Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:17 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnO.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 22 6 1335 604 98 Max 38 23 7 1342 619 105 Sum 1361 805 241 48189 21925 3663 bravais-lattice index = 14 lattice parameter (alat) = 7.2743 a.u. unit-cell volume = 489.3804 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.274311 celldm(2)= 1.000000 celldm(3)= 1.271367 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.271367 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.786555 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 O 6.00 15.99940 O( 1.00) Sn 14.00 118.71000 Sn( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -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 [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 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 [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0025773 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0025773 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0025773 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0025773 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0025773 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0025773 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0025773 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0025773 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0025773 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0025773 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0025773 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0025773 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0025773 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0025773 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0025773 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0025773 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0025773 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0025773 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0025773 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0025773 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0025773 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0025773 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0025773 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0025773 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0025773 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0025773 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0025773 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0025773 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0025773 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0025773 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0025773 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0025773 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0025773 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0025773 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0025773 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0025773 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0025773 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0025773 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0025773 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0025773 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0025773 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0025773 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0025773 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0025773 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0025773 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0025773 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0025773 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0025773 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0025773 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0025773 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0025773 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0025773 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0025773 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0025773 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0025773 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0025773 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0025773 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0025773 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0025773 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0025773 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0025773 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0025773 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0025773 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0025773 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0025773 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0025773 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0025773 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0025773 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0025773 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0025773 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0025773 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0025773 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0025773 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0025773 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0025773 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0025773 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0025773 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0025773 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0025773 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0025773 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0025773 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0025773 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0025773 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0025773 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0025773 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0025773 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0025773 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0025773 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0025773 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0025773 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0025773 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0025773 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0025773 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0025773 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0025773 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0025773 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0025773 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0025773 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0025773 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025773 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0025773 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0025773 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0025773 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0025773 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0025773 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0025773 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0025773 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0025773 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0025773 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0025773 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0025773 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0025773 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0025773 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0025773 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0025773 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0025773 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0025773 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0025773 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0025773 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0025773 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0025773 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0025773 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0025773 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0025773 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0025773 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0025773 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0025773 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0025773 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 145) = ( 0.0000000 0.0000000 0.0119175), wk = 0.0025773 k( 146) = ( 0.0000000 0.0000000 0.0238350), wk = 0.0025773 k( 147) = ( 0.0000000 0.0000000 0.0357525), wk = 0.0025773 k( 148) = ( 0.0000000 0.0000000 0.0476700), wk = 0.0025773 k( 149) = ( 0.0000000 0.0000000 0.0595875), wk = 0.0025773 k( 150) = ( 0.0000000 0.0000000 0.0715050), wk = 0.0025773 k( 151) = ( 0.0000000 0.0000000 0.0834225), wk = 0.0025773 k( 152) = ( 0.0000000 0.0000000 0.0953400), wk = 0.0025773 k( 153) = ( 0.0000000 0.0000000 0.1072575), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.1191750), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.1310925), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.1430100), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.1549275), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.1668450), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.1787625), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.1906800), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.2025975), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.2145150), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.2264325), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.2383500), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.2502675), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.2621850), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.2741025), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.2860200), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.2979375), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.3098550), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.3217725), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.3336900), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.3456075), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.3575250), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.3694425), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.3813600), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.3932775), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.3932775), wk = 0.0025773 k( 179) = ( 0.0000000 0.0121951 0.3932775), wk = 0.0025773 k( 180) = ( 0.0000000 0.0243902 0.3932775), wk = 0.0025773 k( 181) = ( 0.0000000 0.0365854 0.3932775), wk = 0.0025773 k( 182) = ( 0.0000000 0.0487805 0.3932775), wk = 0.0025773 k( 183) = ( 0.0000000 0.0609756 0.3932775), wk = 0.0025773 k( 184) = ( 0.0000000 0.0731707 0.3932775), wk = 0.0025773 k( 185) = ( 0.0000000 0.0853658 0.3932775), wk = 0.0025773 k( 186) = ( 0.0000000 0.0975610 0.3932775), wk = 0.0025773 k( 187) = ( 0.0000000 0.1097561 0.3932775), wk = 0.0025773 k( 188) = ( 0.0000000 0.1219512 0.3932775), wk = 0.0025773 k( 189) = ( 0.0000000 0.1341463 0.3932775), wk = 0.0025773 k( 190) = ( 0.0000000 0.1463415 0.3932775), wk = 0.0025773 k( 191) = ( 0.0000000 0.1585366 0.3932775), wk = 0.0025773 k( 192) = ( 0.0000000 0.1707317 0.3932775), wk = 0.0025773 k( 193) = ( 0.0000000 0.1829268 0.3932775), wk = 0.0025773 k( 194) = ( 0.0000000 0.1951219 0.3932775), wk = 0.0025773 k( 195) = ( 0.0000000 0.2073171 0.3932775), wk = 0.0025773 k( 196) = ( 0.0000000 0.2195122 0.3932775), wk = 0.0025773 k( 197) = ( 0.0000000 0.2317073 0.3932775), wk = 0.0025773 k( 198) = ( 0.0000000 0.2439024 0.3932775), wk = 0.0025773 k( 199) = ( 0.0000000 0.2560976 0.3932775), wk = 0.0025773 k( 200) = ( 0.0000000 0.2682927 0.3932775), wk = 0.0025773 k( 201) = ( 0.0000000 0.2804878 0.3932775), wk = 0.0025773 k( 202) = ( 0.0000000 0.2926829 0.3932775), wk = 0.0025773 k( 203) = ( 0.0000000 0.3048781 0.3932775), wk = 0.0025773 k( 204) = ( 0.0000000 0.3170732 0.3932775), wk = 0.0025773 k( 205) = ( 0.0000000 0.3292683 0.3932775), wk = 0.0025773 k( 206) = ( 0.0000000 0.3414634 0.3932775), wk = 0.0025773 k( 207) = ( 0.0000000 0.3536585 0.3932775), wk = 0.0025773 k( 208) = ( 0.0000000 0.3658537 0.3932775), wk = 0.0025773 k( 209) = ( 0.0000000 0.3780488 0.3932775), wk = 0.0025773 k( 210) = ( 0.0000000 0.3902439 0.3932775), wk = 0.0025773 k( 211) = ( 0.0000000 0.4024390 0.3932775), wk = 0.0025773 k( 212) = ( 0.0000000 0.4146341 0.3932775), wk = 0.0025773 k( 213) = ( 0.0000000 0.4268293 0.3932775), wk = 0.0025773 k( 214) = ( 0.0000000 0.4390244 0.3932775), wk = 0.0025773 k( 215) = ( 0.0000000 0.4512195 0.3932775), wk = 0.0025773 k( 216) = ( 0.0000000 0.4634146 0.3932775), wk = 0.0025773 k( 217) = ( 0.0000000 0.4756098 0.3932775), wk = 0.0025773 k( 218) = ( 0.0000000 0.4878049 0.3932775), wk = 0.0025773 k( 219) = ( 0.0000000 0.5000000 0.3932775), wk = 0.0025773 k( 220) = ( 0.0000000 0.5000000 0.3932775), wk = 0.0025773 k( 221) = ( 0.0121951 0.5000000 0.3932775), wk = 0.0025773 k( 222) = ( 0.0243902 0.5000000 0.3932775), wk = 0.0025773 k( 223) = ( 0.0365854 0.5000000 0.3932775), wk = 0.0025773 k( 224) = ( 0.0487805 0.5000000 0.3932775), wk = 0.0025773 k( 225) = ( 0.0609756 0.5000000 0.3932775), wk = 0.0025773 k( 226) = ( 0.0731707 0.5000000 0.3932775), wk = 0.0025773 k( 227) = ( 0.0853658 0.5000000 0.3932775), wk = 0.0025773 k( 228) = ( 0.0975610 0.5000000 0.3932775), wk = 0.0025773 k( 229) = ( 0.1097561 0.5000000 0.3932775), wk = 0.0025773 k( 230) = ( 0.1219512 0.5000000 0.3932775), wk = 0.0025773 k( 231) = ( 0.1341463 0.5000000 0.3932775), wk = 0.0025773 k( 232) = ( 0.1463415 0.5000000 0.3932775), wk = 0.0025773 k( 233) = ( 0.1585366 0.5000000 0.3932775), wk = 0.0025773 k( 234) = ( 0.1707317 0.5000000 0.3932775), wk = 0.0025773 k( 235) = ( 0.1829268 0.5000000 0.3932775), wk = 0.0025773 k( 236) = ( 0.1951219 0.5000000 0.3932775), wk = 0.0025773 k( 237) = ( 0.2073171 0.5000000 0.3932775), wk = 0.0025773 k( 238) = ( 0.2195122 0.5000000 0.3932775), wk = 0.0025773 k( 239) = ( 0.2317073 0.5000000 0.3932775), wk = 0.0025773 k( 240) = ( 0.2439024 0.5000000 0.3932775), wk = 0.0025773 k( 241) = ( 0.2560976 0.5000000 0.3932775), wk = 0.0025773 k( 242) = ( 0.2682927 0.5000000 0.3932775), wk = 0.0025773 k( 243) = ( 0.2804878 0.5000000 0.3932775), wk = 0.0025773 k( 244) = ( 0.2926829 0.5000000 0.3932775), wk = 0.0025773 k( 245) = ( 0.3048781 0.5000000 0.3932775), wk = 0.0025773 k( 246) = ( 0.3170732 0.5000000 0.3932775), wk = 0.0025773 k( 247) = ( 0.3292683 0.5000000 0.3932775), wk = 0.0025773 k( 248) = ( 0.3414634 0.5000000 0.3932775), wk = 0.0025773 k( 249) = ( 0.3536585 0.5000000 0.3932775), wk = 0.0025773 k( 250) = ( 0.3658537 0.5000000 0.3932775), wk = 0.0025773 k( 251) = ( 0.3780488 0.5000000 0.3932775), wk = 0.0025773 k( 252) = ( 0.3902439 0.5000000 0.3932775), wk = 0.0025773 k( 253) = ( 0.4024390 0.5000000 0.3932775), wk = 0.0025773 k( 254) = ( 0.4146341 0.5000000 0.3932775), wk = 0.0025773 k( 255) = ( 0.4268293 0.5000000 0.3932775), wk = 0.0025773 k( 256) = ( 0.4390244 0.5000000 0.3932775), wk = 0.0025773 k( 257) = ( 0.4512195 0.5000000 0.3932775), wk = 0.0025773 k( 258) = ( 0.4634146 0.5000000 0.3932775), wk = 0.0025773 k( 259) = ( 0.4756098 0.5000000 0.3932775), wk = 0.0025773 k( 260) = ( 0.4878049 0.5000000 0.3932775), wk = 0.0025773 k( 261) = ( 0.5000000 0.5000000 0.3932775), wk = 0.0025773 k( 262) = ( 0.5000000 0.5000000 0.3932775), wk = 0.0025773 k( 263) = ( 0.4913793 0.4913793 0.3932775), wk = 0.0025773 k( 264) = ( 0.4827586 0.4827586 0.3932775), wk = 0.0025773 k( 265) = ( 0.4741379 0.4741379 0.3932775), wk = 0.0025773 k( 266) = ( 0.4655172 0.4655172 0.3932775), wk = 0.0025773 k( 267) = ( 0.4568966 0.4568965 0.3932775), wk = 0.0025773 k( 268) = ( 0.4482759 0.4482759 0.3932775), wk = 0.0025773 k( 269) = ( 0.4396552 0.4396552 0.3932775), wk = 0.0025773 k( 270) = ( 0.4310345 0.4310345 0.3932775), wk = 0.0025773 k( 271) = ( 0.4224138 0.4224138 0.3932775), wk = 0.0025773 k( 272) = ( 0.4137931 0.4137931 0.3932775), wk = 0.0025773 k( 273) = ( 0.4051724 0.4051724 0.3932775), wk = 0.0025773 k( 274) = ( 0.3965517 0.3965517 0.3932775), wk = 0.0025773 k( 275) = ( 0.3879310 0.3879310 0.3932775), wk = 0.0025773 k( 276) = ( 0.3793103 0.3793103 0.3932775), wk = 0.0025773 k( 277) = ( 0.3706897 0.3706897 0.3932775), wk = 0.0025773 k( 278) = ( 0.3620690 0.3620690 0.3932775), wk = 0.0025773 k( 279) = ( 0.3534483 0.3534483 0.3932775), wk = 0.0025773 k( 280) = ( 0.3448276 0.3448276 0.3932775), wk = 0.0025773 k( 281) = ( 0.3362069 0.3362069 0.3932775), wk = 0.0025773 k( 282) = ( 0.3275862 0.3275862 0.3932775), wk = 0.0025773 k( 283) = ( 0.3189655 0.3189655 0.3932775), wk = 0.0025773 k( 284) = ( 0.3103448 0.3103448 0.3932775), wk = 0.0025773 k( 285) = ( 0.3017241 0.3017241 0.3932775), wk = 0.0025773 k( 286) = ( 0.2931034 0.2931034 0.3932775), wk = 0.0025773 k( 287) = ( 0.2844828 0.2844828 0.3932775), wk = 0.0025773 k( 288) = ( 0.2758621 0.2758621 0.3932775), wk = 0.0025773 k( 289) = ( 0.2672414 0.2672414 0.3932775), wk = 0.0025773 k( 290) = ( 0.2586207 0.2586207 0.3932775), wk = 0.0025773 k( 291) = ( 0.2500000 0.2500000 0.3932775), wk = 0.0025773 k( 292) = ( 0.2413793 0.2413793 0.3932775), wk = 0.0025773 k( 293) = ( 0.2327586 0.2327586 0.3932775), wk = 0.0025773 k( 294) = ( 0.2241379 0.2241379 0.3932775), wk = 0.0025773 k( 295) = ( 0.2155172 0.2155172 0.3932775), wk = 0.0025773 k( 296) = ( 0.2068966 0.2068965 0.3932775), wk = 0.0025773 k( 297) = ( 0.1982759 0.1982759 0.3932775), wk = 0.0025773 k( 298) = ( 0.1896552 0.1896552 0.3932775), wk = 0.0025773 k( 299) = ( 0.1810345 0.1810345 0.3932775), wk = 0.0025773 k( 300) = ( 0.1724138 0.1724138 0.3932775), wk = 0.0025773 k( 301) = ( 0.1637931 0.1637931 0.3932775), wk = 0.0025773 k( 302) = ( 0.1551724 0.1551724 0.3932775), wk = 0.0025773 k( 303) = ( 0.1465517 0.1465517 0.3932775), wk = 0.0025773 k( 304) = ( 0.1379310 0.1379310 0.3932775), wk = 0.0025773 k( 305) = ( 0.1293103 0.1293103 0.3932775), wk = 0.0025773 k( 306) = ( 0.1206897 0.1206897 0.3932775), wk = 0.0025773 k( 307) = ( 0.1120690 0.1120690 0.3932775), wk = 0.0025773 k( 308) = ( 0.1034483 0.1034483 0.3932775), wk = 0.0025773 k( 309) = ( 0.0948276 0.0948276 0.3932775), wk = 0.0025773 k( 310) = ( 0.0862069 0.0862069 0.3932775), wk = 0.0025773 k( 311) = ( 0.0775862 0.0775862 0.3932775), wk = 0.0025773 k( 312) = ( 0.0689655 0.0689655 0.3932775), wk = 0.0025773 k( 313) = ( 0.0603448 0.0603448 0.3932775), wk = 0.0025773 k( 314) = ( 0.0517241 0.0517241 0.3932775), wk = 0.0025773 k( 315) = ( 0.0431035 0.0431034 0.3932775), wk = 0.0025773 k( 316) = ( 0.0344828 0.0344828 0.3932775), wk = 0.0025773 k( 317) = ( 0.0258621 0.0258621 0.3932775), wk = 0.0025773 k( 318) = ( 0.0172414 0.0172414 0.3932775), wk = 0.0025773 k( 319) = ( 0.0086207 0.0086207 0.3932775), wk = 0.0025773 k( 320) = ( 0.0000000 0.0000000 0.3932775), wk = 0.0025773 k( 321) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 322) = ( 0.0000000 0.5000000 0.0119175), wk = 0.0025773 k( 323) = ( 0.0000000 0.5000000 0.0238350), wk = 0.0025773 k( 324) = ( 0.0000000 0.5000000 0.0357525), wk = 0.0025773 k( 325) = ( 0.0000000 0.5000000 0.0476700), wk = 0.0025773 k( 326) = ( 0.0000000 0.5000000 0.0595875), wk = 0.0025773 k( 327) = ( 0.0000000 0.5000000 0.0715050), wk = 0.0025773 k( 328) = ( 0.0000000 0.5000000 0.0834225), wk = 0.0025773 k( 329) = ( 0.0000000 0.5000000 0.0953400), wk = 0.0025773 k( 330) = ( 0.0000000 0.5000000 0.1072575), wk = 0.0025773 k( 331) = ( 0.0000000 0.5000000 0.1191750), wk = 0.0025773 k( 332) = ( 0.0000000 0.5000000 0.1310925), wk = 0.0025773 k( 333) = ( 0.0000000 0.5000000 0.1430100), wk = 0.0025773 k( 334) = ( 0.0000000 0.5000000 0.1549275), wk = 0.0025773 k( 335) = ( 0.0000000 0.5000000 0.1668450), wk = 0.0025773 k( 336) = ( 0.0000000 0.5000000 0.1787625), wk = 0.0025773 k( 337) = ( 0.0000000 0.5000000 0.1906800), wk = 0.0025773 k( 338) = ( 0.0000000 0.5000000 0.2025975), wk = 0.0025773 k( 339) = ( 0.0000000 0.5000000 0.2145150), wk = 0.0025773 k( 340) = ( 0.0000000 0.5000000 0.2264325), wk = 0.0025773 k( 341) = ( 0.0000000 0.5000000 0.2383500), wk = 0.0025773 k( 342) = ( 0.0000000 0.5000000 0.2502675), wk = 0.0025773 k( 343) = ( 0.0000000 0.5000000 0.2621850), wk = 0.0025773 k( 344) = ( 0.0000000 0.5000000 0.2741025), wk = 0.0025773 k( 345) = ( 0.0000000 0.5000000 0.2860200), wk = 0.0025773 k( 346) = ( 0.0000000 0.5000000 0.2979375), wk = 0.0025773 k( 347) = ( 0.0000000 0.5000000 0.3098550), wk = 0.0025773 k( 348) = ( 0.0000000 0.5000000 0.3217725), wk = 0.0025773 k( 349) = ( 0.0000000 0.5000000 0.3336900), wk = 0.0025773 k( 350) = ( 0.0000000 0.5000000 0.3456075), wk = 0.0025773 k( 351) = ( 0.0000000 0.5000000 0.3575250), wk = 0.0025773 k( 352) = ( 0.0000000 0.5000000 0.3694425), wk = 0.0025773 k( 353) = ( 0.0000000 0.5000000 0.3813600), wk = 0.0025773 k( 354) = ( 0.0000000 0.5000000 0.3932775), wk = 0.0025773 k( 355) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 356) = ( 0.5000000 0.5000000 0.0119175), wk = 0.0025773 k( 357) = ( 0.5000000 0.5000000 0.0238350), wk = 0.0025773 k( 358) = ( 0.5000000 0.5000000 0.0357525), wk = 0.0025773 k( 359) = ( 0.5000000 0.5000000 0.0476700), wk = 0.0025773 k( 360) = ( 0.5000000 0.5000000 0.0595875), wk = 0.0025773 k( 361) = ( 0.5000000 0.5000000 0.0715050), wk = 0.0025773 k( 362) = ( 0.5000000 0.5000000 0.0834225), wk = 0.0025773 k( 363) = ( 0.5000000 0.5000000 0.0953400), wk = 0.0025773 k( 364) = ( 0.5000000 0.5000000 0.1072575), wk = 0.0025773 k( 365) = ( 0.5000000 0.5000000 0.1191750), wk = 0.0025773 k( 366) = ( 0.5000000 0.5000000 0.1310925), wk = 0.0025773 k( 367) = ( 0.5000000 0.5000000 0.1430100), wk = 0.0025773 k( 368) = ( 0.5000000 0.5000000 0.1549275), wk = 0.0025773 k( 369) = ( 0.5000000 0.5000000 0.1668450), wk = 0.0025773 k( 370) = ( 0.5000000 0.5000000 0.1787625), wk = 0.0025773 k( 371) = ( 0.5000000 0.5000000 0.1906800), wk = 0.0025773 k( 372) = ( 0.5000000 0.5000000 0.2025975), wk = 0.0025773 k( 373) = ( 0.5000000 0.5000000 0.2145150), wk = 0.0025773 k( 374) = ( 0.5000000 0.5000000 0.2264325), wk = 0.0025773 k( 375) = ( 0.5000000 0.5000000 0.2383500), wk = 0.0025773 k( 376) = ( 0.5000000 0.5000000 0.2502675), wk = 0.0025773 k( 377) = ( 0.5000000 0.5000000 0.2621850), wk = 0.0025773 k( 378) = ( 0.5000000 0.5000000 0.2741025), wk = 0.0025773 k( 379) = ( 0.5000000 0.5000000 0.2860200), wk = 0.0025773 k( 380) = ( 0.5000000 0.5000000 0.2979375), wk = 0.0025773 k( 381) = ( 0.5000000 0.5000000 0.3098550), wk = 0.0025773 k( 382) = ( 0.5000000 0.5000000 0.3217725), wk = 0.0025773 k( 383) = ( 0.5000000 0.5000000 0.3336900), wk = 0.0025773 k( 384) = ( 0.5000000 0.5000000 0.3456075), wk = 0.0025773 k( 385) = ( 0.5000000 0.5000000 0.3575250), wk = 0.0025773 k( 386) = ( 0.5000000 0.5000000 0.3694425), wk = 0.0025773 k( 387) = ( 0.5000000 0.5000000 0.3813600), wk = 0.0025773 k( 388) = ( 0.5000000 0.5000000 0.3932775), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0025773 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0025773 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0025773 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0025773 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0025773 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0025773 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0025773 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0025773 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0025773 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0025773 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0025773 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0025773 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0025773 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0025773 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0025773 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0025773 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0025773 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0025773 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0025773 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0025773 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0025773 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0025773 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0025773 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0025773 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0025773 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0025773 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0025773 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0025773 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0025773 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0025773 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0025773 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0025773 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0025773 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0025773 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0025773 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0025773 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0025773 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0025773 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0025773 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0025773 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0025773 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0025773 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0025773 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0025773 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0025773 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0025773 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0025773 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0025773 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0025773 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0025773 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0025773 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0025773 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0025773 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0025773 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0025773 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0025773 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0025773 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0025773 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0025773 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0025773 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0025773 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0025773 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0025773 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0025773 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0025773 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0025773 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0025773 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0025773 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0025773 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0025773 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0025773 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0025773 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0025773 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0025773 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0025773 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0025773 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0025773 k( 90) = ( 0.4568966 0.4568966 -0.0000000), wk = 0.0025773 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0025773 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0025773 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0025773 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0025773 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0025773 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0025773 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0025773 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0025773 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0025773 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0025773 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0025773 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0025773 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0025773 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0025773 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0025773 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0025773 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0025773 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0025773 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0025773 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0025773 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0025773 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0025773 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0025773 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025773 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0025773 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0025773 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0025773 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0025773 k( 119) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0025773 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0025773 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0025773 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0025773 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0025773 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0025773 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0025773 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0025773 