5000 0.2292 0.4564 ( 16482 PWs) bands (ev): -67.3132 -67.3132 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2908 -21.2908 -21.2857 -21.2857 -11.2285 -11.2285 -11.1035 -11.1035 -9.2725 -9.2725 -9.2386 -9.2386 -6.0948 -6.0948 -5.9942 -5.9942 -5.2926 -5.2926 -5.2231 -5.2231 -5.1921 -5.1921 -5.0364 -5.0364 -0.6811 -0.6811 0.0746 0.0746 0.2738 0.2738 0.4375 0.4375 0.5095 0.5095 0.7961 0.7961 2.4835 2.4835 2.6034 2.6034 2.9629 2.9629 3.0500 3.0500 3.1468 3.1468 3.3315 3.3315 3.6255 3.6255 3.9611 3.9611 4.0326 4.0326 4.2940 4.2940 4.3865 4.3865 6.8467 6.8467 7.9666 7.9666 8.2850 8.2850 k = 0.5000 0.2292 0.4295 ( 16494 PWs) bands (ev): -67.3135 -67.3135 -39.4053 -39.4053 -38.4850 -38.4850 -38.2893 -38.2893 -21.2912 -21.2912 -21.2857 -21.2857 -11.2368 -11.2368 -11.1031 -11.1031 -9.2648 -9.2648 -9.2250 -9.2250 -6.0940 -6.0940 -5.9971 -5.9971 -5.2900 -5.2900 -5.2201 -5.2201 -5.1996 -5.1996 -5.0412 -5.0412 -0.6725 -0.6725 0.0783 0.0783 0.2895 0.2895 0.4476 0.4476 0.4788 0.4788 0.7902 0.7902 2.4622 2.4622 2.5719 2.5719 2.9640 2.9640 3.0734 3.0734 3.1332 3.1332 3.3360 3.3360 3.6089 3.6089 3.9558 3.9558 4.0328 4.0328 4.2997 4.2997 4.3871 4.3871 6.8523 6.8523 8.0346 8.0346 8.3195 8.3195 k = 0.5000 0.2292 0.4027 ( 16498 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2915 -21.2915 -21.2857 -21.2857 -11.2446 -11.2446 -11.1026 -11.1026 -9.2577 -9.2577 -9.2117 -9.2117 -6.0932 -6.0932 -6.0004 -6.0004 -5.2874 -5.2874 -5.2185 -5.2185 -5.2055 -5.2055 -5.0461 -5.0461 -0.6636 -0.6636 0.0836 0.0836 0.3055 0.3055 0.4481 0.4481 0.4593 0.4593 0.7839 0.7839 2.4395 2.4395 2.5406 2.5406 2.9658 2.9658 3.0904 3.0904 3.1268 3.1268 3.3405 3.3405 3.5931 3.5931 3.9510 3.9510 4.0346 4.0346 4.3051 4.3051 4.3881 4.3881 6.8576 6.8576 8.1033 8.1033 8.3580 8.3580 k = 0.5000 0.2292 0.3758 ( 16502 PWs) bands (ev): -67.3137 -67.3137 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2919 -21.2919 -21.2857 -21.2857 -11.2520 -11.2520 -11.1021 -11.1021 -9.2511 -9.2511 -9.1988 -9.1988 -6.0922 -6.0922 -6.0039 -6.0039 -5.2849 -5.2849 -5.2212 -5.2212 -5.2069 -5.2069 -5.0513 -5.0513 -0.6547 -0.6547 0.0903 0.0903 0.3217 0.3217 0.4207 0.4207 0.4695 0.4695 0.7769 0.7769 2.4155 2.4155 2.5097 2.5097 2.9680 2.9680 3.0899 3.0899 3.1386 3.1386 3.3450 3.3450 3.5782 3.5782 3.9455 3.9455 4.0361 4.0361 4.3109 4.3109 4.3896 4.3896 6.8623 6.8623 8.1726 8.1726 8.4001 8.4001 k = 0.5000 0.2292 0.3490 ( 16496 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2923 -21.2923 -21.2857 -21.2857 -11.2589 -11.2589 -11.1016 -11.1016 -9.2450 -9.2450 -9.1863 -9.1863 -6.0912 -6.0912 -6.0078 -6.0078 -5.2824 -5.2824 -5.2274 -5.2274 -5.2046 -5.2046 -5.0566 -5.0566 -0.6458 -0.6458 0.0982 0.0982 0.3377 0.3377 0.3947 0.3947 0.4803 0.4803 0.7694 0.7694 2.3908 2.3908 2.4795 2.4795 2.9706 2.9706 3.0800 3.0800 3.1603 3.1603 3.3495 3.3495 3.5637 3.5637 3.9415 3.9415 4.0384 4.0384 4.3169 4.3169 4.3916 4.3916 6.8663 6.8663 8.2425 8.2425 8.4458 8.4458 k = 0.5000 0.2292 0.3222 ( 16512 PWs) bands (ev): -67.3140 -67.3140 -39.4053 -39.4053 -38.4851 -38.4851 -38.2894 -38.2894 -21.2926 -21.2926 -21.2857 -21.2857 -11.2653 -11.2653 -11.1011 -11.1011 -9.2394 -9.2394 -9.1745 -9.1745 -6.0901 -6.0901 -6.0118 -6.0118 -5.2801 -5.2801 -5.2342 -5.2342 -5.2013 -5.2013 -5.0619 -5.0619 -0.6372 -0.6372 0.1070 0.1070 0.3501 0.3501 0.3743 0.3743 0.4911 0.4911 0.7611 0.7611 2.3656 2.3656 2.4501 2.4501 2.9736 2.9736 3.0690 3.0690 3.1830 3.1830 3.3540 3.3540 3.5505 3.5505 3.9354 3.9354 4.0389 4.0389 4.3218 4.3218 4.3936 4.3936 6.8699 6.8699 8.3126 8.3126 8.4947 8.4947 k = 0.5000 0.2292 0.2953 ( 16496 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2929 -21.2929 -21.2857 -21.2857 -11.2713 -11.2713 -11.1006 -11.1006 -9.2342 -9.2342 -9.1632 -9.1632 -6.0889 -6.0889 -6.0160 -6.0160 -5.2780 -5.2780 -5.2408 -5.2408 -5.1977 -5.1977 -5.0674 -5.0674 -0.6287 -0.6287 0.1166 0.1166 0.3401 0.3401 0.3785 0.3785 0.5019 0.5019 0.7521 0.7521 2.3404 2.3404 2.4217 2.4217 2.9768 2.9768 3.0584 3.0584 3.2056 3.2056 3.3586 3.3586 3.5382 3.5382 3.9312 3.9312 4.0421 4.0421 4.3281 4.3281 4.3960 4.3960 6.8734 6.8734 8.3831 8.3831 8.5466 8.5466 k = 0.5000 0.2292 0.2685 ( 16496 PWs) bands (ev): -67.3136 -67.3136 -39.4053 -39.4053 -38.4851 -38.4851 -38.2893 -38.2893 -21.2932 -21.2932 -21.2857 -21.2857 -11.2767 -11.2767 -11.1001 -11.1001 -9.2295 -9.2295 -9.1527 -9.1527 -6.0876 -6.0876 -6.0203 -6.0203 -5.2764 -5.2764 -5.2468 -5.2468 -5.1939 -5.1939 -5.0728 -5.0728 -0.6206 -0.6206 0.1266 0.1266 0.3202 0.3202 0.3946 0.3946 0.5124 0.5124 0.7423 0.7423 2.3155 2.3155 2.3947 2.3947 2.9801 2.9801 3.0485 3.0485 3.2267 3.2267 3.3632 3.3632 3.5267 3.5267 3.9274 3.9274 4.0434 4.0434 4.3330 4.3330 4.3982 4.3982 6.8762 6.8762 8.4538 8.4538 8.6009 8.6009 k = 0.5000 0.2292 0.2416 ( 16520 PWs) bands (ev): -67.3141 -67.3141 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2935 -21.2935 -21.2857 -21.2857 -11.2817 -11.2817 -11.0996 -11.0996 -9.2253 -9.2253 -9.1429 -9.1429 -6.0862 -6.0862 -6.0246 -6.0246 -5.2754 -5.2754 -5.2519 -5.2519 -5.1900 -5.1900 -5.0782 -5.0782 -0.6132 -0.6132 0.1365 0.1365 0.3013 0.3013 0.4121 0.4121 0.5226 0.5226 0.7316 0.7316 2.2914 2.2914 2.3693 2.3693 2.9834 2.9834 3.0395 3.0395 3.2460 3.2460 3.3679 3.3679 3.5153 3.5153 3.9219 3.9219 4.0432 4.0432 4.3373 4.3373 4.4006 4.4006 6.8776 6.8776 8.5243 