Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:30:37 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: ./AlHO2.save/ 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 31 18 5 2125 932 153 Max 32 19 6 2136 952 166 Sum 1137 657 199 76677 33889 5725 bravais-lattice index = 14 lattice parameter (alat) = 5.3443 a.u. unit-cell volume = 778.5257 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.344334 celldm(2)= 1.539550 celldm(3)= 3.312825 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 1.539550 0.000000 ) a(3) = ( 0.000000 0.000000 3.312825 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.649541 -0.000000 ) b(3) = ( 0.000000 0.000000 0.301857 ) 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Al 3.00 26.98150 Al( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7697748 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6564124 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.7697748 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.6564124 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.7697748 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.6564124 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.7697748 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.6564124 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 452 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( 0.0089286 -0.0000000 -0.0000000), wk = 0.0022124 k( 3) = ( 0.0178571 -0.0000000 -0.0000000), wk = 0.0022124 k( 4) = ( 0.0267857 -0.0000000 -0.0000000), wk = 0.0022124 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0022124 k( 6) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0022124 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0022124 k( 8) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0022124 k( 9) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0022124 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0022124 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0022124 k( 12) = ( 0.0982143 -0.0000000 -0.0000000), wk = 0.0022124 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0022124 k( 14) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0022124 k( 15) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0022124 k( 16) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0022124 k( 17) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0022124 k( 18) = ( 0.1517857 -0.0000000 -0.0000000), wk = 0.0022124 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0022124 k( 20) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0022124 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0022124 k( 22) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0022124 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0022124 k( 24) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0022124 k( 25) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0022124 k( 26) = ( 0.2232143 -0.0000000 -0.0000000), wk = 0.0022124 k( 27) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0022124 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0022124 k( 29) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0022124 k( 30) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0022124 k( 31) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0022124 k( 32) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0022124 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0022124 k( 34) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0022124 k( 35) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0022124 k( 36) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0022124 k( 37) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0022124 k( 38) = ( 0.3303571 -0.0000000 -0.0000000), wk = 0.0022124 k( 39) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0022124 k( 40) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0022124 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0022124 k( 42) = ( 0.3660714 -0.0000000 -0.0000000), wk = 0.0022124 k( 43) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0022124 k( 44) = ( 0.3839286 -0.0000000 -0.0000000), wk = 0.0022124 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0022124 k( 46) = ( 0.4017857 -0.0000000 -0.0000000), wk = 0.0022124 k( 47) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0022124 k( 48) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0022124 k( 49) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0022124 k( 50) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0022124 k( 51) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0022124 k( 52) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0022124 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0022124 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0022124 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0022124 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0022124 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022124 k( 58) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022124 k( 59) = ( 0.5000000 0.0087776 -0.0000000), wk = 0.0022124 k( 60) = ( 0.5000000 0.0175552 -0.0000000), wk = 0.0022124 k( 61) = ( 0.5000000 0.0263327 -0.0000000), wk = 0.0022124 k( 62) = ( 0.5000000 0.0351103 -0.0000000), wk = 0.0022124 k( 63) = ( 0.5000000 0.0438879 -0.0000000), wk = 0.0022124 k( 64) = ( 0.5000000 0.0526655 -0.0000000), wk = 0.0022124 k( 65) = ( 0.5000000 0.0614430 -0.0000000), wk = 0.0022124 k( 66) = ( 0.5000000 0.0702206 -0.0000000), wk = 0.0022124 k( 67) = ( 0.5000000 0.0789982 -0.0000000), wk = 0.0022124 k( 68) = ( 0.5000000 0.0877758 -0.0000000), wk = 0.0022124 k( 69) = ( 0.5000000 0.0965533 -0.0000000), wk = 0.0022124 k( 70) = ( 0.5000000 0.1053309 -0.0000000), wk = 0.0022124 k( 71) = ( 0.5000000 0.1141085 -0.0000000), wk = 0.0022124 k( 72) = ( 0.5000000 0.1228861 -0.0000000), wk = 0.0022124 k( 73) = ( 0.5000000 0.1316636 -0.0000000), wk = 0.0022124 k( 74) = ( 0.5000000 0.1404412 -0.0000000), wk = 0.0022124 k( 75) = ( 0.5000000 0.1492188 -0.0000000), wk = 0.0022124 k( 76) = ( 0.5000000 0.1579964 -0.0000000), wk = 0.0022124 k( 77) = ( 0.5000000 0.1667740 -0.0000000), wk = 0.0022124 k( 78) = ( 0.5000000 0.1755515 -0.0000000), wk = 0.0022124 k( 79) = ( 0.5000000 0.1843291 -0.0000000), wk = 0.0022124 k( 80) = ( 0.5000000 0.1931067 -0.0000000), wk = 0.0022124 k( 81) = ( 0.5000000 0.2018843 -0.0000000), wk = 0.0022124 k( 82) = ( 0.5000000 0.2106618 -0.0000000), wk = 0.0022124 k( 83) = ( 0.5000000 0.2194394 -0.0000000), wk = 0.0022124 k( 84) = ( 0.5000000 0.2282170 -0.0000000), wk = 0.0022124 k( 85) = ( 0.5000000 0.2369946 -0.0000000), wk = 0.0022124 k( 86) = ( 0.5000000 0.2457721 -0.0000000), wk = 0.0022124 k( 87) = ( 0.5000000 0.2545497 -0.0000000), wk = 0.0022124 k( 88) = ( 0.5000000 0.2633273 -0.0000000), wk = 0.0022124 k( 89) = ( 0.5000000 0.2721049 -0.0000000), wk = 0.0022124 k( 90) = ( 0.5000000 0.2808824 -0.0000000), wk = 0.0022124 k( 91) = ( 0.5000000 0.2896600 -0.0000000), wk = 0.0022124 k( 92) = ( 0.5000000 0.2984376 -0.0000000), wk = 0.0022124 k( 93) = ( 0.5000000 0.3072152 -0.0000000), wk = 0.0022124 k( 94) = ( 0.5000000 0.3159928 -0.0000000), wk = 0.0022124 k( 95) = ( 0.5000000 0.3247703 -0.0000000), wk = 0.0022124 k( 96) = ( 0.5000000 0.3247703 -0.0000000), wk = 0.0022124 k( 97) = ( 0.4910714 0.3247703 -0.0000000), wk = 0.0022124 k( 98) = ( 0.4821429 0.3247703 -0.0000000), wk = 0.0022124 k( 99) = ( 0.4732143 0.3247703 -0.0000000), wk = 0.0022124 k( 100) = ( 0.4642857 0.3247703 -0.0000000), wk = 0.0022124 k( 101) = ( 0.4553571 0.3247703 -0.0000000), wk = 0.0022124 k( 102) = ( 0.4464286 0.3247703 -0.0000000), wk = 0.0022124 k( 103) = ( 0.4375000 0.3247703 -0.0000000), wk = 0.0022124 k( 104) = ( 0.4285714 0.3247703 -0.0000000), wk = 0.0022124 k( 105) = ( 0.4196429 0.3247703 -0.0000000), wk = 0.0022124 k( 106) = ( 0.4107143 0.3247703 -0.0000000), wk = 0.0022124 k( 107) = ( 0.4017857 0.3247703 -0.0000000), wk = 0.0022124 k( 108) = ( 0.3928571 0.3247703 -0.0000000), wk = 0.0022124 k( 109) = ( 0.3839286 0.3247703 -0.0000000), wk = 0.0022124 k( 110) = ( 0.3750000 0.3247703 -0.0000000), wk = 0.0022124 k( 111) = ( 0.3660714 0.3247703 -0.0000000), wk = 0.0022124 k( 112) = ( 0.3571429 0.3247703 -0.0000000), wk = 0.0022124 k( 113) = ( 0.3482143 0.3247703 -0.0000000), wk = 0.0022124 k( 114) = ( 0.3392857 0.3247703 -0.0000000), wk = 0.0022124 k( 115) = ( 0.3303571 0.3247703 -0.0000000), wk = 0.0022124 k( 116) = ( 0.3214286 0.3247703 -0.0000000), wk = 0.0022124 k( 117) = ( 0.3125000 0.3247703 -0.0000000), wk = 0.0022124 k( 118) = ( 0.3035714 0.3247703 -0.0000000), wk = 0.0022124 k( 119) = ( 0.2946429 0.3247703 -0.0000000), wk = 0.0022124 k( 120) = ( 0.2857143 0.3247703 -0.0000000), wk = 0.0022124 k( 121) = ( 0.2767857 0.3247703 -0.0000000), wk = 0.0022124 k( 122) = ( 0.2678571 0.3247703 -0.0000000), wk = 0.0022124 k( 123) = ( 0.2589286 0.3247703 -0.0000000), wk = 0.0022124 k( 124) = ( 0.2500000 0.3247703 -0.0000000), wk = 0.0022124 k( 125) = ( 0.2410714 0.3247703 -0.0000000), wk = 0.0022124 k( 126) = ( 0.2321429 0.3247703 -0.0000000), wk = 0.0022124 k( 127) = ( 0.2232143 0.3247703 -0.0000000), wk = 0.0022124 k( 128) = ( 0.2142857 0.3247703 -0.0000000), wk = 0.0022124 k( 129) = ( 0.2053571 0.3247703 -0.0000000), wk = 0.0022124 k( 130) = ( 0.1964286 0.3247703 -0.0000000), wk = 0.0022124 k( 131) = ( 0.1875000 0.3247703 -0.0000000), wk = 0.0022124 k( 132) = ( 0.1785714 0.3247703 -0.0000000), wk = 0.0022124 k( 133) = ( 0.1696429 0.3247703 -0.0000000), wk = 0.0022124 k( 134) = ( 0.1607143 0.3247703 -0.0000000), wk = 0.0022124 k( 135) = ( 0.1517857 0.3247703 -0.0000000), wk = 0.0022124 k( 136) = ( 0.1428571 0.3247703 -0.0000000), wk = 0.0022124 k( 137) = ( 0.1339286 0.3247703 -0.0000000), wk = 0.0022124 k( 138) = ( 0.1250000 0.3247703 -0.0000000), wk = 0.0022124 k( 139) = ( 0.1160714 0.3247703 -0.0000000), wk = 0.0022124 k( 140) = ( 0.1071429 0.3247703 -0.0000000), wk = 0.0022124 k( 141) = ( 0.0982143 0.3247703 -0.0000000), wk = 0.0022124 k( 142) = ( 0.0892857 0.3247703 -0.0000000), wk = 0.0022124 k( 143) = ( 0.0803571 0.3247703 -0.0000000), wk = 0.0022124 k( 144) = ( 0.0714286 0.3247703 -0.0000000), wk = 0.0022124 k( 145) = ( 0.0625000 0.3247703 -0.0000000), wk = 0.0022124 k( 146) = ( 0.0535714 0.3247703 -0.0000000), wk = 0.0022124 k( 147) = ( 0.0446429 0.3247703 -0.0000000), wk = 0.0022124 k( 148) = ( 0.0357143 0.3247703 -0.0000000), wk = 0.0022124 k( 149) = ( 0.0267857 0.3247703 -0.0000000), wk = 0.0022124 k( 150) = ( 0.0178571 0.3247703 -0.0000000), wk = 0.0022124 k( 151) = ( 0.0089286 0.3247703 -0.0000000), wk = 0.0022124 k( 152) = ( 0.0000000 0.3247703 -0.0000000), wk = 0.0022124 k( 153) = ( 0.0000000 0.3247703 -0.0000000), wk = 0.0022124 k( 154) = ( 0.0000000 0.3159928 -0.0000000), wk = 0.0022124 k( 155) = ( 0.0000000 0.3072152 -0.0000000), wk = 0.0022124 k( 156) = ( 0.0000000 0.2984376 -0.0000000), wk = 0.0022124 k( 157) = ( 0.0000000 0.2896600 -0.0000000), wk = 0.0022124 k( 158) = ( 0.0000000 0.2808824 -0.0000000), wk = 0.0022124 k( 159) = ( 0.0000000 0.2721049 -0.0000000), wk = 0.0022124 k( 160) = ( 0.0000000 0.2633273 -0.0000000), wk = 0.0022124 k( 161) = ( 0.0000000 0.2545497 -0.0000000), wk = 0.0022124 k( 162) = ( 0.0000000 0.2457721 -0.0000000), wk = 0.0022124 k( 163) = ( 0.0000000 0.2369946 -0.0000000), wk = 0.0022124 k( 164) = ( 0.0000000 0.2282170 -0.0000000), wk = 0.0022124 k( 165) = ( 0.0000000 0.2194394 -0.0000000), wk = 0.0022124 k( 166) = ( 0.0000000 0.2106618 -0.0000000), wk = 0.0022124 k( 167) = ( 0.0000000 0.2018843 -0.0000000), wk = 0.0022124 k( 168) = ( 0.0000000 0.1931067 -0.0000000), wk = 0.0022124 k( 169) = ( 0.0000000 0.1843291 -0.0000000), wk = 0.0022124 k( 170) = ( 0.0000000 0.1755515 -0.0000000), wk = 0.0022124 k( 171) = ( 0.0000000 0.1667740 -0.0000000), wk = 0.0022124 k( 172) = ( 0.0000000 0.1579964 -0.0000000), wk = 0.0022124 k( 173) = ( 0.0000000 0.1492188 -0.0000000), wk = 0.0022124 k( 174) = ( 0.0000000 0.1404412 -0.0000000), wk = 0.0022124 k( 175) = ( 0.0000000 0.1316636 -0.0000000), wk = 0.0022124 k( 176) = ( 0.0000000 0.1228861 -0.0000000), wk = 0.0022124 k( 177) = ( 0.0000000 0.1141085 -0.0000000), wk = 0.0022124 k( 178) = ( 0.0000000 0.1053309 -0.0000000), wk = 0.0022124 k( 179) = ( 0.0000000 0.0965533 -0.0000000), wk = 0.0022124 k( 180) = ( 0.0000000 0.0877758 -0.0000000), wk = 0.0022124 k( 181) = ( 0.0000000 0.0789982 -0.0000000), wk = 0.0022124 k( 182) = ( 0.0000000 0.0702206 -0.0000000), wk = 0.0022124 k( 183) = ( 0.0000000 0.0614430 -0.0000000), wk = 0.0022124 k( 184) = ( 0.0000000 0.0526655 -0.0000000), wk = 0.0022124 k( 185) = ( 0.0000000 0.0438879 -0.0000000), wk = 0.0022124 k( 186) = ( 0.0000000 0.0351103 -0.0000000), wk = 0.0022124 k( 187) = ( 0.0000000 0.0263327 -0.0000000), wk = 0.0022124 k( 188) = ( 0.0000000 0.0175552 -0.0000000), wk = 0.0022124 k( 189) = ( 0.0000000 0.0087776 -0.0000000), wk = 0.0022124 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 192) = ( 0.0000000 0.0000000 0.0088782), wk = 0.0022124 k( 193) = ( 0.0000000 0.0000000 0.0177563), wk = 0.0022124 k( 194) = ( 0.0000000 0.0000000 0.0266345), wk = 0.0022124 k( 195) = ( 0.0000000 0.0000000 0.0355126), wk = 0.0022124 k( 196) = ( 0.0000000 0.0000000 0.0443908), wk = 0.0022124 k( 197) = ( 0.0000000 0.0000000 0.0532689), wk = 0.0022124 k( 198) = ( 0.0000000 0.0000000 0.0621471), wk = 0.0022124 k( 199) = ( 0.0000000 0.0000000 0.0710252), wk = 0.0022124 k( 200) = ( 0.0000000 0.0000000 0.0799034), wk = 0.0022124 k( 201) = ( 0.0000000 0.0000000 0.0887815), wk = 0.0022124 k( 202) = ( 0.0000000 0.0000000 0.0976597), wk = 0.0022124 k( 203) = ( 0.0000000 0.0000000 0.1065378), wk = 0.0022124 k( 204) = ( 0.0000000 0.0000000 0.1154160), wk = 0.0022124 k( 205) = ( 0.0000000 0.0000000 0.1242941), wk = 0.0022124 k( 206) = ( 0.0000000 0.0000000 0.1331723), wk = 0.0022124 k( 207) = ( 0.0000000 0.0000000 0.1420504), wk = 0.0022124 k( 208) = ( 0.0000000 0.0000000 0.1509286), wk = 0.0022124 k( 209) = ( 0.0000000 0.0000000 0.1509286), wk = 0.0022124 k( 210) = ( 0.0089286 -0.0000000 0.1509286), wk = 0.0022124 k( 211) = ( 0.0178571 -0.0000000 0.1509286), wk = 0.0022124 k( 212) = ( 0.0267857 -0.0000000 0.1509286), wk = 0.0022124 k( 213) = ( 0.0357143 -0.0000000 0.1509286), wk = 0.0022124 k( 214) = ( 0.0446429 -0.0000000 0.1509286), wk = 0.0022124 k( 215) = ( 0.0535714 -0.0000000 0.1509286), wk = 0.0022124 k( 216) = ( 0.0625000 -0.0000000 0.1509286), wk = 0.0022124 k( 217) = ( 0.0714286 -0.0000000 0.1509286), wk = 0.0022124 k( 218) = ( 0.0803571 -0.0000000 0.1509286), wk = 0.0022124 k( 219) = ( 0.0892857 -0.0000000 0.1509286), wk = 0.0022124 k( 220) = ( 0.0982143 -0.0000000 0.1509286), wk = 0.0022124 k( 221) = ( 0.1071429 -0.0000000 0.1509286), wk = 0.0022124 k( 222) = ( 0.1160714 -0.0000000 0.1509286), wk = 0.0022124 k( 223) = ( 0.1250000 -0.0000000 0.1509286), wk = 0.0022124 k( 224) = ( 0.1339286 -0.0000000 0.1509286), wk = 0.0022124 k( 225) = ( 0.1428571 -0.0000000 0.1509286), wk = 0.0022124 k( 226) = ( 0.1517857 -0.0000000 0.1509286), wk = 0.0022124 k( 227) = ( 0.1607143 -0.0000000 0.1509286), wk = 0.0022124 k( 228) = ( 0.1696429 -0.0000000 0.1509286), wk = 0.0022124 k( 229) = ( 0.1785714 -0.0000000 0.1509286), wk = 0.0022124 k( 230) = ( 0.1875000 -0.0000000 0.1509286), wk = 0.0022124 k( 231) = ( 0.1964286 -0.0000000 0.1509286), wk = 0.0022124 k( 232) = ( 0.2053571 -0.0000000 0.1509286), wk = 0.0022124 k( 233) = ( 0.2142857 -0.0000000 0.1509286), wk = 0.0022124 k( 234) = ( 0.2232143 -0.0000000 0.1509286), wk = 0.0022124 k( 235) = ( 0.2321429 -0.0000000 0.1509286), wk = 0.0022124 k( 236) = ( 0.2410714 -0.0000000 0.1509286), wk = 0.0022124 k( 237) = ( 0.2500000 -0.0000000 0.1509286), wk = 0.0022124 k( 238) = ( 0.2589286 -0.0000000 0.1509286), wk = 0.0022124 k( 239) = ( 0.2678571 -0.0000000 0.1509286), wk = 0.0022124 k( 240) = ( 0.2767857 -0.0000000 0.1509286), wk = 0.0022124 k( 241) = ( 0.2857143 -0.0000000 0.1509286), wk = 0.0022124 k( 242) = ( 0.2946429 -0.0000000 0.1509286), wk = 0.0022124 k( 243) = ( 0.3035714 -0.0000000 0.1509286), wk = 0.0022124 k( 244) = ( 0.3125000 -0.0000000 0.1509286), wk = 0.0022124 k( 245) = ( 0.3214286 -0.0000000 0.1509286), wk = 0.0022124 k( 246) = ( 0.3303571 -0.0000000 0.1509286), wk = 0.0022124 k( 247) = ( 0.3392857 -0.0000000 0.1509286), wk = 0.0022124 k( 248) = ( 0.3482143 -0.0000000 0.1509286), wk = 0.0022124 k( 249) = ( 0.3571429 -0.0000000 0.1509286), wk = 0.0022124 k( 250) = ( 0.3660714 -0.0000000 0.1509286), wk = 0.0022124 k( 251) = ( 0.3750000 -0.0000000 0.1509286), wk = 0.0022124 k( 252) = ( 0.3839286 -0.0000000 0.1509286), wk = 0.0022124 k( 253) = ( 0.3928571 -0.0000000 0.1509286), wk = 0.0022124 k( 254) = ( 0.4017857 -0.0000000 0.1509286), wk = 0.0022124 k( 255) = ( 0.4107143 -0.0000000 0.1509286), wk = 0.0022124 k( 256) = ( 0.4196429 -0.0000000 0.1509286), wk = 0.0022124 k( 257) = ( 0.4285714 -0.0000000 0.1509286), wk = 0.0022124 k( 258) = ( 0.4375000 -0.0000000 0.1509286), wk = 0.0022124 k( 259) = ( 0.4464286 -0.0000000 0.1509286), wk = 0.0022124 k( 260) = ( 0.4553571 -0.0000000 0.1509286), wk = 0.0022124 k( 261) = ( 