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0025773 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0025773 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0025773 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0025773 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0025773 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0025773 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0025773 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0025773 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0025773 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0025773 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0025773 k( 138) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0025773 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0025773 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0025773 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0025773 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0025773 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 145) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0025773 k( 146) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0025773 k( 147) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0025773 k( 148) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0025773 k( 149) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0025773 k( 150) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0025773 k( 151) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0025773 k( 152) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0025773 k( 153) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 179) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0025773 k( 180) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0025773 k( 181) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0025773 k( 182) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0025773 k( 183) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0025773 k( 184) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0025773 k( 185) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0025773 k( 186) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0025773 k( 187) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0025773 k( 188) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0025773 k( 189) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0025773 k( 190) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0025773 k( 191) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0025773 k( 192) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0025773 k( 193) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0025773 k( 194) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0025773 k( 195) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0025773 k( 196) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0025773 k( 197) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0025773 k( 198) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0025773 k( 199) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0025773 k( 200) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0025773 k( 201) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0025773 k( 202) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0025773 k( 203) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0025773 k( 204) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0025773 k( 205) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0025773 k( 206) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0025773 k( 207) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0025773 k( 208) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0025773 k( 209) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0025773 k( 210) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0025773 k( 211) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0025773 k( 212) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0025773 k( 213) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0025773 k( 214) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0025773 k( 215) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0025773 k( 216) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0025773 k( 217) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0025773 k( 218) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0025773 k( 219) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 221) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0025773 k( 222) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0025773 k( 223) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0025773 k( 224) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0025773 k( 225) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0025773 k( 226) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0025773 k( 227) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0025773 k( 228) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0025773 k( 229) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0025773 k( 230) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0025773 k( 231) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0025773 k( 232) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0025773 k( 233) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0025773 k( 234) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0025773 k( 235) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0025773 k( 236) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0025773 k( 237) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0025773 k( 238) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0025773 k( 239) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0025773 k( 240) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0025773 k( 241) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0025773 k( 242) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0025773 k( 243) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0025773 k( 244) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0025773 k( 245) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0025773 k( 246) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0025773 k( 247) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0025773 k( 248) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0025773 k( 249) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0025773 k( 250) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0025773 k( 251) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0025773 k( 252) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0025773 k( 253) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0025773 k( 254) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0025773 k( 255) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0025773 k( 256) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0025773 k( 257) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0025773 k( 258) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0025773 k( 259) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0025773 k( 260) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0025773 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 263) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0025773 k( 264) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0025773 k( 265) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0025773 k( 266) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0025773 k( 267) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0025773 k( 268) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0025773 k( 269) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0025773 k( 270) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0025773 k( 271) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0025773 k( 272) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0025773 k( 273) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0025773 k( 274) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0025773 k( 275) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0025773 k( 276) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0025773 k( 277) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0025773 k( 278) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0025773 k( 279) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0025773 k( 280) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0025773 k( 281) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0025773 k( 282) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0025773 k( 283) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0025773 k( 284) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0025773 k( 285) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0025773 k( 286) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0025773 k( 287) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0025773 k( 288) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0025773 k( 289) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0025773 k( 290) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0025773 k( 291) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025773 k( 292) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0025773 k( 293) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0025773 k( 294) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0025773 k( 295) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0025773 k( 296) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0025773 k( 297) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0025773 k( 298) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0025773 k( 299) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0025773 k( 300) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0025773 k( 301) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0025773 k( 302) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0025773 k( 303) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0025773 k( 304) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0025773 k( 305) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0025773 k( 306) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0025773 k( 307) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0025773 k( 308) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0025773 k( 309) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0025773 k( 310) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0025773 k( 311) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0025773 k( 312) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0025773 k( 313) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0025773 k( 314) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0025773 k( 315) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0025773 k( 316) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0025773 k( 317) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0025773 k( 318) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0025773 k( 319) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0025773 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 321) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 322) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0025773 k( 323) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0025773 k( 324) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0025773 k( 325) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0025773 k( 326) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0025773 k( 327) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0025773 k( 328) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0025773 k( 329) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0025773 k( 330) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0025773 k( 331) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0025773 k( 332) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025773 k( 333) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0025773 k( 334) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0025773 k( 335) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0025773 k( 336) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0025773 k( 337) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0025773 k( 338) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0025773 k( 339) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0025773 k( 340) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0025773 k( 341) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0025773 k( 342) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0025773 k( 343) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025773 k( 344) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0025773 k( 345) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0025773 k( 346) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0025773 k( 347) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0025773 k( 348) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0025773 k( 349) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0025773 k( 350) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0025773 k( 351) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0025773 k( 352) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0025773 k( 353) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0025773 k( 354) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 355) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 356) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0025773 k( 357) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0025773 k( 358) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0025773 k( 359) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0025773 k( 360) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0025773 k( 361) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0025773 k( 362) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0025773 k( 363) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0025773 k( 364) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0025773 k( 365) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0025773 k( 366) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025773 k( 367) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0025773 k( 368) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0025773 k( 369) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0025773 k( 370) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0025773 k( 371) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0025773 k( 372) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0025773 k( 373) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0025773 k( 374) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0025773 k( 375) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0025773 k( 376) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0025773 k( 377) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025773 k( 378) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0025773 k( 379) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0025773 k( 380) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0025773 k( 381) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0025773 k( 382) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0025773 k( 383) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0025773 k( 384) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0025773 k( 385) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0025773 k( 386) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0025773 k( 387) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0025773 k( 388) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 Dense grid: 48189 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 21925 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 150, 48) NL pseudopotentials 0.11 Mb ( 75, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1337) G-vector shells 0.01 Mb ( 677) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 150, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.14 Mb ( 96, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnO.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.3 secs Computing kpt #: 13 total cpu time spent up to now is 5.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.3 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.9 secs Computing kpt #: 18 total cpu time spent up to now is 7.2 secs Computing kpt #: 19 total cpu time spent up to now is 7.5 secs Computing kpt #: 20 total cpu time spent up to now is 7.8 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.7 secs Computing kpt #: 27 total cpu time spent up to now is 10.0 secs Computing kpt #: 28 total cpu time spent up to now is 10.4 secs Computing kpt #: 29 total cpu time spent up to now is 10.7 secs Computing kpt #: 30 total cpu time spent up to now is 11.0 secs Computing kpt #: 31 total cpu time spent up to now is 11.3 secs Computing kpt #: 32 total cpu time spent up to now is 11.6 secs Computing kpt #: 33 total cpu time spent up to now is 11.9 secs Computing kpt #: 34 total cpu time spent up to now is 12.2 secs Computing kpt #: 35 total cpu time spent up to now is 12.5 secs Computing kpt #: 36 total cpu time spent up to now is 12.8 secs Computing kpt #: 37 total cpu time spent up to now is 13.2 secs Computing kpt #: 38 total cpu time spent up to now is 13.5 secs Computing kpt #: 39 total cpu time spent up to now is 13.8 secs Computing kpt #: 40 total cpu time spent up to now is 14.1 secs Computing kpt #: 41 total cpu time spent up to now is 14.4 secs Computing kpt #: 42 total cpu time spent up to now is 14.7 secs Computing kpt #: 43 total cpu time spent up to now is 15.0 secs Computing kpt #: 44 total cpu time spent up to now is 15.3 secs Computing kpt #: 45 total cpu time spent up to now is 15.6 secs Computing kpt #: 46 total cpu time spent up to now is 15.9 secs Computing kpt #: 47 total cpu time spent up to now is 16.2 secs Computing kpt #: 48 total cpu time spent up to now is 16.5 secs Computing kpt #: 49 total cpu time spent up to now is 16.9 secs Computing kpt #: 50 total cpu time spent up to now is 17.1 secs Computing kpt #: 51 total cpu time spent up to now is 17.4 secs Computing kpt #: 52 total cpu time spent up to now is 17.7 secs Computing kpt #: 53 total cpu time spent up to now is 18.0 secs Computing kpt #: 54 total cpu time spent up to now is 18.3 secs Computing kpt #: 55 total cpu time spent up to now is 18.6 secs Computing kpt #: 56 total cpu time spent up to now is 18.9 secs Computing kpt #: 57 total cpu time spent up to now is 19.2 secs Computing kpt #: 58 total cpu time spent up to now is 19.5 secs Computing kpt #: 59 total cpu time spent up to now is 19.8 secs Computing kpt #: 60 total cpu time spent up to now is 20.1 secs Computing kpt #: 61 total cpu time spent up to now is 20.4 secs Computing kpt #: 62 total cpu time spent up to now is 20.6 secs Computing kpt #: 63 total cpu time spent up to now is 20.9 secs Computing kpt #: 64 total cpu time spent up to now is 21.2 secs Computing kpt #: 65 total cpu time spent up to now is 21.5 secs Computing kpt #: 66 total cpu time spent up to now is 21.8 secs Computing kpt #: 67 total cpu time spent up to now is 22.0 secs Computing kpt #: 68 total cpu time spent up to now is 22.3 secs Computing kpt #: 69 total cpu time spent up to now is 22.6 secs Computing kpt #: 70 total cpu time spent up to now is 22.9 secs Computing kpt #: 71 total cpu time spent up to now is 23.1 secs Computing kpt #: 72 total cpu time spent up to now is 23.4 secs Computing kpt #: 73 total cpu time spent up to now is 23.7 secs Computing kpt #: 74 total cpu time spent up to now is 24.0 secs Computing kpt #: 75 total cpu time spent up to now is 24.3 secs Computing kpt #: 76 total cpu time spent up to now is 24.5 secs Computing kpt #: 77 total cpu time spent up to now is 24.8 secs Computing kpt #: 78 total cpu time spent up to now is 25.1 secs Computing kpt #: 79 total cpu time spent up to now is 25.4 secs Computing kpt #: 80 total cpu time spent up to now is 25.6 secs Computing kpt #: 81 total cpu time spent up to now is 25.9 secs Computing kpt #: 82 total cpu time spent up to now is 26.2 secs Computing kpt #: 83 total cpu time spent up to now is 26.5 secs Computing kpt #: 84 total cpu time spent up to now is 26.7 secs Computing kpt #: 85 total cpu time spent up to now is 27.0 secs Computing kpt #: 86 total cpu time spent up to now is 27.3 secs Computing kpt #: 87 total cpu time spent up to now is 27.5 secs Computing kpt #: 88 total cpu time spent up to now is 27.8 secs Computing kpt #: 89 total cpu time spent up to now is 28.1 secs Computing kpt #: 90 total cpu time spent up to now is 28.4 secs Computing kpt #: 91 total cpu time spent up to now is 28.6 secs Computing kpt #: 92 total cpu time spent up to now is 28.9 secs Computing kpt #: 93 total cpu time spent up to now is 29.2 secs Computing kpt #: 94 total cpu time spent up to now is 29.5 secs Computing kpt #: 95 total cpu time spent up to now is 29.7 secs Computing kpt #: 96 total cpu time spent up to now is 30.0 secs Computing kpt #: 97 total cpu time spent up to now is 30.3 secs Computing kpt #: 98 total cpu time spent up to now is 30.5 secs Computing kpt #: 99 total cpu time spent up to now is 30.8 secs Computing kpt #: 100 total cpu time spent up to now is 31.1 secs Computing kpt #: 101 total cpu time spent up to now is 31.4 secs Computing kpt #: 102 total cpu time spent up to now is 31.7 secs Computing kpt #: 103 total cpu time spent up to now is 31.9 secs Computing kpt #: 104 total cpu time spent up to now is 32.2 secs Computing kpt #: 105 total cpu time spent up to now is 32.5 secs Computing kpt #: 106 total cpu time spent up to now is 32.8 secs Computing kpt #: 107 total cpu time spent up to now is 33.1 secs Computing kpt #: 108 total cpu time spent up to now is 33.3 secs Computing kpt #: 109 total cpu time spent up to now is 33.6 secs Computing kpt #: 110 total cpu time spent up to now is 33.9 secs Computing kpt #: 111 total cpu time spent up to now is 34.2 secs Computing kpt #: 112 total cpu time spent up to now is 34.4 secs Computing kpt #: 113 total cpu time spent up to now is 34.7 secs Computing kpt #: 114 total cpu time spent up to now is 35.0 secs Computing kpt #: 115 total cpu time spent up to now is 35.3 secs Computing kpt #: 116 total cpu time spent up to now is 35.6 secs Computing kpt #: 117 total cpu time spent up to now is 35.8 secs Computing kpt #: 118 total cpu time spent up to now is 36.1 secs Computing kpt #: 119 total cpu time spent up to now is 36.4 secs Computing kpt #: 120 total cpu time spent up to now is 36.7 secs Computing kpt #: 121 total cpu time spent up to now is 36.9 secs Computing kpt #: 122 total cpu time spent up to now is 37.2 secs Computing kpt #: 123 total cpu time spent up to now is 37.5 secs Computing kpt #: 124 total cpu time spent up to now is 37.8 secs Computing kpt #: 125 total cpu time spent up to now is 38.1 secs Computing kpt #: 126 total cpu time spent up to now is 38.4 secs Computing kpt #: 127 total cpu time spent up to now is 38.7 secs Computing kpt #: 128 total cpu time spent up to now is 39.0 secs Computing kpt #: 129 total cpu time spent up to now is 39.3 secs Computing kpt #: 130 total cpu time spent up to now is 39.6 secs Computing kpt #: 131 total cpu time spent up to now is 39.9 secs Computing kpt #: 132 total cpu time spent up to now is 40.2 secs Computing kpt #: 133 total cpu time spent up to now is 40.5 secs Computing kpt #: 134 total cpu time spent up to now is 40.8 secs Computing kpt #: 135 total cpu time spent up to now is 41.1 secs Computing kpt #: 136 total cpu time spent up to now is 41.4 secs Computing kpt #: 137 total cpu time spent up to now is 41.7 secs Computing kpt #: 138 total cpu time spent up to now is 42.0 secs Computing kpt #: 139 total cpu time spent up to now is 42.3 secs Computing kpt #: 140 total cpu time spent up to now is 42.6 secs Computing kpt #: 141 total cpu time spent up to now is 42.9 secs Computing kpt #: 142 total cpu time spent up to now is 43.4 secs Computing kpt #: 143 total cpu time spent up to now is 43.7 secs Computing kpt #: 144 total cpu time spent up to now is 44.0 secs Computing kpt #: 145 total cpu time spent up to now is 44.3 secs Computing kpt #: 146 total cpu time spent up to now is 44.6 secs Computing kpt #: 147 total cpu time spent up to now is 44.9 secs Computing kpt #: 148 total cpu time spent up to now is 45.1 secs Computing kpt #: 149 total cpu time spent up to now is 45.4 secs Computing kpt #: 150 total cpu time spent up to now is 45.7 secs Computing kpt #: 151 total cpu time spent up to now is 46.0 secs Computing kpt #: 152 total cpu time spent up to now is 46.3 secs Computing kpt #: 153 total cpu time spent up to now is 46.5 secs Computing kpt #: 154 total cpu time spent up to now is 46.8 secs Computing kpt #: 155 total cpu time spent up to now is 47.0 secs Computing kpt #: 156 total cpu time spent up to now is 47.3 secs Computing kpt #: 157 total cpu time spent up to now is 47.6 secs Computing kpt #: 158 total cpu time spent up to now is 47.8 secs Computing kpt #: 159 total cpu time spent up to now is 48.1 secs Computing kpt #: 160 total cpu time spent up to now is 48.3 secs Computing kpt #: 161 total cpu time spent up to now is 48.6 secs Computing kpt #: 162 total cpu time spent up to now is 48.9 secs Computing kpt #: 163 total cpu time spent up to now is 49.1 secs Computing kpt #: 164 total cpu time spent up to now is 49.4 secs Computing kpt #: 165 total cpu time spent up to now is 49.6 secs Computing kpt #: 166 total cpu time spent up to now is 49.9 secs Computing kpt #: 167 total cpu time spent up to now is 50.1 secs Computing kpt #: 168 total cpu time spent up to now is 50.3 secs Computing kpt #: 169 total cpu time spent up to now is 50.6 secs Computing kpt #: 170 total cpu time spent up to now is 50.8 secs Computing kpt #: 171 total cpu time spent up to now is 51.1 secs Computing kpt #: 172 total cpu time spent up to now is 51.3 secs Computing kpt #: 173 total cpu time spent up to now is 51.6 secs Computing kpt #: 174 total cpu time spent up to now is 51.8 secs Computing kpt #: 175 total cpu time spent up to now is 52.0 secs Computing kpt #: 176 total cpu time spent up to now is 52.3 secs Computing kpt #: 177 total cpu time spent up to now is 52.5 secs Computing kpt #: 178 total cpu time spent up to now is 52.8 secs Computing kpt #: 179 total cpu time spent up to now is 53.0 secs Computing kpt #: 180 total cpu time spent up to now is 53.2 secs Computing kpt #: 181 total cpu time spent up to now is 53.5 secs Computing kpt #: 182 total cpu time spent up to now is 53.7 secs Computing kpt #: 183 total cpu time spent up to now is 54.0 secs Computing kpt #: 184 total cpu time spent up to now is 54.2 secs Computing kpt #: 185 total cpu time spent up to now is 54.5 secs Computing kpt #: 186 total cpu time spent up to now is 54.7 secs Computing kpt #: 187 total cpu time spent up to now is 54.9 secs Computing kpt #: 188 total cpu time spent up to now is 55.2 secs Computing kpt #: 189 total cpu time spent up to now is 55.4 secs Computing kpt #: 190 total cpu time spent up to now is 55.7 secs Computing kpt #: 191 total cpu time spent up to now is 56.0 secs Computing kpt #: 192 total cpu time spent up to now is 56.2 secs Computing kpt #: 193 total cpu time spent up to now is 56.5 secs Computing kpt #: 194 total cpu time spent up to now is 56.7 secs Computing kpt #: 195 total cpu time spent up to now is 57.0 secs Computing kpt #: 196 total cpu time spent up to now is 57.3 secs Computing kpt #: 197 total cpu time spent up to now is 57.6 secs Computing kpt #: 198 total cpu time spent up to now is 57.8 secs Computing kpt #: 199 total cpu time spent up to now is 58.2 secs Computing kpt #: 200 total cpu time spent up to now is 58.5 secs Computing kpt #: 201 total cpu time spent up to now is 58.8 secs Computing kpt #: 202 total cpu time spent up to now is 59.1 secs Computing kpt #: 203 total cpu time spent up to now is 59.4 secs Computing kpt #: 204 total cpu time spent up to now is 59.8 secs Computing kpt #: 205 total cpu time spent up to now is 60.1 secs Computing kpt #: 206 total cpu time spent up to now is 60.5 secs Computing kpt #: 207 total cpu time spent up to now is 60.8 secs Computing kpt #: 208 total cpu time spent up to now is 61.1 secs Computing kpt #: 209 total cpu time spent up to now is 61.4 secs Computing kpt #: 210 total cpu time spent up to now is 61.6 secs Computing kpt #: 211 total cpu time spent up to now is 61.9 secs Computing kpt #: 212 total cpu time spent up to now is 62.2 secs Computing kpt #: 213 total cpu time spent up to now is 62.5 secs Computing kpt #: 214 total cpu time spent up to now is 62.8 secs Computing kpt #: 215 total cpu time spent up to now is 63.1 secs Computing kpt #: 216 total cpu time spent up to now is 63.4 secs Computing kpt #: 217 total cpu time spent up to now is 63.7 secs Computing kpt #: 218 total cpu time spent up to now is 64.0 secs Computing kpt #: 219 total cpu time spent up to now is 64.3 secs Computing kpt #: 220 total cpu time spent up to now is 64.6 secs Computing kpt #: 221 total cpu time spent up to now is 64.9 secs Computing kpt #: 222 total cpu time spent up to now is 65.2 secs Computing kpt #: 223 total cpu time spent up to now is 65.4 secs Computing kpt #: 224 total cpu time spent up to now is 65.7 secs Computing kpt #: 225 total cpu time spent up to now is 66.0 secs Computing kpt #: 226 total cpu time spent up to now is 66.3 secs Computing kpt #: 227 total cpu time spent up to now is 66.6 secs Computing kpt #: 228 total cpu time spent up to now is 66.8 secs Computing kpt #: 229 total cpu time spent up to now is 67.1 secs Computing kpt #: 230 total cpu time spent up to now is 67.4 secs Computing kpt #: 231 total cpu time spent up to now is 67.6 secs Computing kpt #: 232 total cpu time spent up to now is 67.9 secs Computing kpt #: 233 total cpu time spent up to now is 68.2 secs Computing kpt #: 234 total cpu time spent up to now is 68.5 secs Computing kpt #: 235 total cpu time spent up to now is 68.7 secs Computing