8.5243 8.6569 8.6569 k = 0.5000 0.2292 0.2148 ( 16532 PWs) bands (ev): -67.3144 -67.3144 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2938 -21.2938 -21.2857 -21.2857 -11.2861 -11.2861 -11.0991 -11.0991 -9.2216 -9.2216 -9.1340 -9.1340 -6.0847 -6.0847 -6.0289 -6.0289 -5.2755 -5.2755 -5.2557 -5.2557 -5.1861 -5.1861 -5.0836 -5.0836 -0.6062 -0.6062 0.1462 0.1462 0.2843 0.2843 0.4300 0.4300 0.5324 0.5324 0.7201 0.7201 2.2685 2.2685 2.3458 2.3458 2.9866 2.9866 3.0315 3.0315 3.2633 3.2633 3.3729 3.3729 3.5055 3.5055 3.9168 3.9168 4.0440 4.0440 4.3414 4.3414 4.4031 4.4031 6.8792 6.8792 8.5946 8.5946 8.7142 8.7142 k = 0.5000 0.2292 0.1879 ( 16532 PWs) bands (ev): -67.3144 -67.3144 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2940 -21.2940 -21.2857 -21.2857 -11.2900 -11.2900 -11.0986 -11.0986 -9.2183 -9.2183 -9.1259 -9.1259 -6.0831 -6.0831 -6.0332 -6.0332 -5.2769 -5.2769 -5.2577 -5.2577 -5.1822 -5.1822 -5.0888 -5.0888 -0.5999 -0.5999 0.1550 0.1550 0.2698 0.2698 0.4479 0.4479 0.5418 0.5418 0.7079 0.7079 2.2471 2.2471 2.3244 2.3244 2.9897 2.9897 3.0245 3.0245 3.2783 3.2783 3.3783 3.3783 3.4968 3.4968 3.9135 3.9135 4.0449 4.0449 4.3453 4.3453 4.4061 4.4061 6.8808 6.8808 8.6643 8.6643 8.7718 8.7718 k = 0.5000 0.2292 0.1611 ( 16544 PWs) bands (ev): -67.3147 -67.3147 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2942 -21.2942 -21.2857 -21.2857 -11.2935 -11.2935 -11.0982 -11.0982 -9.2155 -9.2155 -9.1188 -9.1188 -6.0814 -6.0814 -6.0373 -6.0373 -5.2793 -5.2793 -5.2584 -5.2584 -5.1785 -5.1785 -5.0937 -5.0937 -0.5943 -0.5943 0.1624 0.1624 0.2580 0.2580 0.4656 0.4656 0.5506 0.5506 0.6949 0.6949 2.2277 2.2277 2.3053 2.3053 2.9925 2.9925 3.0185 3.0185 3.2908 3.2908 3.3836 3.3836 3.4887 3.4887 3.9093 3.9093 4.0454 4.0454 4.3488 4.3488 4.4086 4.4086 6.8815 6.8815 8.7328 8.7328 8.8286 8.8286 k = 0.5000 0.2292 0.1342 ( 16536 PWs) bands (ev): -67.3145 -67.3145 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2943 -21.2943 -21.2857 -21.2857 -11.2963 -11.2963 -11.0979 -11.0979 -9.2131 -9.2131 -9.1128 -9.1128 -6.0796 -6.0796 -6.0412 -6.0412 -5.2822 -5.2822 -5.2582 -5.2582 -5.1748 -5.1748 -5.0984 -5.0984 -0.5894 -0.5894 0.1681 0.1681 0.2492 0.2492 0.4826 0.4826 0.5590 0.5590 0.6813 0.6813 2.2105 2.2105 2.2888 2.2888 2.9950 2.9950 3.0135 3.0135 3.3010 3.3010 3.3890 3.3890 3.4823 3.4823 3.9071 3.9071 4.0468 4.0468 4.3520 4.3520 4.4112 4.4112 6.8827 6.8827 8.7994 8.7994 8.8832 8.8832 k = 0.5000 0.2292 0.1074 ( 16526 PWs) bands (ev): -67.3142 -67.3142 -39.4054 -39.4054 -38.4852 -38.4852 -38.2894 -38.2894 -21.2945 -21.2945 -21.2857 -21.2857 -11.2987 -11.2987 -11.0976 -11.0976 -9.2112 -9.2112 -9.1077 -9.1077 -6.0778 -6.0778 -6.0448 -6.0448 -5.2849 -5.2849 -5.2577 -5.2577 -5.1715 -5.1715 -5.1027 -5.1027 -0.5852 -0.5852 0.1717 0.1717 0.2434 0.2434 0.4986 0.4986 0.5672 0.5672 0.6671 0.6671 2.1959 2.1959 2.2750 2.2750 2.9970 2.9970 3.0095 3.0095 3.3088 3.3088 3.3942 3.3942 3.4770 3.4770 3.9059 3.9059 4.0480 4.0480 4.3548 4.3548 4.4139 4.4139 6.8836 6.8836 8.8623 8.8623 8.9342 8.9342 k = 0.5000 0.2292 0.0805 ( 16540 PWs) bands (ev): -67.3146 -67.3146 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2946 -21.2946 -21.2857 -21.2857 -11.3006 -11.3006 -11.0974 -11.0974 -9.2097 -9.2097 -9.1038 -9.1038 -6.0761 -6.0761 -6.0480 -6.0480 -5.2872 -5.2872 -5.2571 -5.2571 -5.1685 -5.1685 -5.1063 -5.1063 -0.5821 -0.5821 0.1734 0.1734 0.2402 0.2402 0.5126 0.5126 0.5756 0.5756 0.6526 0.6526 2.1843 2.1843 2.2641 2.2641 2.9985 2.9985 3.0065 3.0065 3.3144 3.3144 3.3985 3.3985 3.4724 3.4724 3.9035 3.9035 4.0473 4.0473 4.3564 4.3564 4.4155 4.4155 6.8837 6.8837 8.9188 8.9188 8.9798 8.9798 k = 0.5000 0.2292 0.0537 ( 16538 PWs) bands (ev): -67.3145 -67.3145 -39.4054 -39.4054 -38.4852 -38.4852 -38.2895 -38.2895 -21.2947 -21.2947 -21.2857 -21.2857 -11.3019 -11.3019 -11.0972 -11.0972 -9.2086 -9.2086 -9.1009 -9.1009 -6.0745 -6.0745 -6.0506 -6.0506 -5.2889 -5.2889 -5.2567 -5.2567 -5.1662 -5.1662 -5.1092 -5.1092 -0.5798 -0.5798 0.1738 0.1738 0.2389 0.2389 0.5238 0.5238 0.5849 0.5849 0.6379 0.6379 2.1758 2.1758 2.2562 2.2562 2.9993 2.9993 3.0048 3.0048 3.3183 3.3183 3.4020 3.4020 3.4693 3.4693 3.9019 3.9019 4.0484 4.0484 4.3577 4.3577 4.4170 4.4170 6.8841 6.8841 8.9644 8.9644 9.0181 9.0181 k = 0.5000 0.2292 0.0268 ( 16538 PWs) bands (ev): -67.3145 -67.3145 -39.4054 -39.4054 -38.4853 -38.4853 -38.2894 -38.2894 -21.2947 -21.2947 -21.2857 -21.2857 -11.3027 -11.3027 -11.0971 -11.0971 -9.2079 -9.2079 -9.0992 -9.0992 -6.0734 -6.0734 -6.0524 -6.0524 -5.2900 -5.2900 -5.2564 -5.2564 -5.1647 -5.1647 -5.1110 -5.1110 -0.5784 -0.5784 0.1737 0.1737 0.2385 0.2385 0.5309 0.5309 0.5955 0.5955 0.6235 0.6235 2.1706 2.1706 2.2514 2.2514 2.9994 2.9994 3.0040 3.0040 3.3205 3.3205 3.4041 3.4041 3.4667 3.4667 3.9024 3.9024 4.0488 4.0488 4.3584 4.3584 4.4179 4.4179 6.8839 6.8839 8.9937 8.9937 9.0458 9.0458 k = 0.5000 0.2292-0.0000 ( 16558 PWs) bands (ev): -67.3150 -67.3150 -39.4055 -39.4055 -38.4853 -38.4853 -38.2895 -38.2895 -21.2947 -21.2947 -21.2857 -21.2857 -11.3029 -11.3029 -11.0970 -11.0970 -9.2077 -9.2077 -9.0986 -9.0986 -6.0730 -6.0730 -6.0530 -6.0530 -5.2903 -5.2903 -5.2563 -5.2563 -5.1641 -5.1641 -5.1117 -5.1117 -0.5781 -0.5781 0.1736 0.1736 0.2385 0.2385 0.5333 0.5333 0.6046 0.6046 0.6132 0.6132 2.1689 2.1689 2.2498 2.2498 2.9993 