0.4642857 -0.0000000 0.1509286), wk = 0.0022124 k( 262) = ( 0.4732143 -0.0000000 0.1509286), wk = 0.0022124 k( 263) = ( 0.4821429 -0.0000000 0.1509286), wk = 0.0022124 k( 264) = ( 0.4910714 -0.0000000 0.1509286), wk = 0.0022124 k( 265) = ( 0.5000000 -0.0000000 0.1509286), wk = 0.0022124 k( 266) = ( 0.5000000 -0.0000000 0.1509286), wk = 0.0022124 k( 267) = ( 0.5000000 0.0087776 0.1509286), wk = 0.0022124 k( 268) = ( 0.5000000 0.0175552 0.1509286), wk = 0.0022124 k( 269) = ( 0.5000000 0.0263327 0.1509286), wk = 0.0022124 k( 270) = ( 0.5000000 0.0351103 0.1509286), wk = 0.0022124 k( 271) = ( 0.5000000 0.0438879 0.1509286), wk = 0.0022124 k( 272) = ( 0.5000000 0.0526655 0.1509286), wk = 0.0022124 k( 273) = ( 0.5000000 0.0614430 0.1509286), wk = 0.0022124 k( 274) = ( 0.5000000 0.0702206 0.1509286), wk = 0.0022124 k( 275) = ( 0.5000000 0.0789982 0.1509286), wk = 0.0022124 k( 276) = ( 0.5000000 0.0877758 0.1509286), wk = 0.0022124 k( 277) = ( 0.5000000 0.0965533 0.1509286), wk = 0.0022124 k( 278) = ( 0.5000000 0.1053309 0.1509286), wk = 0.0022124 k( 279) = ( 0.5000000 0.1141085 0.1509286), wk = 0.0022124 k( 280) = ( 0.5000000 0.1228861 0.1509286), wk = 0.0022124 k( 281) = ( 0.5000000 0.1316636 0.1509286), wk = 0.0022124 k( 282) = ( 0.5000000 0.1404412 0.1509286), wk = 0.0022124 k( 283) = ( 0.5000000 0.1492188 0.1509286), wk = 0.0022124 k( 284) = ( 0.5000000 0.1579964 0.1509286), wk = 0.0022124 k( 285) = ( 0.5000000 0.1667740 0.1509286), wk = 0.0022124 k( 286) = ( 0.5000000 0.1755515 0.1509286), wk = 0.0022124 k( 287) = ( 0.5000000 0.1843291 0.1509286), wk = 0.0022124 k( 288) = ( 0.5000000 0.1931067 0.1509286), wk = 0.0022124 k( 289) = ( 0.5000000 0.2018843 0.1509286), wk = 0.0022124 k( 290) = ( 0.5000000 0.2106618 0.1509286), wk = 0.0022124 k( 291) = ( 0.5000000 0.2194394 0.1509286), wk = 0.0022124 k( 292) = ( 0.5000000 0.2282170 0.1509286), wk = 0.0022124 k( 293) = ( 0.5000000 0.2369946 0.1509286), wk = 0.0022124 k( 294) = ( 0.5000000 0.2457721 0.1509286), wk = 0.0022124 k( 295) = ( 0.5000000 0.2545497 0.1509286), wk = 0.0022124 k( 296) = ( 0.5000000 0.2633273 0.1509286), wk = 0.0022124 k( 297) = ( 0.5000000 0.2721049 0.1509286), wk = 0.0022124 k( 298) = ( 0.5000000 0.2808824 0.1509286), wk = 0.0022124 k( 299) = ( 0.5000000 0.2896600 0.1509286), wk = 0.0022124 k( 300) = ( 0.5000000 0.2984376 0.1509286), wk = 0.0022124 k( 301) = ( 0.5000000 0.3072152 0.1509286), wk = 0.0022124 k( 302) = ( 0.5000000 0.3159928 0.1509286), wk = 0.0022124 k( 303) = ( 0.5000000 0.3247703 0.1509286), wk = 0.0022124 k( 304) = ( 0.5000000 0.3247703 0.1509286), wk = 0.0022124 k( 305) = ( 0.4910714 0.3247703 0.1509286), wk = 0.0022124 k( 306) = ( 0.4821429 0.3247703 0.1509286), wk = 0.0022124 k( 307) = ( 0.4732143 0.3247703 0.1509286), wk = 0.0022124 k( 308) = ( 0.4642857 0.3247703 0.1509286), wk = 0.0022124 k( 309) = ( 0.4553571 0.3247703 0.1509286), wk = 0.0022124 k( 310) = ( 0.4464286 0.3247703 0.1509286), wk = 0.0022124 k( 311) = ( 0.4375000 0.3247703 0.1509286), wk = 0.0022124 k( 312) = ( 0.4285714 0.3247703 0.1509286), wk = 0.0022124 k( 313) = ( 0.4196429 0.3247703 0.1509286), wk = 0.0022124 k( 314) = ( 0.4107143 0.3247703 0.1509286), wk = 0.0022124 k( 315) = ( 0.4017857 0.3247703 0.1509286), wk = 0.0022124 k( 316) = ( 0.3928571 0.3247703 0.1509286), wk = 0.0022124 k( 317) = ( 0.3839286 0.3247703 0.1509286), wk = 0.0022124 k( 318) = ( 0.3750000 0.3247703 0.1509286), wk = 0.0022124 k( 319) = ( 0.3660714 0.3247703 0.1509286), wk = 0.0022124 k( 320) = ( 0.3571429 0.3247703 0.1509286), wk = 0.0022124 k( 321) = ( 0.3482143 0.3247703 0.1509286), wk = 0.0022124 k( 322) = ( 0.3392857 0.3247703 0.1509286), wk = 0.0022124 k( 323) = ( 0.3303571 0.3247703 0.1509286), wk = 0.0022124 k( 324) = ( 0.3214286 0.3247703 0.1509286), wk = 0.0022124 k( 325) = ( 0.3125000 0.3247703 0.1509286), wk = 0.0022124 k( 326) = ( 0.3035714 0.3247703 0.1509286), wk = 0.0022124 k( 327) = ( 0.2946429 0.3247703 0.1509286), wk = 0.0022124 k( 328) = ( 0.2857143 0.3247703 0.1509286), wk = 0.0022124 k( 329) = ( 0.2767857 0.3247703 0.1509286), wk = 0.0022124 k( 330) = ( 0.2678571 0.3247703 0.1509286), wk = 0.0022124 k( 331) = ( 0.2589286 0.3247703 0.1509286), wk = 0.0022124 k( 332) = ( 0.2500000 0.3247703 0.1509286), wk = 0.0022124 k( 333) = ( 0.2410714 0.3247703 0.1509286), wk = 0.0022124 k( 334) = ( 0.2321429 0.3247703 0.1509286), wk = 0.0022124 k( 335) = ( 0.2232143 0.3247703 0.1509286), wk = 0.0022124 k( 336) = ( 0.2142857 0.3247703 0.1509286), wk = 0.0022124 k( 337) = ( 0.2053571 0.3247703 0.1509286), wk = 0.0022124 k( 338) = ( 0.1964286 0.3247703 0.1509286), wk = 0.0022124 k( 339) = ( 0.1875000 0.3247703 0.1509286), wk = 0.0022124 k( 340) = ( 0.1785714 0.3247703 0.1509286), wk = 0.0022124 k( 341) = ( 0.1696429 0.3247703 0.1509286), wk = 0.0022124 k( 342) = ( 0.1607143 0.3247703 0.1509286), wk = 0.0022124 k( 343) = ( 0.1517857 0.3247703 0.1509286), wk = 0.0022124 k( 344) = ( 0.1428571 0.3247703 0.1509286), wk = 0.0022124 k( 345) = ( 0.1339286 0.3247703 0.1509286), wk = 0.0022124 k( 346) = ( 0.1250000 0.3247703 0.1509286), wk = 0.0022124 k( 347) = ( 0.1160714 0.3247703 0.1509286), wk = 0.0022124 k( 348) = ( 0.1071429 0.3247703 0.1509286), wk = 0.0022124 k( 349) = ( 0.0982143 0.3247703 0.1509286), wk = 0.0022124 k( 350) = ( 0.0892857 0.3247703 0.1509286), wk = 0.0022124 k( 351) = ( 0.0803571 0.3247703 0.1509286), wk = 0.0022124 k( 352) = ( 0.0714286 0.3247703 0.1509286), wk = 0.0022124 k( 353) = ( 0.0625000 0.3247703 0.1509286), wk = 0.0022124 k( 354) = ( 0.0535714 0.3247703 0.1509286), wk = 0.0022124 k( 355) = ( 0.0446429 0.3247703 0.1509286), wk = 0.0022124 k( 356) = ( 0.0357143 0.3247703 0.1509286), wk = 0.0022124 k( 357) = ( 0.0267857 0.3247703 0.1509286), wk = 0.0022124 k( 358) = ( 0.0178571 0.3247703 0.1509286), wk = 0.0022124 k( 359) = ( 0.0089286 0.3247703 0.1509286), wk = 0.0022124 k( 360) = ( 0.0000000 0.3247703 0.1509286), wk = 0.0022124 k( 361) = ( 0.0000000 0.3247703 0.1509286), wk = 0.0022124 k( 362) = ( 0.0000000 0.3159928 0.1509286), wk = 0.0022124 k( 363) = ( 0.0000000 0.3072152 0.1509286), wk = 0.0022124 k( 364) = ( 0.0000000 0.2984376 0.1509286), wk = 0.0022124 k( 365) = ( 0.0000000 0.2896600 0.1509286), wk = 0.0022124 k( 366) = ( 0.0000000 0.2808824 0.1509286), wk = 0.0022124 k( 367) = ( 0.0000000 0.2721049 0.1509286), wk = 0.0022124 k( 368) = ( 0.0000000 0.2633273 0.1509286), wk = 0.0022124 k( 369) = ( 0.0000000 0.2545497 0.1509286), wk = 0.0022124 k( 370) = ( 0.0000000 0.2457721 0.1509286), wk = 0.0022124 k( 371) = ( 0.0000000 0.2369946 0.1509286), wk = 0.0022124 k( 372) = ( 0.0000000 0.2282170 0.1509286), wk = 0.0022124 k( 373) = ( 0.0000000 0.2194394 0.1509286), wk = 0.0022124 k( 374) = ( 0.0000000 0.2106618 0.1509286), wk = 0.0022124 k( 375) = ( 0.0000000 0.2018843 0.1509286), wk = 0.0022124 k( 376) = ( 0.0000000 0.1931067 0.1509286), wk = 0.0022124 k( 377) = ( 0.0000000 0.1843291 0.1509286), wk = 0.0022124 k( 378) = ( 0.0000000 0.1755515 0.1509286), wk = 0.0022124 k( 379) = ( 0.0000000 0.1667740 0.1509286), wk = 0.0022124 k( 380) = ( 0.0000000 0.1579964 0.1509286), wk = 0.0022124 k( 381) = ( 0.0000000 0.1492188 0.1509286), wk = 0.0022124 k( 382) = ( 0.0000000 0.1404412 0.1509286), wk = 0.0022124 k( 383) = ( 0.0000000 0.1316636 0.1509286), wk = 0.0022124 k( 384) = ( 0.0000000 0.1228861 0.1509286), wk = 0.0022124 k( 385) = ( 0.0000000 0.1141085 0.1509286), wk = 0.0022124 k( 386) = ( 0.0000000 0.1053309 0.1509286), wk = 0.0022124 k( 387) = ( 0.0000000 0.0965533 0.1509286), wk = 0.0022124 k( 388) = ( 0.0000000 0.0877758 0.1509286), wk = 0.0022124 k( 389) = ( 0.0000000 0.0789982 0.1509286), wk = 0.0022124 k( 390) = ( 0.0000000 0.0702206 0.1509286), wk = 0.0022124 k( 391) = ( 0.0000000 0.0614430 0.1509286), wk = 0.0022124 k( 392) = ( 0.0000000 0.0526655 0.1509286), wk = 0.0022124 k( 393) = ( 0.0000000 0.0438879 0.1509286), wk = 0.0022124 k( 394) = ( 0.0000000 0.0351103 0.1509286), wk = 0.0022124 k( 395) = ( 0.0000000 0.0263327 0.1509286), wk = 0.0022124 k( 396) = ( 0.0000000 0.0175552 0.1509286), wk = 0.0022124 k( 397) = ( 0.0000000 0.0087776 0.1509286), wk = 0.0022124 k( 398) = ( 0.0000000 0.0000000 0.1509286), wk = 0.0022124 k( 399) = ( 0.0000000 0.3247703 -0.0000000), wk = 0.0022124 k( 400) = ( 0.0000000 0.3247703 0.0088782), wk = 0.0022124 k( 401) = ( 0.0000000 0.3247703 0.0177563), wk = 0.0022124 k( 402) = ( 0.0000000 0.3247703 0.0266345), wk = 0.0022124 k( 403) = ( 0.0000000 0.3247703 0.0355126), wk = 0.0022124 k( 404) = ( 0.0000000 0.3247703 0.0443908), wk = 0.0022124 k( 405) = ( 0.0000000 0.3247703 0.0532689), wk = 0.0022124 k( 406) = ( 0.0000000 0.3247703 0.0621471), wk = 0.0022124 k( 407) = ( 0.0000000 0.3247703 0.0710252), wk = 0.0022124 k( 408) = ( 0.0000000 0.3247703 0.0799034), wk = 0.0022124 k( 409) = ( 0.0000000 0.3247703 0.0887815), wk = 0.0022124 k( 410) = ( 0.0000000 0.3247703 0.0976597), wk = 0.0022124 k( 411) = ( 0.0000000 0.3247703 0.1065378), wk = 0.0022124 k( 412) = ( 0.0000000 0.3247703 0.1154160), wk = 0.0022124 k( 413) = ( 0.0000000 0.3247703 0.1242941), wk = 0.0022124 k( 414) = ( 0.0000000 0.3247703 0.1331723), wk = 0.0022124 k( 415) = ( 0.0000000 0.3247703 0.1420504), wk = 0.0022124 k( 416) = ( 0.0000000 0.3247703 0.1509286), wk = 0.0022124 k( 417) = ( 0.5000000 -0.0000000 0.1509286), wk = 0.0022124 k( 418) = ( 0.5000000 -0.0000000 0.1420504), wk = 0.0022124 k( 419) = ( 0.5000000 -0.0000000 0.1331723), wk = 0.0022124 k( 420) = ( 0.5000000 -0.0000000 0.1242941), wk = 0.0022124 k( 421) = ( 0.5000000 -0.0000000 0.1154160), wk = 0.0022124 k( 422) = ( 0.5000000 -0.0000000 0.1065378), wk = 0.0022124 k( 423) = ( 0.5000000 -0.0000000 0.0976597), wk = 0.0022124 k( 424) = ( 0.5000000 -0.0000000 0.0887815), wk = 0.0022124 k( 425) = ( 0.5000000 -0.0000000 0.0799034), wk = 0.0022124 k( 426) = ( 0.5000000 -0.0000000 0.0710252), wk = 0.0022124 k( 427) = ( 0.5000000 -0.0000000 0.0621471), wk = 0.0022124 k( 428) = ( 0.5000000 -0.0000000 0.0532689), wk = 0.0022124 k( 429) = ( 0.5000000 -0.0000000 0.0443908), wk = 0.0022124 k( 430) = ( 0.5000000 -0.0000000 0.0355126), wk = 0.0022124 k( 431) = ( 0.5000000 -0.0000000 0.0266345), wk = 0.0022124 k( 432) = ( 0.5000000 -0.0000000 0.0177563), wk = 0.0022124 k( 433) = ( 0.5000000 -0.0000000 0.0088782), wk = 0.0022124 k( 434) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022124 k( 435) = ( 0.5000000 0.3247703 -0.0000000), wk = 0.0022124 k( 436) = ( 0.5000000 0.3247703 0.0088782), wk = 0.0022124 k( 437) = ( 0.5000000 0.3247703 0.0177563), wk = 0.0022124 k( 438) = ( 0.5000000 0.3247703 0.0266345), wk = 0.0022124 k( 439) = ( 0.5000000 0.3247703 0.0355126), wk = 0.0022124 k( 440) = ( 0.5000000 0.3247703 0.0443908), wk = 0.0022124 k( 441) = ( 0.5000000 0.3247703 0.0532689), wk = 0.0022124 k( 442) = ( 0.5000000 0.3247703 0.0621471), wk = 0.0022124 k( 443) = ( 0.5000000 0.3247703 0.0710252), wk = 0.0022124 k( 444) = ( 0.5000000 0.3247703 0.0799034), wk = 0.0022124 k( 445) = ( 0.5000000 0.3247703 0.0887815), wk = 0.0022124 k( 446) = ( 0.5000000 0.3247703 0.0976597), wk = 0.0022124 k( 447) = ( 0.5000000 0.3247703 0.1065378), wk = 0.0022124 k( 448) = ( 0.5000000 0.3247703 0.1154160), wk = 0.0022124 k( 449) = ( 0.5000000 0.3247703 0.1242941), wk = 0.0022124 k( 450) = ( 0.5000000 0.3247703 0.1331723), wk = 0.0022124 k( 451) = ( 0.5000000 0.3247703 0.1420504), wk = 0.0022124 k( 452) = ( 0.5000000 0.3247703 0.1509286), wk = 0.0022124 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( 0.0089286 -0.0000000 0.0000000), wk = 0.0022124 k( 3) = ( 0.0178571 -0.0000000 0.0000000), wk = 0.0022124 k( 4) = ( 0.0267857 -0.0000000 0.0000000), wk = 0.0022124 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0022124 k( 6) = ( 0.0446429 -0.0000000 0.0000000), wk = 0.0022124 k( 7) = ( 0.0535714 -0.0000000 0.0000000), wk = 0.0022124 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0022124 k( 9) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0022124 k( 10) = ( 0.0803571 -0.0000000 0.0000000), wk = 0.0022124 k( 11) = ( 0.0892857 -0.0000000 0.0000000), wk = 0.0022124 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0022124 k( 13) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0022124 k( 14) = ( 0.1160714 -0.0000000 0.0000000), wk = 0.0022124 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0022124 k( 16) = ( 0.1339286 -0.0000000 0.0000000), wk = 0.0022124 k( 17) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0022124 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0022124 k( 19) = ( 0.1607143 -0.0000000 0.0000000), wk = 0.0022124 k( 20) = ( 0.1696429 -0.0000000 0.0000000), wk = 0.0022124 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0022124 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0022124 k( 23) = ( 0.1964286 -0.0000000 0.0000000), wk = 0.0022124 k( 24) = ( 0.2053571 -0.0000000 0.0000000), wk = 0.0022124 k( 25) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0022124 k( 26) = ( 0.2232143 -0.0000000 0.0000000), wk = 0.0022124 k( 27) = ( 0.2321429 -0.0000000 0.0000000), wk = 0.0022124 k( 28) = ( 0.2410714 -0.0000000 0.0000000), wk = 0.0022124 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0022124 k( 30) = ( 0.2589286 -0.0000000 0.0000000), wk = 0.0022124 k( 31) = ( 0.2678571 -0.0000000 0.0000000), wk = 0.0022124 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0022124 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0022124 k( 34) = ( 0.2946429 -0.0000000 0.0000000), wk = 0.0022124 k( 35) = ( 0.3035714 -0.0000000 0.0000000), wk = 0.0022124 k( 36) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0022124 k( 37) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0022124 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0022124 k( 39) = ( 0.3392857 -0.0000000 0.0000000), wk = 0.0022124 k( 40) = ( 0.3482143 -0.0000000 0.0000000), wk = 0.0022124 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0022124 k( 42) = ( 0.3660714 -0.0000000 0.0000000), wk = 0.0022124 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0022124 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0022124 k( 45) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0022124 k( 46) = ( 0.4017857 -0.0000000 -0.0000000), wk = 0.0022124 k( 47) = ( 0.4107143 -0.0000000 0.0000000), wk = 0.0022124 k( 48) = ( 0.4196429 -0.0000000 0.0000000), wk = 0.0022124 k( 49) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0022124 k( 50) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0022124 k( 51) = ( 0.4464286 -0.0000000 0.0000000), wk = 0.0022124 k( 52) = ( 0.4553571 -0.0000000 0.0000000), wk = 0.0022124 k( 53) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0022124 k( 54) = ( 0.4732143 -0.0000000 0.0000000), wk = 0.0022124 k( 55) = ( 0.4821429 -0.0000000 0.0000000), wk = 0.0022124 k( 56) = ( 0.4910714 -0.0000000 0.0000000), wk = 0.0022124 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 59) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0022124 k( 60) = ( 0.5000000 0.0270270 0.0000000), wk = 0.0022124 k( 61) = ( 0.5000000 0.0405405 0.0000000), wk = 0.0022124 k( 62) = ( 0.5000000 0.0540540 0.0000000), wk = 0.0022124 k( 63) = ( 0.5000000 0.0675676 0.0000000), wk = 0.0022124 k( 64) = ( 0.5000000 0.0810811 0.0000000), wk = 0.0022124 k( 65) = ( 0.5000000 0.0945946 0.0000000), wk = 0.0022124 k( 66) = ( 0.5000000 0.1081081 0.0000000), wk = 0.0022124 k( 67) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0022124 k( 68) = ( 0.5000000 0.1351351 0.0000000), wk = 0.0022124 k( 69) = ( 0.5000000 0.1486486 0.0000000), wk = 0.0022124 k( 70) = ( 0.5000000 0.1621622 0.0000000), wk = 0.0022124 k( 71) = ( 0.5000000 0.1756757 0.0000000), wk = 0.0022124 k( 72) = ( 0.5000000 0.1891892 0.0000000), wk = 0.0022124 k( 73) = ( 0.5000000 0.2027027 0.0000000), wk = 0.0022124 k( 74) = ( 0.5000000 0.2162162 0.0000000), wk = 0.0022124 k( 75) = ( 0.5000000 0.2297297 0.0000000), wk = 0.0022124 k( 76) = ( 0.5000000 0.2432432 0.0000000), wk = 0.0022124 k( 77) = ( 0.5000000 0.2567568 0.0000000), wk = 0.0022124 k( 78) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0022124 k( 79) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0022124 k( 80) = ( 0.5000000 0.2972973 0.0000000), wk = 0.0022124 k( 81) = ( 0.5000000 0.3108108 0.0000000), wk = 0.0022124 k( 82) = ( 0.5000000 0.3243243 0.0000000), wk = 0.0022124 k( 83) = ( 0.5000000 0.3378378 -0.0000000), wk = 0.0022124 k( 84) = ( 0.5000000 0.3513514 0.0000000), wk = 0.0022124 k( 85) = ( 0.5000000 0.3648649 0.0000000), wk = 0.0022124 k( 86) = ( 0.5000000 0.3783784 0.0000000), wk = 0.0022124 k( 87) = ( 0.5000000 0.3918919 0.0000000), wk = 0.0022124 k( 88) = ( 0.5000000 0.4054054 0.0000000), wk = 0.0022124 k( 89) = ( 0.5000000 0.4189189 0.0000000), wk = 0.0022124 k( 90) = ( 0.5000000 0.4324324 0.0000000), wk = 0.0022124 k( 91) = ( 0.5000000 0.4459459 -0.0000000), wk = 0.0022124 k( 92) = ( 0.5000000 0.4594595 0.0000000), wk = 0.0022124 k( 93) = ( 0.5000000 0.4729730 -0.0000000), wk = 0.0022124 k( 94) = ( 0.5000000 0.4864865 0.0000000), wk = 0.0022124 k( 95) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022124 