kpt #: 236 total cpu time spent up to now is 69.0 secs Computing kpt #: 237 total cpu time spent up to now is 69.3 secs Computing kpt #: 238 total cpu time spent up to now is 69.5 secs Computing kpt #: 239 total cpu time spent up to now is 69.8 secs Computing kpt #: 240 total cpu time spent up to now is 70.1 secs Computing kpt #: 241 total cpu time spent up to now is 70.3 secs Computing kpt #: 242 total cpu time spent up to now is 70.6 secs Computing kpt #: 243 total cpu time spent up to now is 70.9 secs Computing kpt #: 244 total cpu time spent up to now is 71.2 secs Computing kpt #: 245 total cpu time spent up to now is 71.4 secs Computing kpt #: 246 total cpu time spent up to now is 71.7 secs Computing kpt #: 247 total cpu time spent up to now is 72.0 secs Computing kpt #: 248 total cpu time spent up to now is 72.2 secs Computing kpt #: 249 total cpu time spent up to now is 72.5 secs Computing kpt #: 250 total cpu time spent up to now is 72.8 secs Computing kpt #: 251 total cpu time spent up to now is 73.1 secs Computing kpt #: 252 total cpu time spent up to now is 73.4 secs Computing kpt #: 253 total cpu time spent up to now is 73.6 secs Computing kpt #: 254 total cpu time spent up to now is 73.9 secs Computing kpt #: 255 total cpu time spent up to now is 74.2 secs Computing kpt #: 256 total cpu time spent up to now is 74.5 secs Computing kpt #: 257 total cpu time spent up to now is 74.8 secs Computing kpt #: 258 total cpu time spent up to now is 75.0 secs Computing kpt #: 259 total cpu time spent up to now is 75.3 secs Computing kpt #: 260 total cpu time spent up to now is 75.6 secs Computing kpt #: 261 total cpu time spent up to now is 75.8 secs Computing kpt #: 262 total cpu time spent up to now is 76.1 secs Computing kpt #: 263 total cpu time spent up to now is 76.4 secs Computing kpt #: 264 total cpu time spent up to now is 76.7 secs Computing kpt #: 265 total cpu time spent up to now is 76.9 secs Computing kpt #: 266 total cpu time spent up to now is 77.2 secs Computing kpt #: 267 total cpu time spent up to now is 77.5 secs Computing kpt #: 268 total cpu time spent up to now is 77.8 secs Computing kpt #: 269 total cpu time spent up to now is 78.0 secs Computing kpt #: 270 total cpu time spent up to now is 78.4 secs Computing kpt #: 271 total cpu time spent up to now is 78.6 secs Computing kpt #: 272 total cpu time spent up to now is 78.9 secs Computing kpt #: 273 total cpu time spent up to now is 79.2 secs Computing kpt #: 274 total cpu time spent up to now is 79.5 secs Computing kpt #: 275 total cpu time spent up to now is 79.7 secs Computing kpt #: 276 total cpu time spent up to now is 80.0 secs Computing kpt #: 277 total cpu time spent up to now is 80.3 secs Computing kpt #: 278 total cpu time spent up to now is 80.6 secs Computing kpt #: 279 total cpu time spent up to now is 80.9 secs Computing kpt #: 280 total cpu time spent up to now is 81.2 secs Computing kpt #: 281 total cpu time spent up to now is 81.4 secs Computing kpt #: 282 total cpu time spent up to now is 81.7 secs Computing kpt #: 283 total cpu time spent up to now is 82.0 secs Computing kpt #: 284 total cpu time spent up to now is 82.4 secs Computing kpt #: 285 total cpu time spent up to now is 82.7 secs Computing kpt #: 286 total cpu time spent up to now is 83.0 secs Computing kpt #: 287 total cpu time spent up to now is 83.3 secs Computing kpt #: 288 total cpu time spent up to now is 83.6 secs Computing kpt #: 289 total cpu time spent up to now is 84.0 secs Computing kpt #: 290 total cpu time spent up to now is 84.3 secs Computing kpt #: 291 total cpu time spent up to now is 84.7 secs Computing kpt #: 292 total cpu time spent up to now is 85.0 secs Computing kpt #: 293 total cpu time spent up to now is 85.3 secs Computing kpt #: 294 total cpu time spent up to now is 85.7 secs Computing kpt #: 295 total cpu time spent up to now is 86.0 secs Computing kpt #: 296 total cpu time spent up to now is 86.4 secs Computing kpt #: 297 total cpu time spent up to now is 86.7 secs Computing kpt #: 298 total cpu time spent up to now is 87.1 secs Computing kpt #: 299 total cpu time spent up to now is 87.5 secs Computing kpt #: 300 total cpu time spent up to now is 87.8 secs Computing kpt #: 301 total cpu time spent up to now is 88.1 secs Computing kpt #: 302 total cpu time spent up to now is 88.4 secs Computing kpt #: 303 total cpu time spent up to now is 88.6 secs Computing kpt #: 304 total cpu time spent up to now is 88.9 secs Computing kpt #: 305 total cpu time spent up to now is 89.2 secs Computing kpt #: 306 total cpu time spent up to now is 89.4 secs Computing kpt #: 307 total cpu time spent up to now is 89.7 secs Computing kpt #: 308 total cpu time spent up to now is 89.9 secs Computing kpt #: 309 total cpu time spent up to now is 90.2 secs Computing kpt #: 310 total cpu time spent up to now is 90.4 secs Computing kpt #: 311 total cpu time spent up to now is 90.7 secs Computing kpt #: 312 total cpu time spent up to now is 90.9 secs Computing kpt #: 313 total cpu time spent up to now is 91.2 secs Computing kpt #: 314 total cpu time spent up to now is 91.4 secs Computing kpt #: 315 total cpu time spent up to now is 91.6 secs Computing kpt #: 316 total cpu time spent up to now is 91.9 secs Computing kpt #: 317 total cpu time spent up to now is 92.1 secs Computing kpt #: 318 total cpu time spent up to now is 92.4 secs Computing kpt #: 319 total cpu time spent up to now is 92.6 secs Computing kpt #: 320 total cpu time spent up to now is 92.9 secs Computing kpt #: 321 total cpu time spent up to now is 93.2 secs Computing kpt #: 322 total cpu time spent up to now is 93.5 secs Computing kpt #: 323 total cpu time spent up to now is 93.8 secs Computing kpt #: 324 total cpu time spent up to now is 94.1 secs Computing kpt #: 325 total cpu time spent up to now is 94.4 secs Computing kpt #: 326 total cpu time spent up to now is 94.7 secs Computing kpt #: 327 total cpu time spent up to now is 95.0 secs Computing kpt #: 328 total cpu time spent up to now is 95.3 secs Computing kpt #: 329 total cpu time spent up to now is 95.6 secs Computing kpt #: 330 total cpu time spent up to now is 95.9 secs Computing kpt #: 331 total cpu time spent up to now is 96.2 secs Computing kpt #: 332 total cpu time spent up to now is 96.5 secs Computing kpt #: 333 total cpu time spent up to now is 96.8 secs Computing kpt #: 334 total cpu time spent up to now is 97.1 secs Computing kpt #: 335 total cpu time spent up to now is 97.4 secs Computing kpt #: 336 total cpu time spent up to now is 97.7 secs Computing kpt #: 337 total cpu time spent up to now is 98.0 secs Computing kpt #: 338 total cpu time spent up to now is 98.3 secs Computing kpt #: 339 total cpu time spent up to now is 98.6 secs Computing kpt #: 340 total cpu time spent up to now is 98.9 secs Computing kpt #: 341 total cpu time spent up to now is 99.2 secs Computing kpt #: 342 total cpu time spent up to now is 99.5 secs Computing kpt #: 343 total cpu time spent up to now is 99.8 secs Computing kpt #: 344 total cpu time spent up to now is 100.1 secs Computing kpt #: 345 total cpu time spent up to now is 100.3 secs Computing kpt #: 346 total cpu time spent up to now is 100.6 secs Computing kpt #: 347 total cpu time spent up to now is 100.9 secs Computing kpt #: 348 total cpu time spent up to now is 101.2 secs Computing kpt #: 349 total cpu time spent up to now is 101.5 secs Computing kpt #: 350 total cpu time spent up to now is 101.8 secs Computing kpt #: 351 total cpu time spent up to now is 102.1 secs Computing kpt #: 352 total cpu time spent up to now is 102.4 secs Computing kpt #: 353 total cpu time spent up to now is 102.6 secs Computing kpt #: 354 total cpu time spent up to now is 102.9 secs Computing kpt #: 355 total cpu time spent up to now is 103.2 secs Computing kpt #: 356 total cpu time spent up to now is 103.5 secs Computing kpt #: 357 total cpu time spent up to now is 103.7 secs Computing kpt #: 358 total cpu time spent up to now is 104.0 secs Computing kpt #: 359 total cpu time spent up to now is 104.3 secs Computing kpt #: 360 total cpu time spent up to now is 104.6 secs Computing kpt #: 361 total cpu time spent up to now is 104.9 secs Computing kpt #: 362 total cpu time spent up to now is 105.1 secs Computing kpt #: 363 total cpu time spent up to now is 105.4 secs Computing kpt #: 364 total cpu time spent up to now is 105.7 secs Computing kpt #: 365 total cpu time spent up to now is 106.0 secs Computing kpt #: 366 total cpu time spent up to now is 106.3 secs Computing kpt #: 367 total cpu time spent up to now is 106.6 secs Computing kpt #: 368 total cpu time spent up to now is 106.9 secs Computing kpt #: 369 total cpu time spent up to now is 107.2 secs Computing kpt #: 370 total cpu time spent up to now is 107.5 secs Computing kpt #: 371 total cpu time spent up to now is 107.9 secs Computing kpt #: 372 total cpu time spent up to now is 108.2 secs Computing kpt #: 373 total cpu time spent up to now is 108.6 secs Computing kpt #: 374 total cpu time spent up to now is 108.9 secs Computing kpt #: 375 total cpu time spent up to now is 109.2 secs Computing kpt #: 376 total cpu time spent up to now is 109.5 secs Computing kpt #: 377 total cpu time spent up to now is 109.8 secs Computing kpt #: 378 total cpu time spent up to now is 110.1 secs Computing kpt #: 379 total cpu time spent up to now is 110.3 secs Computing kpt #: 380 total cpu time spent up to now is 110.6 secs Computing kpt #: 381 total cpu time spent up to now is 110.9 secs Computing kpt #: 382 total cpu time spent up to now is 111.2 secs Computing kpt #: 383 total cpu time spent up to now is 111.4 secs Computing kpt #: 384 total cpu time spent up to now is 111.7 secs Computing kpt #: 385 total cpu time spent up to now is 112.0 secs Computing kpt #: 386 total cpu time spent up to now is 112.2 secs Computing kpt #: 387 total cpu time spent up to now is 112.5 secs Computing kpt #: 388 total cpu time spent up to now is 112.8 secs ethr = 2.50E-08, avg # of iterations = 17.2 total cpu time spent up to now is 112.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -12.7280 -12.7280 -12.5920 -12.5920 -12.5716 -12.5716 -12.5281 -12.5281 -11.7521 -11.7521 -11.5807 -11.5807 -11.5557 -11.5557 -11.5272 -11.5272 -11.5069 -11.5069 -11.4718 -11.4718 -10.3819 -10.3819 -7.9209 -7.9209 2.0723 2.0723 2.9299 2.9299 3.4698 3.4698 3.5616 3.5616 6.2182 6.2182 6.4777 6.4777 6.5527 6.5527 9.4786 9.4786 11.5004 11.5004 13.7651 13.7651 14.0002 14.0002 14.2777 14.2777 k = 0.0000 0.0122-0.0000 ( 2715 PWs) bands (ev): -12.7279 -12.7279 -12.5920 -12.5920 -12.5716 -12.5716 -12.5282 -12.5282 -11.7522 -11.7522 -11.5807 -11.5807 -11.5557 -11.5557 -11.5273 -11.5273 -11.5068 -11.5068 -11.4720 -11.4720 -10.3807 -10.3807 -7.9216 -7.9216 2.0716 2.0716 2.9302 2.9302 3.4706 3.4706 3.5624 3.5624 6.2158 6.2158 6.4765 6.4765 6.5511 6.5511 9.4788 9.4788 11.5051 11.5051 13.7562 13.7562 14.0021 14.0021 14.2744 14.2744 k = 0.0000 0.0244-0.0000 ( 2716 PWs) bands (ev): -12.7279 -12.7279 -12.5919 -12.5919 -12.5715 -12.5715 -12.5284 -12.5284 -11.7524 -11.7524 -11.5806 -11.5806 -11.5557 -11.5557 -11.5276 -11.5276 -11.5068 -11.5068 -11.4726 -11.4726 -10.3770 -10.3770 -7.9237 -7.9237 2.0696 2.0696 2.9312 2.9312 3.4732 3.4732 3.5649 3.5649 6.2085 6.2085 6.4729 6.4729 6.5464 6.5464 9.4794 9.4794 11.5190 11.5190 13.7292 13.7292 14.0075 14.0075 14.2660 14.2660 k = 0.0000 0.0366-0.0000 ( 2722 PWs) bands (ev): -12.7278 -12.7278 -12.5918 -12.5918 -12.5714 -12.5714 -12.5288 -12.5288 -11.7528 -11.7528 -11.5804 -11.5804 -11.5557 -11.5557 -11.5282 -11.5282 -11.5068 -11.5068 -11.4735 -11.4735 -10.3709 -10.3709 -7.9271 -7.9271 2.0663 2.0663 2.9327 2.9327 3.4774 3.4774 3.5690 3.5690 6.1963 6.1963 6.4670 6.4670 6.5388 6.5388 9.4801 9.4801 11.5421 11.5421 13.6843 13.6843 14.0162 14.0162 14.2552 14.2552 k = 0.0000 0.0488-0.0000 ( 2730 PWs) bands (ev): -12.7277 -12.7277 -12.5916 -12.5916 -12.5713 -12.5713 -12.5293 -12.5293 -11.7533 -11.7533 -11.5801 -11.5801 -11.5556 -11.5556 -11.5290 -11.5290 -11.5067 -11.5067 -11.4748 -11.4748 -10.3624 -10.3624 -7.9320 -7.9320 2.0617 2.0617 2.9348 2.9348 3.4833 3.4833 3.5748 3.5748 6.1795 6.1795 6.4587 6.4587 6.5282 6.5282 9.4809 9.4809 11.5739 11.5739 13.6224 13.6224 14.0282 14.0282 14.2454 14.2454 k = 0.0000 0.0610-0.0000 ( 2726 PWs) bands (ev): -12.7276 -12.7276 -12.5914 -12.5914 -12.5711 -12.5711 -12.5299 -12.5299 -11.7539 -11.7539 -11.5799 -11.5799 -11.5556 -11.5556 -11.5300 -11.5300 -11.5066 -11.5066 -11.4764 -11.4764 -10.3516 -10.3516 -7.9383 -7.9383 2.0559 2.0559 2.9373 2.9373 3.4908 3.4908 3.5822 3.5822 6.1582 6.1582 6.4483 6.4483 6.5149 6.5149 9.4813 9.4813 11.6142 11.6142 13.5455 13.5455 14.0432 14.0432 14.2385 14.2385 k = 0.0000 0.0732-0.0000 ( 2722 PWs) bands (ev): -12.7274 -12.7274 -12.5912 -12.5912 -12.5709 -12.5709 -12.5307 -12.5307 -11.7546 -11.7546 -11.5795 -11.5795 -11.5556 -11.5556 -11.5313 -11.5313 -11.5065 -11.5065 -11.4782 -11.4782 -10.3385 -10.3385 -7.9459 -7.9459 2.0489 2.0489 2.9401 2.9401 3.5001 3.5001 3.5914 3.5914 6.1327 6.1327 6.4357 6.4357 6.4990 6.4990 9.4810 9.4810 11.6624 11.6624 13.4568 13.4568 14.0610 14.0610 14.2358 14.2358 k = 0.0000 0.0854-0.0000 ( 2732 PWs) bands (ev): -12.7272 -12.7272 -12.5910 -12.5910 -12.5706 -12.5706 -12.5316 -12.5316 -11.7553 -11.7553 -11.5792 -11.5792 -11.5558 -11.5558 -11.5327 -11.5327 -11.5063 -11.5063 -11.4800 -11.4800 -10.3232 -10.3232 -7.9550 -7.9550 2.0410 2.0410 2.9432 2.9432 3.5109 3.5109 3.6022 3.6022 6.1033 6.1033 6.4210 6.4210 6.4808 6.4808 9.4794 9.4794 11.7180 11.7180 13.3596 13.3596 14.0814 14.0814 14.2371 14.2371 k = 0.0000 0.0976-0.0000 ( 2732 PWs) bands (ev): -12.7269 -12.7269 -12.5907 -12.5907 -12.5703 -12.5703 -12.5326 -12.5326 -11.7562 -11.7562 -11.5789 -11.5789 -11.5560 -11.5560 -11.5343 -11.5343 -11.5062 -11.5062 -11.4820 -11.4820 -10.3057 -10.3057 -7.9654 -7.9654 2.0322 2.0322 2.9464 2.9464 3.5235 3.5235 3.6148 3.6148 6.0705 6.0705 6.4044 6.4044 6.4603 6.4603 9.4759 9.4759 11.7804 11.7804 13.2573 13.2573 14.1043 14.1043 14.2421 14.2421 k = 0.0000 0.1098-0.0000 ( 2724 PWs) bands (ev): -12.7265 -12.7265 -12.5905 -12.5905 -12.5700 -12.5700 -12.5338 -12.5338 -11.7571 -11.7571 -11.5786 -11.5786 -11.5564 -11.5564 -11.5360 -11.5360 -11.5061 -11.5061 -11.4839 -11.4839 -10.2862 -10.2862 -7.9773 -7.9773 2.0227 2.0227 2.9495 2.9495 3.5376 3.5376 3.6292 3.6292 6.0348 6.0348 6.3859 6.3859 6.4379 6.4379 9.4699 9.4699 11.8488 11.8488 13.1530 13.1530 14.1293 14.1293 14.2502 14.2502 k = 0.0000 0.1220-0.0000 ( 2728 PWs) bands (ev): -12.7261 -12.7261 -12.5903 -12.5903 -12.5697 -12.5697 -12.5351 -12.5351 -11.7579 -11.7579 -11.5784 -11.5784 -11.5570 -11.5570 -11.5376 -11.5376 -11.5060 -11.5060 -11.4857 -11.4857 -10.2646 -10.2646 -7.9905 -7.9905 2.0125 2.0125 2.9523 2.9523 3.5534 3.5534 3.6453 3.6453 5.9968 5.9968 6.3654 6.3654 6.4136 6.4136 9.4607 9.4607 11.9225 11.9225 13.0491 13.0491 14.1557 14.1557 14.2607 14.2607 k = 0.0000 0.1341-0.0000 ( 2724 PWs) bands (ev): -12.7257 -12.7257 -12.5901 -12.5901 -12.5693 -12.5693 -12.5365 -12.5365 -11.7588 -11.7588 -11.5784 -11.5784 -11.5580 -11.5580 -11.5391 -11.5391 -11.5058 -11.5058 -11.4875 -11.4875 -10.2412 -10.2412 -8.0052 -8.0052 2.0019 2.0019 2.9546 2.9546 3.5708 3.5708 3.6632 3.6632 5.9569 5.9569 6.3429 6.3429 6.3878 6.3878 9.4475 9.4475 12.0005 12.0005 12.9480 12.9480 14.1830 14.1830 14.2730 14.2730 k = 0.0000 0.1463-0.0000 ( 2726 PWs) bands (ev): -12.7251 -12.7251 -12.5900 -12.5900 -12.5689 -12.5689 -12.5380 -12.5380 -11.7596 -11.7596 -11.5787 -11.5787 -11.5593 -11.5593 -11.5404 -11.5404 -11.5057 -11.5057 -11.4890 -11.4890 -10.2159 -10.2159 -8.0213 -8.0213 1.9911 1.9911 2.9562 2.9562 3.5897 3.5897 3.6829 3.6829 5.9160 5.9160 6.3183 6.3183 6.3608 6.3608 9.4296 9.4296 12.0819 12.0819 12.8516 12.8516 14.2096 14.2096 14.2864 14.2864 k = 0.0000 0.1585-0.0000 ( 2726 PWs) bands (ev): -12.7245 -12.7245 -12.5900 -12.5900 -12.5684 -12.5684 -12.5396 -12.5396 -11.7604 -11.7604 -11.5795 -11.5795 -11.5608 -11.5608 -11.5413 -11.5413 -11.5056 -11.5056 -11.4904 -11.4904 -10.1889 -10.1889 -8.0387 -8.0387 1.9801 1.9801 2.9568 2.9568 3.6103 3.6103 3.7044 3.7044 5.8744 5.8744 6.2913 6.2913 6.3330 6.3330 9.4063 9.4063 12.1650 12.1650 12.7622 12.7622 14.2332 14.2332 14.3008 14.3008 k = 0.0000 0.1707-0.0000 ( 2728 PWs) bands (ev): -12.7238 -12.7238 -12.5900 -12.5900 -12.5679 -12.5679 -12.5413 -12.5413 -11.7611 -11.7611 -11.5809 -11.5809 -11.5622 -11.5622 -11.5419 -11.5419 -11.5055 -11.5055 -11.4915 -11.4915 -10.1603 -10.1603 -8.0576 -8.0576 1.9692 1.9692 2.9562 2.9562 3.6325 3.6325 3.7277 3.7277 5.8329 5.8329 6.2618 6.2618 6.3050 6.3050 9.3768 9.3768 12.2476 12.2476 12.6824 12.6824 14.2488 14.2488 14.3179 14.3179 k = 0.0000 0.1829-0.0000 ( 2728 PWs) bands (ev): -12.7230 -12.7230 -12.5902 -12.5902 -12.5675 -12.5675 -12.5431 -12.5431 -11.7616 -11.7616 -11.5832 -11.5832 -11.5633 -11.5633 -11.5422 -11.5422 -11.5054 -11.5054 -11.4925 -11.4925 -10.1300 -10.1300 -8.0779 -8.0779 1.9585 1.9585 2.9541 2.9541 3.6562 3.6562 3.7527 3.7527 5.7919 5.7919 6.2295 6.2295 6.2773 6.2773 9.3407 9.3407 12.3243 12.3243 12.6176 12.6176 14.2517 14.2517 14.3402 14.3402 k = 0.0000 0.1951-0.0000 ( 2732 PWs) bands (ev): -12.7222 -12.7222 -12.5905 -12.5905 -12.5670 -12.5670 -12.5449 -12.5449 -11.7621 -11.7621 -11.5863 -11.5863 -11.5640 -11.5640 -11.5423 -11.5423 -11.5053 -11.5053 -11.4933 -11.4933 -10.0983 -10.0983 -8.0995 -8.0995 1.9483 1.9483 2.9503 2.9503 3.6814 3.6814 3.7796 3.7796 5.7519 5.7519 6.1946 6.1946 6.2500 6.2500 9.2974 9.2974 12.3796 12.3796 12.5828 12.5828 14.2418 14.2418 14.3673 14.3673 k = 0.0000 0.2073-0.0000 ( 2728 PWs) bands (ev): -12.7212 -12.7212 -12.5909 -12.5909 -12.5665 -12.5665 -12.5468 -12.5468 -11.7624 -11.7624 -11.5901 -11.5901 -11.5643 -11.5643 -11.5423 -11.5423 -11.5052 -11.5052 -11.4940 -11.4940 -10.0651 -10.0651 -8.1226 -8.1226 1.9387 1.9387 2.9444 2.9444 3.7083 3.7083 3.8081 3.8081 5.7133 5.7133 6.1571 6.1571 6.2235 6.2235 9.2467 9.2467 12.3873 12.3873 12.6034 12.6034 14.2230 14.2230 14.3972 14.3972 k = 0.0000 0.2195-0.0000 ( 2724 PWs) bands (ev): -12.7201 -12.7201 -12.5915 -12.5915 -12.5660 -12.5660 -12.5486 -12.5486 -11.7625 -11.7625 -11.5945 -11.5945 -11.5643 -11.5643 -11.5422 -11.5422 -11.5051 -11.5051 -11.4945 -11.4945 -10.0306 -10.0306 -8.1470 -8.1470 1.9299 1.9299 2.9363 2.9363 3.7366 3.7366 3.8384 3.8384 5.6762 5.6762 6.1175 6.1175 6.1979 6.1979 9.1885 9.1885 12.3605 12.3605 12.6650 12.6650 14.2000 14.2000 14.4291 14.4291 k = 0.0000 0.2317-0.0000 ( 2730 PWs) bands (ev): -12.7189 -12.7189 -12.5924 -12.5924 -12.5655 -12.5655 -12.5504 -12.5504 -11.7624 -11.7624 -11.5993 -11.5993 -11.5641 -11.5641 -11.5420 -11.5420 -11.5049 -11.5049 -11.4949 -11.4949 -9.9948 -9.9948 -8.1728 -8.1728 1.9221 1.9221 2.9258 2.9258 3.7665 3.7665 3.8703 3.8703 5.6407 5.6407 6.0759 6.0759 6.1736 6.1736 9.1229 9.1229 12.3274 12.3274 12.7379 12.7379 14.1770 14.1770 14.4625 14.4625 k = 0.0000 0.2439-0.0000 ( 2732 PWs) bands (ev): -12.7176 -12.7176 -12.5934 -12.5934 -12.5650 -12.5650 -12.5521 -12.5521 -11.7622 -11.7622 -11.6044 -11.6044 -11.5636 -11.5636 -11.5418 -11.5418 -11.5048 -11.5048 -11.4952 -11.4952 -9.9578 -9.9578 -8.1999 -8.1999 1.9154 1.9154 2.9126 2.9126 3.7979 3.7979 3.9039 3.9039 5.6070 5.6070 6.0324 6.0324 6.1511 6.1511 9.0503 9.0503 12.2977 12.2977 12.8100 12.8100 14.1579 14.1579 14.4972 14.4972 k = 0.0000 0.2561-0.0000 ( 2736 PWs) bands (ev): -12.7162 -12.7162 -12.5947 -12.5947 -12.5646 -12.5646 -12.5537 -12.5537 -11.7617 -11.7617 -11.6097 -11.6097 -11.5631 -11.5631 -11.5417 -11.5417 -11.5047 -11.5047 -11.4954 -11.4954 -9.9196 -9.9196 -8.2284 -8.2284 1.9100 1.9100 2.8967 2.8967 3.8308 3.8308 3.9391 3.9391 5.5746 5.5746 5.9873 5.9873 6.1311 6.1311 8.9710 8.9710 12.2740 12.2740 12.8763 12.8763 14.1458 14.1458 14.5332 14.5332 k = 0.0000 0.2683-0.0000 ( 2740 PWs) bands (ev): -12.7146 -12.7146 -12.5963 -12.5963 -12.5641 -12.5641 -12.5552 -12.5552 -11.7610 -11.7610 -11.6151 -11.6151 -11.5625 -11.5625 -11.5415 -11.5415 -11.5045 -11.5045 -11.4956 -11.4956 -9.8804 -9.8804 -8.2582 -8.2582 1.9060 1.9060 2.8779 2.8779 3.8651 3.8651 3.9758 3.9758 5.5433 5.5433 5.9407 5.9407 6.1142 6.1142 8.8855 8.8855 12.2568 12.2568 12.9334 12.9334 14.1435 14.1435 14.5705 14.5705 k = 0.0000 0.2805-0.0000 ( 2738 PWs) bands (ev): -12.7129 -12.7129 -12.5982 -12.5982 -12.5637 -12.5637 -12.5566 -12.5566 -11.7601 -11.7601 -11.6205 -11.6205 -11.5619 -11.5619 -11.5414 -11.5414 -11.5043 -11.5043 -11.4957 -11.4957 -9.8402 -9.8402 -8.2893 -8.2893 1.9037 1.9037 2.8564 2.8564 3.9009 3.9009 4.0141 4.0141 5.5126 5.5126 5.8927 5.8927 6.1012 6.1012 8.7947 8.7947 12.2460 12.2460 12.9791 12.9791 14.1532 14.1532 14.6092 14.6092 k = 0.0000 0.2927-0.0000 ( 2734 PWs) bands (ev): -12.7111 -12.7111 -12.6004 -12.6004 -12.5633 -12.5633 -12.5577 -12.5577 -11.7590 -11.7590 -11.6260 -11.6260 -11.5612 -11.5612 -11.5413 -11.5413 -11.5041 -11.5041 -11.4957 -11.4957 -9.7991 -9.7991 -8.3216 -8.3216 1.9030 1.9030 2.8320 2.8320 3.9380 3.9380 4.0539 4.0539 5.4819 5.4819 5.8434 5.8434 6.0931 6.0931 8.6990 8.6990 12.2412 12.2412 13.0120 13.0120 14.1761 14.1761 14.6491 14.6491 k = 0.0000 0.3049-0.0000 ( 2734 PWs) bands (ev): -12.7092 -12.7092 -12.6029 -12.6029 -12.5630 -12.5630 -12.5587 -12.5587 -11.7577 -11.7577 -11.6315 -11.6315 -11.5604 -11.5604 -11.5413 -11.5413 -11.5038 -11.5038 -11.4958 -11.4958 -9.7571 -9.7571 -8.3551 -8.3551 1.9041 1.9041 2.8050 2.8050 3.9765 3.9765 4.0951 4.0951 5.4505 5.4505 5.7930 5.7930 6.0905 6.0905 8.5994 8.5994 12.2419 12.2419 13.0317 13.0317 14.2121 14.2121 14.6904 14.6904 k = 0.0000 0.3171-0.0000 ( 2726 PWs) bands (ev): -12.7072 -12.7072 -12.6056 -12.6056 -12.5627 -12.5627 -12.5596 -12.5596 -11.7562 -11.7562 -11.6370 -11.6370 -11.5596 -11.5596 -11.5413 -11.5413 -11.5036 -11.5036 -11.4958 -11.4958 -9.7143 -9.7143 -8.3899 -8.3899 1.9071 1.9071 2.7754 2.7754 4.0164 4.0164 4.1377 4.1377 5.4179 5.4179 5.7414 5.7414 6.0941 6.0941 8.4963 8.4963 12.2473 12.2473 13.0390 13.0390 14.2603 14.2603 14.7330 14.7330 k = 0.0000 0.3293-0.0000 ( 2724 PWs) bands (ev): -12.7050 -12.7050 -12.6086 -12.6086 -12.5624 -12.5624 -12.5602 -12.5602 -11.7544 -11.7544 -11.6425 -11.6425 -11.5589 -11.5589 -11.5414 -11.5414 -11.5033 -11.5033 -11.4958 -11.4958 -9.6708 -9.6708 -8.4257 -8.4257 1.9122 1.9122 2.7435 2.7435 4.0575 4.0575 4.1817 4.1817 5.3837 5.3837 5.6889 5.6889 6.1046 6.1046 8.3907 8.3907 12.2569 12.2569 13.0356 13.0356 14.3184 14.3184 14.7770 14.7770 k = 0.0000 0.3415-0.0000 ( 2722 PWs) bands (ev): -12.7027 -12.7027 -12.6118 -12.6118 -12.5622 -12.5622 -12.5608 -12.5608 -11.7524 -11.7524 -11.6478 -11.6478 -11.5581 -11.5581 -11.5415 -11.5415 -11.5029 -11.5029 -11.4958 -11.4958 -9.6266 -9.6266 -8.4628 -8.4628 1.9193 1.9193 2.7095 2.7095 4.0998 4.0998 4.2269 4.2269 5.3475 5.3475 5.6356 5.6356 6.1221 6.1221 8.2829 8.2829 12.2703 12.2703 13.0234 13.0234 14.3841 14.3841 14.8223 14.8223 k = 0.0000 0.3537-0.0000 ( 2722 PWs) bands (ev): -12.7003 -12.7003 -12.6152 -12.6152 -12.5620 -12.5620 -12.5611 -12.5611 -11.7503 -11.7503 -11.6532 -11.6532 -11.5572 -11.5572 -11.5417 -11.5417 -11.5026 -11.5026 -11.4959 -11.4959 -9.5818 -9.5818 -8.5008 -8.5008 1.9285 1.9285 2.6737 2.6737 4.1434 4.1434 4.2733 4.2733 5.3092 5.3092 5.5814 5.5814 6.1468 6.1468 8.1738 8.1738 12.2868 12.2868 13.0044 13.0044 14.4548 14.4548 14.8689 14.8689 k = 0.0000 0.3659-0.0000 ( 2726 PWs) bands (ev): -12.6977 -12.6977 -12.6188 -12.6188 -12.5620 -12.5620 -12.5614 -12.5614 -11.7479 -11.7479 -11.6585 -11.6585 -11.5564 -11.5564 -11.5420 -11.5420 -11.5022 -11.5022 -11.4959 -11.4959 -9.5365 -9.5365 -8.5399 -8.5399 1.9400 1.9400 2.6363 2.6363 4.1880 4.1880 4.3209 4.3209 5.2687 5.2687 5.5265 5.5265 6.1787 6.1787 8.0638 8.0638 12.3060 12.3060 12.9803 12.9803 14.5283 14.5283 14.9169 14.9169 k = 0.0000 0.3780-0.0000 ( 2726 PWs) bands (ev): -12.6950 -12.6950 -12.6225 -12.6225 -12.5620 -12.5620 -12.5614 -12.5614 -11.7453 -11.7453 -11.6636 -11.6636 -11.5556 -11.5556 -11.5423 -11.5423 -11.5019 -11.5019 -11.4959 -11.4959 -9.4906 -9.4906 -8.5800 -8.5800 1.9536 1.9536 2.5977 2.5977 4.2337 4.2337 4.3696 4.3696 5.2262 5.2262 5.4711 5.4711 6.2175 6.2175 7.9534 7.9534 12.3275 12.3275 12.9525 12.9525 14.6024 14.6024 14.9661 14.9661 k = 0.0000 0.3902-0.0000 ( 2724 PWs) bands (ev): -12.6922 -12.6922 -12.6263 -12.6263 -12.5621 -12.5621 -12.5614 -12.5614 -11.7425 -11.7425 -11.6688 -11.6688 -11.5547 -11.5547 -11.5426 -11.5426 -11.5015 -11.5015 -11.4960 -11.4960 -9.4444 -9.4444 -8.6210 -8.6210 1.9695 1.9695 2.5582 2.5582 4.2805 4.2805 4.4194 4.4194 5.1818 5.1818 5.4151 5.4151 6.2630 6.2630 7.8431 7.8431 12.3511 12.3511 12.9221 12.9221 14.6753 14.6753 15.0163 15.0163 k = 0.0000 0.4024-0.0000 ( 2724 PWs) bands (ev): -12.6892 -12.6892 -12.6301 -12.6301 -12.5621 -12.5621 -12.5613 -12.5613 -11.7396 -11.7396 -11.6738 -11.6738 -11.5539 -11.5539 -11.5430 -11.5430 -11.5011 -11.5011 -11.4961 -11.4961 -9.3979 -9.3979 -8.6628 -8.6628 1.9876 1.9876 2.5180 2.5180 4.3281 4.3281 4.4701 4.4701 5.1357 5.1357 5.3588 5.3588 6.3148 6.3148 7.7333 7.7333 12.3763 12.3763 12.8898 12.8898 14.7457 14.7457 15.0667 15.0667 k = 0.0000 0.4146-0.0000 ( 2728 PWs) bands (ev): -12.6862 -12.6862 -12.6341 -12.6341 -12.5621 -12.5621 -12.5613 -12.5613 -11.7365 -11.7365 -11.6787 -11.6787 -11.5531 -11.5531 -11.5434 -11.5434 -11.5007 -11.5007 -11.4963 -11.4963 -9.3510 -9.3510 -8.7055 -8.7055 2.0079 2.0079 2.4775 2.4775 4.3766 4.3766 4.5218 4.5218 5.0882 5.0882 5.3021 5.3021 6.3726 6.3726 7.6244 7.6244 12.4030 12.4030 12.8564 12.8564 14.8124 14.8124 15.1157 15.1157 k = 0.0000 0.4268-0.0000 ( 2726 PWs) bands (ev): -12.6830 -12.6830 -12.6381 -12.6381 -12.5621 -12.5621 -12.5613 -12.5613 -11.7332 -11.7332 -11.6836 -11.6836 -11.5522 -11.5522 -11.5439 -11.5439 -11.5003 -11.5003 -11.4964 -11.4964 -9.3040 -9.3040 -8.7489 -8.7489 2.0304 2.0304 2.4370 2.4370 4.4259 4.4259 4.5743 4.5743 5.0395 5.0395 5.2452 5.2452 6.4360 6.4360 7.5167 7.5167 12.4310 12.4310 12.8223 12.8223 14.8748 14.8748 15.1602 15.1602 k = 0.0000 0.4390-0.0000 ( 2726 PWs) bands (ev): -12.6797 -12.6797 -12.6421 -12.6421 -12.5621 -12.5621 -12.5613 -12.5613 -11.7298 -11.7298 -11.6883 -11.6883 -11.5514 -11.5514 -11.5444 -11.5444 -11.4999 -11.4999 -11.4966 -11.4966 -9.2568 -9.2568 -8.7930 -8.7930 2.0550 2.0550 2.3968 2.3968 4.4758 4.4758 4.6276 4.6276 4.9898 4.9898 5.1882 5.1882 6.5047 6.5047 7.4107 7.4107 12.4600 12.4600 12.7879 12.7879 14.9325 14.9325 15.1946 15.1946 k = 0.0000 0.4512-0.0000 ( 2730 PWs) bands (ev): -12.6763 -12.6763 -12.6460 -12.6460 -12.5620 -12.5620 -12.5614 -12.5614 -11.7262 -11.7262 -11.6930 -11.6930 -11.5506 -11.5506 -11.5450 -11.5450 -11.4995 -11.4995 -11.4968 -11.4968 -9.2096 -9.2096 -8.8377 -8.8377 2.0817 2.0817 2.3570 2.3570 4.5264 4.5264 4.6816 4.6816 4.9393 4.9393 5.1310 5.1310 6.5783 6.5783 7.3066 7.3066 12.4900 12.4900 12.7533 12.7533 14.9854 14.9854 15.2124 15.2124 k = 0.0000 0.4634-0.0000 ( 2730 PWs) bands (ev): -12.6728 -12.6728 -12.6500 -12.6500 -12.5619 -12.5619 -12.5614 -12.5614 -11.7225 -11.7225 -11.6975 -11.6975 -11.5498 -11.5498 -11.5456 -11.5456 -11.4991 -11.4991 -11.4971 -11.4971 -9.1624 -9.1624 -8.8830 -8.8830 2.1104 2.1104 2.3180 2.3180 4.5775 4.5775 4.7363 4.7363 4.8882 4.8882 5.0740 5.0740 6.6565 6.6565 7.2048 7.2048 12.5209 12.5209 12.7189 12.7189 15.0336 15.0336 15.2127 15.2127 k = 0.0000 0.4756-0.0000 ( 2730 PWs) bands (ev): -12.6692 -12.6692 -12.6540 -12.6540 -12.5618 -12.5618 -12.5615 -12.5615 -11.7186 -11.7186 -11.7020 -11.7020 -11.5491 -11.5491 -11.5462 -11.5462 -11.4987 -11.4987 -11.4974 -11.4974 -9.1152 -9.1152 -8.9287 -8.9287 2.1410 2.1410 2.2799 2.2799 4.6289 4.6289 4.7912 4.7912 4.8369 4.8369 5.0170 5.0170 6.7390 6.7390 7.1054 7.1054 12.5524 12.5524 12.6847 12.6847 15.0771 15.0771 15.2000 15.2000 k = 0.0000 0.4878-0.0000 ( 2724 PWs) bands (ev): -12.6655 -12.6655 -12.6579 -12.6579 -12.5618 -12.5618 -12.5616 -12.5616 -11.7146 -11.7146 -11.7063 -11.7063 -11.5483 -11.5483 -11.5469 -11.5469 -11.4983 -11.4983 -11.4977 -11.4977 -9.0682 -9.0682 -8.9749 -8.9749 2.1734 2.1734 2.2430 2.2430 4.6807 4.6807 4.7843 4.7843 4.8477 4.8477 4.9602 4.9602 6.8254 6.8254 7.0089 7.0089 12.5847 12.5847 12.6509 12.6509 15.1159 15.1159 15.1782 15.1782 k = 0.0000 0.5000-0.0000 ( 2724 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5617 -12.5617 -12.5617 -12.5617 -11.7105 -11.7105 -11.7105 -11.7105 -11.5476 -11.5476 -11.5476 -11.5476 -11.4980 -11.4980 -11.4980 -11.4980 -9.0214 -9.0214 -9.0214 -9.0214 2.2074 2.2074 2.2074 2.2074 4.7326 4.7326 4.7326 4.7326 4.9037 4.9037 4.9037 4.9037 6.9154 6.9154 6.9154 6.9154 12.6175 12.6175 12.6175 12.6175 15.1498 15.1498 15.1498 15.1498 k = 0.0000 0.5000-0.0000 ( 2724 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5617 -12.5617 -12.5617 -12.5617 -11.7105 -11.7105 -11.7105 -11.7105 -11.5476 -11.5476 -11.5476 -11.5476 -11.4980 -11.4980 -11.4980 -11.4980 -9.0214 -9.0214 -9.0214 -9.0214 2.2074 2.2074 2.2074 2.2074 4.7326 4.7326 4.7326 4.7326 4.9037 4.9037 4.9037 4.9037 6.9154 6.9154 6.9154 6.9154 12.6175 12.6175 12.6175 12.6175 15.1498 15.1498 15.1498 15.1498 k = 0.0122 0.5000-0.0000 ( 2722 PWs) bands (ev): -12.6646 -12.6646 -12.6588 -12.6588 -12.5623 -12.5623 -12.5610 -12.5610 -11.7148 -11.7148 -11.7063 -11.7063 -11.5483 -11.5483 -11.5470 -11.5470 -11.4981 -11.4981 -11.4978 -11.4978 -9.0221 -9.0221 -9.0200 -9.0200 2.2040 2.2040 2.2050 2.2050 4.7203 4.7203 4.7266 4.7266 4.9150 4.9150 4.9172 4.9172 6.9156 6.9156 6.9170 6.9170 12.6127 12.6127 12.6170 12.6170 15.0876 15.0876 15.2065 15.2065 k = 0.0244 0.5000-0.0000 ( 2726 PWs) bands (ev): -12.6675 -12.6675 -12.6560 -12.6560 -12.5629 -12.5629 -12.5604 -12.5604 -11.7191 -11.7191 -11.7022 -11.7022 -11.5489 -11.5489 -11.5463 -11.5463 -11.4982 -11.4982 -11.4974 -11.4974 -9.0222 -9.0222 -9.0180 -9.0180 2.1947 2.1947 2.1967 2.1967 4.6963 4.6963 4.7070 4.7070 4.9464 4.9464 4.9488 4.9488 6.9176 6.9176 6.9202 6.9202 12.6026 12.6026 12.6109 12.6109 15.0221 15.0221 15.2522 15.2522 k = 0.0366 0.5000-0.0000 ( 2734 PWs) bands (ev): -12.6703 -12.6703 -12.6533 -12.6533 -12.5636 -12.5636 -12.5597 -12.5597 -11.7233 -11.7233 -11.6981 -11.6981 -11.5495 -11.5495 -11.5458 -11.5458 -11.4981 -11.4981 -11.4970 -11.4970 -9.0217 -9.0217 -9.0154 -9.0154 2.1796 2.1796 2.1827 2.1827 4.6684 4.6684 4.6819 4.6819 4.9896 4.9896 4.9907 4.9907 6.9212 6.9212 6.9251 6.9251 12.5872 12.5872 