2.9993 3.0039 3.0039 3.3213 3.3213 3.4050 3.4050 3.4653 3.4653 3.9002 3.9002 4.0473 4.0473 4.3589 4.3589 4.4184 4.4184 6.8829 6.8829 9.0037 9.0037 9.0564 9.0564 k = 0.0000 0.0000 1.1999 ( 16484 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0675 -6.0675 -6.0384 -6.0384 -5.3311 -5.3311 -5.2943 -5.2943 -5.0322 -5.0322 -5.0269 -5.0269 -0.7543 -0.7543 -0.0478 -0.0478 0.3247 0.3247 0.4272 0.4272 0.9699 0.9699 1.1620 1.1620 2.3927 2.3927 2.7218 2.7218 3.1263 3.1263 3.1576 3.1576 3.1904 3.1904 3.4462 3.4462 3.9227 3.9227 4.1139 4.1139 4.1299 4.1299 4.2072 4.2072 4.4376 4.4376 6.7709 6.7709 6.9281 6.9281 8.1951 8.1951 k = 0.0227 0.0104 1.1999 ( 16478 PWs) bands (ev): -67.3128 -67.3128 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0674 -6.0674 -6.0385 -6.0385 -5.3311 -5.3311 -5.2943 -5.2943 -5.0323 -5.0323 -5.0268 -5.0268 -0.7541 -0.7541 -0.0480 -0.0480 0.3251 0.3251 0.4266 0.4266 0.9710 0.9710 1.1611 1.1611 2.3931 2.3931 2.7215 2.7215 3.1268 3.1268 3.1576 3.1576 3.1908 3.1908 3.4444 3.4444 3.9231 3.9231 4.1146 4.1146 4.1303 4.1303 4.2093 4.2093 4.4359 4.4359 6.7717 6.7717 6.9273 6.9273 8.1958 8.1958 k = 0.0455 0.0208 1.1999 ( 16486 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2893 -38.2893 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0673 -6.0673 -6.0386 -6.0386 -5.3311 -5.3311 -5.2943 -5.2943 -5.0328 -5.0328 -5.0264 -5.0264 -0.7536 -0.7536 -0.0487 -0.0487 0.3263 0.3263 0.4246 0.4246 0.9742 0.9742 1.1584 1.1584 2.3942 2.3942 2.7207 2.7207 3.1285 3.1285 3.1575 3.1575 3.1926 3.1926 3.4392 3.4392 3.9229 3.9229 4.1157 4.1157 4.1294 4.1294 4.2132 4.2132 4.4319 4.4319 6.7740 6.7740 6.9248 6.9248 8.1972 8.1972 k = 0.0682 0.0313 1.1999 ( 16484 PWs) bands (ev): -67.3130 -67.3130 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0672 -6.0672 -6.0387 -6.0387 -5.3311 -5.3311 -5.2943 -5.2943 -5.0334 -5.0334 -5.0259 -5.0259 -0.7528 -0.7528 -0.0498 -0.0498 0.3283 0.3283 0.4214 0.4214 0.9795 0.9795 1.1539 1.1539 2.3957 2.3957 2.7195 2.7195 3.1315 3.1315 3.1573 3.1573 3.1960 3.1960 3.4308 3.4308 3.9232 3.9232 4.1158 4.1158 4.1297 4.1297 4.2201 4.2201 4.4273 4.4273 6.7777 6.7777 6.9207 6.9207 8.1992 8.1992 k = 0.0909 0.0417 1.1999 ( 16480 PWs) bands (ev): -67.3129 -67.3129 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0670 -6.0670 -6.0389 -6.0389 -5.3311 -5.3311 -5.2943 -5.2943 -5.0340 -5.0340 -5.0253 -5.0253 -0.7518 -0.7518 -0.0513 -0.0513 0.3312 0.3312 0.4171 0.4171 0.9867 0.9867 1.1477 1.1477 2.3978 2.3978 2.7179 2.7179 3.1350 3.1350 3.1571 3.1571 3.2012 3.2012 3.4195 3.4195 3.9236 3.9236 4.1163 4.1163 4.1302 4.1302 4.2290 4.2290 4.4210 4.4210 6.7828 6.7828 6.9152 6.9152 8.2020 