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022124 k( 97) = ( 0.4910714 0.5000000 0.0000000), wk = 0.0022124 k( 98) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0022124 k( 99) = ( 0.4732143 0.5000000 0.0000000), wk = 0.0022124 k( 100) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0022124 k( 101) = ( 0.4553571 0.5000000 -0.0000000), wk = 0.0022124 k( 102) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0022124 k( 103) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0022124 k( 104) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0022124 k( 105) = ( 0.4196429 0.5000000 0.0000000), wk = 0.0022124 k( 106) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0022124 k( 107) = ( 0.4017857 0.5000000 0.0000000), wk = 0.0022124 k( 108) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0022124 k( 109) = ( 0.3839286 0.5000000 -0.0000000), wk = 0.0022124 k( 110) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0022124 k( 111) = ( 0.3660714 0.5000000 0.0000000), wk = 0.0022124 k( 112) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0022124 k( 113) = ( 0.3482143 0.5000000 -0.0000000), wk = 0.0022124 k( 114) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0022124 k( 115) = ( 0.3303571 0.5000000 0.0000000), wk = 0.0022124 k( 116) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0022124 k( 117) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0022124 k( 118) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0022124 k( 119) = ( 0.2946429 0.5000000 0.0000000), wk = 0.0022124 k( 120) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0022124 k( 121) = ( 0.2767857 0.5000000 0.0000000), wk = 0.0022124 k( 122) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0022124 k( 123) = ( 0.2589286 0.5000000 0.0000000), wk = 0.0022124 k( 124) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0022124 k( 125) = ( 0.2410714 0.5000000 0.0000000), wk = 0.0022124 k( 126) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0022124 k( 127) = ( 0.2232143 0.5000000 0.0000000), wk = 0.0022124 k( 128) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0022124 k( 129) = ( 0.2053571 0.5000000 0.0000000), wk = 0.0022124 k( 130) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0022124 k( 131) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0022124 k( 132) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0022124 k( 133) = ( 0.1696429 0.5000000 0.0000000), wk = 0.0022124 k( 134) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0022124 k( 135) = ( 0.1517857 0.5000000 0.0000000), wk = 0.0022124 k( 136) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0022124 k( 137) = ( 0.1339286 0.5000000 0.0000000), wk = 0.0022124 k( 138) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0022124 k( 139) = ( 0.1160714 0.5000000 0.0000000), wk = 0.0022124 k( 140) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0022124 k( 141) = ( 0.0982143 0.5000000 0.0000000), wk = 0.0022124 k( 142) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0022124 k( 143) = ( 0.0803571 0.5000000 0.0000000), wk = 0.0022124 k( 144) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0022124 k( 145) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0022124 k( 146) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0022124 k( 147) = ( 0.0446429 0.5000000 0.0000000), wk = 0.0022124 k( 148) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0022124 k( 149) = ( 0.0267857 0.5000000 0.0000000), wk = 0.0022124 k( 150) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0022124 k( 151) = ( 0.0089286 0.5000000 0.0000000), wk = 0.0022124 k( 152) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022124 k( 153) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022124 k( 154) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0022124 k( 155) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0022124 k( 156) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0022124 k( 157) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0022124 k( 158) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0022124 k( 159) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0022124 k( 160) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0022124 k( 161) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0022124 k( 162) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0022124 k( 163) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0022124 k( 164) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0022124 k( 165) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0022124 k( 166) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0022124 k( 167) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0022124 k( 168) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0022124 k( 169) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0022124 k( 170) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0022124 k( 171) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0022124 k( 172) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0022124 k( 173) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0022124 k( 174) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0022124 k( 175) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0022124 k( 176) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0022124 k( 177) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0022124 k( 178) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0022124 k( 179) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0022124 k( 180) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0022124 k( 181) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0022124 k( 182) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0022124 k( 183) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0022124 k( 184) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0022124 k( 185) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0022124 k( 186) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0022124 k( 187) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0022124 k( 188) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0022124 k( 189) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0022124 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 192) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0022124 k( 193) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0022124 k( 194) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0022124 k( 195) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0022124 k( 196) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0022124 k( 197) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0022124 k( 198) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0022124 k( 199) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0022124 k( 200) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0022124 k( 201) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0022124 k( 202) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0022124 k( 203) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0022124 k( 204) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0022124 k( 205) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0022124 k( 206) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0022124 k( 207) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0022124 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 210) = ( 0.0089286 -0.0000000 0.5000000), wk = 0.0022124 k( 211) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0022124 k( 212) = ( 0.0267857 -0.0000000 0.5000000), wk = 0.0022124 k( 213) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0022124 k( 214) = ( 0.0446429 -0.0000000 0.5000000), wk = 0.0022124 k( 215) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0022124 k( 216) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0022124 k( 217) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0022124 k( 218) = ( 0.0803571 -0.0000000 0.5000000), wk = 0.0022124 k( 219) = ( 0.0892857 -0.0000000 0.5000000), wk = 0.0022124 k( 220) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0022124 k( 221) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0022124 k( 222) = ( 0.1160714 -0.0000000 0.5000000), wk = 0.0022124 k( 223) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0022124 k( 224) = ( 0.1339286 -0.0000000 0.5000000), wk = 0.0022124 k( 225) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0022124 k( 226) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0022124 k( 227) = ( 0.1607143 -0.0000000 0.5000000), wk = 0.0022124 k( 228) = ( 0.1696429 -0.0000000 0.5000000), wk = 0.0022124 k( 229) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0022124 k( 230) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0022124 k( 231) = ( 0.1964286 -0.0000000 0.5000000), wk = 0.0022124 k( 232) = ( 0.2053571 -0.0000000 0.5000000), wk = 0.0022124 k( 233) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0022124 k( 234) = ( 0.2232143 -0.0000000 0.5000000), wk = 0.0022124 k( 235) = ( 0.2321429 -0.0000000 0.5000000), wk = 0.0022124 k( 236) = ( 0.2410714 -0.0000000 0.5000000), wk = 0.0022124 k( 237) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0022124 k( 238) = ( 0.2589286 -0.0000000 0.5000000), wk = 0.0022124 k( 239) = ( 0.2678571 -0.0000000 0.5000000), wk = 0.0022124 k( 240) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0022124 k( 241) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0022124 k( 242) = ( 0.2946429 -0.0000000 0.5000000), wk = 0.0022124 k( 243) = ( 0.3035714 -0.0000000 0.5000000), wk = 0.0022124 k( 244) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0022124 k( 245) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0022124 k( 246) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0022124 k( 247) = ( 0.3392857 -0.0000000 0.5000000), wk = 0.0022124 k( 248) = ( 0.3482143 -0.0000000 0.5000000), wk = 0.0022124 k( 249) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0022124 k( 250) = ( 0.3660714 -0.0000000 0.5000000), wk = 0.0022124 k( 251) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0022124 k( 252) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0022124 k( 253) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0022124 k( 254) = ( 0.4017857 -0.0000000 0.5000000), wk = 0.0022124 k( 255) = ( 0.4107143 -0.0000000 0.5000000), wk = 0.0022124 k( 256) = ( 0.4196429 -0.0000000 0.5000000), wk = 0.0022124 k( 257) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0022124 k( 258) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0022124 k( 259) = ( 0.4464286 -0.0000000 0.5000000), wk = 0.0022124 k( 260) = ( 0.4553571 -0.0000000 0.5000000), wk = 0.0022124 k( 261) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0022124 k( 262) = ( 0.4732143 -0.0000000 0.5000000), wk = 0.0022124 k( 263) = ( 0.4821429 -0.0000000 0.5000000), wk = 0.0022124 k( 264) = ( 0.4910714 -0.0000000 0.5000000), wk = 0.0022124 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022124 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022124 k( 267) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0022124 k( 268) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0022124 k( 269) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0022124 k( 270) = ( 0.5000000 0.0540540 0.5000000), wk = 0.0022124 k( 271) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0022124 k( 272) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0022124 k( 273) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0022124 k( 274) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0022124 k( 275) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0022124 k( 276) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0022124 k( 277) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0022124 k( 278) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0022124 k( 279) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0022124 k( 280) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0022124 k( 281) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0022124 k( 282) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0022124 k( 283) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0022124 k( 284) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0022124 k( 285) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0022124 k( 286) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0022124 k( 287) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0022124 k( 288) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0022124 k( 289) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0022124 k( 290) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0022124 k( 291) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0022124 k( 292) = ( 0.5000000 0.3513514 0.5000000), wk = 0.0022124 k( 293) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0022124 k( 294) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0022124 k( 295) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0022124 k( 296) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0022124 k( 297) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0022124 k( 298) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0022124 k( 299) = ( 0.5000000 0.4459459 0.5000000), wk = 0.0022124 k( 300) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0022124 k( 301) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0022124 k( 302) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0022124 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022124 k( 304) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022124 k( 305) = ( 0.4910714 0.5000000 0.5000000), wk = 0.0022124 k( 306) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0022124 k( 307) = ( 0.4732143 0.5000000 0.5000000), wk = 0.0022124 k( 308) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0022124 k( 309) = ( 0.4553571 0.5000000 0.5000000), wk = 0.0022124 k( 310) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0022124 k( 311) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0022124 k( 312) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0022124 k( 313) = ( 0.4196429 0.5000000 0.5000000), wk = 0.0022124 k( 314) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0022124 k( 315) = ( 0.4017857 0.5000000 0.5000000), wk = 0.0022124 k( 316) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0022124 k( 317) = ( 0.3839286 0.5000000 0.5000000), wk = 0.0022124 k( 318) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022124 k( 319) = ( 0.3660714 0.5000000 0.5000000), wk = 0.0022124 k( 320) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0022124 k( 321) = ( 0.3482143 0.5000000 0.5000000), wk = 0.0022124 k( 322) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0022124 k( 323) = ( 0.3303571 0.5000000 0.5000000), wk = 0.0022124 k( 324) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0022124 k( 325) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0022124 k( 326) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0022124 k( 327) = ( 0.2946429 0.5000000 0.5000000), wk = 0.0022124 k( 328) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0022124 k( 329) = ( 0.2767857 0.5000000 0.5000000), wk = 0.0022124 k( 330) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0022124 k( 331) = ( 0.2589286 0.5000000 0.5000000), wk = 0.0022124 k( 332) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022124 k( 333) = ( 0.2410714 0.5000000 0.5000000), wk = 0.0022124 k( 334) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0022124 k( 335) = ( 0.2232143 0.5000000 0.5000000), wk = 0.0022124 k( 336) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0022124 k( 337) = ( 0.2053571 0.5000000 0.5000000), wk = 0.0022124 k( 338) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0022124 k( 339) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0022124 k( 340) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0022124 k( 341) = ( 0.1696429 0.5000000 0.5000000), wk = 0.0022124 k( 342) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0022124 k( 343) = ( 0.1517857 0.5000000 0.5000000), wk = 0.0022124 k( 344) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0022124 k( 345) = ( 0.1339286 0.5000000 0.5000000), wk = 0.0022124 k( 346) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022124 k( 347) = ( 0.1160714 0.5000000 0.5000000), wk = 0.0022124 k( 348) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0022124 k( 349) = ( 0.0982143 0.5000000 0.5000000), wk = 0.0022124 k( 350) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0022124 k( 351) = ( 0.0803571 0.5000000 0.5000000), wk = 0.0022124 k( 352) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0022124 k( 353) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0022124 k( 354) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0022124 k( 355) = ( 0.0446429 0.5000000 0.5000000), wk = 0.0022124 k( 356) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0022124 k( 357) = ( 0.0267857 0.5000000 0.5000000), wk = 0.0022124 k( 358) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0022124 k( 