12.5992 12.5992 14.9545 14.9545 15.2714 15.2714 k = 0.0488 0.5000-0.0000 ( 2730 PWs) bands (ev): -12.6732 -12.6732 -12.6506 -12.6506 -12.5641 -12.5641 -12.5591 -12.5591 -11.7275 -11.7275 -11.6942 -11.6942 -11.5501 -11.5501 -11.5452 -11.5452 -11.4980 -11.4980 -11.4964 -11.4964 -9.0205 -9.0205 -9.0122 -9.0122 2.1591 2.1591 2.1631 2.1631 4.6405 4.6405 4.6561 4.6561 5.0389 5.0389 5.0398 5.0398 6.9266 6.9266 6.9317 6.9317 12.5664 12.5664 12.5815 12.5815 14.8859 14.8859 15.2482 15.2482 k = 0.0610 0.5000-0.0000 ( 2738 PWs) bands (ev): -12.6760 -12.6760 -12.6480 -12.6480 -12.5647 -12.5647 -12.5585 -12.5585 -11.7316 -11.7316 -11.6905 -11.6905 -11.5507 -11.5507 -11.5447 -11.5447 -11.4977 -11.4977 -11.4958 -11.4958 -9.0187 -9.0187 -9.0084 -9.0084 2.1332 2.1332 2.1383 2.1383 4.6143 4.6143 4.6314 4.6314 5.0915 5.0915 5.0947 5.0947 6.9336 6.9336 6.9398 6.9398 12.5400 12.5400 12.5576 12.5576 14.8174 14.8174 15.1981 15.1981 k = 0.0732 0.5000-0.0000 ( 2734 PWs) bands (ev): -12.6787 -12.6787 -12.6456 -12.6456 -12.5652 -12.5652 -12.5579 -12.5579 -11.7356 -11.7356 -11.6871 -11.6871 -11.5512 -11.5512 -11.5443 -11.5443 -11.4973 -11.4973 -11.4951 -11.4951 -9.0163 -9.0163 -9.0041 -9.0041 2.1024 2.1024 2.1086 2.1086 4.5904 4.5904 4.6088 4.6088 5.1475 5.1475 5.1531 5.1531 6.9422 6.9422 6.9495 6.9495 12.5078 12.5078 12.5270 12.5270 14.7498 14.7498 15.1378 15.1378 k = 0.0854 0.5000-0.0000 ( 2738 PWs) bands (ev): -12.6813 -12.6813 -12.6434 -12.6434 -12.5656 -12.5656 -12.5573 -12.5573 -11.7394 -11.7394 -11.6838 -11.6838 -11.5516 -11.5516 -11.5439 -11.5439 -11.4969 -11.4969 -11.4943 -11.4943 -9.0133 -9.0133 -8.9992 -8.9992 2.0671 2.0671 2.0742 2.0742 4.5692 4.5692 4.5886 4.5886 5.2062 5.2062 5.2145 5.2145 6.9524 6.9524 6.9607 6.9607 12.4697 12.4697 12.4894 12.4894 14.6842 14.6842 15.0737 15.0737 k = 0.0976 0.5000-0.0000 ( 2738 PWs) bands (ev): -12.6839 -12.6839 -12.6414 -12.6414 -12.5659 -12.5659 -12.5567 -12.5567 -11.7431 -11.7431 -11.6809 -11.6809 -11.5519 -11.5519 -11.5435 -11.5435 -11.4963 -11.4963 -11.4934 -11.4934 -9.0096 -9.0096 -8.9938 -8.9938 2.0275 2.0275 2.0357 2.0357 4.5507 4.5507 4.5710 4.5710 5.2674 5.2674 5.2782 5.2782 6.9641 6.9641 6.9732 6.9732 12.4254 12.4254 12.4445 12.4445 14.6213 14.6213 15.0085 15.0085 k = 0.1098 0.5000-0.0000 ( 2738 PWs) bands (ev): -12.6863 -12.6863 -12.6396 -12.6396 -12.5661 -12.5661 -12.5562 -12.5562 -11.7466 -11.7466 -11.6783 -11.6783 -11.5521 -11.5521 -11.5432 -11.5432 -11.4957 -11.4957 -11.4925 -11.4925 -9.0054 -9.0054 -8.9880 -8.9880 1.9843 1.9843 1.9934 1.9934 4.5350 4.5350 4.5559 4.5559 5.3305 5.3305 5.3440 5.3440 6.9771 6.9771 6.9870 6.9870 12.3749 12.3749 12.3922 12.3922 14.5620 14.5620 14.9437 14.9437 k = 0.1220 0.5000-0.0000 ( 2736 PWs) bands (ev): -12.6887 -12.6887 -12.6381 -12.6381 -12.5662 -12.5662 -12.5557 -12.5557 -11.7498 -11.7498 -11.6760 -11.6760 -11.5521 -11.5521 -11.5429 -11.5429 -11.4949 -11.4949 -11.4915 -11.4915 -9.0006 -9.0006 -8.9817 -8.9817 1.9377 1.9377 1.9478 1.9478 4.5219 4.5219 4.5433 4.5433 5.3955 5.3955 5.4116 5.4116 6.9915 6.9915 7.0020 7.0020 12.3180 12.3180 12.3323 12.3323 14.5068 14.5068 14.8805 14.8805 k = 0.1341 0.5000-0.0000 ( 2736 PWs) bands (ev): -12.6909 -12.6909 -12.6369 -12.6369 -12.5661 -12.5661 -12.5552 -12.5552 -11.7529 -11.7529 -11.6740 -11.6740 -11.5521 -11.5521 -11.5427 -11.5427 -11.4941 -11.4941 -11.4905 -11.4905 -8.9953 -8.9953 -8.9749 -8.9749 1.8883 1.8883 1.8993 1.8993 4.5113 4.5113 4.5331 4.5331 5.4620 5.4620 5.4806 5.4806 7.0070 7.0070 7.0180 7.0180 12.2546 12.2546 12.2650 12.2650 14.4561 14.4561 14.8195 14.8195 k = 0.1463 0.5000-0.0000 ( 2736 PWs) bands (ev): -12.6931 -12.6931 -12.6359 -12.6359 -12.5660 -12.5660 -12.5547 -12.5547 -11.7556 -11.7556 -11.6725 -11.6725 -11.5519 -11.5519 -11.5425 -11.5425 -11.4932 -11.4932 -11.4894 -11.4894 -8.9895 -8.9895 -8.9678 -8.9678 1.8365 1.8365 1.8484 1.8484 4.5030 4.5030 4.5251 4.5251 5.5298 5.5298 5.5509 5.5509 7.0237 7.0237 7.0350 7.0350 12.1850 12.1850 12.1903 12.1903 14.4101 14.4101 14.7613 14.7613 k = 0.1585 0.5000-0.0000 ( 2746 PWs) bands (ev): -12.6951 -12.6951 -12.6353 -12.6353 -12.5656 -12.5656 -12.5542 -12.5542 -11.7581 -11.7581 -11.6713 -11.6713 -11.5515 -11.5515 -11.5423 -11.5423 -11.4922 -11.4922 -11.4883 -11.4883 -8.9832 -8.9832 -8.9604 -8.9604 1.7828 1.7828 1.7954 1.7954 4.4969 4.4969 4.5191 4.5191 5.5989 5.5989 5.6223 5.6223 7.0414 7.0414 7.0529 7.0529 12.1088 12.1088 12.1093 12.1093 14.3688 14.3688 14.7063 14.7063 k = 0.1707 0.5000-0.0000 ( 2752 PWs) bands (ev): -12.6969 -12.6969 -12.6351 -12.6351 -12.5651 -12.5651 -12.5538 -12.5538 -11.7604 -11.7604 -11.6704 -11.6704 -11.5511 -11.5511 -11.5422 -11.5422 -11.4911 -11.4911 -11.4872 -11.4872 -8.9765 -8.9765 -8.9527 -8.9527 1.7276 1.7276 1.7409 1.7409 4.4929 4.4929 4.5151 4.5151 5.6689 5.6689 5.6946 5.6946 7.0600 7.0600 7.0714 7.0714 12.0209 12.0209 12.0277 12.0277 14.3319 14.3319 14.6545 14.6545 k = 0.1829 0.5000-0.0000 ( 2760 PWs) bands (ev): -12.6987 -12.6987 -12.6351 -12.6351 -12.5645 -12.5645 -12.5534 -12.5534 -11.7623 -11.7623 -11.6700 -11.6700 -11.5505 -11.5505 -11.5421 -11.5421 -11.4899 -11.4899 -11.4860 -11.4860 -8.9694 -8.9694 -8.9447 -8.9447 1.6712 1.6712 1.6851 1.6851 4.4906 4.4906 4.5127 4.5127 5.7399 5.7399 5.7677 5.7677 7.0793 7.0793 7.0906 7.0906 11.9272 11.9272 11.9407 11.9407 14.2993 14.2993 14.6061 14.6061 k = 0.1951 0.5000-0.0000 ( 2764 PWs) bands (ev): -12.7002 -12.7002 -12.6355 -12.6355 -12.5638 -12.5638 -12.5530 -12.5530 -11.7639 -11.7639 -11.6699 -11.6699 -11.5498 -11.5498 -11.5419 -11.5419 -11.4887 -11.4887 -11.4849 -11.4849 -8.9619 -8.9619 -8.9365 -8.9365 1.6141 1.6141 1.6285 1.6285 4.4900 4.4900 4.5120 4.5120 5.8116 5.8116 5.8413 5.8413 7.0993 7.0993 7.1102 7.1102 11.8284 11.8284 11.8487 11.8487 14.2704 14.2704 14.5609 14.5609 k = 0.2073 0.5000-0.0000 ( 2760 PWs) bands (ev): -12.7017 -12.7017 -12.6361 -12.6361 -12.5630 -12.5630 -12.5526 -12.5526 -11.7652 -11.7652 -11.6701 -11.6701 -11.5491 -11.5491 -11.5418 -11.5418 -11.4875 -11.4875 -11.4837 -11.4837 -8.9541 -8.9541 -8.9281 -8.9281 1.5566 1.5566 1.5715 1.5715 4.4908 4.4908 4.5126 4.5126 5.8840 5.8840 5.9154 5.9154 7.1199 7.1199 7.1302 7.1302 11.7252 11.7252 11.7522 11.7522 14.2448 14.2448 14.5186 14.5186 k = 0.2195 0.5000-0.0000 ( 2762 PWs) bands (ev): -12.7030 -12.7030 -12.6371 -12.6371 -12.5621 -12.5621 -12.5522 -12.5522 -11.7663 -11.7663 -11.6706 -11.6706 -11.5483 -11.5483 -11.5417 -11.5417 -11.4861 -11.4861 -11.4826 -11.4826 -8.9460 -8.9460 -8.9196 -8.9196 1.4991 1.4991 1.5143 1.5143 4.4930 4.4930 4.5145 4.5145 5.9569 5.9569 5.9898 5.9898 7.1409 7.1409 7.1504 7.1504 11.6184 11.6184 11.6518 11.6518 14.2221 14.2221 14.4792 14.4792 k = 0.2317 0.5000-0.0000 ( 2758 PWs) bands (ev): -12.7041 -12.7041 -12.6383 -12.6383 -12.5611 -12.5611 -12.5518 -12.5518 -11.7670 -11.7670 -11.6715 -11.6715 -11.5474 -11.5474 -11.5416 -11.5416 -11.4848 -11.4848 -11.4814 -11.4814 -8.9377 -8.9377 -8.9111 -8.9111 1.4419 1.4419 1.4574 1.4574 4.4964 4.4964 4.5175 4.5175 6.0302 6.0302 6.0645 6.0645 7.1624 7.1624 7.1709 7.1709 11.5086 11.5086 11.5481 11.5481 14.2017 14.2017 14.4423 14.4423 k = 0.2439 0.5000-0.0000 ( 2758 PWs) bands (ev): -12.7051 -12.7051 -12.6398 -12.6398 -12.5601 -12.5601 -12.5515 -12.5515 -11.7674 -11.7674 -11.6726 -11.6726 -11.5465 -11.5465 -11.5415 -11.5415 -11.4834 -11.4834 -11.4802 -11.4802 -8.9292 -8.9292 -8.9025 -8.9025 1.3854 1.3854 1.4009 1.4009 4.5007 4.5007 4.5214 4.5214 6.1039 6.1039 6.1391 6.1391 7.1841 7.1841 7.1913 7.1913 11.3965 11.3965 11.4417 11.4417 14.1832 14.1832 14.4075 14.4075 k = 0.2561 0.5000-0.0000 ( 2754 PWs) bands (ev): -12.7059 -12.7059 -12.6415 -12.6415 -12.5590 -12.5590 -12.5511 -12.5511 -11.7675 -11.7675 -11.6739 -11.6739 -11.5457 -11.5457 -11.5414 -11.5414 -11.4820 -11.4820 -11.4791 -11.4791 -8.9205 -8.9205 -8.8939 -8.8939 1.3297 1.3297 1.3453 1.3453 4.5059 4.5059 4.5261 4.5261 6.1777 6.1777 6.2137 6.2137 7.2060 7.2060 7.2118 7.2118 11.2828 11.2828 11.3331 11.3331 14.1662 14.1662 14.3747 14.3747 k = 0.2683 0.5000-0.0000 ( 2766 PWs) bands (ev): -12.7066 -12.7066 -12.6433 -12.6433 -12.5580 -12.5580 -12.5508 -12.5508 -11.7673 -11.7673 -11.6755 -11.6755 -11.5448 -11.5448 -11.5413 -11.5413 -11.4805 -11.4805 -11.4780 -11.4780 -8.9118 -8.9118 -8.8854 -8.8854 1.2752 1.2752 1.2907 1.2907 4.5119 4.5119 4.5314 4.5314 6.2515 6.2515 6.2880 6.2880 7.2281 7.2281 7.2323 7.2323 11.1681 11.1681 11.2229 11.2229 14.1504 14.1504 14.3436 14.3436 k = 0.2805 0.5000-0.0000 ( 2766 PWs) bands (ev): -12.7072 -12.7072 -12.6454 -12.6454 -12.5569 -12.5569 -12.5505 -12.5505 -11.7669 -11.7669 -11.6773 -11.6773 -11.5439 -11.5439 -11.5411 -11.5411 -11.4791 -11.4791 -11.4769 -11.4769 -8.9031 -8.9031 -8.8771 -8.8771 1.2221 1.2221 1.2375 1.2375 4.5184 4.5184 4.5373 4.5373 6.3252 6.3252 6.3618 6.3618 7.2503 7.2503 7.2526 7.2526 11.0531 11.0531 11.1118 11.1118 14.1356 14.1356 14.3140 14.3140 k = 0.2927 0.5000-0.0000 ( 2770 PWs) bands (ev): -12.7075 -12.7075 -12.6476 -12.6476 -12.5559 -12.5559 -12.5502 -12.5502 -11.7662 -11.7662 -11.6793 -11.6793 -11.5431 -11.5431 -11.5410 -11.5410 -11.4777 -11.4777 -11.4758 -11.4758 -8.8944 -8.8944 -8.8689 -8.8689 1.1706 1.1706 1.1858 1.1858 4.5254 4.5254 4.5437 4.5437 6.3986 6.3986 6.4349 6.4349 7.2727 7.2727 7.2728 7.2728 10.9382 10.9382 11.0002 11.0002 14.1215 14.1215 14.2857 14.2857 k = 0.3049 0.5000-0.0000 ( 2768 PWs) bands (ev): -12.7077 -12.7077 -12.6499 -12.6499 -12.5549 -12.5549 -12.5499 -12.5499 -11.7652 -11.7652 -11.6814 -11.6814 -11.5423 -11.5423 -11.5408 -11.5408 -11.4763 -11.4763 -11.4747 -11.4747 -8.8857 -8.8857 -8.8609 -8.8609 1.1211 1.1211 1.1358 1.1358 4.5327 4.5327 4.5503 4.5503 6.4714 6.4714 6.5071 6.5071 7.2930 7.2930 7.2953 7.2953 10.8240 10.8240 10.8886 10.8886 14.1079 14.1079 14.2585 14.2585 k = 0.3171 0.5000-0.0000 ( 2760 PWs) bands (ev): -12.7078 -12.7078 -12.6523 -12.6523 -12.5540 -12.5540 -12.5496 -12.5496 -11.7640 -11.7640 -11.6837 -11.6837 -11.5416 -11.5416 -11.5407 -11.5407 -11.4750 -11.4750 -11.4737 -11.4737 -8.8772 -8.8772 -8.8532 -8.8532 1.0736 1.0736 1.0879 1.0879 4.5403 4.5403 4.5571 4.5571 6.5433 6.5433 6.5779 6.5779 7.3130 7.3130 7.3181 7.3181 10.7111 10.7111 10.7778 10.7778 14.0948 14.0948 14.2325 14.2325 k = 0.3293 0.5000-0.0000 ( 2760 PWs) bands (ev): -12.7077 -12.7077 -12.6549 -12.6549 -12.5531 -12.5531 -12.5494 -12.5494 -11.7625 -11.7625 -11.6861 -11.6861 -11.5410 -11.5410 -11.5405 -11.5405 -11.4737 -11.4737 -11.4727 -11.4727 -8.8689 -8.8689 -8.8458 -8.8458 1.0283 1.0283 1.0421 1.0421 4.5480 4.5480 4.5639 4.5639 6.6140 6.6140 6.6470 6.6470 7.3332 7.3332 7.3412 7.3412 10.6000 10.6000 10.6680 10.6680 14.0822 14.0822 14.2076 14.2076 k = 0.3415 0.5000-0.0000 ( 2764 PWs) bands (ev): -12.7074 -12.7074 -12.6574 -12.6574 -12.5523 -12.5523 -12.5491 -12.5491 -11.7608 -11.7608 -11.6886 -11.6886 -11.5403 -11.5403 -11.5403 -11.5403 -11.4725 -11.4725 -11.4718 -11.4718 -8.8607 -8.8607 -8.8388 -8.8388 0.9855 0.9855 0.9987 0.9987 4.5557 4.5557 4.5707 4.5707 6.6830 6.6830 6.7138 6.7138 7.3534 7.3534 7.3647 7.3647 10.4912 10.4912 10.5600 10.5600 14.0700 14.0700 14.1837 14.1837 k = 0.3537 0.5000-0.0000 ( 2764 PWs) bands (ev): -12.7070 -12.7070 -12.6601 -12.6601 -12.5516 -12.5516 -12.5489 -12.5489 -11.7590 -11.7590 -11.6912 -11.6912 -11.5401 -11.5401 -11.5398 -11.5398 -11.4713 -11.4713 -11.4709 -11.4709 -8.8529 -8.8529 -8.8321 -8.8321 0.9453 0.9453 0.9577 0.9577 4.5633 4.5633 4.5774 4.5774 6.7498 6.7498 6.7780 6.7780 7.3741 7.3741 7.3888 7.3888 10.3855 10.3855 10.4543 10.4543 14.0584 14.0584 14.1609 14.1609 k = 0.3659 0.5000-0.0000 ( 2766 PWs) bands (ev): -12.7064 -12.7064 -12.6627 -12.6627 -12.5509 -12.5509 -12.5486 -12.5486 -11.7569 -11.7569 -11.6939 -11.6939 -11.5399 -11.5399 -11.5393 -11.5393 -11.4703 -11.4703 -11.4700 -11.4700 -8.8454 -8.8454 -8.8259 -8.8259 0.9078 0.9078 0.9195 0.9195 4.5707 4.5707 4.5838 4.5838 6.8138 6.8138 6.8388 6.8388 7.3953 7.3953 7.4135 7.4135 10.2833 10.2833 10.3515 10.3515 14.0473 14.0473 14.1392 14.1392 k = 0.3780 0.5000-0.0000 ( 2770 PWs) bands (ev): -12.7057 -12.7057 -12.6654 -12.6654 -12.5503 -12.5503 -12.5484 -12.5484 -11.7547 -11.7547 -11.6967 -11.6967 -11.5396 -11.5396 -11.5389 -11.5389 -11.4693 -11.4693 -11.4692 -11.4692 -8.8383 -8.8383 -8.8203 -8.8203 0.8731 0.8731 0.8840 0.8840 4.5779 4.5779 4.5900 4.5900 6.8743 6.8743 6.8956 6.8956 7.4173 7.4173 7.4391 7.4391 10.1855 10.1855 10.2522 10.2522 14.0369 14.0369 14.1187 14.1187 k = 0.3902 0.5000-0.0000 ( 2772 PWs) bands (ev): -12.7048 -12.7048 -12.6681 -12.6681 -12.5497 -12.5497 -12.5482 -12.5482 -11.7523 -11.7523 -11.6996 -11.6996 -11.5394 -11.5394 -11.5385 -11.5385 -11.4685 -11.4685 -11.4684 -11.4684 -8.8316 -8.8316 -8.8151 -8.8151 0.8415 0.8415 0.8515 0.8515 4.5847 4.5847 4.5957 4.5957 6.9304 6.9304 6.9478 6.9478 7.4403 7.4403 7.4655 7.4655 10.0928 10.0928 10.1572 10.1572 14.0273 14.0273 14.0995 14.0995 k = 0.4024 0.5000-0.0000 ( 2772 PWs) bands (ev): -12.7037 -12.7037 -12.6708 -12.6708 -12.5492 -12.5492 -12.5480 -12.5480 -11.7498 -11.7498 -11.7025 -11.7025 -11.5392 -11.5392 -11.5382 -11.5382 -11.4678 -11.4678 -11.4676 -11.4676 -8.8254 -8.8254 -8.8105 -8.8105 0.8130 0.8130 0.8220 0.8220 4.5911 4.5911 4.6010 4.6010 6.9814 6.9814 6.9947 6.9947 7.4646 7.4646 7.4925 7.4925 10.0059 10.0059 10.0672 10.0672 14.0186 14.0186 14.0816 14.0816 k = 0.4146 0.5000-0.0000 ( 2776 PWs) bands (ev): -12.7026 -12.7026 -12.6735 -12.6735 -12.5488 -12.5488 -12.5479 -12.5479 -11.7472 -11.7472 -11.7054 -11.7054 -11.5389 -11.5389 -11.5380 -11.5380 -11.4671 -11.4671 -11.4669 -11.4669 -8.8197 -8.8197 -8.8065 -8.8065 0.7876 0.7876 0.7956 0.7956 4.5970 4.5970 4.6057 4.6057 7.0266 7.0266 7.0360 7.0360 7.4899 7.4899 7.5197 7.5197 9.9260 9.9260 9.9832 9.9832 14.0109 14.0109 14.0652 14.0652 k = 0.4268 0.5000-0.0000 ( 2780 PWs) bands (ev): -12.7012 -12.7012 -12.6761 -12.6761 -12.5485 -12.5485 -12.5477 -12.5477 -11.7445 -11.7445 -11.7084 -11.7084 -11.5387 -11.5387 -11.5378 -11.5378 -11.4666 -11.4666 -11.4663 -11.4663 -8.8146 -8.8146 -8.8031 -8.8031 0.7656 0.7656 0.7725 0.7725 4.6023 4.6023 4.6098 4.6098 7.0654 7.0654 7.0715 7.0715 7.5161 7.5161 7.5464 7.5464 9.8541 9.8541 9.9061 9.9061 14.0044 14.0044 14.0503 14.0503 k = 0.4390 0.5000-0.0000 ( 2776 PWs) bands (ev): -12.6998 -12.6998 -12.6787 -12.6787 -12.5481 -12.5481 -12.5476 -12.5476 -11.7417 -11.7417 -11.7115 -11.7115 -11.5385 -11.5385 -11.5376 -11.5376 -11.4661 -11.4661 -11.4658 -11.4658 -8.8100 -8.8100 -8.8003 -8.8003 0.7469 0.7469 0.7527 0.7527 4.6070 4.6070 4.6133 4.6133 7.0975 7.0975 7.1009 7.1009 7.5424 7.5424 7.5715 7.5715 9.7913 9.7913 9.8371 9.8371 13.9993 13.9993 14.0370 14.0370 k = 0.4512 0.5000-0.0000 ( 2772 PWs) bands (ev): -12.6982 -12.6982 -12.6812 -12.6812 -12.5479 -12.5479 -12.5475 -12.5475 -11.7388 -11.7388 -11.7145 -11.7145 -11.5383 -11.5383 -11.5376 -11.5376 -11.4656 -11.4656 -11.4654 -11.4654 -8.8060 -8.8060 -8.7982 -8.7982 0.7317 0.7317 0.7364 0.7364 4.6110 4.6110 4.6161 4.6161 7.1231 7.1231 7.1246 7.1246 7.5677 7.5677 7.5937 7.5937 9.7388 9.7388 9.7772 9.7772 13.9955 13.9955 14.0254 14.0254 k = 0.4634 0.5000-0.0000 ( 2760 PWs) bands (ev): -12.6964 -12.6964 -12.6837 -12.6837 -12.5477 -12.5477 -12.5474 -12.5474 -11.7359 -11.7359 -11.7176 -11.7176 -11.5381 -11.5381 -11.5375 -11.5375 -11.4653 -11.4653 -11.4651 -11.4651 -8.8026 -8.8026 -8.7968 -8.7968 0.7199 0.7199 0.7234 0.7234 4.6144 4.6144 4.6182 4.6182 7.1424 7.1424 7.1428 7.1428 7.5905 7.5905 7.6119 7.6119 9.6977 9.6977 9.7277 9.7277 13.9933 13.9933 14.0155 14.0155 k = 0.4756 0.5000-0.0000 ( 2760 PWs) bands (ev): -12.6946 -12.6946 -12.6860 -12.6860 -12.5476 -12.5476 -12.5474 -12.5474 -11.7329 -11.7329 -11.7207 -11.7207 -11.5379 -11.5379 -11.5375 -11.5375 -11.4650 -11.4650 -11.4649 -11.4649 -8.8000 -8.8000 -8.7960 -8.7960 0.7116 0.7116 0.7140 0.7140 4.6169 4.6169 4.6195 4.6195 7.1556 7.1556 7.1557 7.1557 7.6094 7.6094 7.6246 7.6246 9.6692 9.6692 9.6897 9.6897 13.9926 13.9926 14.0074 14.0074 k = 0.4878 0.5000-0.0000 ( 2764 PWs) bands (ev): -12.6926 -12.6926 -12.6883 -12.6883 -12.5474 -12.5474 -12.5474 -12.5474 -11.7299 -11.7299 -11.7237 -11.7237 -11.5378 -11.5378 -11.5376 -11.5376 -11.4648 -11.4648 -11.4648 -11.4648 -8.7979 -8.7979 -8.7960 -8.7960 0.7069 0.7069 0.7081 0.7081 4.6188 4.6188 4.6201 4.6201 7.1632 7.1632 7.1634 7.1634 7.6231 7.6231 7.6309 7.6309 9.6538 9.6538 9.6643 9.6643 13.9937 13.9937 14.0010 14.0010 k = 0.5000 0.5000-0.0000 ( 2752 PWs) bands (ev): -12.6905 -12.6905 -12.6905 -12.6905 -12.5474 -12.5474 -12.5474 -12.5474 -11.7268 -11.7268 -11.7268 -11.7268 -11.5377 -11.5377 -11.5377 -11.5377 -11.4648 -11.4648 -11.4648 -11.4648 -8.7966 -8.7966 -8.7966 -8.7966 0.7057 0.7057 0.7057 0.7057 4.6198 4.6198 4.6198 4.6198 7.1658 7.1658 7.1658 7.1658 7.6304 7.6304 7.6304 7.6304 9.6522 9.6522 9.6522 9.6522 13.9965 13.9965 13.9965 13.9965 k = 0.5000 0.5000-0.0000 ( 2752 PWs) bands (ev): -12.6905 -12.6905 -12.6905 -12.6905 -12.5474 -12.5474 -12.5474 -12.5474 -11.7268 -11.7268 -11.7268 -11.7268 -11.5377 -11.5377 -11.5377 -11.5377 -11.4648 -11.4648 -11.4648 -11.4648 -8.7966 -8.7966 -8.7966 -8.7966 0.7057 0.7057 0.7057 0.7057 4.6198 4.6198 4.6198 4.6198 7.1658 7.1658 7.1658 7.1658 7.6304 7.6304 7.6304 7.6304 9.6522 9.6522 9.6522 9.6522 13.9965 13.9965 13.9965 13.9965 k = 0.4914 0.4914-0.0000 ( 2760 PWs) bands (ev): -12.6926 -12.6926 -12.6883 -12.6883 -12.5474 -12.5474 -12.5474 -12.5474 -11.7299 -11.7299 -11.7237 -11.7237 -11.5378 -11.5378 -11.5376 -11.5376 -11.4648 -11.4648 -11.4648 -11.4648 -8.7983 -8.7983 -8.7956 -8.7956 0.7064 0.7064 0.7085 0.7085 4.6180 4.6180 4.6209 4.6209 7.1612 7.1612 7.1655 7.1655 7.6203 7.6203 7.6337 7.6337 9.6529 9.6529 9.6652 9.6652 13.9935 13.9935 14.0012 14.0012 k = 0.4828 0.4828-0.0000 ( 2764 PWs) bands (ev): -12.6946 -12.6946 -12.6860 -12.6860 -12.5475 -12.5475 -12.5474 -12.5474 -11.7329 -11.7329 -11.7207 -11.7207 -11.5379 -11.5379 -11.5375 -11.5375 -11.4650 -11.4650 -11.4649 -11.4649 -8.8023 -8.8023 -8.7937 -8.7937 0.7093 0.7093 0.7163 0.7163 4.6129 4.6129 4.6236 4.6236 7.1473 7.1473 7.1643 7.1643 7.5943 7.5943 7.6396 7.6396 9.6630 9.6630 9.6955 9.6955 13.9912 13.9912 14.0088 14.0088 k = 0.4741 0.4741-0.0000 ( 2758 PWs) bands (ev): -12.6965 -12.6965 -12.6836 -12.6836 -12.5477 -12.5477 -12.5474 -12.5474 -11.7359 -11.7359 -11.7176 -11.7176 -11.5381 -11.5381 -11.5375 -11.5375 -11.4653 -11.4653 -11.4650 -11.4650 -8.8088 -8.8088 -8.7906 -8.7906 0.7140 0.7140 0.7293 0.7293 4.6045 4.6045 4.6281 4.6281 7.1244 7.1244 7.1623 7.1623 7.5529 7.5529 7.6493 7.6493 9.6807 9.6807 9.7433 9.7433 13.9890 13.9890 14.0198 14.0198 k = 0.4655 0.4655-0.0000 ( 2774 PWs) bands (ev): -12.6982 -12.6982 -12.6811 -12.6811 -12.5479 -12.5479 -12.5475 -12.5475 -11.7389 -11.7389 -11.7144 -11.7144 -11.5383 -11.5383 -11.5375 -11.5375 -11.4657 -11.4657 -11.4653 -11.4653 -8.8178 -8.8178 -8.7864 -8.7864 0.7206 0.7206 0.7474 0.7474 4.5929 4.5929 4.6344 4.6344 7.0929 7.0929 7.1595 7.1595 7.4981 7.4981 7.6628 7.6628 9.7053 9.7053 9.8068 9.8068 13.9863 13.9863 14.0346 14.0346 k = 0.4569 0.4569-0.0000 ( 2778 PWs) bands (ev): -12.6999 -12.6999 -12.6785 -12.6785 -12.5481 -12.5481 -12.5476 -12.5476 -11.7419 -11.7419 -11.7113 -11.7113 -11.5386 -11.5386 -11.5376 -11.5376 -11.4662 -11.4662 -11.4657 -11.4657 -8.8293 -8.8293 -8.7809 -8.7809 0.7291 0.7291 0.7706 0.7706 4.5782 4.5782 4.6425 4.6425 7.0533 7.0533 7.1559 7.1559 7.4322 7.4322 7.6799 7.6799 9.7361 9.7361 9.8836 9.8836 13.9830 13.9830 14.0533 14.0533 k = 0.4483 0.4483-0.0000 ( 2774 PWs) bands (ev): -12.7015 -12.7015 -12.6758 -12.6758 -12.5484 -12.5484 -12.5478 -12.5478 -11.7448 -11.7448 -11.7082 -11.7082 -11.5388 -11.5388 -11.5377 -11.5377 -11.4667 -11.4667 -11.4661 -11.4661 -8.8433 -8.8433 -8.7743 -8.7743 0.7394 0.7394 0.7987 0.7987 4.5604 4.5604 4.6524 4.6524 7.0062 7.0062 7.1515 7.1515 7.3575 7.3575 7.7006 7.7006 9.7728 9.7728 9.9716 9.9716 13.9791 13.9791 14.0757 14.0757 k = 0.4397 0.4397-0.0000 ( 2770 PWs) bands (ev): -12.7030 -12.7030 -12.6730 -12.6730 -12.5487 -12.5487 -12.5480 -12.5480 -11.7476 -11.7476 -11.7050 -11.7050 -11.5391 -11.5391 -11.5378 -11.5378 -11.4674 -11.4674 -11.4666 -11.4666 -8.8596 -8.8596 -8.7666 -8.7666 0.7515 0.7515 0.8317 0.8317 4.5399 4.5399 4.6641 4.6641 6.9521 6.9521 7.1463 7.1463 7.2762 7.2762 7.7247 7.7247 9.8147 9.8147 10.0685 10.0685 13.9743 13.9743 14.1017 14.1017 k = 0.4310 0.4310-0.0000 ( 2768 PWs) bands (ev): -12.7044 -12.7044 -12.6701 -12.6701 -12.5490 -12.5490 -12.5482 -12.5482 -11.7505 -11.7505 -11.7018 -11.7018 -11.5395 -11.5395 -11.5380 -11.5380 -11.4681 -11.4681 -11.4672 -11.4672 -8.8782 -8.8782 -8.7576 -8.7576 0.7655 0.7655 0.8695 0.8695 4.5167 4.5167 4.6774 4.6774 6.8918 6.8918 7.1399 7.1399 7.1905 7.1905 7.7521 7.7521 9.8615 9.8615 10.1726 10.1726 13.9688 13.9688 14.1311 14.1311 k = 0.4224 0.4224-0.0000 ( 2772 PWs) bands (ev): -12.7057 -12.7057 -12.6671 -12.6671 -12.5494 -12.5494 -12.5484 -12.5484 -11.7532 -11.7532 -11.6987 -11.6987 -11.5398 -11.5398 -11.5382 -11.5382 -11.4689 -11.4689 -11.4678 -11.4678 -8.8991 -8.8991 -8.7476 -8.7476 0.7813 0.7813 0.9118 0.9118 4.4911 4.4911 4.6925 4.6925 6.8258 6.8258 7.0980 7.0980 7.1360 7.1360 7.7827 7.7827 9.9125 9.9125 10.2823 10.2823 13.9623 13.9623 14.1635 14.1635 k = 0.4138 0.4138-0.0000 ( 2774 PWs) bands (ev): -12.7070 -12.7070 -12.6640 -12.6640 -12.5498 -12.5498 -12.5487 -12.5487 -11.7559 -11.7559 -11.6954 -11.6954 -11.5402 -11.5402 -11.5384 -11.5384 -11.4698 -11.4698 -11.4685 -11.4685 -8.9220 -8.9220 -8.7365 -8.7365 0.7988 0.7988 0.9586 0.9586 4.4632 4.4632 4.7093 4.7093 6.7548 6.7548 7.0068 7.0068 7.1278 7.1278 7.8163 7.8163 9.9673 9.9673 10.3963 10.3963 13.9548 13.9548 14.1985 14.1985 k = 0.4052 0.4052-0.0000 ( 2768 PWs) bands (ev): -12.7081 -12.7081 -12.6608 -12.6608 -12.5503 -12.5503 -12.5490 -12.5490 -11.7585 -11.7585 -11.6922 -11.6922 -11.5406 -11.5406 -11.5387 -11.5387 -11.4708 -11.4708 -11.4692 -11.4692 -8.9470 -8.9470 -8.7243 -8.7243 0.8181 0.8181 1.0096 1.0096 4.4333 4.4333 4.7278 4.7278 6.6794 6.6794 6.9135 6.9135 7.1197 7.1197 7.8527 7.8527 10.0256 10.0256 10.5136 10.5136 13.9464 13.9464 14.2355 14.2355 k = 0.3966 0.3966-0.0000 ( 2768 PWs) bands (ev): -12.7092 -12.7092 -12.6575 -12.6575 -12.5508 -12.5508 -12.5494 -12.5494 -11.7611 -11.7611 -11.6890 -11.6890 -11.5411 -11.5411 -11.5390 -11.5390 -11.4719 -11.4719 -11.4700 -11.4700 -8.9739 -8.9739 -8.7111 -8.7111 0.8391 0.8391 1.0647 1.0647 4.4016 4.4016 4.7478 4.7478 6.6000 6.6000 6.8196 6.8196 7.1111 7.1111 7.8917 7.8917 10.0870 10.0870 10.6333 10.6333 13.9369 13.9369 14.2737 14.2737 k = 0.3879 0.3879-0.0000 ( 2764 PWs) bands (ev): -12.7102 -12.7102 -12.6542 -12.6542 -12.5514 -12.5514 -12.5497 -12.5497 -11.7635 -11.7635 -11.6857 -11.6857 -11.5416 -11.5416 -11.5393 -11.5393 -11.4730 -11.4730 -11.4708 -11.4708 -9.0026 -9.0026 -8.6969 -8.6969 0.8617 0.8617 1.1236 1.1236 4.3683 4.3683 4.7695 4.7695 6.5173 6.5173 6.7257 6.7257 7.1020 7.1020 7.9333 7.9333 10.1512 10.1512 10.7546 10.7546 13.9262 13.9262 14.3123 14.3123 k = 0.3793 0.3793-0.0000 ( 2764 PWs) bands (ev): -12.7111 -12.7111 -12.6508 -12.6508 -12.5519 -12.5519 -12.5501 -12.5501 -11.7659 -11.7659 -11.6824 -11.6824 -11.5421 -11.5421 -11.5396 -11.5396 -11.4742 -11.4742 -11.4717 -11.4717 -9.0330 -9.0330 -8.6818 -8.6818 0.8860 0.8860 1.1862 1.1862 4.3336 4.3336 4.7927 4.7927 6.4317 6.4317 6.6326 6.6326 7.0922 7.0922 7.9772 7.9772 10.2180 10.2180 10.8769 10.8769 13.9145 13.9145 14.3501 14.3501 k = 0.3707 0.3707-0.0000 ( 2768 PWs) bands (ev): -12.7120 -12.7120 -12.6473 -12.6473 -12.5525 -12.5525 -12.5505 -12.5505 -11.7681 -11.7681 -11.6791 -11.6791 -11.5426 -11.5426 -11.5400 -11.5400 -11.4754 -11.4754 -11.4725 -11.4725 -9.0650 -9.0650 -8.6657 -8.6657 0.9118 0.9118 1.2522 1.2522 4.2977 4.2977 4.8175 4.8175 6.3437 6.3437 6.5405 6.5405 7.0819 7.0819 8.0232 8.0232 10.2871 10.2871 10.9997 10.9997 13.9014 13.9014 14.3855 14.3855 k = 0.3621 0.3621-0.0000 ( 2772 PWs) bands (ev): -12.7128 -12.7128 -12.6438 -12.6438 -12.5532 -12.5532 -12.5510 -12.5510 -11.7702 -11.7702 -11.6757 -11.6757 -11.5432 -11.5432 -11.5404 -11.5404 -11.4767 -11.4767 -11.4734 -11.4734 -9.0984 -9.0984 -8.6488 -8.6488 0.9392 0.9392 1.3212 1.3212 4.2609 4.2609 4.8437 4.8437 6.2537 6.2537 6.4500 6.4500 7.0710 7.0710 8.0712 8.0712 10.3583 10.3583 11.1226 11.1226 13.8872 13.8872 14.4171 14.4171 k = 0.3534 0.3534-0.0000 ( 2766 PWs) bands (ev): -12.7136 -12.7136 -12.6403 -12.6403 -12.5538 -12.5538 -12.5515 -12.5515 -11.7722 -11.7722 -11.6723 -11.6723 -11.5439 -11.5439 -11.5409 -11.5409 -11.4781 -11.4781 -11.4743 -11.4743 -9.1331 -9.1331 -8.6311 -8.6311 0.9680 0.9680 1.3932 1.3932 4.2233 4.2233 4.8714 4.8714 6.1620 6.1620 6.3614 6.3614 7.0597 7.0597 8.1211 8.1211 10.4316 10.4316 11.2450 11.2450 13.8717 13.8717 14.4428 14.4428 k = 0.3448 0.3448-0.0000 ( 2774 PWs) bands (ev): -12.7143 -12.7143 -12.6366 -12.6366 -12.5545 -12.5545 -12.5519 -12.5519 -11.7741 -11.7741 -11.6689 -11.6689 -11.5446 -11.5446 -11.5413 -11.5413 -11.4795 -11.4795 -11.4752 -11.4752 -9.1691 -9.1691 -8.6126 -8.6126 0.9982 0.9982 1.4676 1.4676 4.1851 4.1851 4.9004 4.9004 6.0691 6.0691 6.2751 6.2751 7.0478 7.0478 8.1726 8.1726 10.5067 10.5067 11.3668 11.3668 13.8548 13.8548 14.4608 14.4608 k = 0.3362 0.3362-0.0000 ( 2774 PWs) bands (ev): -12.7149 -12.7149 -12.6330 -12.6330 -12.5552 -12.5552 -12.5525 -12.5525 -11.7757 -11.7757 -11.6654 -11.6654 -11.5453 -11.5453 -11.5418 -11.5418 -11.4809 -11.4809 -11.4761 -11.4761 -9.2061 -9.2061 -8.5933 -8.5933 1.0297 1.0297 1.5443 1.5443 4.1466 4.1466 4.9307 4.9307 5.9753 5.9753 6.1914 6.1914 7.0355 7.0355 8.2256 8.2256 10.5837 10.5837 11.4876 11.4876 13.8367 13.8367 14.4694 14.4694 k = 0.3276 0.3276-0.0000 ( 2775 PWs) bands (ev): -12.7156 -12.7156 -12.6294 -12.6294 -12.5559 -12.5559 -12.5530 -12.5530 -11.7773 -11.7773 -11.6618 -11.6618 -11.5461 -11.5461 -11.5422 -11.5422 -11.4823 -11.4823 -11.4770 -11.4770 -9.2441 -9.2441 -8.5734 -8.5734 1.0625 1.0625 1.6229 1.6229 4.1079 4.1079 4.9623 4.9623 5.8807 5.8807 6.1107 6.1107 7.0228 7.0228 8.2799 8.2799 10.6625 10.6625 11.6071 11.6071 13.8171 13.8171 14.4670 14.4670 k = 0.3190 0.3190-0.0000 ( 2777 PWs) bands (ev): -12.7162 -12.7162 -12.6257 -12.6257 -12.5567 -12.5567 -12.5535 -12.5535 -11.7787 -11.7787 -11.6583 -11.6583 -11.5469 -11.5469 -11.5427 -11.5427 -11.4837 -11.4837 -11.4779 -11.4779 -9.2829 -9.2829 -8.5528 -8.5528 1.0965 1.0965 1.7030 1.7030 4.0691 4.0691 4.9950 4.9950 5.7857 5.7857 6.0333 6.0333 7.0097 7.0097 8.3354 8.3354 10.7429 10.7429 11.7252 11.7252 13.7962 13.7962 14.4531 14.4531 k = 0.3103 0.3103-0.0000 ( 2765 PWs) bands (ev): -12.7167 -12.7167 -12.6221 -12.6221 -12.5574 -12.5574 -12.5541 -12.5541 -11.7798 -11.7798 -11.6546 -11.6546 -11.5478 -11.5478 -11.5432 -11.5432 -11.4852 -11.4852 -11.4788 -11.4788 -9.3224 -9.3224 -8.5317 -8.5317 1.1315 1.1315 1.7842 1.7842 4.0306 4.0306 5.0289 5.0289 5.6905 5.6905 5.9596 5.9596 6.9963 6.9963 8.3919 8.3919 10.8250 10.8250 11.8416 11.8416 13.7739 13.7739 14.4273 14.4273 k = 0.3017 0.3017-0.0000 ( 2767 PWs) bands (ev): -12.7172 -12.7172 -12.6185 -12.6185 -12.5581 -12.5581 -12.5547 -12.5547 -11.7809 -11.7809 -11.6509 -11.6509 -11.5487 -11.5487 -11.5436 -11.5436 -11.4867 -11.4867 -11.4797 -11.4797 -9.3625 -9.3625 -8.5100 -8.5100 1.1676 1.1676 1.8661 1.8661 3.9923 3.9923 5.0639 5.0639 5.5952 5.5952 5.8901 5.8901 6.9825 6.9825 8.4492 8.4492 10.9087 10.9087 11.9563 11.9563 13.7500 13.7500 14.3905 14.3905 k = 0.2931 0.2931-0.0000 ( 2763 PWs) bands (ev): -12.7177 -12.7177 -12.6149 -12.6149 -12.5588 -12.5588 -12.5553 -12.5553 -11.7817 -11.7817 -11.6472 -11.6472 -11.5497 -11.5497 -11.5441 -11.5441 -11.4881 -11.4881 -11.4805 -11.4805 -9.4031 -9.4031 -8.4879 -8.4879 1.2045 1.2045 1.9483 1.9483 3.9545 3.9545 5.0998 5.0998 5.5001 5.5001 5.8250 5.8250 6.9685 6.9685 8.5071 8.5071 10.9940 10.9940 12.0689 12.0689 13.7247 13.7247 14.3438 14.3438 k = 0.2845 0.2845-0.0000 ( 2759 PWs) bands (ev): -12.7182 -12.7182 -12.6114 -12.6114 -12.5595 -12.5595 -12.5559 -12.5559 -11.7823 -11.7823 -11.6433 -11.6433 -11.5507 -11.5507 -11.5446 -11.5446 -11.4896 -11.4896 -11.4813 -11.4813 -9.4441 -9.4441 -8.4654 -8.4654 1.2423 1.2423 2.0303 2.0303 3.9174 3.9174 5.1365 5.1365 5.4054 5.4054 5.7648 5.7648 6.9541 6.9541 8.5654 8.5654 11.0809 11.0809 12.1793 12.1793 13.6977 13.6977 14.2888 14.2888 k = 0.2759 0.2759-0.0000 ( 2763 PWs) bands (ev): -12.7186 -12.7186 -12.6080 -12.6080 -12.5601 -12.5601 -12.5565 -12.5565 -11.7828 -11.7828 -11.6395 -11.6395 -11.5517 -11.5517 -11.5450 -11.5450 -11.4910 -11.4910 -11.4821 -11.4821 -9.4854 -9.4854 -8.4426 -8.4426 1.2807 1.2807 2.1115 2.1115 3.8811 3.8811 5.1738 5.1738 5.3116 5.3116 5.7098 5.7098 6.9396 6.9396 8.6239 8.6239 11.1694 11.1694 12.2872 12.2872 13.6690 13.6690 14.2274 14.2274 k = 0.2672 0.2672-0.0000 ( 2767 PWs) bands (ev): -12.7191 -12.7191 -12.6048 -12.6048 -12.5607 -12.5607 -12.5571 -12.5571 -11.7830 -11.7830 -11.6355 -11.6355 -11.5528 -11.5528 -11.5455 -11.5455 -11.4924 -11.4924 -11.4829 -11.4829 -9.5268 -9.5268 -8.4195 -8.4195 1.3197 1.3197 2.1915 2.1915 3.8457 3.8457 5.2051 5.2051 5.2251 5.2251 5.6606 5.6606 6.9249 6.9249 8.6824 8.6824 11.2593 11.2593 12.3923 12.3923 13.6385 13.6385 14.1615 14.1615 k = 0.2586 0.2586-0.0000 ( 2767 PWs) bands (ev): -12.7195 -12.7195 -12.6016 -12.6016 -12.5612 -12.5612 -12.5577 -12.5577 -11.7831 -11.7831 -11.6315 -11.6315 -11.5539 -11.5539 -11.5459 -11.5459 -11.4938 -11.4938 -11.4836 -11.4836 -9.5683 -9.5683 -8.3962 -8.3962 1.3591 1.3591 2.2697 2.2697 3.8113 3.8113 5.1242 5.1242 5.2525 5.2525 5.6174 5.6174 6.9100 6.9100 8.7407 8.7407 11.3508 11.3508 12.4940 12.4940 13.6058 13.6058 14.0934 14.0934 k = 0.2500 0.2500-0.0000 ( 2767 PWs) bands (ev): -12.7199 -12.7199 -12.5987 -12.5987 -12.5615 -12.5615 -12.5583 -12.5583 -11.7829 -11.7829 -11.6273 -11.6273 -11.5551 -11.5551 -11.5464 -11.5464 -11.4951 -11.4951 -11.4843 -11.4843 -9.6097 -9.6097 -8.3727 -8.3727 1.3988 1.3988 2.3455 2.3455 3.7782 3.7782 5.0332 5.0332 5.2915 5.2915 5.5809 5.5809 6.8950 6.8950 8.7985 8.7985 11.4438 11.4438 12.5915 12.5915 13.5707 13.5707 14.0255 14.0255 k = 0.2414 0.2414-0.0000 ( 2771 PWs) bands (ev): -12.7203 -12.7203 -12.5959 -12.5959 -12.5618 -12.5618 -12.5588 -12.5588 -11.7826 -11.7826 -11.6232 -11.6232 -11.5562 -11.5562 -11.5468 -11.5468 -11.4964 -11.4964 -11.4849 -11.4849 -9.6509 -9.6509 -8.3491 -8.3491 1.4386 1.4386 2.4184 2.4184 3.7464 3.7464 4.9433 4.9433 5.3309 5.3309 5.5515 5.5515 6.8798 6.8798 8.8556 8.8556 11.5382 11.5382 12.6836 12.6836 13.5330 13.5330 13.9604 13.9604 k = 0.2328 0.2328-0.0000 ( 2763 PWs) bands (ev): -12.7207 -12.7207 -12.5935 -12.5935 -12.5619 -12.5619 -12.5593 -12.5593 -11.7821 -11.7821 -11.6189 -11.6189 -11.5574 -11.5574 -11.5472 -11.5472 -11.4976 -11.4976 -11.4856 -11.4856 -9.6920 -9.6920 -8.3256 -8.3256 1.4785 1.4785 2.4877 2.4877 3.7160 3.7160 4.8548 4.8548 5.3702 5.3702 5.5299 5.5299 6.8646 6.8646 8.9117 8.9117 11.6340 11.6340 12.7684 12.7684 13.4925 13.4925 13.9013 13.9013 k = 0.2241 0.2241-0.0000 ( 2755 PWs) bands (ev): -12.7211 -12.7211 -12.5913 -12.5913 -12.5620 -12.5620 -12.5595 -12.5595 -11.7814 -11.7814 -11.6146 -11.6146 -11.5586 -11.5586 -11.5477 -11.5477 -11.4987 -11.4987 -11.4861 -11.4861 -9.7327 -9.7327 -8.3021 -8.3021 1.5181 1.5181 2.5530 2.5530 3.6872 3.6872 4.7680 4.7680 5.4086 5.4086 5.5172 5.5172 6.8494 6.8494 8.9664 8.9664 11.7312 11.7312 12.8427 12.8427 13.4502 13.4502 13.8516 13.8516 k = 0.2155 0.2155-0.0000 ( 2749 PWs) bands (ev): -12.7215 -12.7215 -12.5895 -12.5895 -12.5622 -12.5622 -12.5594 -12.5594 -11.7806 -11.7806 -11.6101 -11.6101 -11.5598 -11.5598 -11.5481 -11.5481 -11.4998 -11.4998 -11.4867 -11.4867 -9.7729 -9.7729 -8.2787 -8.2787 1.5574 1.5574 2.6137 2.6137 3.6601 3.6601 4.6830 4.6830 5.4440 5.4440 5.5154 5.5154 6.8341 6.8341 9.0196 9.0196 11.8295 11.8295 12.9015 12.9015 13.4085 13.4085 13.8147 13.8147 k = 0.2069 0.2069-0.0000 ( 2753 PWs) bands (ev): -12.7219 -12.7219 -12.5882 -12.5882 -12.5626 -12.5626 -12.5587 -12.5587 -11.7796 -11.7796 -11.6057 -11.6057 -11.5609 -11.5609 -11.5485 -11.5485 -11.5008 -11.5008 -11.4872 -11.4872 -9.8126 -9.8126 -8.2554 -8.2554 1.5962 1.5962 2.6695 2.6695 3.6348 3.6348 4.5999 4.5999 5.4724 5.4724 5.5288 5.5288 6.8188 6.8188 9.0710 9.0710 11.9289 11.9289 12.9376 12.9376 13.3724 13.3724 13.7937 13.7937 k = 0.1983 0.1983-0.0000 ( 2753 PWs) bands (ev): -12.7222 -12.7222 -12.5871 -12.5871 -12.5631 -12.5631 -12.5577 -12.5577 -11.7785 -11.7785 -11.6012 -11.6012 -11.5621 -11.5621 -11.5488 -11.5488 -11.5017 -11.5017 -11.4877 -11.4877 -9.8518 -9.8518 -8.2325 -8.2325 1.6343 1.6343 2.7200 2.7200 3.6114 3.6114 4.5190 4.5190 5.4935 5.4935 5.5576 5.5576 6.8035 6.8035 9.1201 9.1201 12.0292 12.0292 12.9441 12.9441 13.3476 13.3476 13.7913 13.7913 k = 0.1897 0.1897-0.0000 ( 2753 PWs) bands (ev): -12.7226 -12.7226 -12.5865 -12.5865 -12.5636 -12.5636 -12.5563 -12.5563 -11.7773 -11.7773 -11.5966 -11.5966 -11.5632 -11.5632 -11.5492 -11.5492 -11.5026 -11.5026 -11.4881 -11.4881 -9.8902 -9.8902 -8.2099 -8.2099 1.6715 1.6715 2.7649 2.7649 3.5899 3.5899 4.4404 4.4404 5.5149 5.5149 5.5940 5.5940 6.7882 6.7882 9.1668 9.1668 12.1297 12.1297 12.9196 12.9196 13.3353 13.3353 13.8086 13.8086 k = 0.1810 0.1810-0.0000 ( 2751 PWs) bands (ev): -12.7230 -12.7230 -12.5861 -12.5861 -12.5642 -12.5642 -12.5547 -12.5547 -11.7759 -11.7759 -11.5921 -11.5921 -11.5643 -11.5643 -11.5495 -11.5495 -11.5033 -11.5033 -11.4884 -11.4884 -9.9278 -9.9278 -8.1876 -8.1876 1.7077 1.7077 2.8043 2.8043 3.5705 3.5705 4.3643 4.3643 5.5413 5.5413 5.6331 5.6331 6.7730 6.7730 9.2108 9.2108 12.2297 12.2297 12.8713 12.8713 13.3309 13.3309 13.8445 13.8445 k = 0.1724 0.1724-0.0000 ( 2747 PWs) bands (ev): -12.7233 -12.7233 -12.5860 -12.5860 -12.5648 -12.5648 -12.5529 -12.5529 -11.7745 -11.7745 -11.5876 -11.5876 -11.5652 -11.5652 -11.5498 -11.5498 -11.5040 -11.5040 -11.4887 -11.4887 -9.9646 -9.9646 -8.1659 -8.1659 1.7426 1.7426 2.8381 2.8381 3.5532 3.5532 4.2907 4.2907 5.5740 5.5740 5.6731 5.6731 6.7578 6.7578 9.2517 9.2517 12.3271 12.3271 12.8099 12.8099 13.3295 13.3295 13.8959 13.8959 k = 0.1638 0.1638-0.0000 ( 2735 PWs) bands (ev): -12.7237 -12.7237 -12.5860 -12.5860 -12.5653 -12.5653 -12.5510 -12.5510 -11.7729 -11.7729 -11.5833 -11.5833 -11.5660 -11.5660 -11.5501 -11.5501 -11.5046 -11.5046 -11.4889 -11.4889 -10.0004 -10.0004 -8.1446 -8.1446 1.7762 1.7762 2.8665 2.8665 3.5379 3.5379 4.2198 4.2198 5.6129 5.6129 5.7134 5.7134 6.7427 6.7427 9.2895 9.2895 12.4158 12.4158 12.7482 12.7482 13.3292 13.3292 13.9585 13.9585 k = 0.1552 0.1552-0.0000 ( 2731 PWs) bands (ev): -12.7241 -12.7241 -12.5863 -12.5863 -12.5659 -12.5659 -12.5490 -12.5490 -11.7714 -11.7714 -11.5794 -11.5794 -11.5664 -11.5664 -11.5503 -11.5503 -11.5050 -11.5050 -11.4891 -11.4891 -10.0352 -10.0352 -8.1240 -8.1240 1.8083 1.8083 2.8899 2.8899 3.5248 3.5248 4.1518 4.1518 5.6576 5.6576 5.7537 5.7537 6.7277 6.7277 9.3238 9.3238 12.4740 12.4740 12.7118 12.7118 13.3301 13.3301 14.0282 14.0282 k = 0.1466 0.1466-0.0000 ( 2729 PWs) bands (ev): -12.7244 -12.7244 -12.5866 -12.5866 -12.5665 -12.5665 -12.5471 -12.5471 -11.7698 -11.7698 -11.5763 -11.5763 -11.5660 -11.5660 -11.5504 -11.5504 -11.5054 -11.5054 -11.4891 -11.4891 -10.0688 -10.0688 -8.1040 -8.1040 1.8387 1.8387 2.9086 2.9086 3.5137 3.5137 4.0868 4.0868 5.7072 5.7072 5.7940 5.7940 6.7128 6.7128 9.3546 9.3546 12.4630 12.4630 12.7421 12.7421 13.3333 13.3333 14.1017 14.1017 k = 0.1379 0.1379-0.0000 ( 2729 PWs) bands (ev): -12.7248 -12.7248 -12.5870 -12.5870 -12.5670 -12.5670 -12.5451 -12.5451 -11.7681 -11.7681 -11.5747 -11.5747 -11.5644 -11.5644 -11.5503 -11.5503 -11.5057 -11.5057 -11.4890 -11.4890 -10.1013 -10.1013 -8.0847 -8.0847 1.8673 1.8673 2.9231 2.9231 3.5046 3.5046 4.0249 4.0249 5.7606 5.7606 5.8346 5.8346 6.6980 6.6980 9.3817 9.3817 12.4010 12.4010 12.8219 12.8219 13.3399 13.3399 14.1759 14.1759 k = 0.1293 0.1293-0.0000 ( 2725 PWs) bands (ev): -12.7251 -12.7251 -12.5874 -12.5874 -12.5675 -12.5675 -12.5432 -12.5432 -11.7665 -11.7665 -11.5743 -11.5743 -11.5619 -11.5619 -11.5500 -11.5500 -11.5060 -11.5060 -11.4888 -11.4888 -10.1324 -10.1324 -8.0663 -8.0663 1.8941 1.8941 2.9339 2.9339 3.4975 3.4975 3.9663 3.9663 5.8158 5.8158 5.8762 5.8762 6.6833 6.6833 9.4051 9.4051 12.3226 12.3226 12.9176 12.9176 13.3510 13.3510 14.2475 14.2475 k = 0.1207 0.1207-0.0000 ( 2735 PWs) bands (ev): -12.7254 -12.7254 -12.5878 -12.5878 -12.5680 -12.5680 -12.5414 -12.5414 -11.7649 -11.7649 -11.5746 -11.5746 -11.5592 -11.5592 -11.5492 -11.5492 -11.5061 -11.5061 -11.4884 -11.4884 -10.1621 -10.1621 -8.0487 -8.0487 1.9189 1.9189 2.9414 2.9414 3.4922 3.4922 3.9111 3.9111 5.8696 5.8696 5.9210 5.9210 6.6688 6.6688 9.4250 9.4250 12.2395 12.2395 13.0174 13.0174 13.3676 13.3676 14.3126 14.3126 k = 0.1121 0.1121-0.0000 ( 2741 PWs) bands (ev): -12.7257 -12.7257 -12.5883 -12.5883 -12.5685 -12.5685 -12.5397 -12.5397 -11.7634 -11.7634 -11.5752 -11.5752 -11.5573 -11.5573 -11.5476 -11.5476 -11.5062 -11.5062 -11.4878 -11.4878 -10.1903 -10.1903 -8.0320 -8.0320 1.9417 1.9417 2.9462 2.9462 3.4884 3.4884 3.8593 3.8593 5.9176 5.9176 5.9723 5.9723 6.6544 6.6544 9.4413 9.4413 12.1558 12.1558 13.1167 13.1167 13.3912 13.3912 14.3648 14.3648 k = 0.1034 0.1034-0.0000 ( 2739 PWs) bands (ev): -12.7260 -12.7260 -12.5888 -12.5888 -12.5689 -12.5689 -12.5380 -12.5380 -11.7619 -11.7619 -11.5758 -11.5758 -11.5562 -11.5562 -11.5453 -11.5453 -11.5063 -11.5063 -11.4870 -11.4870 -10.2170 -10.2170 -8.0163 -8.0163 1.9626 1.9626 2.9487 2.9487 3.4861 3.4861 3.8112 3.8112 5.9588 5.9588 6.0300 6.0300 6.6402 6.6402 9.4545 9.4545 12.0733 12.0733 13.2116 13.2116 13.4240 13.4240 14.3964 14.3964 k = 0.0948 0.0948-0.0000 ( 2731 PWs) bands (ev): -12.7263 -12.7263 -12.5892 -12.5892 -12.5693 -12.5693 -12.5365 -12.5365 -11.7604 -11.7604 -11.5765 -11.5765 -11.5556 -11.5556 -11.5426 -11.5426 -11.5063 -11.5063 -11.4859 -11.4859 -10.2420 -10.2420 -8.0017 -8.0017 1.9814 1.9814 2.9495 2.9495 3.4849 3.4849 3.7669 3.7669 5.9954 5.9954 6.0907 6.0907 6.6262 6.6262 9.4646 9.4646 11.9933 11.9933 13.2969 13.2969 13.4701 13.4701 14.4041 14.4041 k = 0.0862 0.0862-0.0000 ( 2731 PWs) bands (ev): -12.7266 -12.7266 -12.5897 -12.5897 -12.5697 -12.5697 -12.5351 -12.5351 -11.7591 -11.7591 -11.5772 -11.5772 -11.5554 -11.5554 -11.5399 -11.5399 -11.5063 -11.5063 -11.4846 -11.4846 -10.2652 -10.2652 -7.9881 -7.9881 1.9982 1.9982 2.9489 2.9489 3.4846 3.4846 3.7266 3.7266 6.0290 6.0290 6.1516 6.1516 6.6125 6.6125 9.4720 9.4720 11.9168 11.9168 13.3678 13.3678 13.5330 13.5330 14.3939 14.3939 k = 0.0776 0.0776-0.0000 ( 2735 PWs) bands (ev): -12.7268 -12.7268 -12.5901 -12.5901 -12.5701 -12.5701 -12.5338 -12.5338 -11.7578 -11.7578 -11.5778 -11.5778 -11.5553 -11.5553 -11.5374 -11.5374 -11.5064 -11.5064 -11.4831 -11.4831 -10.2865 -10.2865 -7.9757 -7.9757 2.0131 2.0131 2.9473 2.9473 3.4847 3.4847 3.6904 3.6904 6.0603 6.0603 6.2108 6.2108 6.5992 6.5992 9.4771 9.4771 11.8446 11.8446 13.4253 13.4253 13.6100 13.6100 14.3738 14.3738 k = 0.0690 0.0690-0.0000 ( 2727 PWs) bands (ev): -12.7271 -12.7271 -12.5905 -12.5905 -12.5704 -12.5704 -12.5326 -12.5326 -11.7567 -11.7567 -11.5784 -11.5784 -11.5554 -11.5554 -11.5351 -11.5351 -11.5064 -11.5064 -11.4815 -11.4815 -10.3060 -10.3060 -7.9644 -7.9644 2.0262 2.0262 2.9451 2.9451 3.4850 3.4850 3.6586 3.6586 6.0894 6.0894 6.2670 6.2670 6.5864 6.5864 9.4802 9.4802 11.7775 11.7775 13.4755 13.4755 13.6930 13.6930 14.3493 14.3493 k = 0.0603 0.0603-0.0000 ( 2727 PWs) bands (ev): -12.7273 -12.7273 -12.5908 -12.5908 -12.5706 -12.5706 -12.5316 -12.5316 -11.7556 -11.7556 -11.5789 -11.5789 -11.5554 -11.5554 -11.5331 -11.5331 -11.5065 -11.5065 -11.4797 -11.4797 -10.3233 -10.3233 -7.9544 -7.9544 2.0374 2.0374 2.9425 2.9425 3.4850 3.4850 3.6313 3.6313 6.1163 6.1163 6.3189 6.3189 6.5745 6.5745 9.4818 9.4818 11.7162 11.7162 13.5228 13.5228 13.7750 13.7750 14.3237 14.3237 k = 0.0517 0.0517-0.0000 ( 2725 PWs) bands (ev): -12.7274 -12.7274 -12.5911 -12.5911 -12.5709 -12.5709 -12.5307 -12.5307 -11.7547 -11.7547 -11.5794 -11.5794 -11.5555 -11.5555 -11.5315 -11.5315 -11.5065 -11.5065 -11.4780 -11.4780 -10.3386 -10.3386 -7.9456 -7.9456 2.0470 2.0470 2.9397 2.9397 3.4842 3.4842 3.6089 3.6089 6.1408 6.1408 6.3654 6.3654 6.5637 6.5637 9.4823 9.4823 11.6613 11.6613 13.5692 13.5692 13.8507 13.8507 14.2993 14.2993 k = 0.0431 0.0431-0.0000 ( 2723 PWs) bands (ev): -12.7276 -12.7276 -12.5914 -12.5914 -12.5711 -12.5711 -12.5299 -12.5299 -11.7539 -11.7539 -11.5798 -11.5798 -11.5555 -11.5555 -11.5301 -11.5301 -11.5066 -11.5066 -11.4763 -11.4763 -10.3517 -10.3517 -7.9381 -7.9381 2.0549 2.0549 2.9371 2.9371 3.4824 3.4824 3.5915 3.5915 6.1627 6.1627 6.4051 6.4051 6.5548 6.5548 9.4819 9.4819 11.6136 11.6136 13.6146 13.6146 13.9152 13.9152 14.2789 14.2789 k = 0.0345 0.0345-0.0000 ( 2729 PWs) bands (ev): -12.7277 -12.7277 -12.5916 -12.5916 -12.5713 -12.5713 -12.5293 -12.5293 -11.7533 -11.7533 -11.5801 -11.5801 -11.5556 -11.5556 -11.5290 -11.5290 -11.5067 -11.5067 -11.4748 -11.4748 -10.3625 -10.3625 -7.9319 -7.9319 2.0613 2.0613 2.9347 2.9347 3.4796 3.4796 3.5788 3.5788 6.1816 6.1816 6.4367 6.4367 6.5486 6.5486 9.4811 9.4811 11.5736 11.5736 13.6583 13.6583 13.9635 13.9635 14.2657 14.2657 k = 0.0259 0.0259-0.0000 ( 2727 PWs) bands (ev): -12.7278 -12.7278 -12.5918 -12.5918 -12.5714 -12.5714 -12.5288 -12.5288 -11.7528 -11.7528 -11.5804 -11.5804 -11.5557 -11.5557 -11.5282 -11.5282 -11.5068 -11.5068 -11.4735 -11.4735 -10.3709 -10.3709 -7.9271 -7.9271 2.0661 2.0661 2.9327 2.9327 3.4762 3.4762 3.5703 3.5703 6.1971 6.1971 6.4587 6.4587 6.5464 6.5464 9.4802 9.4802 11.5420 11.5420 13.6985 13.6985 13.9919 13.9919 14.2624 14.2624 k = 0.0172 0.0172-0.0000 ( 2717 PWs) bands (ev): -12.7279 -12.7279 -12.5919 -12.5919 -12.5715 -12.5715 -12.5284 -12.5284 -11.7524 -11.7524 -11.5806 -11.5806 -11.5557 -11.5557 -11.5276 -11.5276 -11.5068 -11.5068 -11.4726 -11.4726 -10.3770 -10.3770 -7.9237 -7.9237 2.0696 2.0696 2.9312 2.9312 3.4729 3.4729 3.5651 3.5651 6.2086 6.2086 6.4712 6.4712 6.5481 6.5481 9.4794 9.4794 11.5190 11.5190 13.7326 13.7326 14.0020 14.0020 14.2674 14.2674 k = 0.0086 0.0086-0.0000 ( 2713 PWs) bands (ev): -12.7279 -12.7279 -12.5920 -12.5920 -12.5716 -12.5716 -12.5282 -12.5282 -11.7522 -11.7522 -11.5807 -11.5807 -11.5557 -11.5557 -11.5273 -11.5273 -11.5068 -11.5068 -11.4720 -11.4720 -10.3807 -10.3807 -7.9216 -7.9216 2.0716 2.0716 2.9302 2.9302 3.4706 3.4706 3.5624 3.5624 6.2158 6.2158 6.4764 6.4764 6.5512 6.5512 9.4788 9.4788 11.5051 11.5051 13.7564 13.7564 14.0017 14.0017 14.2745 14.2745 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -12.7280 -12.7280 -12.5920 -12.5920 -12.5716 -12.5716 -12.5281 -12.5281 -11.7521 -11.7521 -11.5807 -11.5807 -11.5557 -11.5557 -11.5272 -11.5272 -11.5069 -11.5069 -11.4718 -11.4718 -10.3819 -10.3819 -7.9209 -7.9209 2.0723 2.0723 2.9299 2.9299 3.4698 3.4698 3.5616 3.5616 6.2182 6.2182 6.4777 6.4777 6.5527 6.5527 9.4786 9.4786 11.5004 11.5004 13.7651 13.7651 14.0002 14.0002 14.2777 14.2777 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -12.7280 -12.7280 -12.5920 -12.5920 -12.5716 -12.5716 -12.5281 -12.5281 -11.7521 -11.7521 -11.5807 -11.5807 -11.5557 -11.5557 -11.5272 -11.5272 -11.5069 -11.5069 -11.4718 -11.4718 -10.3819 -10.3819 -7.9209 -7.9209 2.0723 2.0723 2.9299 2.9299 3.4698 3.4698 3.5616 3.5616 6.2182 6.2182 6.4777 6.4777 6.5527 6.5527 9.4786 9.4786 11.5004 11.5004 13.7651 13.7651 14.0002 14.0002 14.2777 14.2777 k = 0.0000 0.0000 0.0119 ( 2713 PWs) bands (ev): -12.7280 -12.7280 -12.5920 -12.5920 -12.5716 -12.5716 -12.5281 -12.5281 -11.7521 -11.7521 -11.5807 -11.5807 -11.5557 -11.5557 -11.5272 -11.5272 -11.5069 -11.5069 -11.4718 -11.4718 -10.3818 -10.3818 -7.9209 -7.9209 2.0607 2.0607 2.9437 2.9437 3.4701 3.4701 3.5618 3.5618 6.2181 6.2181 6.4777 6.4777 6.5527 6.5527 9.4767 9.4767 11.4975 11.4975 13.7641 13.7641 13.9915 13.9915 14.2678 14.2678 k = 0.0000 0.0000 0.0238 ( 2729 PWs) bands (ev): -12.7279 -12.7279 -12.5920 -12.5920 -12.5715 -12.5715 -12.5282 -12.5282 -11.7522 -11.7522 -11.5806 -11.5806 -11.5557 -11.5557 -11.5272 -11.5272 -11.5069 -11.5069 -11.4720 -11.4720 -10.3816 -10.3816 -7.9209 -7.9209 2.0280 2.0280 2.9829 2.9829 3.4710 3.4710 3.5625 3.5625 6.2176 6.2176 6.4776 6.4776 6.5526 6.5526 9.4710 9.4710 11.4888 11.4888 13.7600 13.7600 13.9679 13.9679 14.2392 14.2392 k = 0.0000 0.0000 0.0358 ( 2725 PWs) bands (ev): -12.7279 -12.7279 -12.5919 -12.5919 -12.5714 -12.5714 -12.5283 -12.5283 -11.7523 -11.7523 -11.5805 -11.5805 -11.5556 -11.5556 -11.5272 -11.5272 -11.5069 -11.5069 -11.4722 -11.4722 -10.3812 -10.3812 -7.9209 -7.9209 1.9789 1.9789 3.0426 3.0426 3.4726 3.4726 3.5637 3.5637 6.2168 6.2168 6.4774 6.4774 6.5524 6.5524 9.4615 9.4615 11.4747 11.4747 13.7487 13.7487 13.9367 13.9367 14.1949 14.1949 k = 0.0000 0.0000 0.0477 ( 2725 PWs) bands (ev): -12.7279 -12.7279 -12.5918 -12.5918 -12.5713 -12.5713 -12.5284 -12.5284 -11.7524 -11.7524 -11.5803 -11.5803 -11.5555 -11.5555 -11.5273 -11.5273 -11.5069 -11.5069 -11.4725 -11.4725 -10.3807 -10.3807 -7.9209 -7.9209 1.9187 1.9187 3.1177 3.1177 3.4749 3.4749 3.5653 3.5653 6.2158 6.2158 6.4771 6.4771 6.5522 6.5522 9.4479 9.4479 11.4559 11.4559 13.7239 13.7239 13.9083 13.9083 14.1385 14.1385 k = 0.0000 0.0000 0.0596 ( 2725 PWs) bands (ev): -12.7279 -12.7279 -12.5917 -12.5917 -12.5711 -12.5711 -12.5285 -12.5285 -11.7525 -11.7525 -11.5800 -11.5800 -11.5554 -11.5554 -11.5273 -11.5273 -11.5069 -11.5069 -11.4729 -11.4729 -10.3801 -10.3801 -7.9209 -7.9209 1.8515 1.8515 3.2037 3.2037 3.4782 3.4782 3.5673 3.5673 6.2144 6.2144 6.4767 6.4767 6.5520 6.5520 9.4300 9.4300 11.4330 11.4330 13.6808 13.6808 13.8903 13.8903 14.0733 14.0733 k = 0.0000 0.0000 0.0715 ( 2725 PWs) bands (ev): -12.7278 -12.7278 -12.5916 -12.5916 -12.5709 -12.5709 -12.5287 -12.5287 -11.7527 -11.7527 -11.5797 -11.5797 -11.5553 -11.5553 -11.5274 -11.5274 -11.5069 -11.5069 -11.4734 -11.4734 -10.3793 -10.3793 -7.9210 -7.9210 1.7802 1.7802 3.2967 3.2967 3.4832 3.4832 3.5697 3.5697 6.2128 6.2128 6.4763 6.4763 6.5517 6.5517 9.4077 9.4077 11.4070 11.4070 13.6221 13.6221 13.8819 13.8819 14.0022 14.0022 k = 0.0000 0.0000 0.0834 ( 2725 PWs) bands (ev): -12.7278 -12.7278 -12.5915 -12.5915 -12.5706 -12.5706 -12.5288 -12.5288 -11.7528 -11.7528 -11.5794 -11.5794 -11.5551 -11.5551 -11.5275 -11.5275 -11.5070 -11.5070 -11.4740 -11.4740 -10.3784 -10.3784 -7.9210 -7.9210 1.7070 1.7070 3.3908 3.3908 3.4940 3.4940 3.5725 3.5725 6.2109 6.2109 6.4758 6.4758 6.5513 6.5513 9.3807 9.3807 11.3788 11.3788 13.5538 13.5538 13.8782 13.8782 13.9274 13.9274 k = 0.0000 0.0000 0.0953 ( 2713 PWs) bands (ev): -12.7277 -12.7277 -12.5913 -12.5913 -12.5703 -12.5703 -12.5291 -12.5291 -11.7530 -11.7530 -11.5790 -11.5790 -11.5549 -11.5549 -11.5276 -11.5276 -11.5070 -11.5070 -11.4747 -11.4747 -10.3774 -10.3774 -7.9210 -7.9210 1.6332 1.6332 3.4578 3.4578 3.5372 3.5372 3.5757 3.5757 6.2088 6.2088 6.4752 6.4752 6.5509 6.5509 9.3486 9.3486 11.3494 11.3494 13.4804 13.4804 13.8504 13.8504 13.8752 13.8752 k = 0.0000 0.0000 0.1073 ( 2725 PWs) bands (ev): -12.7276 -12.7276 -12.5911 -12.5911 -12.5700 -12.5700 -12.5293 -12.5293 -11.7533 -11.7533 -11.5786 -11.5786 -11.5547 -11.5547 -11.5276 -11.5276 -11.5070 -11.5070 -11.4755 -11.4755 -10.3763 -10.3763 -7.9210 -7.9210 1.5597 1.5597 3.4767 3.4767 3.5793 3.5793 3.6329 3.6329 6.2064 6.2064 6.4746 6.4746 6.5504 6.5504 9.3112 9.3112 11.3197 11.3197 13.4046 13.4046 13.7725 13.7725 13.8701 13.8701 k = 0.0000 0.0000 0.1192 ( 2717 PWs) bands (ev): -12.7276 -12.7276 -12.5910 -12.5910 -12.5697 -12.5697 -12.5296 -12.5296 -11.7535 -11.7535 -11.5781 -11.5781 -11.5544 -11.5544 -11.5277 -11.5277 -11.5071 -11.5071 -11.4763 -11.4763 -10.3751 -10.3751 -7.9210 -7.9210 1.4872 1.4872 3.4846 3.4846 3.5831 3.5831 3.7431 3.7431 6.2039 6.2039 6.4738 6.4738 6.5499 6.5499 9.2683 9.2683 11.2906 11.2906 13.3282 13.3282 13.6947 13.6947 13.8614 13.8614 k = 0.0000 0.0000 0.1311 ( 2721 PWs) bands (ev): -12.7275 -12.7275 -12.5908 -12.5908 -12.5693 -12.5693 -12.5299 -12.5299 -11.7538 -11.7538 -11.5776 -11.5776 -11.5541 -11.5541 -11.5278 -11.5278 -11.5071 -11.5071 -11.4772 -11.4772 -10.3738 -10.3738 -7.9211 -7.9211 1.4162 1.4162 3.4906 3.4906 3.5873 3.5873 3.8583 3.8583 6.2011 6.2011 6.4731 6.4731 6.5494 6.5494 9.2197 9.2197 11.2629 11.2629 13.2521 13.2521 13.6175 13.6175 13.8479 13.8479 k = 0.0000 0.0000 0.1430 ( 2721 PWs) bands (ev): -12.7274 -12.7274 -12.5905 -12.5905 -12.5689 -12.5689 -12.5302 -12.5302 -11.7540 -11.7540 -11.5771 -11.5771 -11.5537 -11.5537 -11.5280 -11.5280 -11.5072 -11.5072 -11.4782 -11.4782 -10.3724 -10.3724 -7.9211 -7.9211 1.3472 1.3472 3.4961 3.4961 3.5917 3.5917 3.9765 3.9765 6.1983 6.1983 6.4723 6.4723 6.5488 6.5488 9.1653 9.1653 11.2373 11.2373 13.1771 13.1771 13.5417 13.5417 13.8291 13.8291 k = 0.0000 0.0000 0.1549 ( 2733 PWs) bands (ev): -12.7273 -12.7273 -12.5903 -12.5903 -12.5684 -12.5684 -12.5305 -12.5305 -11.7543 -11.7543 -11.5766 -11.5766 -11.5533 -11.5533 -11.5281 -11.5281 -11.5072 -11.5072 -11.4792 -11.4792 -10.3710 -10.3710 -7.9211 -7.9211 1.2803 1.2803 3.5015 3.5015 3.5962 3.5962 4.0971 4.0971 6.1953 6.1953 6.4714 6.4714 6.5482 6.5482 9.1049 9.1049 11.2142 11.2142 13.1039 13.1039 13.4677 13.4677 13.8048 13.8048 k = 0.0000 0.0000 0.1668 ( 2732 PWs) bands (ev): -12.7272 -12.7272 -12.5901 -12.5901 -12.5680 -12.5680 -12.5309 -12.5309 -11.7546 -11.7546 -11.5761 -11.5761 -11.5529 -11.5529 -11.5282 -11.5282 -11.5072 -11.5072 -11.4803 -11.4803 -10.3695 -10.3695 -7.9212 -7.9212 1.2157 1.2157 3.5069 3.5069 3.6010 3.6010 4.2195 4.2195 6.1922 6.1922 6.4705 6.4705 6.5475 6.5475 9.0388 9.0388 11.1941 11.1941 13.0327 13.0327 13.3957 13.3957 13.7752 13.7752 k = 0.0000 0.0000 0.1788 ( 2732 PWs) bands (ev): -12.7272 -12.7272 -12.5899 -12.5899 -12.5675 -12.5675 -12.5312 -12.5312 -11.7549 -11.7549 -11.5756 -11.5756 -11.5524 -11.5524 -11.5283 -11.5283 -11.5073 -11.5073 -11.4815 -11.4815 -10.3679 -10.3679 -7.9212 -7.9212 1.1538 1.1538 3.5124 3.5124 3.6059 3.6059 4.3434 4.3434 6.1890 6.1890 6.4695 6.4695 6.5469 6.5469 8.9669 8.9669 11.1772 11.1772 12.9641 12.9641 13.3261 13.3261 13.7406 13.7406 k = 0.0000 0.0000 0.1907 ( 2732 PWs) bands (ev): -12.7271 -12.7271 -12.5896 -12.5896 -12.5670 -12.5670 -12.5316 -12.5316 -11.7552 -11.7552 -11.5751 -11.5751 -11.5518 -11.5518 -11.5284 -11.5284 -11.5073 -11.5073 -11.4827 -11.4827 -10.3664 -10.3664 -7.9212 -7.9212 1.0946 1.0946 3.5178 3.5178 3.6109 3.6109 4.4685 4.4685 6.1858 6.1858 6.4685 6.4685 6.5462 6.5462 8.8896 8.8896 11.1636 11.1636 12.8982 12.8982 13.2592 13.2592 13.7017 13.7017 k = 0.0000 0.0000 0.2026 ( 2740 PWs) bands (ev): -12.7270 -12.7270 -12.5894 -12.5894 -12.5665 -12.5665 -12.5320 -12.5320 -11.7556 -11.7556 -11.5746 -11.5746 -11.5512 -11.5512 -11.5286 -11.5286 -11.5074 -11.5074 -11.4840 -11.4840 -10.3648 -10.3648 -7.9213 -7.9213 1.0382 1.0382 3.5233 3.5233 3.6159 3.6159 4.5946 4.5946 6.1826 6.1826 6.4676 6.4676 6.5455 6.5455 8.8071 8.8071 11.1532 11.1532 12.8352 12.8352 13.1952 13.1952 13.6591 13.6591 k = 0.0000 0.0000 0.2145 ( 2736 PWs) bands (ev): -12.7269 -12.7269 -12.5891 -12.5891 -12.5660 -12.5660 -12.5325 -12.5325 -11.7559 -11.7559 -11.5741 -11.5741 -11.5505 -11.5505 -11.5287 -11.5287 -11.5074 -11.5074 -11.4853 -11.4853 -10.3633 -10.3633 -7.9213 -7.9213 0.9849 0.9849 3.5287 3.5287 3.6209 3.6209 4.7215 4.7215 6.1794 6.1794 6.4666 6.4666 6.5448 6.5448 8.7199 8.7199 11.1461 11.1461 12.7754 12.7754 13.1343 13.1343 13.6138 13.6138 k = 0.0000 0.0000 0.2264 ( 2728 PWs) bands (ev): -12.7268 -12.7268 -12.5889 -12.5889 -12.5654 -12.5654 -12.5329 -12.5329 -11.7562 -11.7562 -11.5737 -11.5737 -11.5498 -11.5498 -11.5288 -11.5288 -11.5074 -11.5074 -11.4866 -11.4866 -10.3618 -10.3618 -7.9213 -7.9213 0.9346 0.9346 3.5341 3.5341 3.6258 3.6258 4.8489 4.8489 6.1763 6.1763 6.4655 6.4655 6.5441 6.5441 8.6283 8.6283 11.1418 11.1418 12.7190 12.7190 13.0766 13.0766 13.5664 13.5664 k = 0.0000 0.0000 0.2383 ( 2728 PWs) bands (ev): -12.7267 -12.7267 -12.5887 -12.5887 -12.5649 -12.5649 -12.5333 -12.5333 -11.7565 -11.7565 -11.5733 -11.5733 -11.5490 -11.5490 -11.5290 -11.5290 -11.5075 -11.5075 -11.4879 -11.4879 -10.3603 -10.3603 -7.9214 -7.9214 0.8874 0.8874 3.5394 3.5394 3.6307 3.6307 4.9765 4.9765 6.1732 6.1732 6.4645 6.4645 6.5434 6.5434 8.5328 8.5328 11.1403 11.1403 12.6661 12.6661 13.0223 13.0223 13.5179 13.5179 k = 0.0000 0.0000 0.2503 ( 2728 PWs) bands (ev): -12.7266 -12.7266 -12.5884 -12.5884 -12.5644 -12.5644 -12.5337 -12.5337 -11.7568 -11.7568 -11.5729 -11.5729 -11.5482 -11.5482 -11.5291 -11.5291 -11.5075 -11.5075 -11.4892 -11.4892 -10.3588 -10.3588 -7.9214 -7.9214 0.8435 0.8435 3.5444 3.5444 3.6354 3.6354 5.1039 5.1039 6.1703 6.1703 6.4636 6.4636 6.5427 6.5427 8.4340 8.4340 11.1411 11.1411 12.6167 12.6167 12.9716 12.9716 13.4690 13.4690 k = 0.0000 0.0000 0.2622 ( 2720 PWs) bands (ev): -12.7266 -12.7266 -12.5882 -12.5882 -12.5639 -12.5639 -12.5341 -12.5341 -11.7570 -11.7570 -11.5725 -11.5725 -11.5473 -11.5473 -11.5292 -11.5292 -11.5075 -11.5075 -11.4905 -11.4905 -10.3574 -10.3574 -7.9214 -7.9214 0.8029 0.8029 3.5493 3.5493 3.6399 3.6399 5.2310 5.2310 6.1674 6.1674 6.4626 6.4626 6.5420 6.5420 8.3324 8.3324 11.1440 11.1440 12.5712 12.5712 12.9245 12.9245 13.4206 13.4206 k = 0.0000 0.0000 0.2741 ( 2724 PWs) bands (ev): -12.7265 -12.7265 -12.5880 -12.5880 -12.5634 -12.5634 -12.5346 -12.5346 -11.7573 -11.7573 -11.5722 -11.5722 -11.5464 -11.5464 -11.5293 -11.5293 -11.5076 -11.5076 -11.4919 -11.4919 -10.3561 -10.3561 -7.9214 -7.9214 0.7656 0.7656 3.5539 3.5539 3.6442 3.6442 5.3571 5.3571 6.1648 6.1648 6.4617 6.4617 6.5414 6.5414 8.2287 8.2287 11.1485 11.1485 12.5295 12.5295 12.8811 12.8811 13.3734 13.3734 k = 0.0000 0.0000 0.2860 ( 2732 PWs) bands (ev): -12.7264 -12.7264 -12.5878 -12.5878 -12.5629 -12.5629 -12.5350 -12.5350 -11.7575 -11.7575 -11.5719 -11.5719 -11.5456 -11.5456 -11.5294 -11.5294 -11.5076 -11.5076 -11.4931 -11.4931 -10.3549 -10.3549 -7.9215 -7.9215 0.7317 0.7317 3.5582 3.5582 3.6482 3.6482 5.4818 5.4818 6.1623 6.1623 6.4608 6.4608 6.5408 6.5408 8.1237 8.1237 11.1542 11.1542 12.4916 12.4916 12.8416 12.8416 13.3281 13.3281 k = 0.0000 0.0000 0.2979 ( 2724 PWs) bands (ev): -12.7264 -12.7264 -12.5876 -12.5876 -12.5624 -12.5624 -12.5353 -12.5353 -11.7578 -11.7578 -11.5717 -11.5717 -11.5447 -11.5447 -11.5295 -11.5295 -11.5076 -11.5076 -11.4943 -11.4943 -10.3537 -10.3537 -7.9215 -7.9215 0.7013 0.7013 3.5622 3.5622 3.6519 3.6519 5.6044 5.6044 6.1600 6.1600 6.4599 6.4599 6.5402 6.5402 8.0182 8.0182 11.1607 11.1607 12.4578 12.4578 12.8061 12.8061 13.2854 13.2854 k = 0.0000 0.0000 0.3099 ( 2724 PWs) bands (ev): -12.7263 -12.7263 -12.5875 -12.5875 -12.5620 -12.5620 -12.5357 -12.5357 -11.7580 -11.7580 -11.5715 -11.5715 -11.5439 -11.5439 -11.5296 -11.5296 -11.5076 -11.5076 -11.4955 -11.4955 -10.3527 -10.3527 -7.9215 -7.9215 0.6743 0.6743 3.5658 3.5658 3.6553 3.6553 5.7240 5.7240 6.1579 6.1579 6.4591 6.4591 6.5397 6.5397 7.9134 7.9134 11.1677 11.1677 12.4280 12.4280 12.7745 12.7745 13.2459 13.2459 k = 0.0000 0.0000 0.3218 ( 2724 PWs) bands (ev): -12.7262 -12.7262 -12.5873 -12.5873 -12.5616 -12.5616 -12.5360 -12.5360 -11.7581 -11.7581 -11.5713 -11.5713 -11.5431 -11.5431 -11.5297 -11.5297 -11.5076 -11.5076 -11.4965 -11.4965 -10.3518 -10.3518 -7.9215 -7.9215 0.6509 0.6509 3.5690 3.5690 3.6582 3.6582 5.8392 5.8392 6.1561 6.1561 6.4583 6.4583 6.5393 6.5393 7.8107 7.8107 11.1747 11.1747 12.4021 12.4021 12.7471 12.7471 13.2103 13.2103 k = 0.0000 0.0000 0.3337 ( 2732 PWs) bands (ev): -12.7262 -12.7262 -12.5872 -12.5872 -12.5612 -12.5612 -12.5363 -12.5363 -11.7583 -11.7583 -11.5711 -11.5711 -11.5423 -11.5423 -11.5298 -11.5298 -11.5077 -11.5077 -11.4975 -11.4975 -10.3510 -10.3510 -7.9216 -7.9216 0.6310 0.6310 3.5718 3.5718 3.6608 3.6608 5.9482 5.9482 6.1545 6.1545 6.4575 6.4575 6.5389 6.5389 7.7122 7.7122 11.1814 11.1814 12.3804 12.3804 12.7237 12.7237 13.1790 13.1790 k = 0.0000 0.0000 0.3456 ( 2732 PWs) bands (ev): -12.7262 -12.7262 -12.5871 -12.5871 -12.5610 -12.5610 -12.5366 -12.5366 -11.7584 -11.7584 -11.5710 -11.5710 -11.5417 -11.5417 -11.5298 -11.5298 -11.5077 -11.5077 -11.4983 -11.4983 -10.3504 -10.3504 -7.9216 -7.9216 0.6147 0.6147 3.5741 3.5741 3.6630 3.6630 6.0485 6.0485 6.1532 6.1532 6.4567 6.4567 6.5385 6.5385 7.6205 7.6205 11.1874 11.1874 12.3626 12.3626 12.7046 12.7046 13.1526 13.1526 k = 0.0000 0.0000 0.3575 ( 2740 PWs) bands (ev): -12.7261 -12.7261 -12.5870 -12.5870 -12.5607 -12.5607 -12.5368 -12.5368 -11.7585 -11.7585 -11.5709 -11.5709 -11.5412 -11.5412 -11.5299 -11.5299 -11.5077 -11.5077 -11.4990 -11.4990 -10.3499 -10.3499 -7.9216 -7.9216 0.6021 0.6021 3.5759 3.5759 3.6647 3.6647 6.1362 6.1362 6.1522 6.1522 6.4558 6.4558 6.5383 6.5383 7.5396 7.5396 11.1923 11.1923 12.3488 12.3488 12.6896 12.6896 13.1317 13.1317 k = 0.0000 0.0000 0.3694 ( 2724 PWs) bands (ev): -12.7261 -12.7261 -12.5870 -12.5870 -12.5606 -12.5606 -12.5369 -12.5369 -11.7586 -11.7586 -11.5709 -11.5709 -11.5408 -11.5408 -11.5299 -11.5299 -11.5077 -11.5077 -11.4994 -11.4994 -10.3495 -10.3495 -7.9216 -7.9216 0.5930 0.5930 3.5772 3.5772 3.6659 3.6659 6.1514 6.1514 6.2063 6.2063 6.4549 6.4549 6.5381 6.5381 7.4747 7.4747 11.1961 11.1961 12.3390 12.3390 12.6789 12.6789 13.1164 13.1164 k = 0.0000 0.0000 0.3814 ( 2724 PWs) bands (ev): -12.7261 -12.7261 -12.5869 -12.5869 -12.5605 -12.5605 -12.5370 -12.5370 -11.7587 -11.7587 -11.5708 -11.5708 -11.5406 -11.5406 -11.5299 -11.5299 -11.5077 -11.5077 -11.4997 -11.4997 -10.3493 -10.3493 -7.9216 -7.9216 0.5875 0.5875 3.5780 3.5780 3.6666 3.6666 6.1510 6.1510 6.2524 6.2524 6.4540 6.4540 6.5380 6.5380 7.4319 7.4319 11.1984 11.1984 12.3331 12.3331 12.6725 12.6725 13.1071 13.1071 k = 0.0000 0.0000 0.3933 ( 2724 PWs) bands (ev): -12.7261 -12.7261 -12.5869 -12.5869 -12.5604 -12.5604 -12.5370 -12.5370 -11.7587 -11.7587 -11.5708 -11.5708 -11.5405 -11.5405 -11.5299 -11.5299 -11.5077 -11.5077 -11.4998 -11.4998 -10.3492 -10.3492 -7.9216 -7.9216 0.5857 0.5857 3.5783 3.5783 3.6669 3.6669 6.1508 6.1508 6.2686 6.2686 6.4536 6.4536 6.5379 6.5379 7.4168 7.4168 11.1992 11.1992 12.3312 12.3312 12.6704 12.6704 13.1040 13.1040 k = 0.0000 0.0000 0.3933 ( 2724 PWs) bands (ev): -12.7261 -12.7261 -12.5869 -12.5869 -12.5604 -12.5604 -12.5370 -12.5370 -11.7587 -11.7587 -11.5708 -11.5708 -11.5405 -11.5405 -11.5299 -11.5299 -11.5077 -11.5077 -11.4998 -11.4998 -10.3492 -10.3492 -7.9216 -7.9216 0.5857 0.5857 3.5783 3.5783 3.6669 3.6669 6.1508 6.1508 6.2686 6.2686 6.4536 6.4536 6.5379 6.5379 7.4168 7.4168 11.1992 11.1992 12.3312 12.3312 12.6704 12.6704 13.1040 13.1040 k = 0.0000 0.0122 0.3933 ( 2722 PWs) bands (ev): -12.7261 -12.7261 -12.5869 -12.5869 -12.5604 -12.5604 -12.5371 -12.5371 -11.7587 -11.7587 -11.5708 -11.5708 -11.5405 -11.5405 -11.5300 -11.5300 -11.5076 -11.5076 -11.5000 -11.5000 -10.3480 -10.3480 -7.9223 -7.9223 0.5866 0.5866 3.5784 3.5784 3.6670 3.6670 6.1469 6.1469 6.2262 6.2262 6.4724 6.4724 6.5616 6.5616 7.4173 7.4173 11.2026 11.2026 12.3203 12.3203 12.6519 12.6519 13.1355 13.1355 k = 0.0000 0.0244 0.3933 ( 2730 PWs) bands (ev): -12.7260 -12.7260 -12.5869 -12.5869 -12.5605 -12.5605 -12.5372 -12.5372 -11.7589 -11.7589 -11.5707 -11.5707 -11.5406 -11.5406 -11.5303 -11.5303 -11.5075 -11.5075 -11.5005 -11.5005 -10.3443 -10.3443 -7.9243 -7.9243 0.5894 0.5894 3.5788 3.5788 3.6674 3.6674 6.1118 6.1118 6.1670 6.1670 6.4829 6.4829 6.6334 6.6334 7.4185 7.4185 11.2127 11.2127 12.2851 12.2851 12.6149 12.6149 13.2140 13.2140 k = 0.0000 0.0366 0.3933 ( 2730 PWs) bands (ev): -12.7260 -12.7260 -12.5868 -12.5868 -12.5606 -12.5606 -12.5375 -12.5375 -11.7592 -11.7592 -11.5706 -11.5706 -11.5409 -11.5409 -11.5309 -11.5309 -11.5073 -11.5073 -11.5012 -11.5012 -10.3382 -10.3382 -7.9277 -7.9277 0.5939 0.5939 3.5791 3.5791 3.6684 3.6684 6.0176 6.0176 6.1516 6.1516 6.4808 6.4808 6.7250 6.7250 7.4206 7.4206 11.2293 11.2293 12.2233 12.2233 12.5850 12.5850 13.3166 13.3166 k = 0.0000 0.0488 0.3933 ( 2738 PWs) bands (ev): -12.7259 -12.7259 -12.5867 -12.5867 -12.5607 -12.5607 -12.5379 -12.5379 -11.7596 -11.7596 -11.5705 -11.5705 -11.5413 -11.5413 -11.5316 -11.5316 -11.5071 -11.5071 -11.5020 -11.5020 -10.3298 -10.3298 -7.9324 -7.9324 0.6003 0.6003 3.5791 3.5791 3.6703 3.6703 5.9101 5.9101 6.1421 6.1421 6.4735 6.4735 6.8211 6.8211 7.4235 7.4235 11.2522 11.2522 12.1395 12.1395 12.5705 12.5705 13.4303 13.4303 k = 0.0000 0.0610 0.3933 ( 2742 PWs) bands (ev): -12.7257 -12.7257 -12.5866 -12.5866 -12.5609 -12.5609 -12.5383 -12.5383 -11.7602 -11.7602 -11.5704 -11.5704 -11.5418 -11.5418 -11.5324 -11.5324 -11.5071 -11.5071 -11.5027 -11.5027 -10.3189 -10.3189 -7.9386 -7.9386 0.6084 0.6084 3.5784 3.5784 3.6737 3.6737 5.7988 5.7988 6.1315 6.1315 6.4629 6.4629 6.9174 6.9174 7.4273 7.4273 11.2809 11.2809 12.0429 12.0429 12.5690 12.5690 13.5491 13.5491 k = 0.0000 0.0732 0.3933 ( 2744 PWs) bands (ev): -12.7255 -12.7255 -12.5864 -12.5864 -12.5611 -12.5611 -12.5389 -12.5389 -11.7608 -11.7608 -11.5702 -11.5702 -11.5426 -11.5426 -11.5334 -11.5334 -11.5074 -11.5074 -11.5031 -11.5031 -10.3058 -10.3058 -7.9460 -7.9460 0.6184 0.6184 3.5767 3.5767 3.6790 3.6790 5.6853 5.6853 6.1189 6.1189 