8.2020 k = 0.1136 0.0521 1.1999 ( 16470 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5048 -9.5048 -9.5046 -9.5046 -6.0667 -6.0667 -6.0391 -6.0391 -5.3310 -5.3310 -5.2943 -5.2943 -5.0347 -5.0347 -5.0247 -5.0247 -0.7507 -0.7507 -0.0529 -0.0529 0.3349 0.3349 0.4118 0.4118 0.9955 0.9955 1.1399 1.1399 2.4001 2.4001 2.7161 2.7161 3.1388 3.1388 3.1568 3.1568 3.2087 3.2087 3.4056 3.4056 3.9241 3.9241 4.1171 4.1171 4.1304 4.1304 4.2402 4.2402 4.4139 4.4139 6.7892 6.7892 6.9082 6.9082 8.2052 8.2052 k = 0.1364 0.0625 1.1999 ( 16470 PWs) bands (ev): -67.3127 -67.3127 -39.4052 -39.4052 -38.4850 -38.4850 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5046 -9.5046 -6.0665 -6.0665 -6.0393 -6.0393 -5.3310 -5.3310 -5.2943 -5.2943 -5.0353 -5.0353 -5.0242 -5.0242 -0.7495 -0.7495 -0.0546 -0.0546 0.3392 0.3392 0.4058 0.4058 1.0058 1.0058 1.1308 1.1308 2.4026 2.4026 2.7141 2.7141 3.1423 3.1423 3.1564 3.1564 3.2183 3.2183 3.3898 3.3898 3.9238 3.9238 4.1173 4.1173 4.1305 4.1305 4.2530 4.2530 4.4047 4.4047 6.7968 6.7968 6.9001 6.9001 8.2083 8.2083 k = 0.1591 0.0729 1.1999 ( 16452 PWs) bands (ev): -67.3123 -67.3123 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5046 -9.5046 -6.0662 -6.0662 -6.0395 -6.0395 -5.3310 -5.3310 -5.2943 -5.2943 -5.0358 -5.0358 -5.0238 -5.0238 -0.7483 -0.7483 -0.0562 -0.0562 0.3443 0.3443 0.3993 0.3993 1.0174 1.0174 1.1203 1.1203 2.4050 2.4050 2.7122 2.7122 3.1453 3.1453 3.1559 3.1559 3.2303 3.2303 3.3724 3.3724 3.9245 3.9245 4.1184 4.1184 4.1313 4.1313 4.2680 4.2680 4.3942 4.3942 6.8055 6.8055 6.8910 6.8910 8.2117 8.2117 k = 0.1818 0.0833 1.1999 ( 16458 PWs) bands (ev): -67.3124 -67.3124 -39.4052 -39.4052 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5046 -9.5046 -6.0660 -6.0660 -6.0397 -6.0397 -5.3310 -5.3310 -5.2943 -5.2943 -5.0362 -5.0362 -5.0234 -5.0234 -0.7473 -0.7473 -0.0576 -0.0576 0.3498 0.3498 0.3923 0.3923 1.0297 1.0297 1.1089 1.1089 2.4071 2.4071 2.7105 2.7105 3.1478 3.1478 3.1554 3.1554 3.2442 3.2442 3.3538 3.3538 3.9246 3.9246 4.1181 4.1181 4.1316 4.1316 4.2818 4.2818 4.3821 4.3821 6.8149 6.8149 6.8811 6.8811 8.2145 8.2145 k = 0.2045 0.0938 1.1999 ( 16442 PWs) bands (ev): -67.3121 -67.3121 -39.4051 -39.4051 -38.4848 -38.4848 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5046 -9.5046 -6.0658 -6.0658 -6.0399 -6.0399 -5.3309 -5.3309 -5.2943 -5.2943 -5.0366 -5.0366 -5.0231 -5.0231 -0.7465 -0.7465 -0.0587 -0.0587 0.3558 0.3558 0.3853 0.3853 1.0427 1.0427 1.0966 1.0966 2.4088 2.4088 2.7092 2.7092 3.1498 3.1498 3.1547 3.1547 3.2602 3.2602 3.3348 3.3348 3.9249 3.9249 4.1189 4.1189 4.1322 4.1322 4.2969 4.2969 4.3707 4.3707 6.8249 6.8249 6.8708 6.8708 