359) = ( 0.0089286 0.5000000 0.5000000), wk = 0.0022124 k( 360) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022124 k( 361) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022124 k( 362) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0022124 k( 363) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0022124 k( 364) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0022124 k( 365) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0022124 k( 366) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0022124 k( 367) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0022124 k( 368) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0022124 k( 369) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0022124 k( 370) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0022124 k( 371) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0022124 k( 372) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0022124 k( 373) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0022124 k( 374) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0022124 k( 375) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0022124 k( 376) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0022124 k( 377) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0022124 k( 378) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0022124 k( 379) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0022124 k( 380) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0022124 k( 381) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0022124 k( 382) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0022124 k( 383) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0022124 k( 384) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0022124 k( 385) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0022124 k( 386) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0022124 k( 387) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0022124 k( 388) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0022124 k( 389) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0022124 k( 390) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0022124 k( 391) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0022124 k( 392) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0022124 k( 393) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0022124 k( 394) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0022124 k( 395) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0022124 k( 396) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0022124 k( 397) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0022124 k( 398) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 399) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022124 k( 400) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0022124 k( 401) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0022124 k( 402) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0022124 k( 403) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0022124 k( 404) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0022124 k( 405) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0022124 k( 406) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0022124 k( 407) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0022124 k( 408) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0022124 k( 409) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0022124 k( 410) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0022124 k( 411) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0022124 k( 412) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0022124 k( 413) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0022124 k( 414) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0022124 k( 415) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0022124 k( 416) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022124 k( 417) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022124 k( 418) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0022124 k( 419) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0022124 k( 420) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0022124 k( 421) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0022124 k( 422) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0022124 k( 423) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0022124 k( 424) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0022124 k( 425) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0022124 k( 426) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0022124 k( 427) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0022124 k( 428) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0022124 k( 429) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0022124 k( 430) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0022124 k( 431) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0022124 k( 432) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0022124 k( 433) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0022124 k( 434) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 435) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022124 k( 436) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0022124 k( 437) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0022124 k( 438) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0022124 k( 439) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0022124 k( 440) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0022124 k( 441) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0022124 k( 442) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0022124 k( 443) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0022124 k( 444) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0022124 k( 445) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0022124 k( 446) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0022124 k( 447) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0022124 k( 448) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0022124 k( 449) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0022124 k( 450) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0022124 k( 451) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0022124 k( 452) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022124 Dense grid: 76677 G-vectors FFT dimensions: ( 32, 48, 108) Smooth grid: 33889 G-vectors FFT dimensions: ( 24, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 266, 76) NL pseudopotentials 0.52 Mb ( 133, 256) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.02 Mb ( 2136) G-vector shells 0.01 Mb ( 1084) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.23 Mb ( 266, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.59 Mb ( 256, 2, 76) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlHO2.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.6 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.5 secs Computing kpt #: 13 total cpu time spent up to now is 13.4 secs Computing kpt #: 14 total cpu time spent up to now is 14.3 secs Computing kpt #: 15 total cpu time spent up to now is 15.3 secs Computing kpt #: 16 total cpu time spent up to now is 16.3 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.3 secs Computing kpt #: 19 total cpu time spent up to now is 19.3 secs Computing kpt #: 20 total cpu time spent up to now is 20.3 secs Computing kpt #: 21 total cpu time spent up to now is 21.3 secs Computing kpt #: 22 total cpu time spent up to now is 22.4 secs Computing kpt #: 23 total cpu time spent up to now is 23.4 secs Computing kpt #: 24 total cpu time spent up to now is 24.4 secs Computing kpt #: 25 total cpu time spent up to now is 25.4 secs Computing kpt #: 26 total cpu time spent up to now is 26.5 secs Computing kpt #: 27 total cpu time spent up to now is 27.5 secs Computing kpt #: 28 total cpu time spent up to now is 28.6 secs Computing kpt #: 29 total cpu time spent up to now is 29.6 secs Computing kpt #: 30 total cpu time spent up to now is 30.7 secs Computing kpt #: 31 total cpu time spent up to now is 32.1 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.7 secs Computing kpt #: 33 total cpu time spent up to now is 36.9 secs Computing kpt #: 34 total cpu time spent up to now is 38.6 secs Computing kpt #: 35 total cpu time spent up to now is 40.0 secs Computing kpt #: 36 total cpu time spent up to now is 41.3 secs Computing kpt #: 37 total cpu time spent up to now is 42.5 secs Computing kpt #: 38 total cpu time spent up to now is 43.9 secs Computing kpt #: 39 total cpu time spent up to now is 45.1 secs Computing kpt #: 40 total cpu time spent up to now is 46.3 secs Computing kpt #: 41 total cpu time spent up to now is 47.7 secs Computing kpt #: 42 total cpu time spent up to now is 48.8 secs Computing kpt #: 43 total cpu time spent up to now is 49.9 secs Computing kpt #: 44 total cpu time spent up to now is 51.1 secs Computing kpt #: 45 total cpu time spent up to now is 52.2 secs Computing kpt #: 46 total cpu time spent up to now is 53.3 secs Computing kpt #: 47 total cpu time spent up to now is 54.4 secs Computing kpt #: 48 total cpu time spent up to now is 55.6 secs Computing kpt #: 49 total cpu time spent up to now is 56.7 secs Computing kpt #: 50 total cpu time spent up to now is 57.9 secs Computing kpt #: 51 total cpu time spent up to now is 59.0 secs Computing kpt #: 52 total cpu time spent up to now is 60.1 secs Computing kpt #: 53 total cpu time spent up to now is 61.3 secs Computing kpt #: 54 total cpu time spent up to now is 62.4 secs Computing kpt #: 55 total cpu time spent up to now is 63.6 secs Computing kpt #: 56 total cpu time spent up to now is 64.8 secs Computing kpt #: 57 total cpu time spent up to now is 66.0 secs Computing kpt #: 58 total cpu time spent up to now is 67.2 secs Computing kpt #: 59 total cpu time spent up to now is 68.4 secs Computing kpt #: 60 total cpu time spent up to now is 69.6 secs Computing kpt #: 61 total cpu time spent up to now is 71.1 secs Computing kpt #: 62 total cpu time spent up to now is 72.6 secs Computing kpt #: 63 total cpu time spent up to now is 73.8 secs Computing kpt #: 64 total cpu time spent up to now is 75.3 secs Computing kpt #: 65 total cpu time spent up to now is 76.8 secs Computing kpt #: 66 total cpu time spent up to now is 77.9 secs Computing kpt #: 67 total cpu time spent up to now is 79.0 secs Computing kpt #: 68 total cpu time spent up to now is 80.1 secs Computing kpt #: 69 total cpu time spent up to now is 82.2 secs Computing kpt #: 70 total cpu time spent up to now is 83.3 secs Computing kpt #: 71 total cpu time spent up to now is 84.3 secs Computing kpt #: 72 total cpu time spent up to now is 85.4 secs Computing kpt #: 73 total cpu time spent up to now is 86.4 secs Computing kpt #: 74 total cpu time spent up to now is 87.5 secs Computing kpt #: 75 total cpu time spent up to now is 88.5 secs Computing kpt #: 76 total cpu time spent up to now is 89.5 secs Computing kpt #: 77 total cpu time spent up to now is 90.6 secs Computing kpt #: 78 total cpu time spent up to now is 91.6 secs Computing kpt #: 79 total cpu time spent up to now is 92.7 secs Computing kpt #: 80 total cpu time spent up to now is 93.7 secs Computing kpt #: 81 total cpu time spent up to now is 94.8 secs Computing kpt #: 82 total cpu time spent up to now is 95.8 secs Computing kpt #: 83 total cpu time spent up to now is 96.8 secs Computing kpt #: 84 total cpu time spent up to now is 97.9 secs Computing kpt #: 85 total cpu time spent up to now is 98.9 secs Computing kpt #: 86 total cpu time spent up to now is 99.9 secs Computing kpt #: 87 total cpu time spent up to now is 100.9 secs Computing kpt #: 88 total cpu time spent up to now is 101.9 secs Computing kpt #: 89 total cpu time spent up to now is 102.8 secs Computing kpt #: 90 total cpu time spent up to now is 103.8 secs Computing kpt #: 91 total cpu time spent up to now is 104.7 secs Computing kpt #: 92 total cpu time spent up to now is 105.7 secs Computing kpt #: 93 total cpu time spent up to now is 106.8 secs Computing kpt #: 94 total cpu time spent up to now is 107.8 secs Computing kpt #: 95 total cpu time spent up to now is 108.8 secs Computing kpt #: 96 total cpu time spent up to now is 109.8 secs Computing kpt #: 97 total cpu time spent up to now is 110.8 secs Computing kpt #: 98 total cpu time spent up to now is 111.9 secs Computing kpt #: 99 total cpu time spent up to now is 112.9 secs Computing kpt #: 100 total cpu time spent up to now is 113.9 secs Computing kpt #: 101 total cpu time spent up to now is 114.9 secs Computing kpt #: 102 total cpu time spent up to now is 115.8 secs Computing kpt #: 103 total cpu time spent up to now is 116.7 secs Computing kpt #: 104 total cpu time spent up to now is 117.6 secs Computing kpt #: 105 total cpu time spent up to now is 118.5 secs Computing kpt #: 106 total cpu time spent up to now is 119.4 secs Computing kpt #: 107 total cpu time spent up to now is 120.3 secs Computing kpt #: 108 total cpu time spent up to now is 121.2 secs Computing kpt #: 109 total cpu time spent up to now is 122.1 secs Computing kpt #: 110 total cpu time spent up to now is 123.0 secs Computing kpt #: 111 total cpu time spent up to now is 123.9 secs Computing kpt #: 112 total cpu time spent up to now is 124.8 secs Computing kpt #: 113 total cpu time spent up to now is 125.7 secs Computing kpt #: 114 total cpu time spent up to now is 126.5 secs Computing kpt #: 115 total cpu time spent up to now is 127.4 secs Computing kpt #: 116 total cpu time spent up to now is 128.3 secs Computing kpt #: 117 total cpu time spent up to now is 129.2 secs Computing kpt #: 118 total cpu time spent up to now is 130.1 secs Computing kpt #: 119 total cpu time spent up to now is 131.0 secs Computing kpt #: 120 total cpu time spent up to now is 131.8 secs Computing kpt #: 121 total cpu time spent up to now is 132.7 secs Computing kpt #: 122 total cpu time spent up to now is 133.6 secs Computing kpt #: 123 total cpu time spent up to now is 134.5 secs Computing kpt #: 124 total cpu time spent up to now is 135.5 secs Computing kpt #: 125 total cpu time spent up to now is 136.5 secs Computing kpt #: 126 total cpu time spent up to now is 137.5 secs Computing kpt #: 127 total cpu time spent up to now is 138.6 secs Computing kpt #: 128 total cpu time spent up to now is 139.7 secs Computing kpt #: 129 total cpu time spent up to now is 140.7 secs Computing kpt #: 130 total cpu time spent up to now is 141.8 secs Computing kpt #: 131 total cpu time spent up to now is 142.9 secs Computing kpt #: 132 total cpu time spent up to now is 144.0 secs Computing kpt #: 133 total cpu time spent up to now is 145.1 secs Computing kpt #: 134 total cpu time spent up to now is 146.2 secs Computing kpt #: 135 total cpu time spent up to now is 147.3 secs Computing kpt #: 136 total cpu time spent up to now is 148.4 secs Computing kpt #: 137 total cpu time spent up to now is 149.5 secs Computing kpt #: 138 total cpu time spent up to now is 150.6 secs Computing kpt #: 139 total cpu time spent up to now is 151.7 secs Computing kpt #: 140 total cpu time spent up to now is 152.7 secs Computing kpt #: 141 total cpu time spent up to now is 153.8 secs Computing kpt #: 142 total cpu time spent up to now is 154.8 secs Computing kpt #: 143 total cpu time spent up to now is 155.8 secs Computing kpt #: 144 total cpu time spent up to now is 156.7 secs Computing kpt #: 145 total cpu time spent up to now is 157.8 secs Computing kpt #: 146 total cpu time spent up to now is 158.7 secs Computing kpt #: 147 total cpu time spent up to now is 159.7 secs Computing kpt #: 148 total cpu time spent up to now is 160.7 secs Computing kpt #: 149 total cpu time spent up to now is 161.6 secs Computing kpt #: 150 total cpu time spent up to now is 162.6 secs Computing kpt #: 151 total cpu time spent up to now is 163.6 secs Computing kpt #: 152 total cpu time spent up to now is 164.5 secs Computing kpt #: 153 total cpu time spent up to now is 165.4 secs Computing kpt #: 154 total cpu time spent up to now is 166.3 secs Computing kpt #: 155 total cpu time spent up to now is 167.2 secs Computing kpt #: 156 total cpu time spent up to now is 168.2 secs Computing kpt #: 157 total cpu time spent up to now is 169.1 secs Computing kpt #: 158 total cpu time spent up to now is 170.0 secs Computing kpt #: 159 total cpu time spent up to now is 171.0 secs Computing kpt #: 160 total cpu time spent up to now is 172.1 secs Computing kpt #: 161 total cpu time spent up to now is 173.1 secs Computing kpt #: 162 total cpu time spent up to now is 174.2 secs Computing kpt #: 163 total cpu time spent up to now is 175.2 secs Computing kpt #: 164 total cpu time spent up to now is 176.2 secs Computing kpt #: 165 total cpu time spent up to now is 177.3 secs Computing kpt #: 166 total cpu time spent up to now is 178.2 secs Computing kpt #: 167 total cpu time spent up to now is 179.2 secs Computing kpt #: 168 total