6.4494 6.4494 7.0123 7.0123 7.4318 7.4318 11.3146 11.3146 11.9414 11.9414 12.5765 12.5765 13.6699 13.6699 k = 0.0000 0.0854 0.3933 ( 2746 PWs) bands (ev): -12.7253 -12.7253 -12.5863 -12.5863 -12.5614 -12.5614 -12.5396 -12.5396 -11.7614 -11.7614 -11.5702 -11.5702 -11.5436 -11.5436 -11.5345 -11.5345 -11.5082 -11.5082 -11.5029 -11.5029 -10.2905 -10.2905 -7.9548 -7.9548 0.6302 0.6302 3.5738 3.5738 3.6865 3.6865 5.5704 5.5704 6.1042 6.1042 6.4334 6.4334 7.1048 7.1048 7.4372 7.4372 11.3516 11.3516 11.8408 11.8408 12.5904 12.5904 13.7909 13.7909 k = 0.0000 0.0976 0.3933 ( 2758 PWs) bands (ev): -12.7250 -12.7250 -12.5862 -12.5862 -12.5617 -12.5617 -12.5403 -12.5403 -11.7621 -11.7621 -11.5702 -11.5702 -11.5450 -11.5450 -11.5356 -11.5356 -11.5091 -11.5091 -11.5025 -11.5025 -10.2731 -10.2731 -7.9650 -7.9650 0.6438 0.6438 3.5698 3.5698 3.6964 3.6964 5.4547 5.4547 6.0870 6.0870 6.4149 6.4149 7.1943 7.1943 7.4435 7.4435 11.3881 11.3881 11.7475 11.7475 12.6094 12.6094 13.9111 13.9111 k = 0.0000 0.1098 0.3933 ( 2754 PWs) bands (ev): -12.7247 -12.7247 -12.5860 -12.5860 -12.5620 -12.5620 -12.5412 -12.5412 -11.7628 -11.7628 -11.5704 -11.5704 -11.5468 -11.5468 -11.5367 -11.5367 -11.5100 -11.5100 -11.5019 -11.5019 -10.2535 -10.2535 -7.9766 -7.9766 0.6591 0.6591 3.5649 3.5649 3.7087 3.7087 5.3383 5.3383 6.0674 6.0674 6.3940 6.3940 7.2801 7.2801 7.4510 7.4510 11.4135 11.4135 11.6736 11.6736 12.6327 12.6327 14.0299 14.0299 k = 0.0000 0.1220 0.3933 ( 2754 PWs) bands (ev): -12.7243 -12.7243 -12.5859 -12.5859 -12.5624 -12.5624 -12.5422 -12.5422 -11.7635 -11.7635 -11.5709 -11.5709 -11.5489 -11.5489 -11.5377 -11.5377 -11.5106 -11.5106 -11.5011 -11.5011 -10.2320 -10.2320 -7.9895 -7.9895 0.6762 0.6762 3.5593 3.5593 3.7232 3.7232 5.2215 5.2215 6.0453 6.0453 6.3707 6.3707 7.3608 7.3608 7.4605 7.4605 11.4043 11.4043 11.6436 11.6436 12.6598 12.6598 14.1467 14.1467 k = 0.0000 0.1341 0.3933 ( 2746 PWs) bands (ev): -12.7239 -12.7239 -12.5858 -12.5858 -12.5628 -12.5628 -12.5433 -12.5433 -11.7641 -11.7641 -11.5717 -11.5717 -11.5510 -11.5510 -11.5387 -11.5387 -11.5111 -11.5111 -11.5003 -11.5003 -10.2085 -10.2085 -8.0038 -8.0038 0.6950 0.6950 3.5535 3.5535 3.7399 3.7399 5.1046 5.1046 6.0206 6.0206 6.3452 6.3452 7.4294 7.4294 7.4788 7.4788 11.3528 11.3528 11.6661 11.6661 12.6904 12.6904 14.2612 14.2612 k = 0.0000 0.1463 0.3933 ( 2746 PWs) bands (ev): -12.7233 -12.7233 -12.5858 -12.5858 -12.5633 -12.5633 -12.5445 -12.5445 -11.7647 -11.7647 -11.5731 -11.5731 -11.5531 -11.5531 -11.5397 -11.5397 -11.5113 -11.5113 -11.4995 -11.4995 -10.1833 -10.1833 -8.0195 -8.0195 0.7156 0.7156 3.5477 3.5477 3.7586 3.7586 4.9876 4.9876 5.9932 5.9932 6.3175 6.3175 7.4615 7.4615 7.5298 7.5298 11.2828 11.2828 11.7172 11.7172 12.7244 12.7244 14.3732 14.3732 k = 0.0000 0.1585 0.3933 ( 2754 PWs) bands (ev): -12.7228 -12.7228 -12.5858 -12.5858 -12.5638 -12.5638 -12.5458 -12.5458 -11.7652 -11.7652 -11.5752 -11.5752 -11.5550 -11.5550 -11.5407 -11.5407 -11.5112 -11.5112 -11.4986 -11.4986 -10.1562 -10.1562 -8.0365 -8.0365 0.7379 0.7379 3.5423 3.5423 3.7793 3.7793 4.8707 4.8707 5.9631 5.9631 6.2877 6.2877 7.4747 7.4747 7.5955 7.5955 11.2107 11.2107 11.7813 11.7813 12.7616 12.7616 14.4825 14.4825 k = 0.0000 0.1707 0.3933 ( 2750 PWs) bands (ev): -12.7221 -12.7221 -12.5859 -12.5859 -12.5643 -12.5643 -12.5471 -12.5471 -11.7656 -11.7656 -11.5781 -11.5781 -11.5564 -11.5564 -11.5416 -11.5416 -11.5109 -11.5109 -11.4977 -11.4977 -10.1276 -10.1276 -8.0549 -8.0549 0.7620 0.7620 3.5376 3.5376 3.8018 3.8018 4.7541 4.7541 5.9302 5.9302 6.2558 6.2558 7.4854 7.4854 7.6591 7.6591 11.1424 11.1424 11.8521 11.8521 12.8019 12.8019 14.5892 14.5892 k = 0.0000 0.1829 0.3933 ( 2740 PWs) bands (ev): -12.7213 -12.7213 -12.5861 -12.5861 -12.5649 -12.5649 -12.5485 -12.5485 -11.7659 -11.7659 -11.5816 -11.5816 -11.5574 -11.5574 -11.5426 -11.5426 -11.5104 -11.5104 -11.4969 -11.4969 -10.0973 -10.0973 -8.0747 -8.0747 0.7877 0.7877 3.5338 3.5338 3.8262 3.8262 4.6379 4.6379 5.8944 5.8944 6.2220 6.2220 7.4959 7.4959 7.7181 7.7181 11.0806 11.0806 11.9273 11.9273 12.8452 12.8452 14.6930 14.6930 k = 0.0000 0.1951 0.3933 ( 2736 PWs) bands (ev): -12.7205 -12.7205 -12.5864 -12.5864 -12.5655 -12.5655 -12.5499 -12.5499 -11.7660 -11.7660 -11.5857 -11.5857 -11.5580 -11.5580 -11.5436 -11.5436 -11.5097 -11.5097 -11.4960 -11.4960 -10.0656 -10.0656 -8.0958 -8.0958 0.8151 0.8151 3.5313 3.5313 3.8523 3.8523 4.5223 4.5223 5.8557 5.8557 6.1862 6.1862 7.5064 7.5064 7.7719 7.7719 11.0267 11.0267 12.0050 12.0050 12.8915 12.8915 14.7938 14.7938 k = 0.0000 0.2073 0.3933 ( 2734 PWs) bands (ev): -12.7196 -12.7196 -12.5870 -12.5870 -12.5662 -12.5662 -12.5513 -12.5513 -11.7659 -11.7659 -11.5902 -11.5902 -11.5584 -11.5584 -11.5446 -11.5446 -11.5089 -11.5089 -11.4951 -11.4951 -10.0325 -10.0325 -8.1183 -8.1183 0.8443 0.8443 3.5303 3.5303 3.8800 3.8800 4.4073 4.4073 5.8142 5.8142 6.1486 6.1486 7.5172 7.5172 7.8199 7.8199 10.9815 10.9815 12.0842 12.0842 12.9407 12.9407 14.8916 14.8916 k = 0.0000 0.2195 0.3933 ( 2738 PWs) bands (ev): -12.7185 -12.7185 -12.5877 -12.5877 -12.5668 -12.5668 -12.5526 -12.5526 -11.7657 -11.7657 -11.5950 -11.5950 -11.5587 -11.5587 -11.5455 -11.5455 -11.5080 -11.5080 -11.4943 -11.4943 -9.9980 -9.9980 -8.1422 -8.1422 0.8751 0.8751 3.5310 3.5310 3.9094 3.9094 4.2931 4.2931 5.7697 5.7697 6.1093 6.1093 7.5283 7.5283 7.8621 7.8621 10.9455 10.9455 12.1636 12.1636 12.9926 12.9926 14.9859 14.9859 k = 0.0000 0.2317 0.3933 ( 2740 PWs) bands (ev): -12.7174 -12.7174 -12.5886 -12.5886 -12.5674 -12.5674 -12.5540 -12.5540 -11.7653 -11.7653 -11.6000 -11.6000 -11.5589 -11.5589 -11.5465 -11.5465 -11.5069 -11.5069 -11.4934 -11.4934 -9.9622 -9.9622 -8.1673 -8.1673 0.9075 0.9075 3.5337 3.5337 3.9404 3.9404 4.1799 4.1799 5.7225 5.7225 6.0684 6.0684 7.5397 7.5397 7.8984 7.8984 10.9192 10.9192 12.2423 12.2423 13.0472 13.0472 15.0763 15.0763 k = 0.0000 0.2439 0.3933 ( 2744 PWs) bands (ev): -12.7162 -12.7162 -12.5899 -12.5899 -12.5681 -12.5681 -12.5553 -12.5553 -11.7646 -11.7646 -11.6051 -11.6051 -11.5590 -11.5590 -11.5475 -11.5475 -11.5058 -11.5058 -11.4926 -11.4926 -9.9253 -9.9253 -8.1938 -8.1938 0.9417 0.9417 3.5385 3.5385 3.9726 3.9726 4.0679 4.0679 5.6724 5.6724 6.0259 6.0259 7.5514 7.5514 7.9287 7.9287 10.9025 10.9025 12.3190 12.3190 13.1043 13.1043 15.1621 15.1621 k = 0.0000 0.2561 0.3933 ( 2746 PWs) bands (ev): -12.7148 -12.7148 -12.5914 -12.5914 -12.5686 -12.5686 -12.5565 -12.5565 -11.7637 -11.7637 -11.6102 -11.6102 -11.5591 -11.5591 -11.5484 -11.5484 -11.5046 -11.5046 -11.4918 -11.4918 -9.8873 -9.8873 -8.2216 -8.2216 0.9775 0.9775 3.5455 3.5455 3.9551 3.9551 4.0082 4.0082 5.6195 5.6195 5.9819 5.9819 7.5633 7.5633 7.9534 7.9534 10.8955 10.8955 12.3925 12.3925 13.1639 13.1639 15.2420 15.2420 k = 0.0000 0.2683 0.3933 ( 2742 PWs) bands (ev): -12.7133 -12.7133 -12.5933 -12.5933 -12.5691 -12.5691 -12.5576 -12.5576 -11.7626 -11.7626 -11.6154 -11.6154 -11.5591 -11.5591 -11.5493 -11.5493 -11.5034 -11.5034 -11.4910 -11.4910 -9.8482 -9.8482 -8.2506 -8.2506 1.0151 1.0151 3.5550 3.5550 3.8460 3.8460 4.0430 4.0430 5.5641 5.5641 5.9365 5.9365 7.5755 7.5755 7.9726 7.9726 10.8979 10.8979 12.4615 12.4615 13.2259 13.2259 15.3138 15.3138 k = 0.0000 0.2805 0.3933 ( 2742 PWs) bands (ev): -12.7117 -12.7117 -12.5954 -12.5954 -12.5695 -12.5695 -12.5586 -12.5586 -11.7613 -11.7613 -11.6207 -11.6207 -11.5592 -11.5592 -11.5502 -11.5502 -11.5022 -11.5022 -11.4903 -11.4903 -9.8082 -9.8082 -8.2809 -8.2809 1.0543 1.0543 3.5666 3.5666 3.7380 3.7380 4.0798 4.0798 5.5062 5.5062 5.8898 5.8898 7.5880 7.5880 7.9867 7.9867 10.9095 10.9095 12.5247 12.5247 13.2901 13.2901 15.3736 15.3736 k = 0.0000 0.2927 0.3933 ( 2750 PWs) bands (ev): -12.7100 -12.7100 -12.5979 -12.5979 -12.5698 -12.5698 -12.5595 -12.5595 -11.7598 -11.7598 -11.6259 -11.6259 -11.5592 -11.5592 -11.5510 -11.5510 -11.5009 -11.5009 -11.4896 -11.4896 -9.7672 -9.7672 -8.3125 -8.3125 1.0952 1.0952 3.5777 3.5777 3.6346 3.6346 4.1181 4.1181 5.4460 5.4460 5.8420 5.8420 7.6006 7.6006 7.9961 7.9961 10.9297 10.9297 12.5806 12.5806 13.3565 13.3565 15.4162 15.4162 k = 0.0000 0.3049 0.3933 ( 2750 PWs) bands (ev): -12.7082 -12.7082 -12.6007 -12.6007 -12.5701 -12.5701 -12.5604 -12.5604 -11.7580 -11.7580 -11.6310 -11.6310 -11.5593 -11.5593 -11.5518 -11.5518 -11.4997 -11.4997 -11.4889 -11.4889 -9.7254 -9.7254 -8.3452 -8.3452 1.1378 1.1378 3.5191 3.5191 3.6052 3.6052 4.1577 4.1577 5.3836 5.3836 5.7930 5.7930 7.6135 7.6135 8.0013 8.0013 10.9580 10.9580 12.6278 12.6278 13.4250 13.4250 15.4381 15.4381 k = 0.0000 0.3171 0.3933 ( 2746 PWs) bands (ev): -12.7062 -12.7062 -12.6038 -12.6038 -12.5703 -12.5703 -12.5612 -12.5612 -11.7560 -11.7560 -11.6362 -11.6362 -11.5593 -11.5593 -11.5526 -11.5526 -11.4984 -11.4984 -11.4883 -11.4883 -9.6829 -9.6829 -8.3792 -8.3792 1.1821 1.1821 3.4167 3.4167 3.6239 3.6239 4.1986 4.1986 5.3193 5.3193 5.7430 5.7430 7.6265 7.6265 8.0028 8.0028 10.9939 10.9939 12.6651 12.6651 13.4958 13.4958 15.4435 15.4435 k = 0.0000 0.3293 0.3933 ( 2758 PWs) bands (ev): -12.7041 -12.7041 -12.6070 -12.6070 -12.5704 -12.5704 -12.5619 -12.5619 -11.7538 -11.7538 -11.6413 -11.6413 -11.5593 -11.5593 -11.5533 -11.5533 -11.4972 -11.4972 -11.4877 -11.4877 -9.6396 -9.6396 -8.4142 -8.4142 1.2282 1.2282 3.3143 3.3143 3.6473 3.6473 4.2408 4.2408 5.2533 5.2533 5.6922 5.6922 7.6397 7.6397 8.0011 8.0011 11.0366 11.0366 12.6912 12.6912 13.5687 13.5687 15.4418 15.4418 k = 0.0000 0.3415 0.3933 ( 2762 PWs) bands (ev): -12.7019 -12.7019 -12.6105 -12.6105 -12.5704 -12.5704 -12.5626 -12.5626 -11.7514 -11.7514 -11.6463 -11.6463 -11.5594 -11.5594 -11.5540 -11.5540 -11.4960 -11.4960 -11.4871 -11.4871 -9.5958 -9.5958 -8.4504 -8.4504 1.2761 1.2761 3.2133 3.2133 3.6740 3.6740 4.2841 4.2841 5.1859 5.1859 5.6405 5.6405 7.6531 7.6531 7.9967 7.9967 11.0856 11.0856 12.7053 12.7053 13.6439 13.6439 15.4402 15.4402 k = 0.0000 0.3537 0.3933 ( 2754 PWs) bands (ev): -12.6996 -12.6996 -12.6141 -12.6141 -12.5704 -12.5704 -12.5633 -12.5633 -11.7488 -11.7488 -11.6513 -11.6513 -11.5594 -11.5594 -11.5546 -11.5546 -11.4949 -11.4949 -11.4866 -11.4866 -9.5513 -9.5513 -8.4876 -8.4876 1.3258 1.3258 3.1139 3.1139 3.7039 3.7039 4.3286 4.3286 5.1172 5.1172 5.5880 5.5880 7.6666 7.6666 7.9900 7.9900 11.1403 11.1403 12.7072 12.7072 13.7215 13.7215 15.4421 15.4421 k = 0.0000 0.3659 0.3933 ( 2758 PWs) bands (ev): -12.6971 -12.6971 -12.6179 -12.6179 -12.5704 -12.5704 -12.5638 -12.5638 -11.7461 -11.7461 -11.6563 -11.6563 -11.5595 -11.5595 -11.5552 -11.5552 -11.4938 -11.4938 -11.4862 -11.4862 -9.5063 -9.5063 -8.5258 -8.5258 1.3772 1.3772 3.0163 3.0163 3.7370 3.7370 4.3742 4.3742 5.0475 5.0475 5.5350 5.5350 7.6802 7.6802 7.9815 7.9815 11.2000 11.2000 12.6969 12.6969 13.8014 13.8014 15.4472 15.4472 k = 0.0000 0.3780 0.3933 ( 2762 PWs) bands (ev): -12.6945 -12.6945 -12.6218 -12.6218 -12.5703 -12.5703 -12.5644 -12.5644 -11.7431 -11.7431 -11.6611 -11.6611 -11.5595 -11.5595 -11.5558 -11.5558 -11.4928 -11.4928 -11.4858 -11.4858 -9.4610 -9.4610 -8.5650 -8.5650 1.4306 1.4306 2.9205 2.9205 3.7731 3.7731 4.4207 4.4207 4.9772 4.9772 5.4813 5.4813 7.6940 7.6940 7.9715 7.9715 11.2641 11.2641 12.6748 12.6748 13.8836 13.8836 15.4525 15.4525 k = 0.0000 0.3902 0.3933 ( 2754 PWs) bands (ev): -12.6917 -12.6917 -12.6257 -12.6257 -12.5702 -12.5702 -12.5649 -12.5649 -11.7400 -11.7400 -11.6659 -11.6659 -11.5596 -11.5596 -11.5563 -11.5563 -11.4918 -11.4918 -11.4855 -11.4855 -9.4152 -9.4152 -8.6051 -8.6051 1.4858 1.4858 2.8266 2.8266 3.8122 3.8122 4.4681 4.4681 4.9065 4.9065 5.4273 5.4273 7.7079 7.7079 7.9603 7.9603 11.3322 11.3322 12.6418 12.6418 13.9681 13.9681 15.4517 15.4517 k = 0.0000 0.4024 0.3933 ( 2754 PWs) bands (ev): -12.6889 -12.6889 -12.6297 -12.6297 -12.5701 -12.5701 -12.5654 -12.5654 -11.7367 -11.7367 -11.6707 -11.6707 -11.5596 -11.5596 -11.5568 -11.5568 -11.4908 -11.4908 -11.4853 -11.4853 -9.3691 -9.3691 -8.6461 -8.6461 1.5429 1.5429 2.7346 2.7346 3.8543 3.8543 4.5163 4.5163 4.8359 4.8359 5.3729 5.3729 7.7219 7.7219 7.9481 7.9481 11.4037 11.4037 12.5990 12.5990 14.0547 14.0547 15.4360 15.4360 k = 0.0000 0.4146 0.3933 ( 2750 PWs) bands (ev): -12.6859 -12.6859 -12.6338 -12.6338 -12.5700 -12.5700 -12.5659 -12.5659 -11.7333 -11.7333 -11.6754 -11.6754 -11.5596 -11.5596 -11.5572 -11.5572 -11.4899 -11.4899 -11.4851 -11.4851 -9.3228 -9.3228 -8.6879 -8.6879 1.6020 1.6020 2.6445 2.6445 3.8993 3.8993 4.5648 4.5648 4.7659 4.7659 5.3182 5.3182 7.7359 7.7359 7.9353 7.9353 11.4781 11.4781 12.5476 12.5476 14.1433 14.1433 15.3984 15.3984 k = 0.0000 0.4268 0.3933 ( 2750 PWs) bands (ev): -12.6827 -12.6827 -12.6379 -12.6379 -12.5698 -12.5698 -12.5663 -12.5663 -11.7298 -11.7298 -11.6800 -11.6800 -11.5596 -11.5596 -11.5576 -11.5576 -11.4891 -11.4891 -11.4849 -11.4849 -9.2764 -9.2764 -8.7304 -8.7304 1.6631 1.6631 2.5565 2.5565 3.9471 3.9471 4.6110 4.6110 4.6992 4.6992 5.2633 5.2633 7.7501 7.7501 7.9219 7.9219 11.5549 11.5549 12.4888 12.4888 14.2339 14.2339 15.3394 15.3394 k = 0.0000 0.4390 0.3933 ( 2738 PWs) bands (ev): -12.6795 -12.6795 -12.6419 -12.6419 -12.5696 -12.5696 -12.5667 -12.5667 -11.7262 -11.7262 -11.6846 -11.6846 -11.5596 -11.5596 -11.5580 -11.5580 -11.4884 -11.4884 -11.4849 -11.4849 -9.2298 -9.2298 -8.7736 -8.7736 1.7261 1.7261 2.4706 2.4706 3.9976 3.9976 4.6121 4.6121 4.6790 4.6790 5.2083 5.2083 7.7643 7.7643 7.9081 7.9081 11.6338 11.6338 12.4238 12.4238 14.3261 14.3261 15.2648 15.2648 k = 0.0000 0.4512 0.3933 ( 2738 PWs) bands (ev): -12.6761 -12.6761 -12.6460 -12.6460 -12.5694 -12.5694 -12.5671 -12.5671 -11.7224 -11.7224 -11.6891 -11.6891 -11.5596 -11.5596 -11.5583 -11.5583 -11.4877 -11.4877 -11.4849 -11.4849 -9.1832 -9.1832 -8.8175 -8.8175 1.7912 1.7912 2.3867 2.3867 4.0507 4.0507 4.5493 4.5493 4.7242 4.7242 5.1533 5.1533 7.7786 7.7786 7.8940 7.8940 11.7142 11.7142 12.3538 12.3538 14.4197 14.4197 15.1803 15.1803 k = 0.0000 0.4634 0.3933 ( 2742 PWs) bands (ev): -12.6727 -12.6727 -12.6500 -12.6500 -12.5692 -12.5692 -12.5674 -12.5674 -11.7185 -11.7185 -11.6935 -11.6935 -11.5595 -11.5595 -11.5585 -11.5585 -11.4871 -11.4871 -11.4850 -11.4850 -9.1367 -9.1367 -8.8619 -8.8619 1.8583 1.8583 2.3049 2.3049 4.1063 4.1063 4.4822 4.4822 4.7754 4.7754 5.0984 5.0984 7.7930 7.7930 7.8797 7.8797 11.7957 11.7957 12.2798 12.2798 14.5146 14.5146 15.0900 15.0900 k = 0.0000 0.4756 0.3933 ( 2744 PWs) bands (ev): -12.6691 -12.6691 -12.6539 -12.6539 -12.5689 -12.5689 -12.5678 -12.5678 -11.7146 -11.7146 -11.6979 -11.6979 -11.5594 -11.5594 -11.5588 -11.5588 -11.4866 -11.4866 -11.4852 -11.4852 -9.0902 -9.0902 -8.9068 -8.9068 1.9275 1.9275 2.2252 2.2252 4.1642 4.1642 4.4156 4.4156 4.8278 4.8278 5.0436 5.0436 7.8074 7.8074 7.8653 7.8653 11.8779 11.8779 12.2027 12.2027 14.6106 14.6106 14.9963 14.9963 k = 0.0000 0.4878 0.3933 ( 2744 PWs) bands (ev): -12.6654 -12.6654 -12.6579 -12.6579 -12.5687 -12.5687 -12.5681 -12.5681 -11.7105 -11.7105 -11.7022 -11.7022 -11.5593 -11.5593 -11.5590 -11.5590 -11.4861 -11.4861 -11.4854 -11.4854 -9.0439 -9.0439 -8.9521 -8.9521 1.9988 1.9988 2.1476 2.1476 4.2243 4.2243 4.3502 4.3502 4.8811 4.8811 4.9891 4.9891 7.8219 7.8219 7.8509 7.8509 11.9603 11.9603 12.1232 12.1232 14.7071 14.7071 14.9006 14.9006 k = 0.0000 0.5000 0.3933 ( 2744 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5684 -12.5684 -12.5684 -12.5684 -11.7064 -11.7064 -11.7064 -11.7064 -11.5592 -11.5592 -11.5592 -11.5592 -11.4857 -11.4857 -11.4857 -11.4857 -8.9979 -8.9979 -8.9979 -8.9979 2.0721 2.0721 2.0721 2.0721 4.2864 4.2864 4.2864 4.2864 4.9349 4.9349 4.9349 4.9349 7.8364 7.8364 7.8364 7.8364 12.0422 12.0422 12.0422 12.0422 14.8040 14.8040 14.8040 14.8040 k = 0.0000 0.5000 0.3933 ( 2744 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5684 -12.5684 -12.5684 -12.5684 -11.7064 -11.7064 -11.7064 -11.7064 -11.5592 -11.5592 -11.5592 -11.5592 -11.4857 -11.4857 -11.4857 -11.4857 -8.9979 -8.9979 -8.9979 -8.9979 2.0721 2.0721 2.0721 2.0721 4.2864 4.2864 4.2864 4.2864 4.9349 4.9349 4.9349 4.9349 7.8364 7.8364 7.8364 7.8364 12.0422 12.0422 12.0422 12.0422 14.8040 14.8040 14.8040 14.8040 k = 0.0122 0.5000 0.3933 ( 2752 PWs) bands (ev): -12.6643 -12.6643 -12.6591 -12.6591 -12.5687 -12.5687 -12.5680 -12.5680 -11.7099 -11.7099 -11.7029 -11.7029 -11.5595 -11.5595 -11.5588 -11.5588 -11.4860 -11.4860 -11.4854 -11.4854 -8.9987 -8.9987 -8.9964 -8.9964 2.0703 2.0703 2.0708 2.0708 4.2717 4.2717 4.2850 4.2850 4.9402 4.9402 4.9507 4.9507 7.8343 7.8343 7.8367 7.8367 12.0426 12.0426 12.0434 12.0434 14.7831 14.7831 14.8066 14.8066 k = 0.0244 0.5000 0.3933 ( 2752 PWs) bands (ev): -12.6668 -12.6668 -12.6566 -12.6566 -12.5690 -12.5690 -12.5676 -12.5676 -11.7136 -11.7136 -11.6995 -11.6995 -11.5597 -11.5597 -11.5584 -11.5584 -11.4863 -11.4863 -11.4851 -11.4851 -8.9988 -8.9988 -8.9942 -8.9942 2.0652 2.0652 2.0663 2.0663 4.2435 4.2435 4.2682 4.2682 4.9661 4.9661 4.9852 4.9852 7.8304 7.8304 7.8352 7.8352 12.0444 12.0444 12.0460 12.0460 14.7454 14.7454 14.7908 14.7908 k = 0.0366 0.5000 0.3933 ( 2752 PWs) bands (ev): -12.6694 -12.6694 -12.6541 -12.6541 -12.5692 -12.5692 -12.5672 -12.5672 -11.7172 -11.7172 -11.6963 -11.6963 -11.5599 -11.5599 -11.5579 -11.5579 -11.4867 -11.4867 -11.4849 -11.4849 -8.9983 -8.9983 -8.9914 -8.9914 2.0569 2.0569 2.0586 2.0586 4.2058 4.2058 4.2394 4.2394 5.0093 5.0093 5.0343 5.0343 7.8247 7.8247 7.8320 7.8320 12.0477 12.0477 12.0501 12.0501 14.6923 14.6923 14.7571 14.7571 k = 0.0488 0.5000 0.3933 ( 2736 PWs) bands (ev): -12.6719 -12.6719 -12.6517 -12.6517 -12.5694 -12.5694 -12.5668 -12.5668 -11.7208 -11.7208 -11.6932 -11.6932 -11.5600 -11.5600 -11.5574 -11.5574 -11.4870 -11.4870 -11.4846 -11.4846 -8.9970 -8.9970 -8.9880 -8.9880 2.0453 2.0453 2.0476 2.0476 4.1627 4.1627 4.2027 4.2027 5.0653 5.0653 5.0940 5.0940 7.8172 7.8172 7.8270 7.8270 12.0526 12.0526 12.0557 12.0557 14.6262 14.6262 14.7069 14.7069 k = 0.0610 0.5000 0.3933 ( 2736 PWs) bands (ev): -12.6744 -12.6744 -12.6495 -12.6495 -12.5695 -12.5695 -12.5663 -12.5663 -11.7244 -11.7244 -11.6903 -11.6903 -11.5601 -11.5601 -11.5569 -11.5569 -11.4873 -11.4873 -11.4843 -11.4843 -8.9951 -8.9951 -8.9839 -8.9839 2.0304 2.0304 2.0334 2.0334 4.1173 4.1173 4.1619 4.1619 5.1307 5.1307 5.1613 5.1613 7.8080 7.8080 7.8201 7.8201 12.0588 12.0588 12.0626 12.0626 14.5490 14.5490 14.6423 14.6423 k = 0.0732 0.5000 0.3933 ( 2736 PWs) bands (ev): -12.6767 -12.6767 -12.6473 -12.6473 -12.5695 -12.5695 -12.5659 -12.5659 -11.7280 -11.7280 -11.6876 -11.6876 -11.5600 -11.5600 -11.5564 -11.5564 -11.4876 -11.4876 -11.4841 -11.4841 -8.9925 -8.9925 -8.9793 -8.9793 2.0121 2.0121 2.0158 2.0158 4.0718 4.0718 4.1198 4.1198 5.2026 5.2026 5.2339 5.2339 7.7970 7.7970 7.8115 7.8115 12.0665 12.0665 12.0709 12.0709 14.4631 14.4631 14.5659 14.5659 k = 0.0854 0.5000 0.3933 ( 2744 PWs) bands (ev): -12.6790 -12.6790 -12.6453 -12.6453 -12.5694 -12.5694 -12.5654 -12.5654 -11.7315 -11.7315 -11.6852 -11.6852 -11.5598 -11.5598 -11.5559 -11.5559 -11.4879 -11.4879 -11.4839 -11.4839 -8.9892 -8.9892 -8.9741 -8.9741 1.9904 1.9904 1.9949 1.9949 4.0279 4.0279 4.0782 4.0782 5.2789 5.2789 5.3103 5.3103 7.7841 7.7841 7.8010 7.8010 12.0756 12.0756 12.0805 12.0805 14.3703 14.3703 14.4800 14.4800 k = 0.0976 0.5000 0.3933 ( 2736 PWs) bands (ev): -12.6813 -12.6813 -12.6435 -12.6435 -12.5692 -12.5692 -12.5649 -12.5649 -11.7348 -11.7348 -11.6830 -11.6830 -11.5594 -11.5594 -11.5553 -11.5553 -11.4882 -11.4882 -11.4837 -11.4837 -8.9854 -8.9854 -8.9683 -8.9683 1.9654 1.9654 1.9706 1.9706 3.9867 3.9867 4.0387 4.0387 5.3585 5.3585 5.3892 5.3892 7.7695 7.7695 7.7886 7.7886 12.0861 12.0861 12.0913 12.0913 14.2726 14.2726 14.3870 14.3870 k = 0.1098 0.5000 0.3933 ( 2732 PWs) bands (ev): -12.6834 -12.6834 -12.6419 -12.6419 -12.5689 -12.5689 -12.5645 -12.5645 -11.7380 -11.7380 -11.6811 -11.6811 -11.5590 -11.5590 -11.5548 -11.5548 -11.4885 -11.4885 -11.4836 -11.4836 -8.9809 -8.9809 -8.9620 -8.9620 1.9369 1.9369 1.9430 1.9430 3.9490 3.9490 4.0022 4.0022 5.4401 5.4401 5.4698 5.4698 7.7530 7.7530 7.7744 7.7744 12.0977 12.0977 12.1032 12.1032 14.1716 14.1716 14.2891 14.2891 k = 0.1220 0.5000 0.3933 ( 2728 PWs) bands (ev): -12.6854 -12.6854 -12.6406 -12.6406 -12.5685 -12.5685 -12.5640 -12.5640 -11.7411 -11.7411 -11.6795 -11.6795 -11.5584 -11.5584 -11.5542 -11.5542 -11.4887 -11.4887 -11.4835 -11.4835 -8.9758 -8.9758 -8.9553 -8.9553 1.9051 1.9051 1.9122 1.9122 3.9153 3.9153 3.9692 3.9692 5.5230 5.5230 5.5515 5.5515 7.7348 7.7348 7.7584 7.7584 12.1106 12.1106 12.1161 12.1161 14.0687 14.0687 14.1882 14.1882 k = 0.1341 0.5000 0.3933 ( 2736 PWs) bands (ev): -12.6873 -12.6873 -12.6394 -12.6394 -12.5680 -12.5680 -12.5635 -12.5635 -11.7441 -11.7441 -11.6782 -11.6782 -11.5577 -11.5577 -11.5537 -11.5537 -11.4890 -11.4890 -11.4833 -11.4833 -8.9701 -8.9701 -8.9481 -8.9481 1.8702 1.8702 1.8782 1.8782 3.8859 3.8859 3.9403 3.9403 5.6067 5.6067 5.6338 5.6338 7.7147 7.7147 7.7404 7.7404 12.1244 12.1244 12.1298 12.1298 13.9653 13.9653 14.0859 14.0859 k = 0.1463 0.5000 0.3933 ( 2736 PWs) bands (ev): -12.6890 -12.6890 -12.6385 -12.6385 -12.5673 -12.5673 -12.5630 -12.5630 -11.7468 -11.7468 -11.6771 -11.6771 -11.5568 -11.5568 -11.5531 -11.5531 -11.4892 -11.4892 -11.4833 -11.4833 -8.9639 -8.9639 -8.9405 -8.9405 1.8324 1.8324 1.8412 1.8412 3.8611 3.8611 3.9156 3.9156 5.6906 5.6906 5.7161 5.7161 7.6928 7.6928 7.7206 7.7206 12.1392 12.1392 12.1442 12.1442 13.8625 13.8625 13.9837 13.9837 k = 0.1585 0.5000 0.3933 ( 2728 PWs) bands (ev): -12.6906 -12.6906 -12.6379 -12.6379 -12.5666 -12.5666 -12.5626 -12.5626 -11.7493 -11.7493 -11.6764 -11.6764 -11.5558 -11.5558 -11.5525 -11.5525 -11.4894 -11.4894 -11.4832 -11.4832 -8.9572 -8.9572 -8.9326 -8.9326 1.7918 1.7918 1.8016 1.8016 3.8409 3.8409 3.8954 3.8954 5.7743 5.7743 5.7982 5.7982 7.6692 7.6692 7.6990 7.6990 12.1545 12.1545 12.1590 12.1590 13.7614 13.7614 13.8829 13.8829 k = 0.1707 0.5000 0.3933 ( 2724 PWs) bands (ev): -12.6921 -12.6921 -12.6375 -12.6375 -12.5657 -12.5657 -12.5621 -12.5621 -11.7516 -11.7516 -11.6760 -11.6760 -11.5548 -11.5548 -11.5520 -11.5520 -11.4895 -11.4895 -11.4832 -11.4832 -8.9500 -8.9500 -8.9243 -8.9243 1.7488 1.7488 1.7595 1.7595 3.8253 3.8253 3.8796 3.8796 5.8575 5.8575 5.8797 5.8797 7.6438 7.6438 7.6755 7.6755 12.1703 12.1703 12.1739 12.1739 13.6630 13.6630 13.7845 13.7845 k = 0.1829 0.5000 0.3933 ( 2732 PWs) bands (ev): -12.6935 -12.6935 -12.6374 -12.6374 -12.5648 -12.5648 -12.5616 -12.5616 -11.7537 -11.7537 -11.6759 -11.6759 -11.5536 -11.5536 -11.5514 -11.5514 -11.4897 -11.4897 -11.4831 -11.4831 -8.9424 -8.9424 -8.9158 -8.9158 1.7036 1.7036 1.7152 1.7152 3.8142 3.8142 3.8681 3.8681 5.9398 5.9398 5.9603 5.9603 7.6167 7.6167 7.6502 7.6502 12.1861 12.1861 12.1886 12.1886 13.5682 13.5682 13.6898 13.6898 k = 0.1951 0.5000 0.3933 ( 2740 PWs) bands (ev): -12.6947 -12.6947 -12.6376 -12.6376 -12.5638 -12.5638 -12.5612 -12.5612 -11.7555 -11.7555 -11.6761 -11.6761 -11.5523 -11.5523 -11.5508 -11.5508 -11.4898 -11.4898 -11.4831 -11.4831 -8.9344 -8.9344 -8.9071 -8.9071 1.6567 1.6567 1.6690 1.6690 3.8074 3.8074 3.8609 3.8609 6.0209 6.0209 6.0398 6.0398 7.5879 7.5879 7.6231 7.6231 12.2015 12.2015 12.2025 12.2025 13.4780 13.4780 13.5997 13.5997 k = 0.2073 0.5000 0.3933 ( 2736 PWs) bands (ev): -12.6958 -12.6958 -12.6379 -12.6379 -12.5627 -12.5627 -12.5607 -12.5607 -11.7571 -11.7571 -11.6765 -11.6765 -11.5510 -11.5510 -11.5502 -11.5502 -11.4899 -11.4899 -11.4832 -11.4832 -8.9261 -8.9261 -8.8982 -8.8982 1.6084 1.6084 1.6214 1.6214 3.8047 3.8047 3.8576 3.8576 6.1007 6.1007 6.1179 6.1179 7.5576 7.5576 7.5943 7.5943 12.2152 12.2152 12.2159 12.2159 13.3933 13.3933 13.5152 13.5152 k = 0.2195 0.5000 0.3933 ( 2740 PWs) bands (ev): -12.6967 -12.6967 -12.6385 -12.6385 -12.5616 -12.5616 -12.5602 -12.5602 -11.7584 -11.7584 -11.6772 -11.6772 -11.5496 -11.5496 -11.5496 -11.5496 -11.4900 -11.4900 -11.4832 -11.4832 -8.9175 -8.9175 -8.8892 -8.8892 1.5591 1.5591 1.5727 1.5727 3.8059 3.8059 3.8581 3.8581 6.1788 6.1788 6.1943 6.1943 7.5258 7.5258 7.5639 7.5639 12.2260 12.2260 12.2287 12.2287 13.3153 13.3153 13.4375 13.4375 k = 0.2317 0.5000 0.3933 ( 2740 PWs) bands (ev): -12.6975 -12.6975 -12.6393 -12.6393 -12.5605 -12.5605 -12.5598 -12.5598 -11.7595 -11.7595 -11.6781 -11.6781 -11.5490 -11.5490 -11.5482 -11.5482 -11.4900 -11.4900 -11.4833 -11.4833 -8.9087 -8.9087 -8.8801 -8.8801 1.5092 1.5092 1.5233 1.5233 3.8106 3.8106 3.8620 3.8620 6.2551 6.2551 6.2690 6.2690 7.4925 7.4925 7.5320 7.5320 12.2342 12.2342 12.2390 12.2390 13.2451 13.2451 13.3675 13.3675 k = 0.2439 0.5000 0.3933 ( 2740 PWs) bands (ev): -12.6982 -12.6982 -12.6403 -12.6403 -12.5594 -12.5594 -12.5593 -12.5593 -11.7603 -11.7603 -11.6793 -11.6793 -11.5484 -11.5484 -11.5467 -11.5467 -11.4900 -11.4900 -11.4833 -11.4833 -8.8996 -8.8996 -8.8709 -8.8709 1.4590 1.4590 1.4735 1.4735 3.8186 3.8186 3.8692 3.8692 6.3294 6.3294 6.3417 6.3417 7.4581 7.4581 7.4986 7.4986 12.2389 12.2389 12.2458 12.2458 13.1837 13.1837 13.3062 13.3062 k = 0.2561 0.5000 0.3933 ( 2744 PWs) bands (ev): -12.6987 -12.6987 -12.6415 -12.6415 -12.5588 -12.5588 -12.5583 -12.5583 -11.7608 -11.7608 -11.6807 -11.6807 -11.5477 -11.5477 -11.5453 -11.5453 -11.4900 -11.4900 -11.4834 -11.4834 -8.8905 -8.8905 -8.8619 -8.8619 1.4089 1.4089 1.4237 1.4237 3.8296 3.8296 3.8792 3.8792 6.4014 6.4014 6.4121 6.4121 7.4224 7.4224 7.4639 7.4639 12.2395 12.2395 12.2482 12.2482 13.1324 13.1324 13.2547 13.2547 k = 0.2683 0.5000 0.3933 ( 2748 PWs) bands (ev): -12.6990 -12.6990 -12.6428 -12.6428 -12.5584 -12.5584 -12.5573 -12.5573 -11.7611 -11.7611 -11.6822 -11.6822 -11.5470 -11.5470 -11.5439 -11.5439 -11.4900 -11.4900 -11.4835 -11.4835 -8.8812 -8.8812 -8.8529 -8.8529 1.3593 1.3593 1.3742 1.3742 3.8432 3.8432 3.8918 3.8918 6.4710 6.4710 6.4803 6.4803 7.3859 7.3859 7.4280 7.4280 12.2352 12.2352 12.2454 12.2454 13.0920 13.0920 13.2136 13.2136 k = 0.2805 0.5000 0.3933 ( 2740 PWs) bands (ev): -12.6992 -12.6992 -12.6443 -12.6443 -12.5579 -12.5579 -12.5563 -12.5563 -11.7611 -11.7611 -11.6840 -11.6840 -11.5464 -11.5464 -11.5425 -11.5425 -11.4899 -11.4899 -11.4837 -11.4837 -8.8719 -8.8719 -8.8440 -8.8440 1.3104 1.3104 1.3254 1.3254 3.8592 3.8592 3.9067 3.9067 6.5380 6.5380 6.5459 6.5459 7.3486 7.3486 7.3912 7.3912 12.2258 12.2258 12.2367 12.2367 13.0633 13.0633 13.1833 13.1833 k = 0.2927 0.5000 0.3933 ( 2748 PWs) bands (ev): -12.6993 -12.6993 -12.6459 -12.6459 -12.5575 -12.5575 -12.5554 -12.5554 -11.7609 -11.7609 -11.6858 -11.6858 -11.5457 -11.5457 -11.5412 -11.5412 -11.4899 -11.4899 -11.4838 -11.4838 -8.8627 -8.8627 -8.8354 -8.8354 1.2626 1.2626 1.2775 1.2775 3.8771 3.8771 3.9234 3.9234 6.6022 6.6022 6.6088 6.6088 7.3107 7.3107 7.3536 7.3536 12.2112 12.2112 12.2221 12.2221 13.0462 13.0462 13.1638 13.1638 k = 0.3049 0.5000 0.3933 ( 2748 PWs) bands (ev): -12.6992 -12.6992 -12.6476 -12.6476 -12.5570 -12.5570 -12.5545 -12.5545 -11.7604 -11.7604 -11.6879 -11.6879 -11.5450 -11.5450 -11.5400 -11.5400 -11.4898 -11.4898 -11.4839 -11.4839 -8.8535 -8.8535 -8.8269 -8.8269 1.2162 1.2162 1.2308 1.2308 3.8968 3.8968 3.9418 3.9418 6.6636 6.6636 6.6689 6.6689 7.2726 7.2726 7.3156 7.3156 12.1919 12.1919 12.2021 12.2021 13.0402 13.0402 13.1545 13.1545 k = 0.3171 0.5000 0.3933 ( 2752 PWs) bands (ev): -12.6990 -12.6990 -12.6495 -12.6495 -12.5566 -12.5566 -12.5537 -12.5537 -11.7597 -11.7597 -11.6900 -11.6900 -11.5442 -11.5442 -11.5388 -11.5388 -11.4897 -11.4897 -11.4841 -11.4841 -8.8445 -8.8445 -8.8188 -8.8188 1.1714 1.1714 1.1857 1.1857 3.9178 3.9178 3.9613 3.9613 6.7219 6.7219 6.7260 6.7260 7.2345 7.2345 7.2772 7.2772 12.1687 12.1687 12.1777 12.1777 13.0442 13.0442 13.1546 13.1546 k = 0.3293 0.5000 0.3933 ( 2756 PWs) bands (ev): -12.6987 -12.6987 -12.6514 -12.6514 -12.5561 -12.5561 -12.5530 -12.5530 -11.7588 -11.7588 -11.6923 -11.6923 -11.5435 -11.5435 -11.5377 -11.5377 -11.4896 -11.4896 -11.4843 -11.4843 -8.8357 -8.8357 -8.8110 -8.8110 1.1285 1.1285 1.1424 1.1424 3.9399 3.9399 3.9818 3.9818 6.7771 6.7771 6.7800 6.7800 7.1966 7.1966 7.2389 7.2389 12.1426 12.1426 12.1501 12.1501 13.0569 13.0569 13.1629 13.1629 k = 0.3415 0.5000 0.3933 ( 2760 PWs) bands (ev): -12.6982 -12.6982 -12.6534 -12.6534 -12.5557 -12.5557 -12.5524 -12.5524 -11.7577 -11.7577 -11.6946 -11.6946 -11.5427 -11.5427 -11.5367 -11.5367 -11.4894 -11.4894 -11.4844 -11.4844 -8.8271 -8.8271 -8.8036 -8.8036 1.0877 1.0877 1.1010 1.1010 3.9627 3.9627 4.0029 4.0029 6.8289 6.8289 6.8307 6.8307 7.1593 7.1593 7.2009 7.2009 12.1146 12.1146 12.1206 12.1206 13.0766 13.0766 13.1780 13.1780 k = 0.3537 0.5000 0.3933 ( 2760 PWs) bands (ev): -12.6975 -12.6975 -12.6554 -12.6554 -12.5552 -12.5552 -12.5519 -12.5519 -11.7563 -11.7563 -11.6971 -11.6971 -11.5419 -11.5419 -11.5358 -11.5358 -11.4893 -11.4893 -11.4846 -11.4846 -8.8188 -8.8188 -8.7966 -8.7966 1.0492 1.0492 1.0619 1.0619 3.9859 3.9859 4.0242 4.0242 6.8774 6.8774 6.8780 6.8780 7.1229 7.1229 7.1637 7.1637 12.0858 12.0858 12.0904 12.0904 13.1020 13.1020 13.1986 13.1986 k = 0.3659 0.5000 0.3933 ( 2760 PWs) bands (ev): -12.6968 -12.6968 -12.6575 -12.6575 -12.5548 -12.5548 -12.5514 -12.5514 -11.7548 -11.7548 -11.6996 -11.6996 -11.5412 -11.5412 -11.5350 -11.5350 -11.4891 -11.4891 -11.4848 -11.4848 -8.8109 -8.8109 -8.7901 -8.7901 1.0132 1.0132 1.0251 1.0251 4.0092 4.0092 4.0453 4.0453 6.9215 6.9215 6.9223 6.9223 7.0878 7.0878 7.1278 7.1278 12.0571 12.0571 12.0604 12.0604 13.1318 13.1318 13.2234 13.2234 k = 0.3780 0.5000 0.3933 ( 2768 PWs) bands (ev): -12.6959 -12.6959 -12.6597 -12.6597 -12.5543 -12.5543 -12.5510 -12.5510 -11.7531 -11.7531 -11.7022 -11.7022 -11.5404 -11.5404 -11.5344 -11.5344 -11.4889 -11.4889 -11.4849 -11.4849 -8.8034 -8.8034 -8.7841 -8.7841 0.9798 0.9798 0.9909 0.9909 4.0321 4.0321 4.0660 4.0660 6.9607 6.9607 6.9635 6.9635 7.0544 7.0544 7.0939 7.0939 12.0292 12.0292 12.0314 12.0314 13.1648 13.1648 13.2511 13.2511 k = 0.3902 0.5000 0.3933 ( 2772 PWs) bands (ev): -12.6949 -12.6949 -12.6619 -12.6619 -12.5539 -12.5539 -12.5507 -12.5507 -11.7512 -11.7512 -11.7049 -11.7049 -11.5396 -11.5396 -11.5338 -11.5338 -11.4887 -11.4887 -11.4851 -11.4851 -8.7964 -8.7964 -8.7787 -8.7787 0.9492 0.9492 0.9594 0.9594 4.0545 4.0545 4.0858 4.0858 6.9934 6.9934 6.9999 6.9999 7.0241 7.0241 7.0646 7.0646 12.0027 12.0027 12.0041 12.0041 13.1998 13.1998 13.2806 13.2806 k = 0.4024 0.5000 0.3933 ( 2772 PWs) bands (ev): -12.6937 -12.6937 -12.6640 -12.6640 -12.5535 -12.5535 -12.5505 -12.5505 -11.7492 -11.7492 -11.7075 -11.7075 -11.5388 -11.5388 -11.5334 -11.5334 -11.4885 -11.4885 -11.4853 -11.4853 -8.7898 -8.7898 -8.7739 -8.7739 0.9216 0.9216 0.9308 0.9308 4.0759 4.0759 4.1045 4.1045 