8.2169 8.2169 k = 0.2273 0.1042 1.1999 ( 16452 PWs) bands (ev): -67.3123 -67.3123 -39.4051 -39.4051 -38.4849 -38.4849 -38.2891 -38.2891 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5047 -9.5047 -6.0657 -6.0657 -6.0400 -6.0400 -5.3309 -5.3309 -5.2944 -5.2944 -5.0368 -5.0368 -5.0230 -5.0230 -0.7460 -0.7460 -0.0594 -0.0594 0.3619 0.3619 0.3785 0.3785 1.0559 1.0559 1.0838 1.0838 2.4099 2.4099 2.7084 2.7084 3.1514 3.1514 3.1538 3.1538 3.2774 3.2774 3.3155 3.3155 3.9244 3.9244 4.1191 4.1191 4.1316 4.1316 4.3084 4.3084 4.3594 4.3594 6.8349 6.8349 6.8606 6.8606 8.2183 8.2183 k = 0.2500 0.1146 1.1999 ( 16456 PWs) bands (ev): -67.3124 -67.3124 -39.4051 -39.4051 -38.4849 -38.4849 -38.2892 -38.2892 -21.2858 -21.2858 -21.2824 -21.2824 -11.1006 -11.1006 -11.0003 -11.0003 -9.5047 -9.5047 -9.5047 -9.5047 -6.0657 -6.0657 -6.0400 -6.0400 -5.3309 -5.3309 -5.2944 -5.2944 -5.0368 -5.0368 -5.0229 -5.0229 -0.7458 -0.7458 -0.0597 -0.0597 0.3658 0.3658 0.3744 0.3744 1.0662 1.0662 1.0736 1.0736 2.4103 2.4103 2.7081 2.7081 3.1527 3.1527 3.1528 3.1528 3.2931 3.2931 3.2989 3.2989 3.9242 3.9242 4.1193 4.1193 4.1316 4.1316 4.3135 4.3135 4.3542 4.3542 6.8412 6.8412 6.8542 6.8542 8.2188 8.2188 Writing output data file Rb2CrCl4.save init_run : 0.40s CPU 0.61s WALL ( 1 calls) electrons : 694.18s CPU 698.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.07s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 694.18s CPU 698.90s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.17s WALL ( 277 calls) cegterg : 619.94s CPU 623.56s WALL ( 399 calls) Called by sum_band: Called by *egterg: h_psi : 530.04s CPU 533.93s WALL ( 6156 calls) s_psi : 11.88s CPU 11.91s WALL ( 6156 calls) g_psi : 0.48s CPU 0.46s WALL ( 5480 calls) cdiaghg : 96.64s CPU 96.88s WALL ( 5757 calls) cegterg:over : 17.51s CPU 17.57s WALL ( 5480 calls) cegterg:upda : 12.99s CPU 12.92s WALL ( 5480 calls) cegterg:last : 8.09s CPU 8.13s WALL ( 953 calls) cdiaghg:chol : 3.93s CPU 3.96s WALL ( 5757 calls) cdiaghg:inve : 2.74s CPU 2.75s WALL ( 5757 calls) cdiaghg:para : 5.58s CPU 5.78s WALL ( 11514 calls) Called by h_psi: h_psi:vloc : 501.28s CPU 505.26s WALL ( 6156 calls) h_psi:vnl : 28.23s CPU 28.12s WALL ( 6156 calls) add_vuspsi : 14.43s CPU 14.50s WALL ( 6156 calls) General routines calbec : 13.78s CPU 13.59s WALL ( 6156 calls) fft : 0.01s CPU 0.02s WALL ( 15 calls) fftw : 480.60s CPU 484.76s WALL ( 823620 calls) davcio : 0.29s CPU 0.45s WALL ( 554 calls) Parallel routines fft_scatter : 210.22s CPU 211.15s WALL ( 823635 calls) PWSCF : 12m43.73s CPU 13m 8.74s WALL This run was terminated on: 9:34:45 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=