cpu time spent up to now is 180.1 secs Computing kpt #: 169 total cpu time spent up to now is 181.0 secs Computing kpt #: 170 total cpu time spent up to now is 181.8 secs Computing kpt #: 171 total cpu time spent up to now is 182.7 secs Computing kpt #: 172 total cpu time spent up to now is 183.5 secs Computing kpt #: 173 total cpu time spent up to now is 184.4 secs Computing kpt #: 174 total cpu time spent up to now is 185.3 secs Computing kpt #: 175 total cpu time spent up to now is 186.1 secs Computing kpt #: 176 total cpu time spent up to now is 187.0 secs Computing kpt #: 177 total cpu time spent up to now is 187.8 secs Computing kpt #: 178 total cpu time spent up to now is 188.7 secs Computing kpt #: 179 total cpu time spent up to now is 189.5 secs Computing kpt #: 180 total cpu time spent up to now is 190.4 secs Computing kpt #: 181 total cpu time spent up to now is 191.2 secs Computing kpt #: 182 total cpu time spent up to now is 192.0 secs Computing kpt #: 183 total cpu time spent up to now is 192.9 secs Computing kpt #: 184 total cpu time spent up to now is 193.8 secs Computing kpt #: 185 total cpu time spent up to now is 194.6 secs Computing kpt #: 186 total cpu time spent up to now is 195.5 secs Computing kpt #: 187 total cpu time spent up to now is 196.4 secs Computing kpt #: 188 total cpu time spent up to now is 197.2 secs Computing kpt #: 189 total cpu time spent up to now is 198.1 secs Computing kpt #: 190 total cpu time spent up to now is 199.0 secs Computing kpt #: 191 total cpu time spent up to now is 199.9 secs Computing kpt #: 192 total cpu time spent up to now is 200.9 secs Computing kpt #: 193 total cpu time spent up to now is 201.8 secs Computing kpt #: 194 total cpu time spent up to now is 202.8 secs Computing kpt #: 195 total cpu time spent up to now is 203.8 secs Computing kpt #: 196 total cpu time spent up to now is 204.8 secs Computing kpt #: 197 total cpu time spent up to now is 205.8 secs Computing kpt #: 198 total cpu time spent up to now is 206.9 secs Computing kpt #: 199 total cpu time spent up to now is 207.9 secs Computing kpt #: 200 total cpu time spent up to now is 208.9 secs Computing kpt #: 201 total cpu time spent up to now is 209.9 secs Computing kpt #: 202 total cpu time spent up to now is 210.9 secs Computing kpt #: 203 total cpu time spent up to now is 211.8 secs Computing kpt #: 204 total cpu time spent up to now is 212.7 secs Computing kpt #: 205 total cpu time spent up to now is 213.6 secs Computing kpt #: 206 total cpu time spent up to now is 214.5 secs Computing kpt #: 207 total cpu time spent up to now is 215.5 secs Computing kpt #: 208 total cpu time spent up to now is 216.4 secs Computing kpt #: 209 total cpu time spent up to now is 217.3 secs Computing kpt #: 210 total cpu time spent up to now is 218.2 secs Computing kpt #: 211 total cpu time spent up to now is 219.1 secs Computing kpt #: 212 total cpu time spent up to now is 220.0 secs Computing kpt #: 213 total cpu time spent up to now is 220.9 secs Computing kpt #: 214 total cpu time spent up to now is 221.9 secs Computing kpt #: 215 total cpu time spent up to now is 222.8 secs Computing kpt #: 216 total cpu time spent up to now is 223.7 secs Computing kpt #: 217 total cpu time spent up to now is 224.6 secs Computing kpt #: 218 total cpu time spent up to now is 225.6 secs Computing kpt #: 219 total cpu time spent up to now is 226.5 secs Computing kpt #: 220 total cpu time spent up to now is 227.4 secs Computing kpt #: 221 total cpu time spent up to now is 228.4 secs Computing kpt #: 222 total cpu time spent up to now is 229.4 secs Computing kpt #: 223 total cpu time spent up to now is 230.3 secs Computing kpt #: 224 total cpu time spent up to now is 231.2 secs Computing kpt #: 225 total cpu time spent up to now is 232.3 secs Computing kpt #: 226 total cpu time spent up to now is 233.3 secs Computing kpt #: 227 total cpu time spent up to now is 234.3 secs Computing kpt #: 228 total cpu time spent up to now is 235.4 secs Computing kpt #: 229 total cpu time spent up to now is 236.4 secs Computing kpt #: 230 total cpu time spent up to now is 237.4 secs Computing kpt #: 231 total cpu time spent up to now is 238.5 secs Computing kpt #: 232 total cpu time spent up to now is 239.5 secs Computing kpt #: 233 total cpu time spent up to now is 240.6 secs Computing kpt #: 234 total cpu time spent up to now is 241.7 secs Computing kpt #: 235 total cpu time spent up to now is 242.7 secs Computing kpt #: 236 total cpu time spent up to now is 243.8 secs Computing kpt #: 237 total cpu time spent up to now is 244.8 secs Computing kpt #: 238 total cpu time spent up to now is 245.8 secs Computing kpt #: 239 total cpu time spent up to now is 246.9 secs Computing kpt #: 240 total cpu time spent up to now is 248.0 secs Computing kpt #: 241 total cpu time spent up to now is 249.1 secs Computing kpt #: 242 total cpu time spent up to now is 250.2 secs Computing kpt #: 243 total cpu time spent up to now is 251.3 secs Computing kpt #: 244 total cpu time spent up to now is 252.5 secs Computing kpt #: 245 total cpu time spent up to now is 253.7 secs Computing kpt #: 246 total cpu time spent up to now is 255.0 secs Computing kpt #: 247 total cpu time spent up to now is 256.4 secs Computing kpt #: 248 total cpu time spent up to now is 258.2 secs Computing kpt #: 249 total cpu time spent up to now is 259.4 secs Computing kpt #: 250 total cpu time spent up to now is 260.7 secs Computing kpt #: 251 total cpu time spent up to now is 261.9 secs Computing kpt #: 252 total cpu time spent up to now is 263.1 secs Computing kpt #: 253 total cpu time spent up to now is 264.5 secs Computing kpt #: 254 total cpu time spent up to now is 265.6 secs Computing kpt #: 255 total cpu time spent up to now is 266.7 secs Computing kpt #: 256 total cpu time spent up to now is 267.9 secs Computing kpt #: 257 total cpu time spent up to now is 269.0 secs Computing kpt #: 258 total cpu time spent up to now is 270.1 secs Computing kpt #: 259 total cpu time spent up to now is 271.3 secs Computing kpt #: 260 total cpu time spent up to now is 272.5 secs Computing kpt #: 261 total cpu time spent up to now is 273.8 secs Computing kpt #: 262 total cpu time spent up to now is 275.4 secs Computing kpt #: 263 total cpu time spent up to now is 277.3 secs Computing kpt #: 264 total cpu time spent up to now is 279.6 secs Computing kpt #: 265 total cpu time spent up to now is 280.7 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.4 secs Computing kpt #: 267 total cpu time spent up to now is 284.8 secs Computing kpt #: 268 total cpu time spent up to now is 286.0 secs Computing kpt #: 269 total cpu time spent up to now is 287.2 secs Computing kpt #: 270 total cpu time spent up to now is 288.6 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 291.1 secs Computing kpt #: 272 total cpu time spent up to now is 292.4 secs Computing kpt #: 273 total cpu time spent up to now is 293.6 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.1 secs Computing kpt #: 275 total cpu time spent up to now is 297.5 secs Computing kpt #: 276 total cpu time spent up to now is 298.7 secs Computing kpt #: 277 total cpu time spent up to now is 300.1 secs Computing kpt #: 278 total cpu time spent up to now is 301.3 secs Computing kpt #: 279 total cpu time spent up to now is 302.6 secs Computing kpt #: 280 total cpu time spent up to now is 303.7 secs Computing kpt #: 281 total cpu time spent up to now is 305.0 secs Computing kpt #: 282 total cpu time spent up to now is 306.2 secs Computing kpt #: 283 total cpu time spent up to now is 307.4 secs Computing kpt #: 284 total cpu time spent up to now is 308.7 secs Computing kpt #: 285 total cpu time spent up to now is 309.9 secs Computing kpt #: 286 total cpu time spent up to now is 311.1 secs Computing kpt #: 287 total cpu time spent up to now is 312.2 secs Computing kpt #: 288 total cpu time spent up to now is 313.5 secs Computing kpt #: 289 total cpu time spent up to now is 314.7 secs Computing kpt #: 290 total cpu time spent up to now is 315.9 secs Computing kpt #: 291 total cpu time spent up to now is 317.1 secs Computing kpt #: 292 total cpu time spent up to now is 318.3 secs Computing kpt #: 293 total cpu time spent up to now is 319.5 secs Computing kpt #: 294 total cpu time spent up to now is 320.6 secs Computing kpt #: 295 total cpu time spent up to now is 321.8 secs Computing kpt #: 296 total cpu time spent up to now is 323.0 secs Computing kpt #: 297 total cpu time spent up to now is 324.2 secs Computing kpt #: 298 total cpu time spent up to now is 325.4 secs Computing kpt #: 299 total cpu time spent up to now is 326.5 secs Computing kpt #: 300 total cpu time spent up to now is 327.7 secs Computing kpt #: 301 total cpu time spent up to now is 328.9 secs Computing kpt #: 302 total cpu time spent up to now is 330.0 secs Computing kpt #: 303 total cpu time spent up to now is 331.2 secs Computing kpt #: 304 total cpu time spent up to now is 332.3 secs Computing kpt #: 305 total cpu time spent up to now is 333.5 secs Computing kpt #: 306 total cpu time spent up to now is 334.7 secs Computing kpt #: 307 total cpu time spent up to now is 335.9 secs Computing kpt #: 308 total cpu time spent up to now is 337.1 secs Computing kpt #: 309 total cpu time spent up to now is 338.3 secs Computing kpt #: 310 total cpu time spent up to now is 339.5 secs Computing kpt #: 311 total cpu time spent up to now is 340.7 secs Computing kpt #: 312 total cpu time spent up to now is 341.9 secs Computing kpt #: 313 total cpu time spent up to now is 343.2 secs Computing kpt #: 314 total cpu time spent up to now is 344.4 secs Computing kpt #: 315 total cpu time spent up to now is 345.6 secs Computing kpt #: 316 total cpu time spent up to now is 346.9 secs Computing kpt #: 317 total cpu time spent up to now is 348.1 secs Computing kpt #: 318 total cpu time spent up to now is 349.3 secs Computing kpt #: 319 total cpu time spent up to now is 350.6 secs Computing kpt #: 320 total cpu time spent up to now is 351.8 secs Computing kpt #: 321 total cpu time spent up to now is 353.1 secs Computing kpt #: 322 total cpu time spent up to now is 354.3 secs Computing kpt #: 323 total cpu time spent up to now is 355.6 secs Computing kpt #: 324 total cpu time spent up to now is 356.7 secs Computing kpt #: 325 total cpu time spent up to now is 357.7 secs Computing kpt #: 326 total cpu time spent up to now is 358.6 secs Computing kpt #: 327 total cpu time spent up to now is 359.5 secs Computing kpt #: 328 total cpu time spent up to now is 360.4 secs Computing kpt #: 329 total cpu time spent up to now is 361.3 secs Computing kpt #: 330 total cpu time spent up to now is 362.2 secs Computing kpt #: 331 total cpu time spent up to now is 363.2 secs Computing kpt #: 332 total cpu time spent up to now is 364.1 secs Computing kpt #: 333 total cpu time spent up to now is 365.0 secs Computing kpt #: 334 total cpu time spent up to now is 365.9 secs Computing kpt #: 335 total cpu time spent up to now is 366.8 secs Computing kpt #: 336 total cpu time spent up to now is 367.8 secs Computing kpt #: 337 total cpu time spent up to now is 368.7 secs Computing kpt #: 338 total cpu time spent up to now is 369.6 secs Computing kpt #: 339 total cpu time spent up to now is 370.6 secs Computing kpt #: 340 total cpu time spent up to now is 371.5 secs Computing kpt #: 341 total cpu time spent up to now is 372.5 secs Computing kpt #: 342 total cpu time spent up to now is 373.4 secs Computing kpt #: 343 total cpu time spent up to now is 374.4 secs Computing kpt #: 344 total cpu time spent up to now is 375.5 secs Computing kpt #: 345 total cpu time spent up to now is 376.5 secs Computing kpt #: 346 total cpu time spent up to now is 377.4 secs Computing kpt #: 347 total cpu time spent up to now is 378.4 secs Computing kpt #: 348 total cpu time spent up to now is 379.3 secs Computing kpt #: 349 total cpu time spent up to now is 380.3 secs Computing kpt #: 350 total cpu time spent up to now is 381.2 secs Computing kpt #: 351 total cpu time spent up to now is 382.2 secs Computing kpt #: 352 total cpu time spent up to now is 383.1 secs Computing kpt #: 353 total cpu time spent up to now is 384.0 secs Computing kpt #: 354 total cpu time spent up to now is 385.0 secs Computing kpt #: 355 total cpu time spent up to now is 385.9 secs Computing kpt #: 356 total cpu time spent up to now is 386.8 secs Computing kpt #: 357 total cpu time spent up to now is 387.8 secs Computing kpt #: 358 total cpu time spent up to now is 388.7 secs Computing kpt #: 359 total cpu time spent up to now is 389.6 secs Computing kpt #: 360 total cpu time spent up to now is 390.5 secs Computing kpt #: 361 total cpu time spent up to now is 391.5 secs Computing kpt #: 362 total cpu time spent up to now is 392.4 secs Computing kpt #: 363 total cpu time spent up to now is 393.3 secs Computing kpt #: 364 total cpu time spent up to now is 394.3 secs Computing kpt #: 365 total cpu time spent up to now is 395.2 secs Computing kpt #: 366 total cpu time spent up to now is 396.1 secs Computing kpt #: 367 total cpu time spent up to now is 397.1 secs Computing kpt #: 368 total cpu time spent up to now is 398.0 secs Computing kpt #: 369 total cpu time spent up to now is 398.9 secs Computing kpt #: 370 total cpu time spent up to now is 399.8 secs Computing kpt #: 371 total cpu time spent up to now is 400.7 secs Computing kpt #: 372 total cpu time spent up to now is 401.6 secs Computing kpt #: 373 total cpu time spent up to now is 402.5 secs Computing kpt #: 374 total cpu time spent up to now is 403.4 secs Computing kpt #: 375 total cpu time spent up to now is 404.4 secs Computing kpt #: 376 total cpu time spent up to now is 405.3 secs Computing kpt #: 377 total cpu time spent up to now is 406.2 secs Computing kpt #: 378 total cpu time spent up to now is 407.1 secs Computing kpt #: 379 total cpu time spent up to now is 408.1 secs Computing kpt #: 380 total cpu time spent up to now is 409.0 secs Computing kpt #: 381 total cpu time spent up to now is 409.9 secs Computing kpt #: 382 total cpu time spent up to now is 410.8 secs Computing kpt #: 383 total cpu time spent up to now is 411.7 secs Computing kpt #: 384 total cpu time spent up to now is 412.6 secs Computing kpt #: 385 total cpu time spent up to now is 413.6 secs Computing kpt #: 386 total cpu time spent up to now is 414.5 secs Computing kpt #: 387 total cpu time spent up to now is 415.4 secs Computing kpt #: 388 total cpu time spent up to now is 416.3 secs Computing kpt #: 389 total cpu time spent up to now is 417.2 secs Computing kpt #: 390 total cpu time spent up to now is 418.1 secs Computing kpt #: 391 total cpu time spent up to now is 419.0 secs Computing kpt #: 392 total cpu time spent up to now is 420.0 secs Computing kpt #: 393 total cpu time spent up to now is 420.9 secs Computing kpt #: 394 total cpu time spent up to now is 421.8 secs Computing kpt #: 395 total cpu time spent up to now is 422.7 secs Computing kpt #: 396 total cpu time spent up to now is 423.6 secs Computing kpt #: 397 total cpu time spent up to now is 424.5 secs Computing kpt #: 398 total cpu time spent up to now is 425.4 secs Computing kpt #: 399 total cpu time spent up to now is 426.3 secs Computing kpt #: 400 total cpu time spent up to now is 427.3 secs Computing kpt #: 401 total cpu time spent up to now is 429.8 secs Computing kpt #: 402 total cpu time spent up to now is 430.7 secs Computing kpt #: 403 total cpu time spent up to now is 431.6 secs Computing kpt #: 404 total cpu time spent up to now is 432.6 secs Computing kpt #: 405 total cpu time spent up to now is 433.5 secs Computing kpt #: 406 total cpu time spent up to now is 434.4 secs Computing kpt #: 407 total cpu time spent up to now is 435.3 secs Computing kpt #: 408 total cpu time spent up to now is 436.2 secs Computing kpt #: 409 total cpu time spent up to now is 437.1 secs Computing kpt #: 410 total cpu time spent up to now is 438.0 secs Computing kpt #: 411 total cpu time spent up to now is 438.9 secs Computing kpt #: 412 total cpu time spent up to now is 439.8 secs Computing kpt #: 413 total cpu time spent up to now is 440.7 secs Computing kpt #: 414 total cpu time spent up to now is 441.7 secs Computing kpt #: 415 total cpu time spent up to now is 442.6 secs Computing kpt #: 416 total cpu time spent up to now is 443.6 secs Computing kpt #: 417 total cpu time spent up to now is 445.4 secs Computing kpt #: 418 total cpu time spent up to now is 447.1 secs Computing kpt #: 419 total cpu time spent up to now is 448.2 secs Computing kpt #: 420 total cpu time spent up to now is 449.3 secs Computing kpt #: 421 total cpu time spent up to now is 450.4 secs Computing kpt #: 422 total cpu time spent up to now is 451.8 secs Computing kpt #: 423 total cpu time spent up to now is 453.0 secs Computing kpt #: 424 total cpu time spent up to now is 454.2 secs Computing kpt #: 425 total cpu time spent up to now is 455.6 secs Computing kpt #: 426 total cpu time spent up to now is 456.8 secs Computing kpt #: 427 total cpu time spent up to now is 458.0 secs Computing kpt #: 428 total cpu time spent up to now is 459.2 secs Computing kpt #: 429 total cpu time spent up to now is 460.4 secs Computing kpt #: 430 total cpu time spent up to now is 461.6 secs Computing kpt #: 431 total cpu time spent up to now is 462.8 secs Computing kpt #: 432 total cpu time spent up to now is 464.0 secs Computing kpt #: 433 total cpu time spent up to now is 465.2 secs Computing kpt #: 434 total cpu time spent up to now is 466.3 secs Computing kpt #: 435 total cpu time spent up to now is 467.4 secs Computing kpt #: 436 total cpu time spent up to now is 468.4 secs Computing kpt #: 437 total cpu time spent up to now is 469.4 secs Computing kpt #: 438 total cpu time spent up to now is 470.5 secs Computing kpt #: 439 total cpu time spent up to now is 471.5 secs Computing kpt #: 440 total cpu time spent up to now is 472.5 secs Computing kpt #: 441 total cpu time spent up to now is 473.6 secs Computing kpt #: 442 total cpu time spent up to now is 474.8 secs Computing kpt #: 443 total cpu time spent up to now is 476.0 secs Computing kpt #: 444 total cpu time spent up to now is 477.1 secs Computing kpt #: 445 total cpu time spent up to now is 478.3 secs Computing kpt #: 446 total cpu time spent up to now is 479.5 secs Computing kpt #: 447 total cpu time spent up to now is 480.7 secs Computing kpt #: 448 total cpu time spent up to now is 481.9 secs Computing kpt #: 449 total cpu time spent up to now is 483.1 secs Computing kpt #: 450 total cpu time spent up to now is 484.3 secs Computing kpt #: 451 total cpu time spent up to now is 485.5 secs Computing kpt #: 452 total cpu time spent up to now is 486.7 secs ethr = 1.56E-08, avg # of iterations = 26.8 total cpu time spent up to now is 486.