6.9922 6.9922 7.0057 7.0057 7.0365 7.0365 7.0540 7.0540 11.9781 11.9781 11.9789 11.9789 13.2359 13.2359 13.3107 13.3107 k = 0.4146 0.5000 0.3933 ( 2772 PWs) bands (ev): -12.6925 -12.6925 -12.6662 -12.6662 -12.5531 -12.5531 -12.5503 -12.5503 -11.7471 -11.7471 -11.7103 -11.7103 -11.5381 -11.5381 -11.5331 -11.5331 -11.4883 -11.4883 -11.4855 -11.4855 -8.7838 -8.7838 -8.7697 -8.7697 0.8970 0.8970 0.9052 0.9052 4.0960 4.0960 4.1217 4.1217 6.9661 6.9661 6.9875 6.9875 7.0661 7.0661 7.0725 7.0725 11.9558 11.9558 11.9561 11.9561 13.2720 13.2720 13.3403 13.3403 k = 0.4268 0.5000 0.3933 ( 2772 PWs) bands (ev): -12.6911 -12.6911 -12.6684 -12.6684 -12.5527 -12.5527 -12.5502 -12.5502 -11.7449 -11.7449 -11.7130 -11.7130 -11.5374 -11.5374 -11.5329 -11.5329 -11.4881 -11.4881 -11.4857 -11.4857 -8.7783 -8.7783 -8.7661 -8.7661 0.8756 0.8756 0.8827 0.8827 4.1145 4.1145 4.1370 4.1370 6.9427 6.9427 6.9636 6.9636 7.0922 7.0922 7.0957 7.0957 11.9360 11.9360 11.9360 11.9360 13.3072 13.3072 13.3682 13.3682 k = 0.4390 0.5000 0.3933 ( 2772 PWs) bands (ev): -12.6897 -12.6897 -12.6706 -12.6706 -12.5523 -12.5523 -12.5502 -12.5502 -11.7425 -11.7425 -11.7158 -11.7158 -11.5366 -11.5366 -11.5328 -11.5328 -11.4879 -11.4879 -11.4859 -11.4859 -8.7735 -8.7735 -8.7632 -8.7632 0.8574 0.8574 0.8634 0.8634 4.1311 4.1311 4.1502 4.1502 6.9226 6.9226 6.9411 6.9411 7.1144 7.1144 7.1166 7.1166 11.9188 11.9188 11.9190 11.9190 13.3405 13.3405 13.3934 13.3934 k = 0.4512 0.5000 0.3933 ( 2776 PWs) bands (ev): -12.6881 -12.6881 -12.6728 -12.6728 -12.5520 -12.5520 -12.5502 -12.5502 -11.7401 -11.7401 -11.7186 -11.7186 -11.5360 -11.5360 -11.5328 -11.5328 -11.4877 -11.4877 -11.4861 -11.4861 -8.7693 -8.7693 -8.7610 -8.7610 0.8425 0.8425 0.8474 0.8474 4.1455 4.1455 4.1610 4.1610 6.9060 6.9060 6.9214 6.9214 7.1327 7.1327 7.1341 7.1341 11.9046 11.9046 11.9049 11.9049 13.3709 13.3709 13.4148 13.4148 k = 0.4634 0.5000 0.3933 ( 2776 PWs) bands (ev): -12.6864 -12.6864 -12.6749 -12.6749 -12.5516 -12.5516 -12.5503 -12.5503 -11.7376 -11.7376 -11.7214 -11.7214 -11.5353 -11.5353 -11.5329 -11.5329 -11.4875 -11.4875 -11.4863 -11.4863 -8.7658 -8.7658 -8.7595 -8.7595 0.8311 0.8311 0.8347 0.8347 4.1574 4.1574 4.1692 4.1692 6.8934 6.8934 6.9052 6.9052 7.1469 7.1469 7.1478 7.1478 11.8935 11.8935 11.8937 11.8937 13.3972 13.3972 13.4312 13.4312 k = 0.4756 0.5000 0.3933 ( 2784 PWs) bands (ev): -12.6847 -12.6847 -12.6770 -12.6770 -12.5513 -12.5513 -12.5504 -12.5504 -11.7350 -11.7350 -11.7241 -11.7241 -11.5348 -11.5348 -11.5331 -11.5331 -11.4873 -11.4873 -11.4865 -11.4865 -8.7629 -8.7629 -8.7587 -8.7587 0.8230 0.8230 0.8255 0.8255 4.1667 4.1667 4.1746 4.1746 6.8848 6.8848 6.8928 6.8928 7.1572 7.1572 7.1577 7.1577 11.8855 11.8855 11.8857 11.8857 13.4186 13.4186 13.4418 13.4418 k = 0.4878 0.5000 0.3933 ( 2788 PWs) bands (ev): -12.6829 -12.6829 -12.6790 -12.6790 -12.5510 -12.5510 -12.5506 -12.5506 -11.7323 -11.7323 -11.7269 -11.7269 -11.5342 -11.5342 -11.5334 -11.5334 -11.4871 -11.4871 -11.4867 -11.4867 -8.7608 -8.7608 -8.7587 -8.7587 0.8184 0.8184 0.8197 0.8197 4.1731 4.1731 4.1771 4.1771 6.8804 6.8804 6.8845 6.8845 7.1633 7.1633 7.1636 7.1636 11.8808 11.8808 11.8809 11.8809 13.4343 13.4343 13.4461 13.4461 k = 0.5000 0.5000 0.3933 ( 2792 PWs) bands (ev): -12.6810 -12.6810 -12.6810 -12.6810 -12.5508 -12.5508 -12.5508 -12.5508 -11.7296 -11.7296 -11.7296 -11.7296 -11.5338 -11.5338 -11.5338 -11.5338 -11.4869 -11.4869 -11.4869 -11.4869 -8.7594 -8.7594 -8.7594 -8.7594 0.8173 0.8173 0.8173 0.8173 4.1766 4.1766 4.1766 4.1766 6.8803 6.8803 6.8803 6.8803 7.1655 7.1655 7.1655 7.1655 11.8792 11.8792 11.8792 11.8792 13.4436 13.4436 13.4436 13.4436 k = 0.5000 0.5000 0.3933 ( 2792 PWs) bands (ev): -12.6810 -12.6810 -12.6810 -12.6810 -12.5508 -12.5508 -12.5508 -12.5508 -11.7296 -11.7296 -11.7296 -11.7296 -11.5338 -11.5338 -11.5338 -11.5338 -11.4869 -11.4869 -11.4869 -11.4869 -8.7594 -8.7594 -8.7594 -8.7594 0.8173 0.8173 0.8173 0.8173 4.1766 4.1766 4.1766 4.1766 6.8803 6.8803 6.8803 6.8803 7.1655 7.1655 7.1655 7.1655 11.8792 11.8792 11.8792 11.8792 13.4436 13.4436 13.4436 13.4436 k = 0.4914 0.4914 0.3933 ( 2786 PWs) bands (ev): -12.6829 -12.6829 -12.6790 -12.6790 -12.5510 -12.5510 -12.5506 -12.5506 -11.7323 -11.7323 -11.7269 -11.7269 -11.5342 -11.5342 -11.5334 -11.5334 -11.4871 -11.4871 -11.4867 -11.4867 -8.7612 -8.7612 -8.7584 -8.7584 0.8178 0.8178 0.8202 0.8202 4.1719 4.1719 4.1784 4.1784 6.8802 6.8802 6.8847 6.8847 7.1618 7.1618 7.1651 7.1651 11.8796 11.8796 11.8820 11.8820 13.4313 13.4313 13.4491 13.4491 k = 0.4828 0.4828 0.3933 ( 2782 PWs) bands (ev): -12.6847 -12.6847 -12.6770 -12.6770 -12.5513 -12.5513 -12.5504 -12.5504 -11.7350 -11.7350 -11.7241 -11.7241 -11.5348 -11.5348 -11.5331 -11.5331 -11.4873 -11.4873 -11.4865 -11.4865 -8.7651 -8.7651 -8.7566 -8.7566 0.8199 0.8199 0.8286 0.8286 4.1597 4.1597 4.1817 4.1817 6.8831 6.8831 6.8945 6.8945 7.1509 7.1509 7.1640 7.1640 11.8809 11.8809 11.8904 11.8904 13.4019 13.4019 13.4592 13.4592 k = 0.4741 0.4741 0.3933 ( 2770 PWs) bands (ev): -12.6865 -12.6865 -12.6749 -12.6749 -12.5516 -12.5516 -12.5503 -12.5503 -11.7376 -11.7376 -11.7213 -11.7213 -11.5354 -11.5354 -11.5329 -11.5329 -11.4876 -11.4876 -11.4863 -11.4863 -8.7716 -8.7716 -8.7537 -8.7537 0.8233 0.8233 0.8425 0.8425 4.1398 4.1398 4.1871 4.1871 6.8884 6.8884 6.9100 6.9100 7.1329 7.1329 7.1621 7.1621 11.8829 11.8829 11.9044 11.9044 13.3555 13.3555 13.4756 13.4756 k = 0.4655 0.4655 0.3933 ( 2770 PWs) bands (ev): -12.6882 -12.6882 -12.6727 -12.6727 -12.5520 -12.5520 -12.5502 -12.5502 -11.7402 -11.7402 -11.7185 -11.7185 -11.5360 -11.5360 -11.5328 -11.5328 -11.4878 -11.4878 -11.4860 -11.4860 -8.7805 -8.7805 -8.7497 -8.7497 0.8281 0.8281 0.8618 0.8618 4.1127 4.1127 4.1946 4.1946 6.8960 6.8960 6.9307 6.9307 7.1078 7.1078 7.1594 7.1594 11.8857 11.8857 11.9241 11.9241 13.2950 13.2950 13.4984 13.4984 k = 0.4569 0.4569 0.3933 ( 2770 PWs) bands (ev): -12.6898 -12.6898 -12.6704 -12.6704 -12.5524 -12.5524 -12.5501 -12.5501 -11.7427 -11.7427 -11.7156 -11.7156 -11.5367 -11.5367 -11.5327 -11.5327 -11.4881 -11.4881 -11.4858 -11.4858 -8.7920 -8.7920 -8.7447 -8.7447 0.8342 0.8342 0.8866 0.8866 4.0789 4.0789 4.2042 4.2042 6.9056 6.9056 6.9562 6.9562 7.0760 7.0760 7.1561 7.1561 11.8894 11.8894 11.9494 11.9494 13.2231 13.2231 13.5272 13.5272 k = 0.4483 0.4483 0.3933 ( 2766 PWs) bands (ev): -12.6914 -12.6914 -12.6681 -12.6681 -12.5528 -12.5528 -12.5501 -12.5501 -11.7452 -11.7452 -11.7127 -11.7127 -11.5374 -11.5374 -11.5327 -11.5327 -11.4884 -11.4884 -11.4855 -11.4855 -8.8059 -8.8059 -8.7385 -8.7385 0.8416 0.8416 0.9168 0.9168 4.0391 4.0391 4.2160 4.2160 6.9172 6.9172 6.9858 6.9858 7.0380 7.0380 7.1520 7.1520 11.8937 11.8937 11.9803 11.9803 13.1428 13.1428 13.5620 13.5620 k = 0.4397 0.4397 0.3933 ( 2766 PWs) bands (ev): -12.6929 -12.6929 -12.6658 -12.6658 -12.5532 -12.5532 -12.5501 -12.5501 -11.7476 -11.7476 -11.7098 -11.7098 -11.5382 -11.5382 -11.5328 -11.5328 -11.4887 -11.4887 -11.4853 -11.4853 -8.8222 -8.8222 -8.7313 -8.7313 0.8501 0.8501 0.9523 0.9523 3.9940 3.9940 4.2298 4.2298 6.9296 6.9296 6.9951 6.9951 7.0186 7.0186 7.1473 7.1473 11.8988 11.8988 12.0169 12.0169 13.0561 13.0561 13.6025 13.6025 k = 0.4310 0.4310 0.3933 ( 2762 PWs) bands (ev): -12.6944 -12.6944 -12.6633 -12.6633 -12.5536 -12.5536 -12.5502 -12.5502 -11.7500 -11.7500 -11.7068 -11.7068 -11.5390 -11.5390 -11.5330 -11.5330 -11.4891 -11.4891 -11.4850 -11.4850 -8.8407 -8.8407 -8.7229 -8.7229 0.8598 0.8598 0.9930 0.9930 3.9445 3.9445 4.2458 4.2458 6.9286 6.9286 6.9616 6.9616 7.0537 7.0537 7.1422 7.1422 11.9045 11.9045 12.0591 12.0591 12.9649 12.9649 13.6483 13.6483 k = 0.4224 0.4224 0.3933 ( 2754 PWs) bands (ev): -12.6958 -12.6958 -12.6608 -12.6608 -12.5541 -12.5541 -12.5503 -12.5503 -11.7524 -11.7524 -11.7038 -11.7038 -11.5398 -11.5398 -11.5333 -11.5333 -11.4895 -11.4895 -11.4847 -11.4847 -8.8615 -8.8615 -8.7136 -8.7136 0.8706 0.8706 1.0388 1.0388 3.8913 3.8913 4.2637 4.2637 6.8810 6.8810 6.9713 6.9713 7.0895 7.0895 7.1374 7.1374 11.9109 11.9109 12.1069 12.1069 12.8708 12.8708 13.6992 13.6992 k = 0.4138 0.4138 0.3933 ( 2754 PWs) bands (ev): -12.6972 -12.6972 -12.6583 -12.6583 -12.5545 -12.5545 -12.5505 -12.5505 -11.7546 -11.7546 -11.7008 -11.7008 -11.5406 -11.5406 -11.5336 -11.5336 -11.4900 -11.4900 -11.4844 -11.4844 -8.8844 -8.8844 -8.7032 -8.7032 0.8823 0.8823 1.0896 1.0896 3.8352 3.8352 4.2838 4.2838 6.8208 6.8208 6.9905 6.9905 7.1169 7.1169 7.1414 7.1414 11.9177 11.9177 12.1601 12.1601 12.7749 12.7749 13.7548 13.7548 k = 0.4052 0.4052 0.3933 ( 2758 PWs) bands (ev): -12.6985 -12.6985 -12.6556 -12.6556 -12.5550 -12.5550 -12.5507 -12.5507 -11.7568 -11.7568 -11.6977 -11.6977 -11.5415 -11.5415 -11.5340 -11.5340 -11.4904 -11.4904 -11.4842 -11.4842 -8.9093 -8.9093 -8.6918 -8.6918 0.8948 0.8948 1.1453 1.1453 3.7768 3.7768 4.3058 4.3058 6.7550 6.7550 7.0124 7.0124 7.1167 7.1167 7.1728 7.1728 11.9249 11.9249 12.2186 12.2186 12.6783 12.6783 13.8148 13.8148 k = 0.3966 0.3966 0.3933 ( 2770 PWs) bands (ev): -12.6997 -12.6997 -12.6530 -12.6530 -12.5554 -12.5554 -12.5509 -12.5509 -11.7590 -11.7590 -11.6946 -11.6946 -11.5423 -11.5423 -11.5345 -11.5345 -11.4910 -11.4910 -11.4839 -11.4839 -8.9361 -8.9361 -8.6794 -8.6794 0.9081 0.9081 1.2057 1.2057 3.7170 3.7170 4.3297 4.3297 6.6845 6.6845 7.0365 7.0365 7.1096 7.1096 7.2101 7.2101 11.9322 11.9322 12.2820 12.2820 12.5821 12.5821 13.8788 13.8788 k = 0.3879 0.3879 0.3933 ( 2752 PWs) bands (ev): -12.7009 -12.7009 -12.6502 -12.6502 -12.5559 -12.5559 -12.5512 -12.5512 -11.7610 -11.7610 -11.6915 -11.6915 -11.5431 -11.5431 -11.5350 -11.5350 -11.4915 -11.4915 -11.4837 -11.4837 -8.9647 -8.9647 -8.6661 -8.6661 0.9220 0.9220 1.2708 1.2708 3.6564 3.6564 4.3556 4.3556 6.6099 6.6099 7.0625 7.0625 7.1012 7.1012 7.2474 7.2474 11.9392 11.9392 12.3490 12.3490 12.4883 12.4883 13.9464 13.9464 k = 0.3793 0.3793 0.3933 ( 2752 PWs) bands (ev): -12.7021 -12.7021 -12.6475 -12.6475 -12.5564 -12.5564 -12.5515 -12.5515 -11.7630 -11.7630 -11.6883 -11.6883 -11.5439 -11.5439 -11.5356 -11.5356 -11.4921 -11.4921 -11.4835 -11.4835 -8.9951 -8.9951 -8.6519 -8.6519 0.9362 0.9362 1.3403 1.3403 3.5955 3.5955 4.3834 4.3834 6.5317 6.5317 7.0894 7.0894 7.0929 7.0929 7.2838 7.2838 11.9453 11.9453 12.3807 12.3807 12.4363 12.4363 14.0173 14.0173 k = 0.3707 0.3707 0.3933 ( 2752 PWs) bands (ev): -12.7032 -12.7032 -12.6446 -12.6446 -12.5568 -12.5568 -12.5519 -12.5519 -11.7649 -11.7649 -11.6851 -11.6851 -11.5447 -11.5447 -11.5362 -11.5362 -11.4927 -11.4927 -11.4833 -11.4833 -9.0270 -9.0270 -8.6368 -8.6368 0.9507 0.9507 1.4141 1.4141 3.5350 3.5350 4.4131 4.4131 6.4503 6.4503 7.0818 7.0818 7.1200 7.1200 7.3186 7.3186 11.9492 11.9492 12.2992 12.2992 12.5055 12.5055 14.0909 14.0909 k = 0.3621 0.3621 0.3933 ( 2758 PWs) bands (ev): -12.7043 -12.7043 -12.6418 -12.6418 -12.5573 -12.5573 -12.5522 -12.5522 -11.7668 -11.7668 -11.6818 -11.6818 -11.5455 -11.5455 -11.5369 -11.5369 -11.4934 -11.4934 -11.4831 -11.4831 -9.0603 -9.0603 -8.6209 -8.6209 0.9653 0.9653 1.4922 1.4922 3.4755 3.4755 4.4445 4.4445 6.3660 6.3660 7.0713 7.0713 7.1510 7.1510 7.3515 7.3515 11.9477 11.9477 12.2178 12.2178 12.5851 12.5851 14.1667 14.1667 k = 0.3534 0.3534 0.3933 ( 2758 PWs) bands (ev): -12.7053 -12.7053 -12.6389 -12.6389 -12.5577 -12.5577 -12.5526 -12.5526 -11.7685 -11.7685 -11.6785 -11.6785 -11.5462 -11.5462 -11.5376 -11.5376 -11.4941 -11.4941 -11.4830 -11.4830 -9.0951 -9.0951 -8.6041 -8.6041 0.9796 0.9796 1.5742 1.5742 3.4174 3.4174 4.4777 4.4777 6.2793 6.2793 7.0602 7.0602 7.1834 7.1834 7.3823 7.3823 11.9342 11.9342 12.1498 12.1498 12.6678 12.6678 14.2440 14.2440 k = 0.3448 0.3448 0.3933 ( 2762 PWs) bands (ev): -12.7063 -12.7063 -12.6360 -12.6360 -12.5582 -12.5582 -12.5531 -12.5531 -11.7701 -11.7701 -11.6751 -11.6751 -11.5469 -11.5469 -11.5383 -11.5383 -11.4948 -11.4948 -11.4830 -11.4830 -9.1310 -9.1310 -8.5867 -8.5867 0.9935 0.9935 1.6601 1.6601 3.3612 3.3612 4.5126 4.5126 6.1905 6.1905 7.0487 7.0487 7.2170 7.2170 7.4107 7.4107 11.8989 11.8989 12.1060 12.1060 12.7520 12.7520 14.3215 14.3215 k = 0.3362 0.3362 0.3933 ( 2758 PWs) bands (ev): -12.7073 -12.7073 -12.6330 -12.6330 -12.5586 -12.5586 -12.5535 -12.5535 -11.7716 -11.7716 -11.6717 -11.6717 -11.5476 -11.5476 -11.5390 -11.5390 -11.4955 -11.4955 -11.4829 -11.4829 -9.1680 -9.1680 -8.5685 -8.5685 1.0068 1.0068 1.7496 1.7496 3.3076 3.3076 4.5491 4.5491 6.1000 6.1000 7.0367 7.0367 7.2518 7.2518 7.4367 7.4367 11.8404 11.8404 12.0880 12.0880 12.8359 12.8359 14.3968 14.3968 k = 0.3276 0.3276 0.3933 ( 2752 PWs) bands (ev): -12.7082 -12.7082 -12.6300 -12.6300 -12.5590 -12.5590 -12.5540 -12.5540 -11.7730 -11.7730 -11.6683 -11.6683 -11.5483 -11.5483 -11.5398 -11.5398 -11.4963 -11.4963 -11.4830 -11.4830 -9.2060 -9.2060 -8.5496 -8.5496 1.0192 1.0192 1.8427 1.8427 3.2569 3.2569 4.5872 4.5872 6.0080 6.0080 7.0243 7.0243 7.2875 7.2875 7.4601 7.4601 11.7687 11.7687 12.0859 12.0859 12.9177 12.9177 14.4649 14.4649 k = 0.3190 0.3190 0.3933 ( 2750 PWs) bands (ev): -12.7091 -12.7091 -12.6271 -12.6271 -12.5594 -12.5594 -12.5545 -12.5545 -11.7743 -11.7743 -11.6647 -11.6647 -11.5490 -11.5490 -11.5405 -11.5405 -11.4971 -11.4971 -11.4830 -11.4830 -9.2449 -9.2449 -8.5302 -8.5302 1.0303 1.0303 1.9392 1.9392 3.2096 3.2096 4.6268 4.6268 5.9150 5.9150 7.0114 7.0114 7.3238 7.3238 7.4810 7.4810 11.6924 11.6924 12.0916 12.0916 12.9949 12.9949 14.5170 14.5170 k = 0.3103 0.3103 0.3933 ( 2754 PWs) bands (ev): -12.7099 -12.7099 -12.6241 -12.6241 -12.5598 -12.5598 -12.5549 -12.5549 -11.7755 -11.7755 -11.6612 -11.6612 -11.5496 -11.5496 -11.5412 -11.5412 -11.4979 -11.4979 -11.4832 -11.4832 -9.2844 -9.2844 -8.5101 -8.5101 1.0399 1.0399 2.0388 2.0388 3.1660 3.1660 4.6679 4.6679 5.8211 5.8211 6.9983 6.9983 7.3606 7.3606 7.4993 7.4993 11.6155 11.6155 12.1011 12.1011 13.0646 13.0646 14.5481 14.5481 k = 0.3017 0.3017 0.3933 ( 2754 PWs) bands (ev): -12.7108 -12.7108 -12.6212 -12.6212 -12.5601 -12.5601 -12.5554 -12.5554 -11.7765 -11.7765 -11.6575 -11.6575 -11.5502 -11.5502 -11.5419 -11.5419 -11.4987 -11.4987 -11.4833 -11.4833 -9.3247 -9.3247 -8.4896 -8.4896 1.0478 1.0478 2.1414 2.1414 3.1267 3.1267 4.7103 4.7103 5.7268 5.7268 6.9848 6.9848 7.3975 7.3975 7.5152 7.5152 11.5399 11.5399 12.1128 12.1128 13.1234 13.1234 14.5686 14.5686 k = 0.2931 0.2931 0.3933 ( 2758 PWs) bands (ev): -12.7116 -12.7116 -12.6182 -12.6182 -12.5605 -12.5605 -12.5558 -12.5558 -11.7774 -11.7774 -11.6538 -11.6538 -11.5509 -11.5509 -11.5425 -11.5425 -11.4995 -11.4995 -11.4836 -11.4836 -9.3654 -9.3654 -8.4686 -8.4686 1.0537 1.0537 2.2469 2.2469 3.0920 3.0920 4.7540 4.7540 5.6322 5.6322 6.9710 6.9710 7.4343 7.4343 7.5287 7.5287 11.4668 11.4668 12.1259 12.1259 13.1681 13.1681 14.5920 14.5920 k = 0.2845 0.2845 0.3933 ( 2758 PWs) bands (ev): -12.7123 -12.7123 -12.6153 -12.6153 -12.5608 -12.5608 -12.5562 -12.5562 -11.7782 -11.7782 -11.6501 -11.6501 -11.5515 -11.5515 -11.5431 -11.5431 -11.5004 -11.5004 -11.4838 -11.4838 -9.4065 -9.4065 -8.4471 -8.4471 1.0573 1.0573 2.3550 2.3550 3.0621 3.0621 4.7989 4.7989 5.5377 5.5377 6.9569 6.9569 7.4705 7.4705 7.5401 7.5401 11.3968 11.3968 12.1398 12.1398 13.1959 13.1959 14.6266 14.6266 k = 0.2759 0.2759 0.3933 ( 2758 PWs) bands (ev): -12.7131 -12.7131 -12.6125 -12.6125 -12.5612 -12.5612 -12.5565 -12.5565 -11.7788 -11.7788 -11.6462 -11.6462 -11.5522 -11.5522 -11.5436 -11.5436 -11.5012 -11.5012 -11.4842 -11.4842 -9.4479 -9.4479 -8.4254 -8.4254 1.0584 1.0584 2.4656 2.4656 3.0374 3.0374 4.8450 4.8450 5.4434 5.4434 6.9426 6.9426 7.5055 7.5055 7.5498 7.5498 11.3305 11.3305 12.1543 12.1543 13.2051 13.2051 14.6759 14.6759 k = 0.2672 0.2672 0.3933 ( 2758 PWs) bands (ev): -12.7138 -12.7138 -12.6097 -12.6097 -12.5615 -12.5615 -12.5567 -12.5567 -11.7793 -11.7793 -11.6423 -11.6423 -11.5529 -11.5529 -11.5441 -11.5441 -11.5021 -11.5021 -11.4846 -11.4846 -9.4895 -9.4895 -8.4033 -8.4033 1.0570 1.0570 2.5785 2.5785 3.0181 3.0181 4.8920 4.8920 5.3497 5.3497 6.9281 6.9281 7.5367 7.5367 7.5599 7.5599 11.2684 11.2684 12.1692 12.1692 13.1958 13.1958 14.7407 14.7407 k = 0.2586 0.2586 0.3933 ( 2750 PWs) bands (ev): -12.7146 -12.7146 -12.6070 -12.6070 -12.5619 -12.5619 -12.5569 -12.5569 -11.7797 -11.7797 -11.6384 -11.6384 -11.5536 -11.5536 -11.5444 -11.5444 -11.5029 -11.5029 -11.4850 -11.4850 -9.5311 -9.5311 -8.3810 -8.3810 1.0529 1.0529 2.6932 2.6932 3.0044 3.0044 4.9400 4.9400 5.2567 5.2567 6.9134 6.9134 7.5541 7.5541 7.5804 7.5804 11.2110 11.2110 12.1843 12.1843 13.1693 13.1693 14.8197 14.8197 k = 0.2500 0.2500 0.3933 ( 2754 PWs) bands (ev): -12.7152 -12.7152 -12.6044 -12.6044 -12.5623 -12.5623 -12.5569 -12.5569 -11.7799 -11.7799 -11.6343 -11.6343 -11.5543 -11.5543 -11.5447 -11.5447 -11.5038 -11.5038 -11.4855 -11.4855 -9.5727 -9.5727 -8.3586 -8.3586 1.0461 1.0461 2.8092 2.8092 2.9968 2.9968 4.9888 4.9888 5.1647 5.1647 6.8986 6.8986 7.5595 7.5595 7.6090 7.6090 11.1588 11.1588 12.1994 12.1994 13.1279 13.1279 14.9104 14.9104 k = 0.2414 0.2414 0.3933 ( 2762 PWs) bands (ev): -12.7159 -12.7159 -12.6019 -12.6019 -12.5627 -12.5627 -12.5569 -12.5569 -11.7799 -11.7799 -11.6301 -11.6301 -11.5551 -11.5551 -11.5448 -11.5448 -11.5046 -11.5046 -11.4861 -11.4861 -9.6142 -9.6142 -8.3360 -8.3360 1.0366 1.0366 2.9226 2.9226 2.9991 2.9991 5.0378 5.0378 5.0744 5.0744 6.8836 6.8836 7.5616 7.5616 7.6368 7.6368 11.1121 11.1121 12.2145 12.2145 13.0740 13.0740 15.0095 15.0095 k = 0.2328 0.2328 0.3933 ( 2758 PWs) bands (ev): -12.7166 -12.7166 -12.5995 -12.5995 -12.5631 -12.5631 -12.5567 -12.5567 -11.7799 -11.7799 -11.6259 -11.6259 -11.5559 -11.5559 -11.5449 -11.5449 -11.5055 -11.5055 -11.4867 -11.4867 -9.6555 -9.6555 -8.3134 -8.3134 1.0246 1.0246 2.9824 2.9824 3.0617 3.0617 4.9840 4.9840 5.0889 5.0889 6.8685 6.8685 7.5617 7.5617 7.6620 7.6620 11.0715 11.0715 12.2293 12.2293 13.0102 13.0102 15.1138 15.1138 k = 0.2241 0.2241 0.3933 ( 2758 PWs) bands (ev): -12.7172 -12.7172 -12.5972 -12.5972 -12.5635 -12.5635 -12.5564 -12.5564 -11.7796 -11.7796 -11.6216 -11.6216 -11.5567 -11.5567 -11.5449 -11.5449 -11.5063 -11.5063 -11.4873 -11.4873 -9.6964 -9.6964 -8.2908 -8.2908 1.0102 1.0102 2.9942 2.9942 3.1787 3.1787 4.8962 4.8962 5.1395 5.1395 6.8534 6.8534 7.5602 7.5602 7.6838 7.6838 11.0374 11.0374 12.2438 12.2438 12.9387 12.9387 15.2195 15.2195 k = 0.2155 0.2155 0.3933 ( 2756 PWs) bands (ev): -12.7178 -12.7178 -12.5952 -12.5952 -12.5638 -12.5638 -12.5560 -12.5560 -11.7793 -11.7793 -11.6172 -11.6172 -11.5575 -11.5575 -11.5449 -11.5449 -11.5071 -11.5071 -11.4880 -11.4880 -9.7369 -9.7369 -8.2683 -8.2683 0.9938 0.9938 3.0066 3.0066 3.3012 3.3012 4.8100 4.8100 5.1905 5.1905 6.8381 6.8381 7.5575 7.5575 7.7016 7.7016 11.0103 11.0103 12.2576 12.2576 12.8614 12.8614 15.3220 15.3220 k = 0.2069 0.2069 0.3933 ( 2752 PWs) bands (ev): -12.7184 -12.7184 -12.5933 -12.5933 -12.5641 -12.5641 -12.5556 -12.5556 -11.7788 -11.7788 -11.6128 -11.6128 -11.5583 -11.5583 -11.5447 -11.5447 -11.5078 -11.5078 -11.4887 -11.4887 -9.7769 -9.7769 -8.2460 -8.2460 0.9754 0.9754 3.0224 3.0224 3.4257 3.4257 4.7258 4.7258 5.2419 5.2419 6.8228 6.8228 7.5536 7.5536 7.7149 7.7149 10.9905 10.9905 12.2703 12.2703 12.7802 12.7802 15.4142 15.4142 k = 0.1983 0.1983 0.3933 ( 2756 PWs) bands (ev): -12.7190 -12.7190 -12.5916 -12.5916 -12.5644 -12.5644 -12.5550 -12.5550 -11.7782 -11.7782 -11.6082 -11.6082 -11.5591 -11.5591 -11.5445 -11.5445 -11.5085 -11.5085 -11.4895 -11.4895 -9.8163 -9.8163 -8.2239 -8.2239 0.9554 0.9554 3.0420 3.0420 3.5514 3.5514 4.6437 4.6437 5.2934 5.2934 6.8075 6.8075 7.5487 7.5487 7.7232 7.7232 10.9784 10.9784 12.2812 12.2812 12.6970 12.6970 15.4840 15.4840 k = 0.1897 0.1897 0.3933 ( 2748 PWs) bands (ev): -12.7196 -12.7196 -12.5901 -12.5901 -12.5645 -12.5645 -12.5543 -12.5543 -11.7775 -11.7775 -11.6036 -11.6036 -11.5599 -11.5599 -11.5443 -11.5443 -11.5092 -11.5092 -11.4903 -11.4903 -9.8550 -9.8550 -8.2020 -8.2020 0.9341 0.9341 3.0648 3.0648 3.6782 3.6782 4.5638 4.5638 5.3449 5.3449 6.7921 6.7921 7.5430 7.5430 7.7261 7.7261 10.9744 10.9744 12.2890 12.2890 12.6144 12.6144 15.5125 15.5125 k = 0.1810 0.1810 0.3933 ( 2748 PWs) bands (ev): -12.7201 -12.7201 -12.5888 -12.5888 -12.5646 -12.5646 -12.5534 -12.5534 -11.7767 -11.7767 -11.5989 -11.5989 -11.5607 -11.5607 -11.5440 -11.5440 -11.5099 -11.5099 -11.4912 -11.4912 -9.8929 -9.8929 -8.1806 -8.1806 0.9118 0.9118 3.0907 3.0907 3.8057 3.8057 4.4863 4.4863 5.3963 5.3963 6.7767 6.7767 7.5366 7.5366 7.7232 7.7232 10.9786 10.9786 12.2903 12.2903 12.5365 12.5365 15.4895 15.4895 k = 0.1724 0.1724 0.3933 ( 2752 PWs) bands (ev): -12.7206 -12.7206 -12.5878 -12.5878 -12.5647 -12.5647 -12.5525 -12.5525 -11.7757 -11.7757 -11.5942 -11.5942 -11.5615 -11.5615 -11.5436 -11.5436 -11.5104 -11.5104 -11.4920 -11.4920 -9.9299 -9.9299 -8.1595 -8.1595 0.8888 0.8888 3.1191 3.1191 3.9338 3.9338 4.4114 4.4114 5.4474 5.4474 6.7613 6.7613 7.5295 7.5295 7.7143 7.7143 10.9912 10.9912 12.2772 12.2772 12.4719 12.4719 15.4265 15.4265 k = 0.1638 0.1638 0.3933 ( 2752 PWs) bands (ev): -12.7211 -12.7211 -12.5870 -12.5870 -12.5646 -12.5646 -12.5516 -12.5516 -11.7748 -11.7748 -11.5895 -11.5895 -11.5622 -11.5622 -11.5433 -11.5433 -11.5110 -11.5110 -11.4929 -11.4929 -9.9660 -9.9660 -8.1390 -8.1390 0.8654 0.8654 3.1496 3.1496 4.0622 4.0622 4.3393 4.3393 5.4982 5.4982 6.7458 6.7458 7.5220 7.5220 7.6992 7.6992 11.0121 11.0121 12.2385 12.2385 12.4328 12.4328 15.3401 15.3401 k = 0.1552 0.1552 0.3933 ( 2742 PWs) bands (ev): -12.7216 -12.7216 -12.5863 -12.5863 -12.5645 -12.5645 -12.5505 -12.5505 -11.7737 -11.7737 -11.5848 -11.5848 -11.5629 -11.5629 -11.5428 -11.5428 -11.5114 -11.5114 -11.4939 -11.4939 -10.0010 -10.0010 -8.1190 -8.1190 0.8419 0.8419 3.1819 3.1819 4.1906 4.1906 4.2704 4.2704 5.5484 5.5484 6.7304 6.7304 7.5140 7.5140 7.6778 7.6778 11.0412 11.0412 12.1750 12.1750 12.4190 12.4190 15.2397 15.2397 k = 0.1466 0.1466 0.3933 ( 2742 PWs) bands (ev): -12.7221 -12.7221 -12.5859 -12.5859 -12.5643 -12.5643 -12.5494 -12.5494 -11.7726 -11.7726 -11.5801 -11.5801 -11.5635 -11.5635 -11.5424 -11.5424 -11.5117 -11.5117 -11.4948 -11.4948 -10.0349 -10.0349 -8.0997 -8.0997 0.8184 0.8184 3.2154 3.2154 4.2031 4.2031 4.3203 4.3203 5.5979 5.5979 6.7149 6.7149 7.5056 7.5056 7.6502 7.6502 11.0783 11.0783 12.0993 12.0993 12.4186 12.4186 15.1301 15.1301 k = 0.1379 0.1379 0.3933 ( 2742 PWs) bands (ev): -12.7225 -12.7225 -12.5856 -12.5856 -12.5641 -12.5641 -12.5483 -12.5483 -11.7714 -11.7714 -11.5756 -11.5756 -11.5639 -11.5639 -11.5419 -11.5419 -11.5120 -11.5120 -11.4957 -11.4957 -10.0675 -10.0675 -8.0810 -8.0810 0.7952 0.7952 3.2497 3.2497 4.1402 4.1402 4.4489 4.4489 5.6466 5.6466 6.6994 6.6994 7.4968 7.4968 7.6166 7.6166 11.1230 11.1230 12.0200 12.0200 12.4237 12.4237 15.0138 15.0139 k = 0.1293 0.1293 0.3933 ( 2744 PWs) bands (ev): -12.7229 -12.7229 -12.5854 -12.5854 -12.5638 -12.5638 -12.5472 -12.5472 -11.7702 -11.7702 -11.5716 -11.5716 -11.5640 -11.5640 -11.5414 -11.5414 -11.5121 -11.5121 -11.4967 -11.4967 -10.0988 -10.0988 -8.0631 -8.0631 0.7726 0.7726 3.2844 3.2844 4.0803 4.0803 4.5773 4.5773 5.6944 5.6944 6.6839 6.6839 7.4873 7.4873 7.5776 7.5776 11.1746 11.1746 11.9411 11.9411 12.4312 12.4312 14.8924 14.8924 k = 0.1207 0.1207 0.3933 ( 2744 PWs) bands (ev): -12.7233 -12.7233 -12.5854 -12.5854 -12.5635 -12.5635 -12.5461 -12.5461 -11.7691 -11.7691 -11.5688 -11.5688 -11.5629 -11.5629 -11.5408 -11.5408 -11.5121 -11.5121 -11.4977 -11.4977 -10.1287 -10.1287 -8.0460 -8.0460 0.7507 0.7507 3.3191 3.3191 4.0237 4.0237 4.7054 4.7054 5.7410 5.7410 6.6684 6.6684 7.4757 7.4757 7.5348 7.5348 11.2321 11.2321 11.8651 11.8651 12.4397 12.4397 14.7669 14.7669 k = 0.1121 0.1121 0.3933 ( 2740 PWs) bands (ev): -12.7237 -12.7237 -12.5854 -12.5854 -12.5632 -12.5632 -12.5450 -12.5450 -11.7679 -11.7679 -11.5679 -11.5679 -11.5600 -11.5600 -11.5403 -11.5403 -11.5120 -11.5120 -11.4986 -11.4986 -10.1571 -10.1571 -8.0298 -8.0298 0.7297 0.7297 3.3533 3.3533 3.9707 3.9707 4.8329 4.8329 5.7863 5.7863 6.6528 6.6528 7.4545 7.4545 7.4961 7.4961 11.2938 11.2938 11.7944 11.7944 12.4485 12.4485 14.6380 14.6380 k = 0.1034 0.1034 0.3933 ( 2744 PWs) bands (ev): -12.7240 -12.7240 -12.5855 -12.5855 -12.5628 -12.5628 -12.5439 -12.5439 -11.7667 -11.7667 -11.5680 -11.5680 -11.5564 -11.5564 -11.5396 -11.5396 -11.5117 -11.5117 -11.4995 -11.4995 -10.1839 -10.1839 -8.0146 -8.0146 0.7097 0.7097 3.3867 3.3867 3.9213 3.9213 4.9596 4.9596 5.8302 5.8302 6.6372 6.6372 7.4097 7.4097 7.4758 7.4758 11.3561 11.3561 11.7329 11.7329 12.4573 12.4573 14.5065 14.5065 k = 0.0948 0.0948 0.3933 ( 2748 PWs) bands (ev): -12.7243 -12.7243 -12.5856 -12.5856 -12.5625 -12.5625 -12.5429 -12.5429 -11.7656 -11.7656 -11.5683 -11.5683 -11.5530 -11.5530 -11.5389 -11.5389 -11.5112 -11.5112 -11.5004 -11.5004 -10.2090 -10.2090 -8.0003 -8.0003 0.6909 0.6909 3.4189 3.4189 3.8757 3.8757 5.0854 5.0854 5.8725 5.8725 6.6217 6.6217 7.3507 7.3507 7.4649 7.4649 11.4102 11.4102 11.6894 11.6894 12.4661 12.4661 14.3729 14.3729 k = 0.0862 0.0862 0.3933 ( 2750 PWs) bands (ev): -12.7246 -12.7246 -12.5857 -12.5857 -12.5622 -12.5622 -12.5419 -12.5419 -11.7645 -11.7645 -11.5687 -11.5687 -11.5498 -11.5498 -11.5381 -11.5381 -11.5106 -11.5106 -11.5013 -11.5013 -10.2323 -10.2323 -7.9871 -7.9871 0.6734 0.6734 3.4493 3.4493 3.8340 3.8340 5.2101 5.2101 5.9130 5.9130 6.6061 6.6061 7.2847 7.2847 7.4565 7.4565 11.4373 11.4373 11.6826 11.6826 12.4748 12.4748 14.2379 14.2379 k = 0.0776 0.0776 0.3933 ( 2750 PWs) bands (ev): -12.7249 -12.7249 -12.5859 -12.5859 -12.5619 -12.5619 -12.5410 -12.5410 -11.7635 -11.7635 -11.5690 -11.5690 -11.5472 -11.5472 -11.5372 -11.5372 -11.5098 -11.5098 -11.5020 -11.5020 -10.2537 -10.2537 -7.9750 -7.9750 0.6573 0.6573 3.4777 3.4777 3.7963 3.7963 5.3335 5.3335 5.9515 5.9515 6.5907 6.5907 7.2137 7.2137 7.4491 7.4491 11.4257 11.4257 11.7240 11.7240 12.4835 12.4835 14.1021 14.1021 k = 0.0690 0.0690 0.3933 ( 2750 PWs) bands (ev): -12.7252 -12.7252 -12.5861 -12.5861 -12.5616 -12.5616 -12.5402 -12.5402 -11.7625 -11.7625 -11.5694 -11.5694 -11.5451 -11.5451 -11.5361 -11.5361 -11.5088 -11.5088 -11.5027 -11.5027 -10.2732 -10.2732 -7.9640 -7.9640 0.6426 0.6426 3.5036 3.5036 3.7630 3.7630 5.4555 5.4555 5.9877 5.9877 6.5754 6.5754 7.1381 7.1381 7.4425 7.4425 11.3922 11.3922 11.7963 11.7963 12.4925 12.4925 13.9662 13.9662 k = 0.0603 0.0603 0.3933 ( 2740 PWs) bands (ev): -12.7254 -12.7254 -12.5863 -12.5863 -12.5613 -12.5613 -12.5395 -12.5395 -11.7617 -11.7617 -11.5697 -11.5697 -11.5436 -11.5436 -11.5349 -11.5349 -11.5079 -11.5079 -11.5032 -11.5032 -10.2906 -10.2906 -7.9542 -7.9542 0.6295 0.6295 3.5264 3.5264 3.7341 3.7341 5.5757 5.5757 6.0215 6.0215 6.5604 6.5604 7.0586 7.0586 7.4367 7.4367 11.3531 11.3531 11.8822 11.8822 12.5022 12.5022 13.8309 13.8309 k = 0.0517 0.0517 0.3933 ( 2736 PWs) bands (ev): -12.7256 -12.7256 -12.5864 -12.5864 -12.5611 -12.5611 -12.5388 -12.5388 -11.7609 -11.7609 -11.5700 -11.5700 -11.5425 -11.5425 -11.5337 -11.5337 -11.5072 -11.5072 -11.5032 -11.5032 -10.3059 -10.3059 -7.9457 -7.9457 0.6181 0.6181 3.5456 3.5456 3.7102 3.7102 5.6940 5.6940 6.0524 6.0524 6.5458 6.5458 6.9755 6.9755 7.4316 7.4316 11.3152 11.3152 11.9738 11.9738 12.5133 12.5133 13.6972 13.6972 k = 0.0431 0.0431 0.3933 ( 2728 PWs) bands (ev): -12.7257 -12.7257 -12.5866 -12.5866 -12.5609 -12.5609 -12.5383 -12.5383 -11.7602 -11.7602 -11.5702 -11.5702 -11.5418 -11.5418 -11.5326 -11.5326 -11.5069 -11.5069 -11.5028 -11.5028 -10.3190 -10.3190 -7.9384 -7.9384 0.6083 0.6083 3.5605 3.5605 3.6916 3.6916 5.8100 5.8100 6.0802 6.0802 6.5319 6.5319 6.8894 6.8894 7.4271 7.4271 11.2811 11.2811 12.0660 12.0660 12.5273 12.5273 13.5661 13.5661 k = 0.0345 0.0345 0.3933 ( 2728 PWs) bands (ev): -12.7259 -12.7259 -12.5867 -12.5867 -12.5607 -12.5607 -12.5378 -12.5378 -11.7597 -11.7597 -11.5704 -11.5704 -11.5412 -11.5412 -11.5316 -11.5316 -11.5071 -11.5071 -11.5020 -11.5020 -10.3298 -10.3298 -7.9324 -7.9324 0.6002 0.6002 3.5707 3.5707 3.6787 3.6787 5.9231 5.9231 6.1043 6.1043 6.5188 6.5188 6.8012 6.8012 7.4235 7.4235 11.2523 11.2523 12.1535 12.1535 12.5466 12.5466 13.4396 13.4396 k = 0.0259 0.0259 0.3933 ( 2728 PWs) bands (ev): -12.7260 -12.7260 -12.5868 -12.5868 -12.5606 -12.5606 -12.5375 -12.5375 -11.7592 -11.7592 -11.5706 -11.5706 -11.5409 -11.5409 -11.5309 -11.5309 -11.5073 -11.5073 -11.5012 -11.5012 -10.3382 -10.3382 -7.9277 -7.9277 0.5939 0.5939 3.5762 3.5762 3.6713 3.6713 6.0322 6.0322 6.1241 6.1241 6.5066 6.5066 6.7123 6.7123 7.4206 7.4206 11.2293 11.2293 12.2297 12.2297 12.5743 12.5743 13.3206 13.3206 k = 0.0172 0.0172 0.3933 ( 2724 PWs) bands (ev): -12.7260 -12.7260 -12.5869 -12.5869 -12.5605 -12.5605 -12.5372 -12.5372 -11.7589 -11.7589 -11.5707 -11.5707 -11.5406 -11.5406 -11.5304 -11.5304 -11.5075 -11.5075 -11.5005 -11.5005 -10.3443 -10.3443 -7.9243 -7.9243 0.5893 0.5893 3.5782 3.5782 3.6680 3.6680 6.1326 6.1326 6.1416 6.1416 6.4938 6.4938 6.6271 6.6271 7.4185 7.4185 11.2127 11.2127 12.2867 12.2867 12.6121 12.6121 13.2151 13.2151 k = 0.0086 0.0086 0.3933 ( 2724 PWs) bands (ev): -12.7261 -12.7261 -12.5869 -12.5869 -12.5604 -12.5604 -12.5371 -12.5371 -11.7587 -11.7587 -11.5708 -11.5708 -11.5405 -11.5405 -11.5300 -11.5300 -11.5076 -11.5076 -11.5000 -11.5000 -10.3480 -10.3480 -7.9223 -7.9223 0.5866 0.5866 3.5784 3.5784 3.6670 3.6670 6.1476 6.1476 6.2248 6.2248 6.4740 6.4740 6.5606 6.5606 7.4173 7.4173 11.2026 11.2026 12.3204 12.3204 12.6517 12.6517 13.1355 13.1355 k = 0.0000 0.0000 0.3933 ( 2724 PWs) bands (ev): -12.7261 -12.7261 -12.5869 -12.5869 -12.5604 -12.5604 -12.5370 -12.5370 -11.7587 -11.7587 -11.5708 -11.5708 -11.5405 -11.5405 -11.5299 -11.5299 -11.5077 -11.5077 -11.4998 -11.4998 -10.3492 -10.3492 -7.9216 -7.9216 0.5857 0.5857 3.5783 3.5783 3.6669 3.6669 6.1508 6.1508 6.2686 6.2686 6.4536 6.4536 6.5379 6.5379 7.4168 7.4168 11.1992 11.1992 12.3312 12.3312 12.6704 12.6704 13.1040 13.1040 k = 0.0000 0.5000-0.0000 ( 2724 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5617 -12.5617 -12.5617 -12.5617 -11.7105 -11.7105 -11.7105 -11.7105 -11.5476 -11.5476 -11.5476 -11.5476 -11.4980 -11.4980 -11.4980 -11.4980 -9.0214 -9.0214 -9.0214 -9.0214 2.2074 2.2074 2.2074 2.2074 4.7326 4.7326 4.7326 4.7326 4.9037 4.9037 4.9037 4.9037 6.9154 6.9154 6.9154 6.9154 12.6175 12.6175 12.6175 12.6175 15.1498 15.1498 15.1498 15.1498 k = 0.0000 0.5000 0.0119 ( 2724 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5617 -12.5617 -12.5617 -12.5617 -11.7105 -11.7105 -11.7105 -11.7105 -11.5476 -11.5476 -11.5476 -11.5476 -11.4980 -11.4980 -11.4980 -11.4980 -9.0213 -9.0213 -9.0213 -9.0213 2.2071 2.2071 2.2071 2.2071 4.7311 4.7311 4.7311 4.7311 4.9037 4.9037 4.9037 4.9037 6.9179 6.9179 6.9179 6.9179 12.6161 12.6161 12.6161 12.6161 15.1493 15.1493 15.1493 15.1493 k = 0.0000 0.5000 0.0238 ( 2732 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5617 -12.5617 -12.5617 -12.5617 -11.7105 -11.7105 -11.7105 -11.7105 -11.5477 -11.5477 -11.5477 -11.5477 -11.4979 -11.4979 -11.4979 -11.4979 -9.0212 -9.0212 -9.0212 -9.0212 2.2063 2.2063 2.2063 2.2063 4.7268 4.7268 4.7268 4.7268 4.9038 4.9038 4.9038 4.9038 6.9254 6.9254 6.9254 6.9254 12.6120 12.6120 12.6120 12.6120 15.1476 15.1476 15.1476 15.1476 k = 0.0000 0.5000 0.0358 ( 2732 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5618 -12.5618 -12.5618 -12.5618 -11.7105 -11.7105 -11.7105 -11.7105 -11.5479 -11.5479 -11.5479 -11.5479 -11.4977 -11.4977 -11.4977 -11.4977 -9.0209 -9.0209 -9.0209 -9.0209 2.2048 2.2048 2.2048 2.2048 4.7198 4.7198 4.7198 4.7198 4.9039 4.9039 4.9039 4.9039 6.9377 6.9377 6.9377 6.9377 12.6051 12.6051 12.6051 12.6051 15.1448 15.1448 15.1448 15.1448 k = 0.0000 0.5000 0.0477 ( 2732 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5619 -12.5619 -12.5619 -12.5619 -11.7104 -11.7104 -11.7104 -11.7104 -11.5481 -11.5481 -11.5481 -11.5481 -11.4975 -11.4975 -11.4975 -11.4975 -9.0206 -9.0206 -9.0206 -9.0206 2.2029 2.2029 2.2029 2.2029 4.7102 4.7102 4.7102 4.7102 4.9041 4.9041 4.9041 4.9041 6.9546 6.9546 6.9546 6.9546 12.5955 12.5955 12.5955 12.5955 15.1409 15.1409 15.1409 15.1409 k = 0.0000 0.5000 0.0596 ( 2740 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5620 -12.5620 -12.5620 -12.5620 -11.7103 -11.7103 -11.7103 -11.7103 -11.5484 -11.5484 -11.5484 -11.5484 -11.4972 -11.4972 -11.4972 -11.4972 -9.0201 -9.0201 -9.0201 -9.0201 2.2003 2.2003 2.2003 2.2003 4.6981 4.6981 4.6981 4.6981 4.9044 4.9044 4.9044 4.9044 6.9759 6.9759 6.9759 6.9759 12.5835 12.5835 12.5835 12.5835 15.1358 15.1358 15.1358 15.1358 k = 0.0000 0.5000 0.0715 ( 2736 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5622 -12.5622 -12.5622 -12.5622 -11.7102 -11.7102 -11.7102 -11.7102 -11.5487 -11.5487 -11.5487 -11.5487 -11.4968 -11.4968 -11.4968 -11.4968 -9.0195 -9.0195 -9.0195 -9.0195 2.1973 2.1973 2.1973 2.1973 4.6838 4.6838 4.6838 4.6838 4.9048 4.9048 4.9048 4.9048 7.0012 7.0012 7.0012 7.0012 12.5690 12.5690 12.5690 12.5690 15.1295 15.1295 15.1295 15.1295 k = 0.0000 0.5000 0.0834 ( 2732 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5624 -12.5624 -12.5624 -12.5624 -11.7101 -11.7101 -11.7101 -11.7101 -11.5491 -11.5491 -11.5491 -11.5491 -11.4964 -11.4964 -11.4964 -11.4964 -9.0189 -9.0189 -9.0189 -9.0189 2.1938 2.1938 2.1938 2.1938 4.6675 4.6675 4.6675 4.6675 4.9054 4.9054 4.9054 4.9054 7.0301 7.0301 7.0301 7.0301 12.5522 12.5522 12.5522 12.5522 15.1219 15.1219 15.1219 15.1219 k = 0.0000 0.5000 0.0953 ( 2732 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5626 -12.5626 -12.5626 -12.5626 -11.7100 -11.7100 -11.7100 -11.7100 -11.5495 -11.5495 -11.5495 -11.5495 -11.4960 -11.4960 -11.4960 -11.4960 -9.0182 -9.0182 -9.0182 -9.0182 2.1897 2.1897 2.1897 2.1897 4.6496 4.6496 4.6496 4.6496 4.9062 4.9062 4.9062 4.9062 7.0624 7.0624 7.0624 7.0624 12.5334 12.5334 12.5334 12.5334 15.1130 15.1130 15.1130 15.1130 k = 0.0000 0.5000 0.1073 ( 2732 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5628 -12.5628 -12.5628 -12.5628 -11.7098 -11.7098 -11.7098 -11.7098 -11.5499 -11.5499 -11.5499 -11.5499 -11.4955 -11.4955 -11.4955 -11.4955 -9.0174 -9.0174 -9.0174 -9.0174 2.1853 2.1853 2.1853 2.1853 4.6304 4.6304 4.6304 4.6304 4.9071 4.9071 4.9071 4.9071 7.0974 7.0974 7.0974 7.0974 12.5127 12.5127 12.5127 12.5127 15.1029 15.1029 15.1029 15.1029 k = 0.0000 0.5000 0.1192 ( 2732 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5631 -12.5631 -12.5631 -12.5631 -11.7097 -11.7097 -11.7097 -11.7097 -11.5504 -11.5504 -11.5504 -11.5504 -11.4950 -11.4950 -11.4950 -11.4950 -9.0165 -9.0165 -9.0165 -9.0165 2.1804 2.1804 2.1804 2.1804 4.6101 4.6101 4.6101 4.6101 4.9081 4.9081 4.9081 4.9081 7.1349 7.1349 7.1350 7.1350 12.4903 12.4903 12.4903 12.4903 15.0914 15.0914 15.0914 15.0914 k = 0.0000 0.5000 0.1311 ( 2736 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5633 -12.5633 -12.5633 -12.5633 -11.7095 -11.7095 -11.7095 -11.7095 -11.5509 -11.5509 -11.5509 -11.5509 -11.4945 -11.4945 -11.4945 -11.4945 -9.0155 -9.0155 -9.0155 -9.0155 2.1752 2.1752 2.1752 2.1752 4.5890 4.5890 4.5890 4.5890 4.9093 4.9093 4.9093 4.9093 7.1744 7.1744 7.1745 7.1745 12.4665 12.4665 12.4665 12.4665 15.0787 15.0787 15.0787 15.0787 k = 0.0000 0.5000 0.1430 ( 2740 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5636 -12.5636 -12.5636 -12.5636 -11.7093 -11.7093 -11.7093 -11.7093 -11.5514 -11.5514 -11.5514 -11.5514 -11.4939 -11.4939 -11.4939 -11.4939 -9.0145 -9.0145 -9.0145 -9.0145 2.1696 2.1696 2.1696 2.1696 4.5675 4.5675 4.5675 4.5675 4.9106 4.9106 4.9106 4.9106 7.2155 7.2155 7.2155 7.2155 12.4415 12.4415 12.4415 12.4415 15.0648 15.0648 15.0648 15.0648 k = 0.0000 0.5000 0.1549 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5639 -12.5639 -12.5639 -12.5639 -11.7092 -11.7092 -11.7092 -11.7092 -11.5520 -11.5520 -11.5520 -11.5520 -11.4934 -11.4934 -11.4934 -11.4934 -9.0135 -9.0135 -9.0135 -9.0135 2.1638 2.1638 2.1638 2.1638 4.5457 4.5457 4.5457 4.5457 4.9119 4.9119 4.9119 4.9119 7.2577 7.2577 7.2577 7.2577 12.4156 12.4156 12.4156 12.4156 15.0499 15.0499 15.0499 15.0499 k = 0.0000 0.5000 0.1668 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5642 -12.5642 -12.5642 -12.5642 -11.7090 -11.7090 -11.7090 -11.7090 -11.5525 -11.5525 -11.5525 -11.5525 -11.4928 -11.4928 -11.4928 -11.4928 -9.0124 -9.0124 -9.0124 -9.0124 2.1577 2.1577 2.1577 2.1577 4.5240 4.5240 4.5240 4.5240 4.9134 4.9134 4.9134 4.9134 7.3007 7.3007 7.3007 7.3007 12.3889 12.3889 12.3889 12.3889 15.0341 15.0341 15.0341 15.0341 k = 0.0000 0.5000 0.1788 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5645 -12.5645 -12.5645 -12.5645 -11.7088 -11.7088 -11.7088 -11.7088 -11.5531 -11.5531 -11.5531 -11.5531 -11.4922 -11.4922 -11.4922 -11.4922 -9.0113 -9.0113 -9.0113 -9.0113 2.1514 2.1514 2.1514 2.1514 4.5025 4.5025 4.5025 4.5025 4.9149 4.9149 4.9149 4.9149 7.3441 7.3441 7.3441 7.3441 12.3618 12.3618 12.3618 12.3618 15.0175 15.0175 15.0175 15.0175 k = 0.0000 0.5000 0.1907 ( 2744 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5649 -12.5649 -12.5649 -12.5649 -11.7086 -11.7086 -11.7086 -11.7086 -11.5536 -11.5536 -11.5536 -11.5536 -11.4916 -11.4916 -11.4916 -11.4916 -9.0102 -9.0102 -9.0102 -9.0102 2.1451 2.1451 2.1451 2.1451 4.4814 4.4814 4.4814 4.4814 4.9165 4.9165 4.9165 4.9165 7.3874 7.3874 7.3874 7.3874 12.3345 12.3345 12.3345 12.3345 15.0005 15.0005 15.0005 15.0005 k = 0.0000 0.5000 0.2026 ( 2744 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5652 -12.5652 -12.5652 -12.5652 -11.7084 -11.7084 -11.7084 -11.7084 -11.5541 -11.5541 -11.5541 -11.5541 -11.4910 -11.4910 -11.4910 -11.4910 -9.0091 -9.0091 -9.0091 -9.0091 2.1386 2.1386 2.1386 2.1386 4.4609 4.4609 4.4609 4.4609 4.9181 4.9181 4.9181 4.9181 7.4303 7.4303 7.4303 7.4303 12.3073 12.3073 12.3073 12.3073 14.9831 14.9831 14.9831 14.9831 k = 0.0000 0.5000 0.2145 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5655 -12.5655 -12.5655 -12.5655 -11.7082 -11.7082 -11.7082 -11.7082 -11.5547 -11.5547 -11.5547 -11.5547 -11.4905 -11.4905 -11.4905 -11.4905 -9.0080 -9.0080 -9.0080 -9.0080 2.1322 2.1322 2.1322 2.1322 4.4411 4.4411 4.4411 4.4411 4.9197 4.9197 4.9197 4.9197 7.4725 7.4725 7.4725 7.4725 12.2803 12.2803 12.2803 12.2803 14.9656 14.9656 14.9656 14.9656 k = 0.0000 0.5000 0.2264 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5658 -12.5658 -12.5658 -12.5658 -11.7080 -11.7080 -11.7080 -11.7080 -11.5552 -11.5552 -11.5552 -11.5552 -11.4899 -11.4899 -11.4899 -11.4899 -9.0069 -9.0069 -9.0069 -9.0069 2.1258 2.1258 2.1258 2.1258 4.4222 4.4222 4.4222 4.4222 4.9214 4.9214 4.9214 4.9214 7.5137 7.5137 7.5137 7.5137 12.2538 12.2538 12.2538 12.2538 14.9482 14.9482 14.9482 14.9482 k = 0.0000 0.5000 0.2383 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5661 -12.5661 -12.5661 -12.5661 -11.7078 -11.7078 -11.7078 -11.7078 -11.5557 -11.5557 -11.5557 -11.5557 -11.4894 -11.4894 -11.4894 -11.4894 -9.0058 -9.0058 -9.0058 -9.0058 2.1195 2.1195 2.1195 2.1195 4.4043 4.4043 4.4043 4.4043 4.9229 4.9229 4.9229 4.9229 7.5535 7.5535 7.5535 7.5535 12.2281 12.2281 12.2281 12.2281 14.9310 14.9310 14.9310 14.9310 k = 0.0000 0.5000 0.2503 ( 2746 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5664 -12.5664 -12.5664 -12.5664 -11.7076 -11.7076 -11.7076 -11.7076 -11.5562 -11.5562 -11.5562 -11.5562 -11.4889 -11.4889 -11.4889 -11.4889 -9.0048 -9.0048 -9.0048 -9.0048 2.1134 2.1134 2.1134 2.1134 4.3874 4.3874 4.3874 4.3874 4.9245 4.9245 4.9245 4.9245 7.5916 7.5916 7.5916 7.5916 12.2034 12.2034 12.2034 12.2034 14.9144 14.9144 14.9144 14.9144 k = 0.0000 0.5000 0.2622 ( 2746 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5667 -12.5667 -12.5667 -12.5667 -11.7074 -11.7074 -11.7074 -11.7074 -11.5566 -11.5566 -11.5566 -11.5566 -11.4884 -11.4884 -11.4884 -11.4884 -9.0038 -9.0038 -9.0038 -9.0038 2.1075 2.1075 2.1075 2.1075 4.3717 4.3717 4.3717 4.3717 4.9260 4.9260 4.9260 4.9260 7.6278 7.6278 7.6278 7.6278 12.1798 12.1798 12.1798 12.1798 14.8984 14.8984 14.8984 14.8984 k = 0.0000 0.5000 0.2741 ( 2738 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5670 -12.5670 -12.5670 -12.5670 -11.7073 -11.7073 -11.7073 -11.7073 -11.5570 -11.5570 -11.5570 -11.5570 -11.4880 -11.4880 -11.4880 -11.4880 -9.0028 -9.0028 -9.0028 -9.0028 2.1019 2.1019 2.1019 2.1019 4.3572 4.3572 4.3572 4.3572 4.9274 4.9274 4.9274 4.9274 7.6618 7.6618 7.6618 7.6618 12.1575 12.1575 12.1575 12.1575 14.8833 14.8833 14.8833 14.8833 k = 0.0000 0.5000 0.2860 ( 2738 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5672 -12.5672 -12.5672 -12.5672 -11.7071 -11.7071 -11.7071 -11.7071 -11.5574 -11.5574 -11.5574 -11.5574 -11.4876 -11.4876 -11.4876 -11.4876 -9.0020 -9.0020 -9.0020 -9.0020 2.0966 2.0966 2.0966 2.0966 4.3439 4.3439 4.3439 4.3439 4.9287 4.9287 4.9287 4.9287 7.6933 7.6933 7.6934 7.6934 12.1368 12.1368 12.1368 12.1368 14.8692 14.8692 14.8692 14.8692 k = 0.0000 0.5000 0.2979 ( 2734 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5675 -12.5675 -12.5675 -12.5675 -11.7070 -11.7070 -11.7070 -11.7070 -11.5578 -11.5578 -11.5578 -11.5578 -11.4872 -11.4872 -11.4872 -11.4872 -9.0011 -9.0011 -9.0011 -9.0011 2.0918 2.0918 2.0918 2.0918 4.3320 4.3320 4.3320 4.3320 4.9299 4.9299 4.9299 4.9299 7.7222 7.7222 7.7222 7.7222 12.1178 12.1178 12.1179 12.1179 14.8561 14.8561 14.8561 14.8561 k = 0.0000 0.5000 0.3099 ( 2740 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5677 -12.5677 -12.5677 -12.5677 -11.7068 -11.7068 -11.7068 -11.7068 -11.5581 -11.5581 -11.5581 -11.5581 -11.4869 -11.4869 -11.4869 -11.4869 -9.0004 -9.0004 -9.0004 -9.0004 2.0874 2.0874 2.0874 2.0874 4.3214 4.3214 4.3214 4.3214 4.9310 4.9310 4.9310 4.9310 7.7482 7.7482 7.7482 7.7482 12.1007 12.1007 12.1007 12.1007 14.8443 14.8443 14.8443 14.8443 k = 0.0000 0.5000 0.3218 ( 2744 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5679 -12.5679 -12.5679 -12.5679 -11.7067 -11.7067 -11.7067 -11.7067 -11.5584 -11.5584 -11.5584 -11.5584 -11.4866 -11.4866 -11.4866 -11.4866 -8.9998 -8.9998 -8.9998 -8.9998 2.0835 2.0835 2.0835 2.0835 4.3122 4.3122 4.3122 4.3122 4.9320 4.9320 4.9320 4.9320 7.7710 7.7710 7.7711 7.7711 12.0856 12.0856 12.0856 12.0856 14.8339 14.8339 14.8339 14.8339 k = 0.0000 0.5000 0.3337 ( 2742 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5680 -12.5680 -12.5680 -12.5680 -11.7066 -11.7066 -11.7066 -11.7066 -11.5586 -11.5586 -11.5586 -11.5586 -11.4863 -11.4863 -11.4863 -11.4863 -8.9992 -8.9992 -8.9992 -8.9992 2.0801 2.0801 2.0801 2.0801 4.3043 4.3043 4.3043 4.3043 4.9329 4.9329 4.9329 4.9329 7.7907 7.7907 7.7907 7.7907 12.0726 12.0726 12.0726 12.0726 14.8249 14.8249 14.8249 14.8249 k = 0.0000 0.5000 0.3456 ( 2742 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5682 -12.5682 -12.5682 -12.5682 -11.7065 -11.7065 -11.7065 -11.7065 -11.5588 -11.5588 -11.5588 -11.5588 -11.4861 -11.4861 -11.4861 -11.4861 -8.9987 -8.9987 -8.9987 -8.9987 2.0773 2.0773 2.0773 2.0773 4.2979 4.2979 4.2979 4.2979 4.9336 4.9336 4.9336 4.9336 7.8070 7.8070 7.8070 7.8070 12.0618 12.0618 12.0618 12.0618 14.8175 14.8175 14.8175 14.8175 k = 0.0000 0.5000 0.3575 ( 2744 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5683 -12.5683 -12.5683 -12.5683 -11.7065 -11.7065 -11.7065 -11.7065 -11.5590 -11.5590 -11.5590 -11.5590 -11.4859 -11.4859 -11.4859 -11.4859 -8.9984 -8.9984 -8.9984 -8.9984 2.0750 2.0750 2.0750 2.0750 4.2929 4.2929 4.2929 4.2929 4.9341 4.9341 4.9341 4.9341 7.8198 7.8198 7.8198 7.8198 12.0533 12.0533 12.0533 12.0533 14.8116 14.8116 14.8116 14.8116 k = 0.0000 0.5000 0.3694 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5683 -12.5683 -12.5683 -12.5683 -11.7064 -11.7064 -11.7064 -11.7064 -11.5591 -11.5591 -11.5591 -11.5591 -11.4858 -11.4858 -11.4858 -11.4858 -8.9981 -8.9981 -8.9981 -8.9981 2.0734 2.0734 2.0734 2.0734 4.2893 4.2893 4.2893 4.2893 4.9345 4.9345 4.9345 4.9345 7.8290 7.8290 7.8290 7.8290 12.0471 12.0471 12.0471 12.0471 14.8074 14.8074 14.8074 14.8074 k = 0.0000 0.5000 0.3814 ( 2748 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5684 -12.5684 -12.5684 -12.5684 -11.7064 -11.7064 -11.7064 -11.7064 -11.5591 -11.5591 -11.5591 -11.5591 -11.4857 -11.4857 -11.4857 -11.4857 -8.9979 -8.9979 -8.9979 -8.9979 2.0725 2.0725 2.0725 2.0725 4.2871 4.2871 4.2871 4.2871 4.9348 4.9348 4.9348 4.9348 7.8345 7.8345 7.8345 7.8345 12.0435 12.0435 12.0435 12.0435 14.8048 14.8048 14.8048 14.8048 k = 0.0000 0.5000 0.3933 ( 2744 PWs) bands (ev): -12.6617 -12.6617 -12.6617 -12.6617 -12.5684 -12.5684 -12.5684 -12.5684 -11.7064 -11.7064 -11.7064 -11.7064 -11.5592 -11.5592 -11.5592 -11.5592 -11.4857 -11.4857 -11.4857 -11.4857 -8.9979 -8.9979 -8.9979 -8.9979 2.0721 2.0721 2.0721 2.0721 4.2864 4.2864 4.2864 4.2864 4.9349 4.9349 4.9349 4.9349 7.8364 7.8364 7.8364 7.8364 12.0422 12.0422 12.0422 12.0422 14.8040 14.8040 14.8040 14.8040 k = 0.5000 0.5000-0.0000 ( 2752 PWs) bands (ev): -12.6905 -12.6905 -12.6905 -12.6905 -12.5474 -12.5474 -12.5474 -12.5474 -11.7268 -11.7268 -11.7268 -11.7268 -11.5377 -11.5377 -11.5377 -11.5377 -11.4648 -11.4648 -11.4648 -11.4648 -8.7966 -8.7966 -8.7966 -8.7966 0.7057 0.7057 0.7057 0.7057 4.6198 4.6198 4.6198 4.6198 7.1658 7.1658 7.1658 7.1658 7.6304 7.6304 7.6304 7.6304 9.6522 9.6522 9.6522 9.6522 13.9965 13.9965 13.9965 13.9965 k = 0.5000 0.5000 0.0119 ( 2768 PWs) bands (ev): -12.6905 -12.6905 -12.6905 -12.6905 -12.5474 -12.5474 -12.5474 -12.5474 -11.7268 -11.7268 -11.7268 -11.7268 -11.5377 -11.5377 -11.5377 -11.5377 -11.4648 -11.4648 -11.4648 -11.4648 -8.7965 -8.7965 -8.7965 -8.7965 0.7059 0.7059 0.7059 0.7059 4.6186 4.6186 4.6186 4.6186 7.1658 7.1658 7.1658 7.1658 7.6285 7.6285 7.6285 7.6285 9.6556 9.6556 9.6556 9.6556 13.9995 13.9995 13.9995 13.9995 k = 0.5000 0.5000 0.0238 ( 2772 PWs) bands (ev): -12.6904 -12.6904 -12.6904 -12.6904 -12.5474 -12.5474 -12.5474 -12.5474 -11.7268 -11.7268 -11.7268 -11.7268 -11.5376 -11.5376 -11.5376 -11.5376 -11.4649 -11.4649 -11.4649 -11.4649 -8.7963 -8.7963 -8.7963 -8.7963 0.7066 0.7066 0.7066 0.7066 4.6152 4.6152 4.6152 4.6152 7.1658 7.1658 7.1658 7.1658 7.6227 7.6227 7.6227 7.6227 9.6659 9.6659 9.6659 9.6659 14.0084 14.0084 14.0084 14.0084 k = 0.5000 0.5000 0.0358 ( 2772 PWs) bands (ev): -12.6903 -12.6903 -12.6903 -12.6903 -12.5474 -12.5474 -12.5474 -12.5474 -11.7269 -11.7269 -11.7269 -11.7269 -11.5376 -11.5376 -11.5376 -11.5376 -11.4652 -11.4652 -11.4652 -11.4652 -8.7959 -8.7959 -8.7959 -8.7959 0.7078 0.7078 0.7078 0.7078 4.6094 4.6094 4.6094 4.6094 7.1658 7.1658 7.1658 7.1658 7.6131 7.6131 7.6131 7.6131 9.6829 9.6829 9.6829 9.6829 14.0231 14.0231 14.0231 14.0231 k = 0.5000 0.5000 0.0477 ( 2780 PWs) bands (ev): -12.6902 -12.6902 -12.6902 -12.6902 -12.5475 -12.5475 -12.5475 -12.5475 -11.7269 -11.7269 -11.7269 -11.7269 -11.5376 -11.5376 -11.5376 -11.5376 -11.4655 -11.4655 -11.4655 -11.4655 -8.7953 -8.7953 -8.7953 -8.7953 0.7095 0.7095 0.7095 0.7095 4.6015 4.6015 4.6015 4.6015 7.1658 7.1658 7.1658 7.1658 7.5998 7.5998 7.5998 7.5998 9.7066 9.7066 9.7066 9.7066 14.0434 14.0434 14.0434 14.0434 k = 0.5000 0.5000 0.0596 ( 2772 PWs) bands (ev): -12.6900 -12.6900 -12.6900 -12.6900 -12.5476 -12.5476 -12.5476 -12.5476 -11.7269 -11.7269 -11.7269 -11.7269 -11.5375 -11.5375 -11.5375 -11.5375 -11.4659 -11.4659 -11.4659 -11.4659 -8.7945 -8.7945 -8.7945 -8.7945 0.7116 0.7116 0.7116 0.7116 4.5914 4.5914 4.5914 4.5914 7.1658 7.1658 7.1658 7.1658 7.5831 7.5831 7.5831 7.5831 9.7369 9.7369 9.7369 9.7369 14.0690 14.0690 14.0690 14.0690 k = 0.5000 0.5000 0.0715 ( 2772 PWs) bands (ev): -12.6898 -12.6898 -12.6898 -12.6898 -12.5476 -12.5476 -12.5476 -12.5476 -11.7270 -11.7270 -11.7270 -11.7270 -11.5375 -11.5375 -11.5375 -11.5375 -11.4664 -11.4664 -11.4664 -11.4664 -8.7936 -8.7936 -8.7936 -8.7936 0.7142 0.7142 0.7142 0.7142 4.5795 4.5795 4.5795 4.5795 7.1658 7.1658 7.1658 7.1658 7.5631 7.5631 7.5631 7.5631 9.7736 9.7736 9.7736 9.7736 14.0995 14.0995 14.0995 14.0995 k = 0.5000 0.5000 0.0834 ( 2772 PWs) bands (ev): -12.6895 -12.6895 -12.6895 -12.6895 -12.5477 -12.5477 -12.5477 -12.5477 -11.7271 -11.7271 -11.7271 -11.7271 -11.5374 -11.5374 -11.5374 -11.5374 -11.4670 -11.4670 -11.4670 -11.4670 -8.7926 -8.7926 -8.7926 -8.7926 0.7171 0.7171 0.7171 0.7171 4.5657 4.5657 4.5657 4.5657 7.1658 7.1658 7.1658 7.1658 7.5401 7.5401 7.5401 7.5401 9.8166 9.8166 9.8166 9.8166 14.1345 14.1345 14.1345 14.1345 k = 0.5000 0.5000 0.0953 ( 2772 PWs) bands (ev): -12.6893 -12.6893 -12.6893 -12.6893 -12.5478 -12.5478 -12.5478 -12.5478 -11.7272 -11.7272 -11.7272 -11.7272 -11.5373 -11.5373 -11.5373 -11.5373 -11.4677 -11.4677 -11.4677 -11.4677 -8.7915 -8.7915 -8.7915 -8.7915 0.7205 0.7205 0.7205 0.7205 4.5503 4.5503 4.5503 4.5503 7.1658 7.1658 7.1658 7.1658 7.5144 7.5144 7.5144 7.5144 9.8656 9.8656 9.8656 9.8656 14.1735 14.1735 14.1735 14.1735 k = 0.5000 0.5000 0.1073 ( 2772 PWs) bands (ev): -12.6889 -12.6889 -12.6889 -12.6889 -12.5479 -12.5479 -12.5479 -12.5479 -11.7272 -11.7272 -11.7272 -11.7272 -11.5372 -11.5372 -11.5372 -11.5372 -11.4684 -11.4684 -11.4684 -11.4684 -8.7902 -8.7902 -8.7902 -8.7902 0.7242 0.7242 0.7242 0.7242 4.5335 4.5335 4.5335 4.5335 7.1658 7.1658 7.1658 7.1658 7.4862 7.4862 7.4862 7.4862 9.9204 9.9204 9.9204 9.9204 14.2159 14.2159 14.2159 14.2159 k = 0.5000 0.5000 0.1192 ( 2772 PWs) bands (ev): -12.6886 -12.6886 -12.6886 -12.6886 -12.5480 -12.5480 -12.5480 -12.5480 -11.7273 -11.7273 -11.7273 -11.7273 -11.5371 -11.5371 -11.5371 -11.5371 -11.4692 -11.4692 -11.4692 -11.4692 -8.7888 -8.7888 -8.7888 -8.7888 0.7282 0.7282 0.7282 0.7282 4.5154 4.5154 4.5154 4.5154 7.1657 7.1657 7.1657 7.1657 7.4560 7.4560 7.4560 7.4560 9.9807 9.9807 9.9807 9.9807 14.2611 14.2611 14.2611 14.2611 k = 0.5000 0.5000 0.1311 ( 2760 PWs) bands (ev): -12.6882 -12.6882 -12.6882 -12.6882 -12.5482 -12.5482 -12.5482 -12.5482 -11.7274 -11.7274 -11.7274 -11.7274 -11.5370 -11.5370 -11.5370 -11.5370 -11.4701 -11.4701 -11.4701 -11.4701 -8.7873 -8.7873 -8.7873 -8.7873 0.7326 0.7326 0.7326 0.7326 4.4964 4.4964 4.4964 4.4964 7.1657 7.1657 7.1657 7.1657 7.4240 7.4240 7.4240 7.4240 10.0464 10.0464 10.0464 10.0464 14.3087 14.3087 14.3087 14.3087 k = 0.5000 0.5000 0.1430 ( 2752 PWs) bands (ev): -12.6878 -12.6878 -12.6878 -12.6878 -12.5483 -12.5483 -12.5483 -12.5483 -11.7275 -11.7275 -11.7275 -11.7275 -11.5369 -11.5369 -11.5369 -11.5369 -11.4710 -11.4710 -11.4710 -11.4710 -8.7857 -8.7857 -8.7857 -8.7857 0.7372 0.7372 0.7372 0.7372 4.4765 4.4765 4.4765 4.4765 7.1657 7.1657 7.1657 7.1657 7.3906 7.3906 7.3906 7.3906 10.1171 10.1171 10.1171 10.1171 14.3577 14.3577 14.3577 14.3577 k = 0.5000 0.5000 0.1549 ( 2752 PWs) bands (ev): -12.6874 -12.6874 -12.6874 -12.6874 -12.5485 -12.5485 -12.5485 -12.5485 -11.7277 -11.7277 -11.7277 -11.7277 -11.5368 -11.5368 -11.5368 -11.5368 -11.4719 -11.4719 -11.4719 -11.4719 -8.7841 -8.7841 -8.7841 -8.7841 0.7420 0.7420 0.7420 0.7420 4.4560 4.4560 4.4560 4.4560 7.1657 7.1657 7.1657 7.1657 7.3561 7.3561 7.3561 7.3561 10.1926 10.1926 10.1926 10.1926 14.4077 14.4077 14.4077 14.4077 k = 0.5000 0.5000 0.1668 ( 2748 PWs) bands (ev): -12.6870 -12.6870 -12.6870 -12.6870 -12.5486 -12.5486 -12.5486 -12.5486 -11.7278 -11.7278 -11.7278 -11.7278 -11.5366 -11.5366 -11.5366 -11.5366 -11.4729 -11.4729 -11.4729 -11.4729 -8.7824 -8.7824 -8.7824 -8.7824 0.7470 0.7470 0.7470 0.7470 4.4351 4.4351 4.4351 4.4351 7.1656 7.1656 7.1656 7.1656 7.3209 7.3209 7.3209 7.3209 10.2725 10.2725 10.2725 10.2725 14.4579 14.4579 14.4579 14.4579 k = 0.5000 0.5000 0.1788 ( 2740 PWs) bands (ev): -12.6865 -12.6865 -12.6865 -12.6865 -12.5488 -12.5488 -12.5488 -12.5488 -11.7279 -11.7279 -11.7279 -11.7279 -11.5365 -11.5365 -11.5365 -11.5365 -11.4739 -11.4739 -11.4739 -11.4739 -8.7806 -8.7806 -8.7806 -8.7806 0.7522 0.7522 0.7522 0.7522 4.4140 4.4140 4.4140 4.4140 7.1656 7.1656 7.1656 7.1656 7.2853 7.2853 7.2853 7.2853 10.3566 10.3566 10.3566 10.3566 14.5075 14.5075 14.5075 14.5075 k = 0.5000 0.5000 0.1907 ( 2740 PWs) bands (ev): -12.6861 -12.6861 -12.6861 -12.6861 -12.5489 -12.5489 -12.5489 -12.5489 -11.7280 -11.7280 -11.7280 -11.7280 -11.5363 -11.5363 -11.5363 -11.5363 -11.4750 -11.4750 -11.4750 -11.4750 -8.7789 -8.7789 -8.7789 -8.7789 0.7575 0.7575 0.7575 0.7575 4.3929 4.3929 4.3929 4.3929 7.1656 7.1656 7.1656 7.1656 7.2497 7.2497 7.2497 7.2497 10.4445 10.4445 10.4445 10.4445 14.5554 14.5554 14.5554 14.5554 k = 0.5000 0.5000 0.2026 ( 2740 PWs) bands (ev): -12.6856 -12.6856 -12.6856 -12.6856 -12.5491 -12.5491 -12.5491 -12.5491 -11.7282 -11.7282 -11.7282 -11.7282 -11.5361 -11.5361 -11.5361 -11.5361 -11.4760 -11.4760 -11.4760 -11.4760 -8.7771 -8.7771 -8.7771 -8.7771 0.7628 0.7628 0.7628 0.7628 4.3720 4.3720 4.3720 4.3720 7.1654 7.1654 7.1654 7.1654 7.2144 7.2144 7.2144 7.2144 10.5359 10.5359 10.5359 10.5359 14.6003 14.6003 14.6003 14.6003 k = 0.5000 0.5000 0.2145 ( 2748 PWs) bands (ev): -12.6852 -12.6852 -12.6852 -12.6852 -12.5492 -12.5492 -12.5492 -12.5492 -11.7283 -11.7283 -11.7283 -11.7283 -11.5360 -11.5360 -11.5360 -11.5360 -11.4771 -11.4771 -11.4771 -11.4771 -8.7753 -8.7753 -8.7753 -8.7753 0.7681 0.7681 0.7681 0.7681 4.3515 4.3515 4.3515 4.3515 7.1649 7.1649 7.1649 7.1649 7.1801 7.1801 7.1801 7.1801 10.6304 10.6304 10.6304 10.6304 14.6388 14.6388 14.6388 14.6388 k = 0.5000 0.5000 0.2264 ( 2764 PWs) bands (ev): -12.6847 -12.6847 -12.6847 -12.6847 -12.5494 -12.5494 -12.5494 -12.5494 -11.7285 -11.7285 -11.7285 -11.7285 -11.5358 -11.5358 -11.5358 -11.5358 -11.4781 -11.4781 -11.4781 -11.4781 -8.7736 -8.7736 -8.7736 -8.7736 0.7733 0.7733 0.7733 0.7733 4.3315 4.3315 4.3315 4.3315 7.1449 7.1449 7.1449 7.1449 7.1661 7.1661 7.1661 7.1661 10.7277 10.7277 10.7277 10.7277 14.6601 14.6601 14.6601 14.6601 k = 0.5000 0.5000 0.2383 ( 2772 PWs) bands (ev): -12.6843 -12.6843 -12.6843 -12.6843 -12.5496 -12.5496 -12.5496 -12.5496 -11.7286 -11.7286 -11.7286 -11.7286 -11.5356 -11.5356 -11.5356 -11.5356 -11.4791 -11.4791 -11.4791 -11.4791 -8.7719 -8.7719 -8.7719 -8.7719 0.7785 0.7785 0.7785 0.7785 4.3122 4.3122 4.3122 4.3122 7.1124 7.1124 7.1124 7.1124 7.1658 7.1658 7.1658 7.1658 10.8272 10.8272 10.8272 10.8272 14.6300 14.6300 14.6300 14.6300 k = 0.5000 0.5000 0.2503 ( 2772 PWs) bands (ev): -12.6839 -12.6839 -12.6839 -12.6839 -12.5497 -12.5497 -12.5497 -12.5497 -11.7287 -11.7287 -11.7287 -11.7287 -11.5354 -11.5354 -11.5354 -11.5354 -11.4801 -11.4801 -11.4801 -11.4801 -8.7702 -8.7702 -8.7702 -8.7702 0.7835 0.7835 0.7835 0.7835 4.2937 4.2937 4.2937 4.2937 7.0810 7.0810 7.0810 7.0810 7.1657 7.1657 7.1657 7.1657 10.9287 10.9287 10.9287 10.9287 14.5367 14.5367 14.5367 14.5367 k = 0.5000 0.5000 0.2622 ( 2780 PWs) bands (ev): -12.6834 -12.6834 -12.6834 -12.6834 -12.5499 -12.5499 -12.5499 -12.5499 -11.7288 -11.7288 -11.7288 -11.7288 -11.5352 -11.5352 -11.5352 -11.5352 -11.4811 -11.4811 -11.4811 -11.4811 -8.7687 -8.7687 -8.7687 -8.7687 0.7883 0.7883 0.7883 0.7883 4.2763 4.2763 4.2763 4.2763 7.0512 7.0512 7.0512 7.0512 7.1657 7.1657 7.1657 7.1657 11.0314 11.0314 11.0314 11.0314 14.4199 14.4199 14.4199 14.4199 k = 0.5000 0.5000 0.2741 ( 2788 PWs) bands (ev): -12.6831 -12.6831 -12.6831 -12.6831 -12.5500 -12.5500 -12.5500 -12.5500 -11.7290 -11.7290 -11.7290 -11.7290 -11.5350 -11.5350 -11.5350 -11.5350 -11.4820 -11.4820 -11.4820 -11.4820 -8.7672 -8.7672 -8.7672 -8.7672 0.7929 0.7929 0.7929 0.7929 4.2599 4.2599 4.2599 4.2599 7.0233 7.0233 7.0233 7.0233 7.1656 7.1656 7.1656 7.1656 11.1349 11.1349 11.1349 11.1349 14.2976 14.2976 14.2976 14.2976 k = 0.5000 0.5000 0.2860 ( 2788 PWs) bands (ev): -12.6827 -12.6827 -12.6827 -12.6827 -12.5502 -12.5502 -12.5502 -12.5502 -11.7291 -11.7291 -11.7291 -11.7291 -11.5348 -11.5348 -11.5348 -11.5348 -11.4828 -11.4828 -11.4828 -11.4828 -8.7658 -8.7658 -8.7658 -8.7658 0.7972 0.7972 0.7972 0.7972 4.2448 4.2448 4.2448 4.2448 6.9974 6.9974 6.9974 6.9974 7.1656 7.1656 7.1656 7.1656 11.2382 11.2382 11.2382 11.2382 14.1751 14.1751 14.1751 14.1751 k = 0.5000 0.5000 0.2979 ( 2788 PWs) bands (ev): -12.6823 -12.6823 -12.6823 -12.6823 -12.5503 -12.5503 -12.5503 -12.5503 -11.7292 -11.7292 -11.7292 -11.7292 -11.5346 -11.5346 -11.5346 -11.5346 -11.4836 -11.4836 -11.4836 -11.4836 -8.7645 -8.7645 -8.7645 -8.7645 0.8012 0.8012 0.8012 0.8012 4.2309 4.2309 4.2309 4.2309 6.9737 6.9737 6.9737 6.9737 7.1656 7.1656 7.1656 7.1656 11.3404 11.3404 11.3404 11.3404 14.0546 14.0546 14.0546 14.0546 k = 0.5000 0.5000 0.3099 ( 2796 PWs) bands (ev): -12.6820 -12.6820 -12.6820 -12.6820 -12.5504 -12.5504 -12.5504 -12.5504 -11.7293 -11.7293 -11.7293 -11.7293 -11.5344 -11.5344 -11.5344 -11.5344 -11.4844 -11.4844 -11.4844 -11.4844 -8.7634 -8.7634 -8.7634 -8.7634 0.8048 0.8048 0.8048 0.8048 4.2185 4.2185 4.2185 4.2185 6.9524 6.9524 6.9524 6.9524 7.1656 7.1656 7.1656 7.1656 11.4404 11.4404 11.4404 11.4404 13.9381 13.9381 13.9381 13.9381 k = 0.5000 0.5000 0.3218 ( 2788 PWs) bands (ev): -12.6818 -12.6818 -12.6818 -12.6818 -12.5505 -12.5505 -12.5505 -12.5505 -11.7294 -11.7294 -11.7294 -11.7294 -11.5343 -11.5343 -11.5343 -11.5343 -11.4850 -11.4850 -11.4850 -11.4850 -8.7623 -8.7623 -8.7623 -8.7623 0.8080 0.8080 0.8080 0.8080 4.2076 4.2076 4.2076 4.2076 6.9337 6.9337 6.9337 6.9337 7.1655 7.1655 7.1655 7.1655 11.5366 11.5366 11.5366 11.5366 13.8274 13.8274 13.8274 13.8274 k = 0.5000 0.5000 0.3337 ( 2780 PWs) bands (ev): -12.6815 -12.6815 -12.6815 -12.6815 -12.5506 -12.5506 -12.5506 -12.5506 -11.7294 -11.7294 -11.7294 -11.7294 -11.5341 -11.5341 -11.5341 -11.5341 -11.4856 -11.4856 -11.4856 -11.4856 -8.7615 -8.7615 -8.7615 -8.7615 0.8108 0.8108 0.8108 0.8108 4.1983 4.1983 4.1983 4.1983 6.9176 6.9176 6.9176 6.9176 7.1655 7.1655 7.1655 7.1655 11.6268 11.6268 11.6268 11.6268 13.7247 13.7247 13.7247 13.7247 k = 0.5000 0.5000 0.3456 ( 2780 PWs) bands (ev): -12.6813 -12.6813 -12.6813 -12.6813 -12.5507 -12.5507 -12.5507 -12.5507 -11.7295 -11.7295 -11.7295 -11.7295 -11.5340 -11.5340 -11.5340 -11.5340 -11.4860 -11.4860 -11.4860 -11.4860 -8.7607 -8.7607 -8.7607 -8.7607 0.8131 0.8131 0.8131 0.8131 4.1905 4.1905 4.1905 4.1905 6.9043 6.9043 6.9043 6.9043 7.1655 7.1655 7.1655 7.1655 11.7086 11.7086 11.7086 11.7086 13.6326 13.6326 13.6326 13.6326 k = 0.5000 0.5000 0.3575 ( 2788 PWs) bands (ev): -12.6812 -12.6812 -12.6812 -12.6812 -12.5507 -12.5507 -12.5507 -12.5507 -11.7296 -11.7296 -11.7296 -11.7296 -11.5339 -11.5339 -11.5339 -11.5339 -11.4864 -11.4864 -11.4864 -11.4864 -8.7601 -8.7601 -8.7601 -8.7601 0.8149 0.8149 0.8149 0.8149 4.1845 4.1845 4.1845 4.1845 6.8938 6.8938 6.8938 6.8938 7.1655 7.1655 7.1655 7.1655 11.7785 11.7785 11.7785 11.7785 13.5547 13.5547 13.5547 13.5547 k = 0.5000 0.5000 0.3694 ( 2788 PWs) bands (ev): -12.6811 -12.6811 -12.6811 -12.6811 -12.5508 -12.5508 -12.5508 -12.5508 -11.7296 -11.7296 -11.7296 -11.7296 -11.5339 -11.5339 -11.5339 -11.5339 -11.4867 -11.4867 -11.4867 -11.4867 -8.7597 -8.7597 -8.7597 -8.7597 0.8162 0.8162 0.8162 0.8162 4.1801 4.1801 4.1801 4.1801 6.8863 6.8863 6.8863 6.8863 7.1655 7.1655 7.1655 7.1655 11.8327 11.8327 11.8327 11.8327 13.4947 13.4947 13.4947 13.4947 k = 0.5000 0.5000 0.3814 ( 2788 PWs) bands (ev): -12.6810 -12.6810 -12.6810 -12.6810 -12.5508 -12.5508 -12.5508 -12.5508 -11.7296 -11.7296 -11.7296 -11.7296 -11.5338 -11.5338 -11.5338 -11.5338 -11.4868 -11.4868 -11.4868 -11.4868 -8.7595 -8.7595 -8.7595 -8.7595 0.8170 0.8170 0.8170 0.8170 4.1775 4.1775 4.1775 4.1775 6.8818 6.8818 6.8818 6.8818 7.1655 7.1655 7.1655 7.1655 11.8673 11.8673 11.8673 11.8673 13.4567 13.4567 13.4567 13.4567 k = 0.5000 0.5000 0.3933 ( 2792 PWs) bands (ev): -12.6810 -12.6810 -12.6810 -12.6810 -12.5508 -12.5508 -12.5508 -12.5508 -11.7296 -11.7296 -11.7296 -11.7296 -11.5338 -11.5338 -11.5338 -11.5338 -11.4869 -11.4869 -11.4869 -11.4869 -8.7594 -8.7594 -8.7594 -8.7594 0.8173 0.8173 0.8173 0.8173 4.1766 4.1766 4.1766 4.1766 6.8803 6.8803 6.8803 6.8803 7.1655 7.1655 7.1655 7.1655 11.8792 11.8792 11.8792 11.8792 13.4436 13.4436 13.4436 13.4436 Writing output data file SnO.save init_run : 0.16s CPU 0.30s WALL ( 1 calls) electrons : 109.19s CPU 111.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 109.19s CPU 111.22s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 388 calls) cegterg : 99.95s CPU 101.60s WALL ( 413 calls) Called by sum_band: Called by *egterg: h_psi : 54.55s CPU 55.56s WALL ( 7476 calls) s_psi : 3.80s CPU 3.88s WALL ( 7476 calls) g_psi : 0.17s CPU 0.14s WALL ( 6675 calls) cdiaghg : 39.28s CPU 40.02s WALL ( 7063 calls) cegterg:over : 3.79s CPU 3.68s WALL ( 6675 calls) cegterg:upda : 2.34s CPU 2.41s WALL ( 6675 calls) cegterg:last : 1.74s CPU 1.77s WALL ( 1189 calls) cdiaghg:chol : 1.96s CPU 2.10s WALL ( 7063 calls) cdiaghg:inve : 1.43s CPU 1.38s WALL ( 7063 calls) cdiaghg:para : 2.35s CPU 2.31s WALL ( 14126 calls) Called by h_psi: h_psi:vloc : 48.58s CPU 49.51s WALL ( 7476 calls) h_psi:vnl : 5.81s CPU 5.93s WALL ( 7476 calls) add_vuspsi : 2.99s CPU 2.97s WALL ( 7476 calls) General routines calbec : 2.80s CPU 2.94s WALL ( 7476 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.60s CPU 46.43s WALL ( 722172 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.18s WALL ( 776 calls) Parallel routines fft_scatter : 17.79s CPU 18.07s WALL ( 722195 calls) PWSCF : 2m 3.17s CPU 2m24.71s WALL This run was terminated on: 21: 5:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=