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4205 PWs) bands (ev): -13.9855 -13.9855 -13.6255 -13.6255 -12.8438 -12.8438 -12.4392 -12.4392 -10.8264 -10.8264 -10.6331 -10.6331 -9.9391 -9.9391 -9.8490 -9.8490 -2.4345 -2.4345 -2.1084 -2.1084 -0.2070 -0.2070 0.5958 0.5958 0.8919 0.8919 1.7115 1.7115 2.0277 2.0277 2.3585 2.3585 3.5504 3.5504 3.6056 3.6056 3.7119 3.7119 3.8773 3.8773 3.9183 3.9183 4.1933 4.1933 4.5373 4.5373 4.5758 4.5758 5.0595 5.0595 5.2510 5.2510 5.3923 5.3923 5.8224 5.8224 5.8989 5.8989 6.0460 6.0460 6.3105 6.3105 6.5665 6.5665 12.6143 12.6143 15.1024 15.1024 15.3378 15.3378 15.5674 15.5674 15.8000 15.8000 17.1270 17.1270 k = 0.0089-0.0000-0.0000 ( 4217 PWs) bands (ev): -13.9848 -13.9848 -13.6250 -13.6250 -12.8435 -12.8435 -12.4391 -12.4391 -10.8260 -10.8260 -10.6327 -10.6327 -9.9389 -9.9389 -9.8488 -9.8488 -2.4339 -2.4339 -2.1078 -2.1078 -0.2064 -0.2064 0.5959 0.5959 0.8914 0.8914 1.7121 1.7121 2.0284 2.0284 2.3585 2.3585 3.5480 3.5480 3.6037 3.6037 3.6984 3.6984 3.8885 3.8885 3.9186 3.9186 4.1888 4.1888 4.5362 4.5362 4.5797 4.5797 5.0576 5.0576 5.2480 5.2480 5.3910 5.3910 5.8204 5.8204 5.8953 5.8953 6.0457 6.0457 6.3103 6.3103 6.5661 6.5661 12.6181 12.6181 15.1050 15.1050 15.3397 15.3397 15.5712 15.5712 15.8039 15.8039 17.1301 17.1301 k = 0.0179-0.0000-0.0000 ( 4211 PWs) bands (ev): -13.9829 -13.9829 -13.6234 -13.6234 -12.8424 -12.8424 -12.4387 -12.4387 -10.8248 -10.8248 -10.6315 -10.6315 -9.9383 -9.9383 -9.8482 -9.8482 -2.4321 -2.4321 -2.1062 -2.1062 -0.2047 -0.2047 0.5962 0.5962 0.8900 0.8900 1.7137 1.7137 2.0304 2.0304 2.3584 2.3584 3.5409 3.5409 3.5980 3.5980 3.6651 3.6651 3.9140 3.9140 3.9209 3.9209 4.1760 4.1760 4.5329 4.5329 4.5907 4.5907 5.0519 5.0519 5.2390 5.2390 5.3873 5.3873 5.8145 5.8145 5.8848 5.8848 6.0449 6.0449 6.3097 6.3097 6.5650 6.5650 12.6294 12.6294 15.1128 15.1128 15.3455 15.3455 15.5825 15.5825 15.8157 15.8157 17.1393 17.1393 k = 0.0268-0.0000-0.0000 ( 4221 PWs) bands (ev): -13.9798 -13.9798 -13.6209 -13.6209 -12.8407 -12.8407 -12.4380 -12.4380 -10.8229 -10.8229 -10.6295 -10.6295 -9.9373 -9.9373 -9.8472 -9.8472 -2.4292 -2.4292 -2.1036 -2.1036 -0.2019 -0.2019 0.5967 0.5967 0.8876 0.8876 1.7164 1.7164 2.0338 2.0338 2.3583 2.3583 3.5290 3.5290 3.5880 3.5880 3.6218 3.6218 3.9205 3.9205 3.9486 3.9486 4.1566 4.1566 4.5274 4.5274 4.6072 4.6072 5.0426 5.0426 5.2242 5.2242 5.3813 5.3813 5.8047 5.8047 5.8673 5.8673 6.0436 6.0436 6.3088 6.3088 6.5631 6.5631 12.6482 12.6482 15.1256 15.1256 15.3551 15.3551 15.6013 15.6013 15.8354 15.8354 17.1546 17.1546 k = 0.0357-0.0000-0.0000 ( 4225 PWs) bands (ev): -13.9754 -13.9754 -13.6173 -13.6173 -12.8383 -12.8383 -12.4371 -12.4371 -10.8201 -10.8201 -10.6267 -10.6267 -9.9358 -9.9358 -9.8458 -9.8458 -2.4251 -2.4251 -2.0998 -2.0998 -0.1980 -0.1980 0.5973 0.5973 0.8843 0.8843 1.7201 1.7201 2.0385 2.0385 2.3581 2.3581 3.5127 3.5127 3.5700 3.5700 3.5767 3.5767 3.9226 3.9226 3.9825 3.9825 4.1329 4.1329 4.5196 4.5196 4.6273 4.6273 5.0296 5.0296 5.2038 5.2038 5.3731 5.3731 5.7911 5.7911 5.8431 5.8431 6.0416 6.0416 6.3074 6.3074 6.5604 6.5604 12.6743 12.6743 15.1434 15.1434 15.3683 15.3683 15.6273 15.6273 15.8629 15.8629 17.1757 17.1757 k = 0.0446-0.0000-0.0000 ( 4229 PWs) bands (ev): -13.9698 -13.9698 -13.6127 -13.6127 -12.8353 -12.8353 -12.4360 -12.4360 -10.8166 -10.8166 -10.6231 -10.6231 -9.9340 -9.9340 -9.8440 -9.8440 -2.4198 -2.4198 -2.0950 -2.0950 -0.1930 -0.1930 0.5982 0.5982 0.8799 0.8799 1.7249 1.7249 2.0445 2.0445 2.3577 2.3577 3.4921 3.4921 3.5194 3.5194 3.5557 3.5557 3.9252 3.9252 4.0161 4.0161 4.1068 4.1068 4.5094 4.5094 4.6494 4.6494 5.0133 5.0133 5.1778 5.1778 5.3630 5.3630 5.7740 5.7740 5.8124 5.8124 6.0389 6.0389 6.3057 6.3057 6.5569 6.5569 12.7074 12.7074 15.1661 15.1661 15.3852 15.3852 15.6603 15.6603 15.8980 15.8980 17.2025 17.2025 k = 0.0536-0.0000-0.0000 ( 4233 PWs) bands (ev): -13.9629 -13.9629 -13.6070 -13.6070 -12.8315 -12.8315 -12.4345 -12.4345 -10.8123 -10.8123 -10.6188 -10.6188 -9.9317 -9.9317 -9.8418 -9.8418 -2.4134 -2.4134 -2.0891 -2.0891 -0.1870 -0.1870 0.5991 0.5991 0.8745 0.8745 1.7307 1.7307 2.0519 2.0519 2.3571 2.3571 3.4641 3.4641 3.4674 3.4674 3.5316 3.5316 3.9281 3.9281 4.0484 4.0484 4.0800 4.0800 4.4966 4.4966 4.6720 4.6720 4.9937 4.9937 5.1466 5.1466 5.3514 5.3514 5.7534 5.7534 5.7755 5.7755 6.0354 6.0354 6.3035 6.3035 6.5526 6.5526 12.7474 12.7474 15.1934 15.1934 15.4054 15.4054 15.7000 15.7000 15.9408 15.9408 17.2345 17.2345 k = 0.0625-0.0000-0.0000 ( 4231 PWs) bands (ev): -13.9548 -13.9548 -13.6004 -13.6004 -12.8272 -12.8272 -12.4329 -12.4329 -10.8073 -10.8073 -10.6136 -10.6136 -9.9291 -9.9291 -9.8392 -9.8392 -2.4058 -2.4058 -2.0822 -2.0822 -0.1800 -0.1800 0.6002 0.6002 0.8681 0.8681 1.7375 1.7375 2.0605 2.0605 2.3563 2.3563 3.4067 3.4067 3.4389 3.4389 3.5023 3.5023 3.9313 3.9313 4.0537 4.0537 4.0790 4.0790 4.4811 4.4811 4.6941 4.6941 4.9713 4.9713 5.1105 5.1105 5.3387 5.3387 5.7291 5.7291 5.7334 5.7334 6.0311 6.0311 6.3010 6.3010 6.5474 6.5474 12.7939 12.7939 15.2253 15.2253 15.4288 15.4288 15.7461 15.7461 15.9911 15.9911 17.2715 17.2715 k = 0.0714-0.0000-0.0000 ( 4231 PWs) bands (ev): -13.9455 -13.9455 -13.5928 -13.5928 -12.8222 -12.8222 -12.4310 -12.4310 -10.8014 -10.8014 -10.6077 -10.6077 -9.9261 -9.9261 -9.8363 -9.8363 -2.3971 -2.3971 -2.0742 -2.0742 -0.1719 -0.1719 0.6015 0.6015 0.8605 0.8605 1.7452 1.7452 2.0705 2.0705 2.3551 2.3551 3.3476 3.3476 3.4069 3.4069 3.4673 3.4673 3.9349 3.9349 4.0287 4.0287 4.1076 4.1076 4.4627 4.4627 4.7146 4.7146 4.9462 4.9462 5.0698 5.0698 5.3255 5.3255 5.6845 5.6845 5.7034 5.7034 6.0258 6.0258 6.2980 6.2980 6.5414 6.5414 12.8466 12.8466 15.2613 15.2613 15.4552 15.4552 15.7982 15.7982 16.0486 16.0486 17.3129 17.3129 k = 0.0804-0.0000-0.0000 ( 4223 PWs) bands (ev): -13.9350 -13.9350 -13.5842 -13.5842 -12.8166 -12.8166 -12.4290 -12.4290 -10.7948 -10.7948 -10.6011 -10.6011 -9.9228 -9.9228 -9.8331 -9.8331 -2.3872 -2.3872 -2.0652 -2.0652 -0.1630 -0.1630 0.6027 0.6027 0.8518 0.8518 1.7539 1.7539 2.0817 2.0817 2.3534 2.3534 3.2872 3.2872 3.3717 3.3717 3.4268 3.4268 3.9388 3.9388 4.0057 4.0057 4.1341 4.1341 4.4411 4.4411 4.7330 4.7330 4.9187 4.9187 5.0247 5.0247 5.3125 5.3125 5.6316 5.6316 5.6742 5.6742 6.0195 6.0195 6.2945 6.2945 6.5345 6.5345 12.9051 12.9051 15.3013 15.3013 15.4842 15.4842 15.8560 15.8560 16.1132 16.1132 17.3580 17.3580 k = 0.0893-0.0000-0.0000 ( 4219 PWs) bands (ev): -13.9232 -13.9232 -13.5746 -13.5746 -12.8104 -12.8104 -12.4267 -12.4267 -10.7875 -10.7875 -10.5937 -10.5937 -9.9191 -9.9191 -9.8295 -9.8295 -2.3763 -2.3763 -2.0552 -2.0552 -0.1533 -0.1533 0.6040 0.6040 0.8418 0.8418 1.7634 1.7634 2.0942 2.0942 2.3510 2.3510 3.2259 3.2259 3.3336 3.3336 3.3809 3.3809 3.9429 3.9429 3.9847 3.9847 4.1583 4.1583 4.4162 4.4162 4.7484 4.7484 4.8893 4.8893 4.9758 4.9758 5.3003 5.3003 5.5742 5.5742 5.6428 5.6428 6.0121 6.0121 6.2907 6.2907 6.5266 6.5266 12.9691 12.9691 15.3449 15.3449 15.5156 15.5156 15.9191 15.9191 16.1845 16.1845 17.4062 17.4062 k = 0.0982-0.0000-0.0000 ( 4219 PWs) bands (ev): -13.9103 -13.9103 -13.5641 -13.5641 -12.8036 -12.8036 -12.4243 -12.4243 -10.7794 -10.7794 -10.5856 -10.5856 -9.9152 -9.9152 -9.8256 -9.8256 -2.3643 -2.3643 -2.0442 -2.0442 -0.1428 -0.1428 0.6054 0.6054 0.8306 0.8306 1.7738 1.7738 2.1080 2.1080 2.3478 2.3478 3.1640 3.1640 3.2929 3.2929 3.3302 3.3302 3.9468 3.9468 3.9660 3.9660 4.1801 4.1801 4.3875 4.3875 4.7603 4.7603 4.8582 4.8582 4.9232 4.9232 5.2897 5.2897 5.5129 5.5129 5.6096 5.6096 6.0035 6.0035 6.2863 6.2863 6.5179 6.5179 13.0382 13.0382 15.3919 15.3919 15.5492 15.5492 15.9871 15.9871 16.2621 16.2621 17.4564 17.4564 k = 0.1071-0.0000-0.0000 ( 4223 PWs) bands (ev): -13.8963 -13.8963 -13.5527 -13.5527 -12.7964 -12.7964 -12.4218 -12.4218 -10.7705 -10.7705 -10.5767 -10.5767 -9.9109 -9.9109 -9.8215 -9.8215 -2.3512 -2.3512 -2.0321 -2.0321 -0.1316 -0.1316 0.6067 0.6067 0.8179 0.8179 1.7848 1.7848 2.1229 2.1229 2.3436 2.3436 3.1020 3.1020 3.2499 3.2499 3.2753 3.2753 3.9445 3.9445 3.9553 3.9553 4.1995 4.1995 4.3550 4.3550 4.7681 4.7681 4.8257 4.8257 4.8674 4.8674 5.2816 5.2816 5.4483 5.4483 5.5750 5.5750 5.9937 5.9937 6.2815 6.2815 6.5081 6.5081 13.1121 13.1121 15.4419 15.4419 15.5846 15.5846 16.0597 16.0597 16.3456 16.3456 17.5077 17.5077 k = 0.1161-0.0000-0.0000 ( 4211 PWs) bands (ev): -13.8811 -13.8811 -13.5403 -13.5403 -12.7886 -12.7886 -12.4191 -12.4191 -10.7609 -10.7609 -10.5672 -10.5672 -9.9063 -9.9063 -9.8171 -9.8171 -2.3370 -2.3370 -2.0191 -2.0191 -0.1198 -0.1198 0.6079 0.6079 0.8038 0.8038 1.7966 1.7966 2.1390 2.1390 2.3379 2.3379 3.0404 3.0404 3.2044 3.2044 3.2174 3.2174 3.9295 3.9295 3.9587 3.9587 4.2162 4.2162 4.3185 4.3185 4.7714 4.7714 4.7917 4.7917 4.8091 4.8091 5.2765 5.2765 5.3810 5.3810 5.5394 5.5394 5.9826 5.9826 6.2762 6.2762 6.4975 6.4975 13.1902 13.1902 15.4946 15.4946 15.6215 15.6215 16.1366 16.1366 16.4345 16.4345 17.5586 17.5586 k = 0.1250-0.0000-0.0000 ( 4205 PWs) bands (ev): -13.8648 -13.8648 -13.5270 -13.5270 -12.7804 -12.7804 -12.4163 -12.4163 -10.7506 -10.7506 -10.5570 -10.5570 -9.9015 -9.9015 -9.8125 -9.8125 -2.3218 -2.3218 -2.0052 -2.0052 -0.1077 -0.1077 0.6091 0.6091 0.7882 0.7882 1.8088 1.8088 2.1563 2.1563 2.3306 2.3306 2.9797 2.9797 3.1510 3.1510 3.1628 3.1628 3.9136 3.9136 3.9638 3.9638 4.2302 4.2302 4.2778 4.2778 4.7451 4.7451 4.7594 4.7594 4.7708 4.7708 5.2748 5.2748 5.3116 5.3116 5.5033 5.5033 5.9702 5.9702 6.2705 6.2705 6.4859 6.4859 13.2724 13.2724 15.5497 15.5497 15.6595 15.6595 16.2173 16.2173 16.5283 16.5283 17.6075 17.6075 k = 0.1339-0.0000-0.0000 ( 4201 PWs) bands (ev): -13.8474 -13.8474 -13.5129 -13.5129 -12.7717 -12.7717 -12.4135 -12.4135 -10.7395 -10.7395 -10.5461 -10.5461 -9.8965 -9.8965 -9.8077 -9.8077 -2.3056 -2.3056 -1.9903 -1.9903 -0.0952 -0.0952 0.6103 0.6103 0.7709 0.7709 1.8215 1.8215 2.1747 2.1747 2.3211 2.3211 2.9205 2.9205 3.0878 3.0878 3.1144 3.1144 3.8975 3.8975 3.9694 3.9694 4.2320 4.2320 4.2422 4.2422 4.6824 4.6824 4.7232 4.7232 4.7656 4.7656 5.2406 5.2406 5.2769 5.2769 5.4672 5.4672 5.9566 5.9566 6.2642 6.2642 6.4733 6.4733 13.3581 13.3581 15.6067 15.6067 15.6984 15.6984 16.3018 16.3018 16.6263 16.6263 17.6527 17.6527 k = 0.1429-0.0000-0.0000 ( 4197 PWs) bands (ev): -13.8289 -13.8289 -13.4979 -13.4979 -12.7627 -12.7627 -12.4106 -12.4106 -10.7277 -10.7277 -10.5345 -10.5345 -9.8913 -9.8913 -9.8027 -9.8027 -2.2884 -2.2884 -1.9744 -1.9744 -0.0825 -0.0825 0.6114 0.6114 0.7519 0.7519 1.8345 1.8345 2.1941 2.1941 2.3089 2.3089 2.8636 2.8636 3.0216 3.0216 3.0665 3.0665 3.8811 3.8811 3.9754 3.9754 4.1832 4.1832 4.2499 4.2499 4.6169 4.6169 4.6867 4.6867 4.7568 4.7568 5.1691 5.1691 5.2824 5.2824 5.4315 5.4315 5.9417 5.9417 6.2575 6.2575 6.4597 6.4597 13.4472 13.4472 15.6654 15.6654 15.7379 15.7379 16.3896 16.3896 16.7280 16.7280 17.6923 17.6923 k = 0.1518-0.0000-0.0000 ( 4197 PWs) bands (ev): -13.8094 -13.8094 -13.4821 -13.4821 -12.7533 -12.7533 -12.4078 -12.4078 -10.7153 -10.7153 -10.5224 -10.5224 -9.8859 -9.8859 -9.7976 -9.7976 -2.2703 -2.2703 -1.9577 -1.9577 -0.0700 -0.0700 0.6125 0.6125 0.7310 0.7310 1.8475 1.8475 2.2146 2.2146 2.2935 2.2935 2.8097 2.8097 2.9539 2.9539 3.0186 3.0186 3.8637 3.8637 3.9815 3.9815 4.1299 4.1299 4.2549 4.2549 4.5499 4.5499 4.6489 4.6489 4.7451 4.7451 5.0975 5.0975 5.2912 5.2912 5.3968 5.3968 5.9254 5.9254 6.2503 6.2503 6.4451 6.4451 13.5392 13.5392 15.7254 15.7254 15.7777 15.7777 16.4804 16.4804 16.8326 16.8326 17.7241 17.7241 k = 0.1607-0.0000-0.0000 ( 4201 PWs) bands (ev): -13.7889 -13.7889 -13.4655 -13.4655 -12.7437 -12.7437 -12.4049 -12.4049 -10.7021 -10.7021 -10.5096 -10.5096 -9.8804 -9.8804 -9.7924 -9.7924 -2.2513 -2.2513 -1.9401 -1.9401 -0.0576 -0.0576 0.6136 0.6136 0.7083 0.7083 1.8604 1.8604 2.2360 2.2360 2.2742 2.2742 2.7595 2.7595 2.8855 2.8855 2.9709 2.9709 3.8451 3.8451 3.9878 3.9878 4.0726 4.0726 4.2567 4.2567 4.4817 4.4817 4.6095 4.6095 4.7316 4.7316 5.0269 5.0269 5.3027 5.3027 5.3635 5.3635 5.9079 5.9079 6.2427 6.2427 6.4296 6.4296 13.6338 13.6338 15.7863 15.7863 15.8174 15.8174 16.5741 16.5741 16.9395 16.9395 17.7465 17.7465 k = 0.1696-0.0000-0.0000 ( 4206 PWs) bands (ev): -13.7673 -13.7673 -13.4482 -13.4482 -12.7337 -12.7337 -12.4021 -12.4021 -10.6883 -10.6883 -10.4963 -10.4963 -9.8748 -9.8748 -9.7872 -9.7872 -2.2313 -2.2313 -1.9217 -1.9217 -0.0458 -0.0458 0.6148 0.6148 0.6835 0.6835 1.8728 1.8728 2.2505 2.2505 2.2584 2.2584 2.7139 2.7139 2.8170 2.8170 2.9237 2.9237 3.8250 3.8250 3.9938 3.9938 4.0118 4.0118 4.2551 4.2551 4.4129 4.4129 4.5679 4.5679 4.7169 4.7169 4.9580 4.9580 5.3163 5.3163 5.3324 5.3324 5.8892 5.8892 6.2346 6.2346 6.4130 6.4130 13.7308 13.7308 15.8478 15.8478 15.8568 15.8568 16.6702 16.6702 17.0480 17.0480 17.7584 17.7584 k = 0.1786-0.0000-0.0000 ( 4208 PWs) bands (ev): -13.7448 -13.7448 -13.4301 -13.4301 -12.7236 -12.7236 -12.3994 -12.3994 -10.6737 -10.6737 -10.4824 -10.4824 -9.8691 -9.8691 -9.7819 -9.7819 -2.2106 -2.2106 -1.9024 -1.9024 -0.0348 -0.0348 0.6160 0.6160 0.6568 0.6568 1.8843 1.8843 2.2222 2.2222 2.2815 2.2815 2.6733 2.6733 2.7491 2.7491 2.8774 2.8774 3.8030 3.8030 3.9467 3.9467 4.0002 4.0002 4.2500 4.2500 4.3442 4.3442 4.5235 4.5235 4.7021 4.7021 4.8918 4.8918 5.3025 5.3025 5.3328 5.3328 5.8691 5.8691 6.2261 6.2261 6.3954 6.3954 13.8300 13.8300 15.8954 15.8954 15.9097 15.9097 16.7686 16.7686 17.1572 17.1572 17.7592 17.7592 k = 0.1875-0.0000-0.0000 ( 4208 PWs) bands (ev): -13.7214 -13.7214 -13.4113 -13.4113 -12.7133 -12.7133 -12.3968 -12.3968 -10.6586 -10.6586 -10.4680 -10.4680 -9.8634 -9.8634 -9.7767 -9.7767 -2.1889 -2.1889 -1.8822 -1.8822 -0.0248 -0.0248 0.6160 0.6160 0.6294 0.6294 1.8945 1.8945 2.1892 2.1892 2.3054 2.3054 2.6377 2.6377 2.6826 2.6826 2.8324 2.8324 3.7789 3.7789 3.8791 3.8791 4.0048 4.0048 4.2416 4.2416 4.2766 4.2766 4.4758 4.4758 4.6878 4.6878 4.8292 4.8292 5.2760 5.2760 5.3500 5.3500 5.8478 5.8478 6.2172 6.2172 6.3768 6.3768 13.9310 13.9310 15.9334 15.9334 15.9715 15.9715 16.8690 16.8690 17.2666 17.2666 17.7494 17.7494 k = 0.1964-0.0000-0.0000 ( 4208 PWs) bands (ev): -13.6971 -13.6971 -13.3919 -13.3919 -12.7029 -12.7029 -12.3944 -12.3944 -10.6428 -10.6428 -10.4532 -10.4532 -9.8576 -9.8576 -9.7715 -9.7715 -2.1665 -2.1665 -1.8613 -1.8613 -0.0162 -0.0162 0.5943 0.5943 0.6220 0.6220 1.9025 1.9025 2.1520 2.1520 2.3300 2.3300 2.6069 2.6069 2.6185 2.6185 2.7889 2.7889 3.7528 3.7528 3.8086 3.8086 4.0064 4.0064 4.2124 4.2124 4.2298 4.2298 4.4246 4.4246 4.6745 4.6745 4.7706 4.7706 5.2521 5.2521 5.3684 5.3684 5.8254 5.8254 6.2078 6.2078 6.3571 6.3571 14.0336 14.0336 15.9703 15.9703 16.0330 16.0330 16.9711 16.9711 17.3752 17.3752 17.7298 17.7298 k = 0.2054-0.0000-0.0000 ( 4208 PWs) bands (ev): -13.6720 -13.6720 -13.3718 -13.3718 -12.6924 -12.6924 -12.3922 -12.3922 -10.6263 -10.6263 -10.4378 -10.4378 -9.8520 -9.8520 -9.7664 -9.7664 -2.1434 -2.1434 -1.8397 -1.8397 -0.0094 -0.0094 0.5611 0.5611 0.6245 0.6245 1.9076 1.9076 2.1113 2.1113 2.3552 2.3552 2.5575 2.5575 2.5805 2.5805 2.7472 2.7472 3.7244 3.7244 3.7357 3.7357 4.0002 4.0002 4.1566 4.1566 4.2147 4.2147 4.3697 4.3697 4.6629 4.6629 4.7163 4.7163 5.2312 5.2312 5.3877 5.3877 5.8017 5.8017 6.1981 6.1981 6.3365 6.3365 14.1376 14.1376 16.0059 16.0059 16.0939 16.0939 17.0745 17.0745 17.4822 17.4822 17.7018 17.7018 k = 0.2143-0.0000-0.0000 ( 4222 PWs) bands (ev): -13.6460 -13.6460 -13.3511 -13.3511 -12.6820 -12.6820 -12.3903 -12.3903 -10.6093 -10.6093 -10.4220 -10.4220 -9.8463 -9.8463 -9.7615 -9.7615 -2.1195 -2.1195 -1.8173 -1.8173 -0.0046 -0.0046 0.5251 0.5251 0.6284 0.6284 1.9086 1.9086 2.0680 2.0680 2.3808 2.3808 2.5015 2.5015 2.5573 2.5573 2.7077 2.7077 3.6598 3.6598 3.6946 3.6946 3.9766 3.9766 4.1191 4.1191 4.1967 4.1967 4.3118 4.3118 4.6530 4.6530 4.6662 4.6662 5.2131 5.2131 5.4076 5.4076 5.7770 5.7770 6.1881 6.1881 6.3148 6.3148 14.2429 14.2429 16.0400 16.0400 16.1538 16.1538 17.1790 17.1790 17.5870 17.5870 17.6667 17.6667 k = 0.2232-0.0000-0.0000 ( 4220 PWs) bands (ev): -13.6193 -13.6193 -13.3298 -13.3298 -12.6716 -12.6716 -12.3886 -12.3886 -10.5916 -10.5916 -10.4058 -10.4058 -9.8408 -9.8408 -9.7567 -9.7567 -2.0949 -2.0949 -1.7942 -1.7942 -0.0022 -0.0022 0.4866 0.4866 0.6335 0.6335 1.9041 1.9041 2.0231 2.0231 2.4066 2.4066 2.4516 2.4516 2.5367 2.5367 2.6705 2.6705 3.5824 3.5824 3.6627 3.6627 3.9310 3.9310 4.1047 4.1047 4.1761 4.1761 4.2514 4.2514 4.6197 4.6197 4.6453 4.6453 5.1979 5.1979 5.4281 5.4281 5.7511 5.7511 6.1777 6.1777 6.2920 6.2920 14.3492 14.3492 16.0726 16.0726 16.2127 16.2127 17.2843 17.2843 17.6259 17.6259 17.6887 17.6887 k = 0.2321-0.0000-0.0000 ( 4226 PWs) bands (ev): -13.5918 -13.5918 -13.3080 -13.3080 -12.6613 -12.6613 -12.3873 -12.3873 -10.5734 -10.5734 -10.3892 -10.3892 -9.8354 -9.8354 -9.7522 -9.7522 -2.0697 -2.0697 -1.7704 -1.7704 -0.0025 -0.0025 0.4457 0.4457 0.6401 0.6401 1.8928 1.8928 1.9773 1.9773 2.4087 2.4087 2.4333 2.4333 2.5180 2.5180 2.6360 2.6360 3.5033 3.5033 3.6294 3.6294 3.8724 3.8724 4.1046 4.1046 4.1533 4.1533 4.1896 4.1896 4.5762 4.5762 4.6397 4.6397 5.1853 5.1853 5.4488 5.4488 5.7242 5.7242 6.1671 6.1671 6.2683 6.2683 14.4564 14.4564 16.1033 16.1033 16.2702 16.2702 17.3899 17.3899 17.5806 17.5806 17.7864 17.7864 k = 0.2411-0.0000-0.0000 ( 4236 PWs) bands (ev): -13.5636 -13.5636 -13.2858 -13.2858 -12.6512 -12.6512 -12.3863 -12.3863 -10.5546 -10.5546 -10.3723 -10.3723 -9.8303 -9.8303 -9.7480 -9.7480 -2.0439 -2.0439 -1.7460 -1.7460 -0.0058 -0.0058 0.4025 0.4025 0.6482 0.6482 1.8738 1.8738 1.9313 1.9313 2.3752 2.3752 2.4591 2.4591 2.5004 2.5004 2.6042 2.6042 3.4227 3.4227 3.5951 3.5951 3.8088 3.8088 4.1108 4.1108 4.1258 4.1258 4.1304 4.1304 4.5352 4.5352 4.6362 4.6362 5.1752 5.1752 5.4697 5.4697 5.6963 5.6963 6.1562 6.1562 6.2435 6.2435 14.5643 14.5643 16.1322 16.1322 16.3261 16.3261 17.4953 17.4953 17.5320 17.5320 17.8793 17.8793 k = 0.2500-0.0000-0.0000 ( 4236 PWs) bands (ev): -13.5348 -13.5348 -13.2631 -13.2631 -12.6413 -12.6413 -12.3858 -12.3858 -10.5353 -10.5353 -10.3550 -10.3550 -9.8253 -9.8253 -9.7441 -9.7441 -2.0174 -2.0174 -1.7210 -1.7210 -0.0122 -0.0122 0.3571 0.3571 0.6580 0.6580 1.8467 1.8467 1.8856 1.8856 2.3504 2.3504 2.4817 2.4817 2.4866 2.4866 2.5754 2.5754 3.3411 3.3411 3.5601 3.5601 3.7437 3.7437 4.0645 4.0645 4.1023 4.1023 4.1219 4.1219 4.4959 4.4959 4.6349 4.6349 5.1671 5.1671 5.4907 5.4907 5.6674 5.6674 6.1452 6.1452 6.2177 6.2177 14.6728 14.6728 16.1591 16.1591 16.3802 16.3802 17.4800 17.4800 17.6008 17.6008 17.9664 17.9664 k = 0.2589-0.0000-0.0000 ( 4240 PWs) bands (ev): -13.5054 -13.5054 -13.2400 -13.2400 -12.6318 -12.6318 -12.3857 -12.3857 -10.5154 -10.5154 -10.3375 -10.3375 -9.8206 -9.8206 -9.7406 -9.7406 -1.9905 -1.9905 -1.6954 -1.6954 -0.0217 -0.0217 0.3097 0.3097 0.6695 0.6695 1.8122 1.8122 1.8407 1.8407 2.3340 2.3340 2.4666 2.4666 2.5101 2.5101 2.5499 2.5499 3.2586 3.2586 3.5250 3.5250 3.6788 3.6788 4.0034 4.0034 4.0755 4.0755 4.1337 4.1337 4.4581 4.4581 4.6354 4.6354 5.1610 5.1610 5.5117 5.5117 5.6377 5.6377 6.1340 6.1340 6.1909 6.1909 14.7818 14.7818 16.1840 16.1840 16.4324 16.4324 17.4265 17.4265 17.7043 17.7043 18.0471 18.0471 k = 0.2679-0.0000-0.0000 ( 4230 PWs) bands (ev): -13.4755 -13.4755 -13.2166 -13.2166 -12.6225 -12.6225 -12.3861 -12.3861 -10.4951 -10.4951 -10.3197 -10.3197 -9.8161 -9.8161 -9.7375 -9.7375 -1.9630 -1.9630 -1.6691 -1.6691 -0.0344 -0.0344 0.2602 0.2602 0.6828 0.6828 1.7717 1.7717 1.7968 1.7968 2.3243 2.3243 2.4500 2.4500 2.5232 2.5232 2.5387 2.5387 3.1757 3.1757 3.4903 3.4903 3.6147 3.6147 3.9439 3.9439 4.0480 4.0480 4.1471 4.1471 4.4212 4.4212 4.6379 4.6379 5.1563 5.1563 5.5327 5.5327 5.6071 5.6071 6.1227 6.1227 6.1631 6.1631 14.8912 14.8912 16.2069 16.2069 16.4825 16.4825 17.3717 17.3717 17.8051 17.8051 18.1203 18.1203 k = 0.2768-0.0000-0.0000 ( 4234 PWs) bands (ev): -13.4450 -13.4450 -13.1929 -13.1929 -12.6137 -12.6137 -12.3870 -12.3870 -10.4743 -10.4743 -10.3018 -10.3018 -9.8120 -9.8120 -9.7348 -9.7348 -1.9351 -1.9351 -1.6424 -1.6424 -0.0503 -0.0503 0.2091 0.2091 0.6978 0.6978 1.7269 1.7269 1.7541 1.7541 2.3198 2.3198 2.4331 2.4331 2.5055 2.5055 2.5601 2.5601 3.0927 3.0927 3.4564 3.4564 3.5521 3.5521 3.8866 3.8866 4.0203 4.0203 4.1616 4.1616 4.3850 4.3850 4.6419 4.6419 5.1528 5.1528 5.5534 5.5534 5.5759 5.5759 6.1113 6.1113 6.1344 6.1344 15.0009 15.0009 16.2276 16.2276 16.5302 16.5302 17.3161 17.3161 17.9005 17.9005 18.0610 18.0618 k = 0.2857-0.0000-0.0000 ( 4230 PWs) bands (ev): -13.4141 -13.4141 -13.1689 -13.1689 -12.6053 -12.6053 -12.3886 -12.3886 -10.4531 -10.4531 -10.2836 -10.2836 -9.8083 -9.8083 -9.7327 -9.7327 -1.9067 -1.9067 -1.6152 -1.6152 -0.0691 -0.0691 0.1563 0.1563 0.7144 0.7144 1.6795 1.6795 1.7128 1.7128 2.3187 2.3187 2.4158 2.4158 2.4889 2.4889 2.5819 2.5819 3.0099 3.0099 3.4239 3.4239 3.4912 3.4912 3.8320 3.8320 3.9928 3.9928 4.1771 4.1771 4.3495 4.3495 4.6476 4.6476 5.1503 5.1503 5.5439 5.5439 5.5741 5.5741 6.0995 6.0995 6.1052 6.1052 15.1107 15.1107 16.2463 16.2463 16.5756 16.5756 17.2601 17.2601 17.9825 17.9826 17.9880 17.9880 k = 0.2946-0.0000-0.0000 ( 4230 PWs) bands (ev): -13.3828 -13.3828 -13.1447 -13.1447 -12.5975 -12.5975 -12.3908 -12.3908 -10.4315 -10.4315 -10.2653 -10.2653 -9.8050 -9.8050 -9.7312 -9.7312 -1.8779 -1.8779 -1.5874 -1.5874 -0.0907 -0.0907 0.1022 0.1022 0.7325 0.7325 1.6307 1.6307 1.6727 1.6727 2.3195 2.3195 2.3981 2.3981 2.4752 2.4752 2.6014 2.6014 2.9282 2.9282 3.3933 3.3933 3.4325 3.4325 3.7807 3.7807 3.9657 3.9657 4.1933 4.1933 4.3145 4.3145 4.6546 4.6546 5.1484 5.1484 5.5115 5.5115 5.5944 5.5944 6.0736 6.0736 6.0893 6.0893 15.2206 15.2206 16.2630 16.2630 16.6184 16.6184 17.2043 17.2043 17.9086 17.9086 18.0530 18.0530 k = 0.3036-0.0000-0.0000 ( 4228 PWs) bands (ev): -13.3512 -13.3512 -13.1204 -13.1204 -12.5902 -12.5902 -12.3936 -12.3936 -10.4095 -10.4095 -10.2470 -10.2470 -9.8021 -9.8021 -9.7302 -9.7302 -1.8487 -1.8487 -1.5593 -1.5593 -0.1147 -0.1147 0.0469 0.0469 0.7519 0.7519 1.5817 1.5817 1.6341 1.6341 2.3211 2.3211 2.3800 2.3800 2.4642 2.4642 2.6173 2.6173 2.8486 2.8486 3.3649 3.3649 3.3762 3.3762 3.7329 3.7329 3.9391 3.9391 4.2102 4.2102 4.2801 4.2801 4.6628 4.6628 5.1468 5.1468 5.4787 5.4787 5.6144 5.6144 6.0421 6.0421 6.0781 6.0781 15.3306 15.3306 16.2776 16.2776 16.6584 16.6584 17.1489 17.1489 17.8339 17.8339 18.0057 18.0057 k = 0.3125-0.0000-0.0000 ( 4234 PWs) bands (ev): -13.3192 -13.3192 -13.0960 -13.0960 -12.5835 -12.5835 -12.3972 -12.3972 -10.3872 -10.3872 -10.2285 -10.2285 -9.7996 -9.7996 -9.7300 -9.7300 -1.8192 -1.8192 -1.5307 -1.5307 -0.1411 -0.1411 -0.0093 -0.0093 0.7725 0.7725 1.5332 1.5332 1.5967 1.5967 2.3224 2.3224 2.3615 2.3615 2.4561 2.4561 2.6255 2.6255 2.7750 2.7750 3.3221 3.3221 3.3400 3.3400 3.6891 3.6891 3.9134 3.9134 4.2276 4.2276 4.2464 4.2464 4.6721 4.6721 5.1454 5.1454 5.4456 5.4456 5.6340 5.6340 6.0097 6.0097 6.0673 6.0673 15.4405 15.4405 16.2903 16.2903 16.6954 16.6954 17.0946 17.0946 17.7607 17.7607 17.9566 17.9566 k = 0.3214-0.0000-0.0000 ( 4234 PWs) bands (ev): -13.2871 -13.2871 -13.0715 -13.0715 -12.5776 -12.5776 -12.4015 -12.4015 -10.3646 -10.3646 -10.2101 -10.2101 -9.7977 -9.7977 -9.7304 -9.7304 -1.7893 -1.7893 -1.5017 -1.5017 -0.1694 -0.1694 -0.0662 -0.0662 0.7941 0.7941 1.4859 1.4859 1.5607 1.5607 2.3229 2.3229 2.3428 2.3428 2.4505 2.4505 2.6129 2.6129 2.7203 2.7203 3.2713 3.2713 3.3179 3.3179 3.6495 3.6495 3.8885 3.8885 4.2134 4.2134 4.2454 4.2454 4.6825 4.6825 5.1439 5.1439 5.4124 5.4124 5.6532 5.6532 5.9764 5.9764 6.0567 6.0567 15.5502 15.5502 16.3011 16.3011 16.7292 16.7292 17.0417 17.0417 17.6894 17.6894 17.9102 17.9102 k = 0.3304-0.0000-0.0000 ( 4236 PWs) bands (ev): -13.2548 -13.2548 -13.0470 -13.0470 -12.5723 -12.5723 -12.4067 -12.4067 -10.3417 -10.3417 -10.1916 -10.1916 -9.7962 -9.7962 -9.7315 -9.7315 -1.7591 -1.7591 -1.4723 -1.4723 -0.1995 -0.1995 -0.1235 -0.1235 0.8166 0.8166 1.4403 1.4403 1.5259 1.5259 2.3217 2.3217 2.3241 2.3241 2.4474 2.4474 2.5632 2.5632 2.7008 2.7008 3.2235 3.2235 3.2994 3.2994 3.6143 3.6143 3.8644 3.8644 4.1814 4.1814 4.2635 4.2635 4.6936 4.6936 5.1421 5.1421 5.3793 5.3793 5.6720 5.6720 5.9423 5.9423 6.0465 6.0465 15.6597 15.6597 16.3102 16.3102 16.7589 16.7589 16.9912 16.9912 17.6203 17.6203 17.8669 17.8669 k = 0.3393-0.0000-0.0000 ( 4238 PWs) bands (ev): -13.2223 -13.2223 -13.0226 -13.0226 -12.5679 -12.5679 -12.4126 -12.4126 -10.3186 -10.3186 -10.1732 -10.1732 -9.7954 -9.7954 -9.7334 -9.7334 -1.7286 -1.7286 -1.4426 -1.4426 -0.2310 -0.2310 -0.1811 -0.1811 0.8398 0.8398 1.3967 1.3967 1.4923 1.4923 2.3046 2.3046 2.3194 2.3194 2.4464 2.4464 2.4936 2.4936 2.6989 2.6989 3.1790 3.1790 3.2848 3.2848 3.5835 3.5835 3.8413 3.8413 4.1508 4.1508 4.2815 4.2815 4.7056 4.7056 5.1399 5.1399 5.3466 5.3466 5.6902 5.6902 5.9075 5.9075 6.0366 6.0366 15.7689 15.7689 16.3176 16.3176 16.7828 16.7828 16.9450 16.9450 17.5537 17.5537 17.8271 17.8271 k = 0.3482-0.0000-0.0000 ( 4242 PWs) bands (ev): -13.1898 -13.1898 -12.9983 -12.9983 -12.5642 -12.5642 -12.4194 -12.4194 -10.2953 -10.2953 -10.1549 -10.1549 -9.7950 -9.7950 -9.7361 -9.7361 -1.6978 -1.6978 -1.4126 -1.4126 -0.2637 -0.2637 -0.2388 -0.2388 0.8636 0.8636 1.3554 1.3554 1.4599 1.4599 2.2856 2.2856 2.3146 2.3146 2.4188 2.4188 2.4481 2.4481 2.6995 2.6995 3.1381 3.1381 3.2742 3.2742 3.5569 3.5569 3.8191 3.8191 4.1218 4.1218 4.2994 4.2994 4.7181 4.7181 5.1372 5.1372 5.3144 5.3144 5.7079 5.7079 5.8720 5.8720 6.0271 6.0271 15.8779 15.8779 16.3235 16.3235 16.7958 16.7958 16.9083 16.9083 17.4900 17.4900 17.7911 17.7911 k = 0.3571-0.0000-0.0000 ( 4242 PWs) bands (ev): -13.1573 -13.1573 -12.9742 -12.9742 -12.5615 -12.5615 -12.4272 -12.4272 -10.2718 -10.2718 -10.1368 -10.1368 -9.7953 -9.7953 -9.7396 -9.7396 -1.6667 -1.6667 -1.3822 -1.3822 -0.2974 -0.2974 -0.2963 -0.2963 0.8881 0.8881 1.3166 1.3166 1.4286 1.4286 2.2669 2.2669 2.3077 2.3077 2.3440 2.3440 2.4507 2.4507 2.6987 2.6987 3.1011 3.1011 3.2676 3.2676 3.5341 3.5341 3.7977 3.7977 4.0951 4.0951 4.3168 4.3168 4.7313 4.7313 5.1337 5.1337 5.2833 5.2833 5.7250 5.7250 5.8359 5.8359 6.0180 6.0180 15.9865 15.9865 16.3279 16.3279 16.7871 16.7871 16.8919 16.8919 17.4293 17.4293 17.7593 17.7593 k = 0.3661-0.0000-0.0000 ( 4230 PWs) bands (ev): -13.1249 -13.1249 -12.9502 -12.9502 -12.5596 -12.5596 -12.4358 -12.4358 -10.2483 -10.2483 -10.1187 -10.1187 -9.7962 -9.7962 -9.7440 -9.7440 -1.6353 -1.6353 -1.3515 -1.3515 -0.3535 -0.3535 -0.3319 -0.3319 0.9131 0.9131 1.2805 1.2805 1.3983 1.3983 2.2486 2.2486 2.2695 2.2695 2.2991 2.2991 2.4549 2.4549 2.6953 2.6953 3.0682 3.0682 3.2649 3.2649 3.5145 3.5145 3.7771 3.7771 4.0712 4.0712 4.3334 4.3334 4.7450 4.7450 5.1295 5.1295 5.2534 5.2534 5.7414 5.7414 5.7994 5.7994 6.0094 6.0094 16.0946 16.0946 16.3311 16.3311 16.7573 16.7573 16.8956 16.8956 17.3718 17.3718 17.7230 17.7230 k = 0.3750-0.0000-0.0000 ( 4240 PWs) bands (ev): -13.0926 -13.0926 -12.9266 -12.9266 -12.5587 -12.5587 -12.4454 -12.4454 -10.2247 -10.2247 -10.1009 -10.1009 -9.7978 -9.7978 -9.7493 -9.7493 -1.6035 -1.6035 -1.3206 -1.3206 -0.4103 -0.4103 -0.3670 -0.3670 0.9386 0.9386 1.2473 1.2473 1.3691 1.3691 2.1966 2.1966 2.2309 2.2309 2.2884 2.2884 2.4602 2.4602 2.6892 2.6892 3.0397 3.0397 3.2659 3.2659 3.4970 3.4970 3.7570 3.7570 4.0508 4.0508 4.3487 4.3487 4.7590 4.7590 5.1244 5.1244 5.2254 5.2254 5.7534 5.7534 5.7661 5.7661 6.0013 6.0013 16.2023 16.2023 16.3331 16.3331 16.7192 16.7192 16.9063 16.9063 17.3178 17.3178 17.6840 17.6840 k = 0.3839-0.0000-0.0000 ( 4236 PWs) bands (ev): -13.0605 -13.0605 -12.9033 -12.9033 -12.5587 -12.5587 -12.4560 -12.4560 -10.2012 -10.2012 -10.0833 -10.0833 -9.8000 -9.8000 -9.7555 -9.7555 -1.5714 -1.5714 -1.2895 -1.2895 -0.4664 -0.4664 -0.4025 -0.4025 0.9646 0.9646 1.2170 1.2170 1.3409 1.3409 2.1252 2.1252 2.2140 2.2140 2.2763 2.2763 2.4662 2.4662 2.6806 2.6806 3.0158 3.0158 3.2704 3.2704 3.4807 3.4807 3.7376 3.7376 4.0346 4.0346 4.3623 4.3623 4.7735 4.7735 5.1185 5.1185 5.1997 5.1997 5.7230 5.7230 5.7741 5.7741 5.9936 5.9936 16.3094 16.3094 16.3341 16.3341 16.6796 16.6796 16.9175 16.9175 17.2673 17.2673 17.6475 17.6475 k = 0.3929-0.0000-0.0000 ( 4236 PWs) bands (ev): -13.0287 -13.0287 -12.8804 -12.8804 -12.5597 -12.5597 -12.4675 -12.4675 -10.1777 -10.1777 -10.0660 -10.0660 -9.8028 -9.8028 -9.7626 -9.7626 -1.5389 -1.5389 -1.2581 -1.2581 -0.5218 -0.5218 -0.4383 -0.4383 0.9912 0.9912 1.1898 1.1898 1.3138 1.3138 2.0556 2.0556 2.1980 2.1980 2.2629 2.2629 2.4725 2.4725 2.6700 2.6700 2.9970 2.9970 3.2779 3.2779 3.4643 3.4643 3.7185 3.7185 4.0231 4.0231 4.3737 4.3737 4.7882 4.7882 5.1115 5.1115 5.1768 5.1768 5.6853 5.6853 5.7885 5.7885 5.9863 5.9863 16.3343 16.3343 16.4159 16.4159 16.6407 16.6407 16.9272 16.9272 17.2206 17.2206 17.6138 17.6138 k = 0.4018-0.0000-0.0000 ( 4248 PWs) bands (ev): -12.9971 -12.9971 -12.8579 -12.8579 -12.5618 -12.5618 -12.4801 -12.4801 -10.1543 -10.1543 -10.0490 -10.0490 -9.8064 -9.8064 -9.7707 -9.7707 -1.5060 -1.5060 -1.2264 -1.2264 -0.5763 -0.5763 -0.4743 -0.4743 1.0184 1.0184 1.1656 1.1656 1.2878 1.2878 1.9879 1.9879 2.1831 2.1831 2.2487 2.2487 2.4787 2.4787 2.6577 2.6577 2.9833 2.9833 3.2882 3.2882 3.4469 3.4469 3.6997 3.6997 4.0169 4.0169 4.3823 4.3823 4.8032 4.8032 5.1037 5.1037 5.1575 5.1575 5.6471 5.6471 5.8024 5.8024 5.9794 5.9794 16.3339 16.3339 16.5217 16.5217 16.6035 16.6035 16.9346 16.9346 17.1777 17.1777 17.5829 17.5829 k = 0.4107-0.0000-0.0000 ( 4260 PWs) bands (ev): -12.9659 -12.9659 -12.8359 -12.8359 -12.5649 -12.5649 -12.4937 -12.4937 -10.1311 -10.1311 -10.0323 -10.0323 -9.8106 -9.8106 -9.7797 -9.7797 -1.4727 -1.4727 -1.1946 -1.1946 -0.6298 -0.6298 -0.5104 -0.5104 1.0463 1.0463 1.1444 1.1444 1.2629 1.2629 1.9223 1.9223 2.1694 2.1694 2.2339 2.2339 2.4846 2.4846 2.6444 2.6444 2.9750 2.9750 3.3008 3.3008 3.4277 3.4277 3.6811 3.6811 4.0163 4.0163 4.3875 4.3875 4.8184 4.8184 5.0950 5.0950 5.1422 5.1422 5.6087 5.6087 5.8156 5.8156 5.9729 5.9729 16.3331 16.3331 16.5683 16.5683 16.6268 16.6268 16.9397 16.9397 17.1386 17.1386 17.5551 17.5551 k = 0.4196-0.0000-0.0000 ( 4260 PWs) bands (ev): -12.9352 -12.9352 -12.8144 -12.8144 -12.5690 -12.5690 -12.5084 -12.5084 -10.1081 -10.1081 -10.0160 -10.0160 -9.8155 -9.8155 -9.7896 -9.7896 -1.4389 -1.4389 -1.1625 -1.1625 -0.6824 -0.6824 -0.5465 -0.5465 1.0749 1.0749 1.1264 1.1264 1.2391 1.2391 1.8588 1.8588 2.1571 2.1571 2.2190 2.2190 2.4899 2.4899 2.6304 2.6304 2.9721 2.9721 3.3154 3.3154 3.4062 3.4062 3.6627 3.6627 4.0212 4.0212 4.3888 4.3888 4.8337 4.8337 5.0855 5.0855 5.1314 5.1314 5.5702 5.5702 5.8283 5.8283 5.9667 5.9667 16.3321 16.3321 16.5355 16.5355 16.7311 16.7311 16.9427 16.9427 17.1035 17.1035 17.5304 17.5304 k = 0.4286-0.0000-0.0000 ( 4260 PWs) bands (ev): -12.9049 -12.9049 -12.7936 -12.7936 -12.5742 -12.5742 -12.5241 -12.5241 -10.0854 -10.0854 -10.0001 -10.0001 -9.8212 -9.8212 -9.8005 -9.8005 -1.4045 -1.4045 -1.1302 -1.1302 -0.7338 -0.7338 -0.5825 -0.5825 1.1043 1.1043 1.1116 1.1116 1.2166 1.2166 1.7975 1.7975 2.1464 2.1464 2.2043 2.2043 2.4946 2.4946 2.6162 2.6162 2.9746 2.9746 3.3316 3.3316 3.3823 3.3823 3.6442 3.6442 4.0314 4.0314 4.3858 4.3858 4.8492 4.8492 5.0755 5.0755 5.1254 5.1254 5.5318 5.5318 5.8402 5.8402 5.9607 5.9607 16.3311 16.3311 16.5051 16.5051 16.8345 16.8345 16.9439 16.9439 17.0721 17.0721 17.5089 17.5089 k = 0.4375-0.0000-0.0000 ( 4256 PWs) bands (ev): -12.8751 -12.8751 -12.7734 -12.7734 -12.5804 -12.5804 -12.5408 -12.5408 -10.0630 -10.0630 -9.9847 -9.9847 -9.8275 -9.8275 -9.8123 -9.8123 -1.3695 -1.3695 -1.0976 -1.0976 -0.7840 -0.7840 -0.6184 -0.6184 1.0993 1.0993 1.1352 1.1352 1.1955 1.1955 1.7386 1.7386 2.1372 2.1372 2.1901 2.1901 2.4986 2.4986 2.6022 2.6022 2.9822 2.9822 3.3491 3.3491 3.3560 3.3560 3.6256 3.6256 4.0463 4.0463 4.3783 4.3783 4.8648 4.8648 5.0647 5.0647 5.1247 5.1247 5.4937 5.4937 5.8514 5.8514 5.9549 5.9549 16.3304 16.3304 16.4772 16.4772 16.9366 16.9366 16.9440 16.9440 17.0446 17.0446 17.4908 17.4908 k = 0.4464-0.0000-0.0000 ( 4244 PWs) bands (ev): -12.8460 -12.8460 -12.7538 -12.7538 -12.5878 -12.5878 -12.5585 -12.5585 -10.0410 -10.0410 -9.9697 -9.9697 -9.8345 -9.8345 -9.8251 -9.8251 -1.3339 -1.3339 -1.0649 -1.0649 -0.8331 -0.8331 -0.6541 -0.6541 1.0902 1.0902 1.1666 1.1666 1.1760 1.1760 1.6819 1.6819 2.1297 2.1297 2.1767 2.1767 2.5021 2.5021 2.5887 2.5887 2.9944 2.9944 3.3275 3.3275 3.3678 3.3678 3.6068 3.6068 4.0653 4.0653 4.3664 4.3664 4.8804 4.8804 5.0533 5.0533 5.1293 5.1293 5.4559 5.4559 5.8620 5.8620 5.9492 5.9492 16.3302 16.3302 16.4519 16.4519 16.9427 16.9427 17.0207 17.0207 17.0381 17.0381 17.4761 17.4761 k = 0.4554-0.0000-0.0000 ( 4244 PWs) bands (ev): -12.8175 -12.8175 -12.7351 -12.7351 -12.5961 -12.5961 -12.5773 -12.5773 -10.0194 -10.0194 -9.9552 -9.9552 -9.8423 -9.8423 -9.8387 -9.8387 -1.2975 -1.2975 -1.0319 -1.0319 -0.8810 -0.8810 -0.6896 -0.6896 1.0840 1.0840 1.1573 1.1573 1.2000 1.2000 1.6274 1.6274 2.1240 2.1240 2.1642 2.1642 2.5055 2.5055 2.5759 2.5759 3.0110 3.0110 3.2975 3.2975 3.3872 3.3872 3.5878 3.5878 4.0877 4.0877 4.3503 4.3503 4.8959 4.8959 5.0412 5.0412 5.1390 5.1390 5.4187 5.4187 5.8720 5.8720 5.9435 5.9435 16.3308 16.3308 16.4293 16.4293 16.9413 16.9413 17.0004 17.0004 17.1379 17.1379 17.4650 17.4650 k = 0.4643-0.0000-0.0000 ( 4238 PWs) bands (ev): -12.7896 -12.7896 -12.7170 -12.7170 -12.6056 -12.6056 -12.5971 -12.5971 -9.9983 -9.9983 -9.9412 -9.9412 -9.8534 -9.8534 -9.8505 -9.8505 -1.2603 -1.2603 -0.9987 -0.9987 -0.9277 -0.9277 -0.7249 -0.7249 1.0806 1.0806 1.1407 1.1407 1.2344 1.2344 1.5753 1.5753 2.1200 2.1200 2.1529 2.1529 2.5088 2.5088 2.5641 2.5641 3.0313 3.0313 3.2664 3.2664 3.4071 3.4071 3.5686 3.5686 4.1128 4.1128 4.3305 4.3305 4.9115 4.9115 5.0284 5.0284 5.1535 5.1535 5.3822 5.3822 5.8813 5.8813 5.9378 5.9378 16.3324 16.3324 16.4093 16.4093 16.9401 16.9401 16.9835 16.9835 17.2360 17.2360 17.4579 17.4579 k = 0.4732-0.0000-0.0000 ( 4238 PWs) bands (ev): -12.7626 -12.7626 -12.6999 -12.6999 -12.6180 -12.6180 -12.6161 -12.6161 -9.9778 -9.9778 -9.9277 -9.9277 -9.8688 -9.8688 -9.8596 -9.8596 -1.2223 -1.2223 -0.9732 -0.9732 -0.9653 -0.9653 -0.7600 -0.7600 1.0799 1.0799 1.1258 1.1258 1.2704 1.2704 1.5254 1.5254 2.1179 2.1179 2.1429 2.1429 2.5126 2.5126 2.5534 2.5534 3.0549 3.0549 3.2345 3.2345 3.4274 3.4274 3.5490 3.5490 4.1398 4.1398 4.3076 4.3076 4.9269 4.9269 5.0150 5.0150 5.1723 5.1723 5.3468 5.3468 5.8899 5.8899 5.9319 5.9319 16.3353 16.3353 16.3918 16.3918 16.9394 16.9394 16.9698 16.9698 17.3307 17.3307 17.4563 17.4563 k = 0.4821-0.0000-0.0000 ( 4246 PWs) bands (ev): -12.7363 -12.7363 -12.6835 -12.6835 -12.6398 -12.6398 -12.6276 -12.6276 -9.9579 -9.9579 -9.9149 -9.9149 -9.8850 -9.8850 -9.8694 -9.8694 -1.1834 -1.1834 -1.0175 -1.0175 -0.9317 -0.9317 -0.7948 -0.7948 1.0818 1.0818 1.1128 1.1128 1.3081 1.3081 1.4778 1.4778 2.1176 2.1176 2.1345 2.1345 2.5169 2.5169 2.5438 2.5438 3.0811 3.0811 3.2024 3.2024 3.4479 3.4479 3.5292 3.5292 4.1682 4.1682 4.2821 4.2821 4.9423 4.9423 5.0012 5.0012 5.1948 5.1948 5.3126 5.3126 5.8980 5.8980 5.9258 5.9258 16.3398 16.3398 16.3769 16.3769 16.9398 16.9398 16.9590 16.9590 17.4110 17.4110 17.4710 17.4710 k = 0.4911-0.0000-0.0000 ( 4242 PWs) bands (ev): -12.7108 -12.7108 -12.6681 -12.6681 -12.6625 -12.6625 -12.6401 -12.6401 -9.9386 -9.9386 -9.9026 -9.9026 -9.9021 -9.9021 -9.8798 -9.8798 -1.1435 -1.1435 -1.0606 -1.0606 -0.8979 -0.8979 -0.8294 -0.8294 1.0861 1.0861 1.1018 1.1018 1.3475 1.3475 1.4323 1.4323 2.1191 2.1191 2.1276 2.1276 2.5220 2.5220 2.5354 2.5354 3.1094 3.1094 3.1705 3.1705 3.4684 3.4684 3.5091 3.5091 4.1972 4.1972 4.2548 4.2548 4.9574 4.9574 4.9869 4.9869 5.2206 5.2206 5.2799 5.2799 5.9056 5.9056 5.9195 5.9195 16.3459 16.3459 16.3643 16.3643 16.9416 16.9416 16.9508 16.9508 17.4396 17.4396 17.4596 17.4596 k = 0.5000-0.0000-0.0000 ( 4240 PWs) bands (ev): -12.6862 -12.6862 -12.6862 -12.6862 -12.6536 -12.6536 -12.6536 -12.6536 -9.9200 -9.9200 -9.9200 -9.9200 -9.8909 -9.8909 -9.8909 -9.8909 -1.1026 -1.1026 -1.1026 -1.1026 -0.8638 -0.8638 -0.8638 -0.8638 1.0928 1.0928 1.0928 1.0928 1.3889 1.3889 1.3889 1.3889 2.1225 2.1225 2.1225 2.1225 2.5281 2.5281 2.5281 2.5281 3.1394 3.1394 3.1394 3.1394 3.4888 3.4888 3.4888 3.4888 4.2263 4.2263 4.2263 4.2263 4.9723 4.9723 4.9723 4.9723 5.2491 5.2491 5.2491 5.2491 5.9128 5.9128 5.9128 5.9128 16.3541 16.3541 16.3541 16.3541 16.9451 16.9451 16.9451 16.9451 17.4494 17.4494 17.4494 17.4494 k = 0.5000-0.0000-0.0000 ( 4240 PWs) bands (ev): -12.6862 -12.6862 -12.6862 -12.6862 -12.6536 -12.6536 -12.6536 -12.6536 -9.9200 -9.9200 -9.9200 -9.9200 -9.8909 -9.8909 -9.8909 -9.8909 -1.1026 -1.1026 -1.1026 -1.1026 -0.8638 -0.8638 -0.8638 -0.8638 1.0928 1.0928 1.0928 1.0928 1.3889 1.3889 1.3889 1.3889 2.1225 2.1225 2.1225 2.1225 2.5281 2.5281 2.5281 2.5281 3.1394 3.1394 3.1394 3.1394 3.4888 3.4888 3.4888 3.4888 4.2263 4.2263 4.2263 4.2263 4.9723 4.9723 4.9723 4.9723 5.2491 5.2491 5.2491 5.2491 5.9128 5.9128 5.9128 5.9128 16.3541 16.3541 16.3541 16.3541 16.9451 16.9451 16.9451 16.9451 17.4494 17.4494 17.4494 17.4494 k = 0.5000 0.0088-0.0000 ( 4244 PWs) bands (ev): -12.6860 -12.6860 -12.6860 -12.6860 -12.6535 -12.6535 -12.6535 -12.6535 -9.9203 -9.9203 -9.9203 -9.9203 -9.8912 -9.8912 -9.8912 -9.8912 -1.1031 -1.1031 -1.1031 -1.1031 -0.8637 -0.8637 -0.8636 -0.8636 1.0919 1.0919 1.0927 1.0927 1.3910 1.3910 1.3914 1.3914 2.1210 2.1210 2.1210 2.1210 2.5260 2.5260 2.5269 2.5269 3.1366 3.1366 3.1375 3.1375 3.4932 3.4932 3.4932 3.4932 4.2258 4.2258 4.2264 4.2264 4.9698 4.9698 4.9719 4.9719 5.2505 5.2505 5.2528 5.2528 5.9127 5.9127 5.9129 5.9129 16.3509 16.3509 16.3509 16.3509 16.9383 16.9383 16.9384 16.9384 17.4610 17.4610 17.4610 17.4610 k = 0.5000 0.0176-0.0000 ( 4250 PWs) bands (ev): -12.6854 -12.6854 -12.6854 -12.6854 -12.6529 -12.6529 -12.6529 -12.6529 -9.9211 -9.9211 -9.9211 -9.9211 -9.8922 -9.8922 -9.8922 -9.8922 -1.1047 -1.1047 -1.1045 -1.1045 -0.8632 -0.8632 -0.8631 -0.8631 1.0898 1.0898 1.0914 1.0914 1.3976 1.3976 1.3985 1.3985 2.1165 2.1165 2.1166 2.1166 2.5206 2.5206 2.5224 2.5224 3.1296 3.1296 3.1313 3.1313 3.5056 3.5056 3.5057 3.5057 4.2250 4.2250 4.2260 4.2260 4.9648 4.9648 4.9687 4.9687 5.2570 5.2570 5.2614 5.2614 5.9128 5.9128 5.9132 5.9132 16.3412 16.3412 16.3412 16.3412 16.9202 16.9202 16.9204 16.9204 17.4930 17.4930 17.4931 17.4931 k = 0.5000 0.0263-0.0000 ( 4250 PWs) bands (ev): -12.6844 -12.6844 -12.6844 -12.6844 -12.6521 -12.6521 -12.6521 -12.6521 -9.9225 -9.9225 -9.9225 -9.9225 -9.8938 -9.8938 -9.8938 -9.8938 -1.1071 -1.1071 -1.1069 -1.1069 -0.8625 -0.8625 -0.8623 -0.8623 1.0868 1.0868 1.0891 1.0891 1.4086 1.4086 1.4098 1.4098 2.1092 2.1092 2.1093 2.1093 2.5120 2.5120 2.5146 2.5146 3.1197 3.1197 3.1222 3.1222 3.5249 3.5249 3.5251 3.5251 4.2237 4.2237 4.2253 4.2253 4.9578 4.9578 4.9634 4.9634 5.2679 5.2679 5.2740 5.2740 5.9130 5.9130 5.9136 5.9136 16.3250 16.3250 16.3251 16.3251 16.8963 16.8963 16.8965 16.8965 17.5393 17.5393 17.5393 17.5393 k = 0.5000 0.0351-0.0000 ( 4246 PWs) bands (ev): -12.6830 -12.6830 -12.6830 -12.6830 -12.6508 -12.6508 -12.6508 -12.6508 -9.9244 -9.9244 -9.9244 -9.9244 -9.8960 -9.8960 -9.8960 -9.8960 -1.1104 -1.1104 -1.1102 -1.1102 -0.8616 -0.8616 -0.8613 -0.8613 1.0831 1.0831 1.0860 1.0860 1.4235 1.4235 1.4249 1.4249 2.0993 2.0993 2.0994 2.0994 2.5001 2.5001 2.5035 2.5035 3.1083 3.1083 3.1115 3.1115 3.5496 3.5496 3.5498 3.5498 4.2220 4.2220 4.2241 4.2241 4.9498 4.9498 4.9566 4.9566 5.2824 5.2824 5.2900 5.2900 5.9133 5.9133 5.9141 5.9141 16.3025 16.3025 16.3026 16.3026 16.8717 16.8717 16.8719 16.8719 17.5922 17.5922 17.5924 17.5924 k = 0.5000 0.0439-0.0000 ( 4244 PWs) bands (ev): -12.6813 -12.6813 -12.6813 -12.6813 -12.6493 -12.6493 -12.6493 -12.6493 -9.9269 -9.9269 -9.9269 -9.9269 -9.8988 -9.8988 -9.8988 -9.8988 -1.1145 -1.1145 -1.1141 -1.1141 -0.8605 -0.8605 -0.8601 -0.8601 1.0788 1.0788 1.0822 1.0822 1.4420 1.4420 1.4436 1.4436 2.0869 2.0869 2.0872 2.0872 2.4851 2.4851 2.4892 2.4892 3.0968 3.0968 3.1006 3.1006 3.5782 3.5782 3.5786 3.5786 4.2197 4.2197 4.2224 4.2224 4.9415 4.9415 4.9492 4.9492 5.2996 5.2996 5.3083 5.3083 5.9138 5.9138 5.9147 5.9147 16.2741 16.2741 16.2743 16.2743 16.8499 16.8499 16.8500 16.8500 17.6158 17.6158 17.6159 17.6159 k = 0.5000 0.0527-0.0000 ( 4248 PWs) bands (ev): -12.6791 -12.6791 -12.6791 -12.6791 -12.6474 -12.6474 -12.6474 -12.6474 -9.9298 -9.9298 -9.9298 -9.9298 -9.9022 -9.9022 -9.9022 -9.9022 -1.1191 -1.1191 -1.1187 -1.1187 -0.8592 -0.8592 -0.8588 -0.8588 1.0740 1.0740 1.0778 1.0778 1.4635 1.4635 1.4652 1.4652 2.0725 2.0725 2.0728 2.0728 2.4671 2.4671 2.4719 2.4719 3.0860 3.0860 3.0904 3.0904 3.6096 3.6096 3.6101 3.6101 4.2170 4.2170 4.2201 4.2201 4.9334 4.9334 4.9418 4.9418 5.3186 5.3186 5.3282 5.3282 5.9144 5.9144 5.9155 5.9155 16.2407 16.2407 16.2409 16.2409 16.8326 16.8326 16.8326 16.8326 17.6123 17.6123 17.6123 17.6123 k = 0.5000 0.0614-0.0000 ( 4252 PWs) bands (ev): -12.6766 -12.6766 -12.6766 -12.6766 -12.6452 -12.6452 -12.6452 -12.6452 -9.9333 -9.9333 -9.9333 -9.9333 -9.9062 -9.9062 -9.9062 -9.9062 -1.1242 -1.1242 -1.1237 -1.1237 -0.8579 -0.8579 -0.8574 -0.8574 1.0689 1.0689 1.0730 1.0730 1.4876 1.4876 1.4892 1.4892 2.0564 2.0564 2.0569 2.0569 2.4465 2.4465 2.4519 2.4519 3.0766 3.0766 3.0814 3.0814 3.6430 3.6430 3.6435 3.6435 4.2138 4.2138 4.2174 4.2174 4.9261 4.9261 4.9350 4.9350 5.3389 5.3389 5.3491 5.3491 5.9153 5.9153 5.9165 5.9165 16.2036 16.2036 16.2039 16.2039 16.8202 16.8202 16.8204 16.8204 17.6074 17.6074 17.6074 17.6074 k = 0.5000 0.0702-0.0000 ( 4256 PWs) bands (ev): -12.6738 -12.6738 -12.6738 -12.6738 -12.6426 -12.6426 -12.6426 -12.6426 -9.9373 -9.9373 -9.9373 -9.9373 -9.9107 -9.9107 -9.9107 -9.9107 -1.1296 -1.1296 -1.1291 -1.1291 -0.8566 -0.8566 -0.8560 -0.8560 1.0633 1.0633 1.0677 1.0677 1.5137 1.5137 1.5152 1.5152 2.0392 2.0392 2.0397 2.0397 2.4238 2.4238 2.4296 2.4296 3.0688 3.0688 3.0739 3.0739 3.6775 3.6775 3.6781 3.6781 4.2102 4.2102 4.2143 4.2143 4.9199 4.9199 4.9292 4.9292 5.3598 5.3598 5.3705 5.3705 5.9163 5.9163 5.9177 5.9177 16.1641 16.1641 16.1644 16.1644 16.8129 16.8129 16.8131 16.8131 17.6018 17.6018 17.6018 17.6018 k = 0.5000 0.0790-0.0000 ( 4262 PWs) bands (ev): -12.6706 -12.6706 -12.6706 -12.6706 -12.6399 -12.6399 -12.6399 -12.6399 -9.9417 -9.9417 -9.9417 -9.9417 -9.9157 -9.9157 -9.9157 -9.9157 -1.1351 -1.1351 -1.1346 -1.1346 -0.8552 -0.8552 -0.8546 -0.8546 1.0573 1.0573 1.0619 1.0619 1.5411 1.5411 1.5424 1.5424 2.0212 2.0212 2.0219 2.0219 2.3995 2.3995 2.4056 2.4056 3.0624 3.0624 3.0679 3.0679 3.7127 3.7127 3.7133 3.7133 4.2063 4.2063 4.2108 4.2108 4.9150 4.9150 4.9244 4.9244 5.3807 5.3807 5.3920 5.3920 5.9175 5.9175 5.9191 5.9191 16.1236 16.1236 16.1240 16.1240 16.8099 16.8099 16.8103 16.8103 17.5957 17.5957 17.5957 17.5957 k = 0.5000 0.0878-0.0000 ( 4266 PWs) bands (ev): -12.6672 -12.6672 -12.6672 -12.6672 -12.6368 -12.6368 -12.6368 -12.6368 -9.9466 -9.9466 -9.9466 -9.9466 -9.9212 -9.9212 -9.9211 -9.9211 -1.1406 -1.1406 -1.1400 -1.1400 -0.8540 -0.8540 -0.8533 -0.8533 1.0508 1.0508 1.0555 1.0555 1.5691 1.5691 1.5701 1.5701 2.0033 2.0033 2.0041 2.0041 2.3745 2.3745 2.3808 2.3808 3.0574 3.0574 3.0631 3.0631 3.7481 3.7481 3.7487 3.7487 4.2024 4.2024 4.2074 4.2074 4.9113 4.9113 4.9209 4.9209 5.4015 5.4015 5.4130 5.4130 5.9190 5.9190 5.9207 5.9207 16.0834 16.0834 16.0838 16.0838 16.8108 16.8108 16.8113 16.8113 17.5891 17.5891 17.5891 17.5891 k = 0.5000 0.0966-0.0000 ( 4250 PWs) bands (ev): -12.6634 -12.6634 -12.6634 -12.6634 -12.6334 -12.6334 -12.6334 -12.6334 -9.9519 -9.9519 -9.9518 -9.9518 -9.9271 -9.9271 -9.9270 -9.9270 -1.1460 -1.1460 -1.1454 -1.1454 -0.8528 -0.8528 -0.8521 -0.8521 1.0436 1.0436 1.0484 1.0484 1.5969 1.5969 1.5975 1.5975 1.9859 1.9859 1.9869 1.9869 2.3494 2.3494 2.3559 2.3559 3.0534 3.0534 3.0591 3.0591 3.7834 3.7834 3.7840 3.7840 4.1988 4.1988 4.2043 4.2043 4.9088 4.9088 4.9186 4.9186 5.4216 5.4216 5.4335 5.4335 5.9206 5.9206 5.9225 5.9225 16.0444 16.0444 16.0449 16.0449 16.8149 16.8149 16.8155 16.8155 17.5821 17.5821 17.5822 17.5822 k = 0.5000 0.1053-0.0000 ( 4258 PWs) bands (ev): -12.6594 -12.6594 -12.6594 -12.6594 -12.6299 -12.6299 -12.6299 -12.6299 -9.9575 -9.9575 -9.9575 -9.9575 -9.9333 -9.9333 -9.9332 -9.9332 -1.1512 -1.1512 -1.1505 -1.1505 -0.8518 -0.8518 -0.8510 -0.8510 1.0356 1.0356 1.0404 1.0404 1.6231 1.6231 1.6234 1.6234 1.9700 1.9700 1.9712 1.9712 2.3254 2.3254 2.3319 2.3319 3.0498 3.0498 3.0557 3.0557 3.8181 3.8181 3.8186 3.8186 4.1960 4.1960 4.2018 4.2018 4.9075 4.9075 4.9174 4.9174 5.4409 5.4409 5.4530 5.4530 5.9225 5.9225 5.9244 5.9244 16.0077 16.0077 16.0082 16.0082 16.8217 16.8217 16.8223 16.8223 17.5748 17.5748 17.5749 17.5749 k = 0.5000 0.1141-0.0000 ( 4262 PWs) bands (ev): -12.6551 -12.6551 -12.6551 -12.6551 -12.6262 -12.6262 -12.6262 -12.6262 -9.9635 -9.9635 -9.9635 -9.9635 -9.9399 -9.9399 -9.9398 -9.9398 -1.1559 -1.1559 -1.1552 -1.1552 -0.8510 -0.8510 -0.8501 -0.8501 1.0266 1.0266 1.0314 1.0314 1.6463 1.6463 1.6465 1.6465 1.9564 1.9564 1.9578 1.9578 2.3035 2.3035 2.3099 2.3099 3.0464 3.0464 3.0523 3.0523 3.8518 3.8518 3.8522 3.8522 4.1944 4.1944 4.2006 4.2006 4.9071 4.9071 4.9171 4.9171 5.4592 5.4592 5.4714 5.4714 5.9244 5.9244 5.9265 5.9265 15.9739 15.9739 15.9744 15.9744 16.8306 16.8306 16.8313 16.8313 17.5672 17.5672 17.5673 17.5673 k = 0.5000 0.1229-0.0000 ( 4260 PWs) bands (ev): -12.6507 -12.6507 -12.6506 -12.6506 -12.6222 -12.6222 -12.6222 -12.6222 -9.9699 -9.9699 -9.9698 -9.9698 -9.9467 -9.9467 -9.9466 -9.9466 -1.1601 -1.1601 -1.1594 -1.1594 -0.8503 -0.8503 -0.8494 -0.8494 1.0165 1.0165 1.0212 1.0212 1.6646 1.6646 1.6654 1.6654 1.9461 1.9461 1.9476 1.9476 2.2851 2.2851 2.2913 2.2913 3.0426 3.0426 3.0485 3.0485 3.8841 3.8841 3.8844 3.8844 4.1947 4.1947 4.2012 4.2012 4.9075 4.9075 4.9176 4.9176 5.4762 5.4762 5.4885 5.4885 5.9265 5.9265 5.9286 5.9286 15.9436 15.9436 15.9441 15.9441 16.8413 16.8413 16.8421 16.8421 17.5594 17.5594 17.5596 17.5596 k = 0.5000 0.1317-0.0000 ( 4256 PWs) bands (ev): -12.6460 -12.6460 -12.6460 -12.6460 -12.6181 -12.6181 -12.6181 -12.6181 -9.9765 -9.9765 -9.9765 -9.9765 -9.9538 -9.9538 -9.9537 -9.9537 -1.1638 -1.1638 -1.1630 -1.1630 -0.8499 -0.8499 -0.8489 -0.8489 1.0051 1.0051 1.0098 1.0098 1.6769 1.6769 1.6780 1.6780 1.9399 1.9399 1.9413 1.9413 2.2715 2.2715 2.2773 2.2773 3.0380 3.0380 3.0439 3.0439 3.9143 3.9143 3.9145 3.9145 4.1976 4.1976 4.2043 4.2043 4.9085 4.9085 4.9186 4.9186 5.4918 5.4918 5.5042 5.5042 5.9285 5.9285 5.9307 5.9307 15.9172 15.9172 15.9177 15.9177 16.8535 16.8535 16.8543 16.8543 17.5515 17.5515 17.5517 17.5517 k = 0.5000 0.1404-0.0000 ( 4248 PWs) bands (ev): -12.6412 -12.6412 -12.6412 -12.6412 -12.6139 -12.6139 -12.6139 -12.6139 -9.9833 -9.9833 -9.9833 -9.9833 -9.9610 -9.9610 -9.9609 -9.9609 -1.1667 -1.1667 -1.1659 -1.1659 -0.8496 -0.8496 -0.8487 -0.8487 0.9924 0.9924 0.9970 0.9970 1.6819 1.6819 1.6834 1.6834 1.9380 1.9380 1.9391 1.9391 2.2640 2.2640 2.2694 2.2694 3.0323 3.0323 3.0382 3.0382 3.9420 3.9420 3.9421 3.9421 4.2038 4.2038 4.2106 4.2106 4.9099 4.9099 4.9200 4.9200 5.5061 5.5061 5.5185 5.5185 5.9304 5.9304 5.9327 5.9327 15.8950 15.8950 15.8955 15.8955 16.8667 16.8667 16.8676 16.8676 17.5434 17.5434 17.5437 17.5437 k = 0.5000 0.1492-0.0000 ( 4244 PWs) bands (ev): -12.6363 -12.6363 -12.6362 -12.6362 -12.6096 -12.6096 -12.6096 -12.6096 -9.9904 -9.9904 -9.9904 -9.9904 -9.9683 -9.9683 -9.9682 -9.9682 -1.1689 -1.1689 -1.1681 -1.1681 -0.8497 -0.8497 -0.8488 -0.8488 0.9784 0.9784 0.9828 0.9828 1.6795 1.6795 1.6812 1.6812 1.9396 1.9396 1.9403 1.9403 2.2636 2.2636 2.2685 2.2685 3.0251 3.0251 3.0310 3.0310 3.9666 3.9666 3.9667 3.9667 4.2138 4.2138 4.2208 4.2208 4.9115 4.9115 4.9216 4.9216 5.5190 5.5190 5.5314 5.5314 5.9321 5.9321 5.9344 5.9344 15.8774 15.8774 15.8779 15.8779 16.8806 16.8806 16.8816 16.8816 17.5354 17.5354 17.5357 17.5357 k = 0.5000 0.1580-0.0000 ( 4240 PWs) bands (ev): -12.6313 -12.6313 -12.6312 -12.6312 -12.6053 -12.6053 -12.6053 -12.6053 -9.9976 -9.9976 -9.9976 -9.9976 -9.9757 -9.9757 -9.9756 -9.9756 -1.1703 -1.1703 -1.1695 -1.1695 -0.8500 -0.8500 -0.8491 -0.8491 0.9631 0.9631 0.9674 0.9674 1.6704 1.6704 1.6722 1.6722 1.9439 1.9439 1.9439 1.9439 2.2709 2.2709 2.2751 2.2751 3.0163 3.0163 3.0222 3.0222 3.9877 3.9877 3.9880 3.9880 4.2282 4.2282 4.2350 4.2350 4.9132 4.9132 4.9232 4.9232 5.5304 5.5304 5.5428 5.5428 5.9334 5.9334 5.9358 5.9358 15.8646 15.8646 15.8651 15.8651 16.8950 16.8950 16.8960 16.8960 17.5274 17.5274 17.5278 17.5278 k = 0.5000 0.1668-0.0000 ( 4244 PWs) bands (ev): -12.6262 -12.6262 -12.6262 -12.6262 -12.6009 -12.6009 -12.6009 -12.6009 -10.0049 -10.0049 -10.0049 -10.0049 -9.9831 -9.9831 -9.9830 -9.9830 -1.1709 -1.1709 -1.1701 -1.1701 -0.8507 -0.8507 -0.8497 -0.8497 0.9467 0.9467 0.9508 0.9508 1.6558 1.6558 1.6576 1.6576 1.9491 1.9491 1.9498 1.9498 2.2854 2.2854 2.2891 2.2891 3.0058 3.0058 3.0117 3.0117 4.0056 4.0056 4.0061 4.0061 4.2466 4.2466 4.2532 4.2532 4.9148 4.9148 4.9248 4.9248 5.5406 5.5406 5.5527 5.5527 5.9342 5.9342 5.9366 5.9366 15.8565 15.8565 15.8570 15.8570 16.9094 16.9094 16.9105 16.9105 17.5196 17.5196 17.5199 17.5199 k = 0.5000 0.1756-0.0000 ( 4248 PWs) bands (ev): -12.6211 -12.6211 -12.6211 -12.6211 -12.5965 -12.5965 -12.5965 -12.5965 -10.0123 -10.0123 -10.0123 -10.0123 -9.9904 -9.9904 -9.9903 -9.9903 -1.1706 -1.1706 -1.1698 -1.1698 -0.8517 -0.8517 -0.8508 -0.8508 0.9293 0.9293 0.9332 0.9332 1.6368 1.6368 1.6386 1.6386 1.9556 1.9556 1.9569 1.9569 2.3062 2.3062 2.3094 2.3094 2.9935 2.9935 2.9994 2.9994 4.0206 4.0206 4.0213 4.0213 4.2687 4.2687 4.2749 4.2749 4.9164 4.9164 4.9263 4.9263 5.5494 5.5494 5.5614 5.5614 5.9343 5.9343 5.9368 5.9368 15.8535 15.8535 15.8540 15.8540 16.9235 16.9235 16.9246 16.9246 17.5119 17.5119 17.5123 17.5123 k = 0.5000 0.1843-0.0000 ( 4252 PWs) bands (ev): -12.6161 -12.6161 -12.6161 -12.6161 -12.5921 -12.5921 -12.5921 -12.5921 -10.0197 -10.0197 -10.0197 -10.0197 -9.9976 -9.9976 -9.9975 -9.9975 -1.1694 -1.1694 -1.1686 -1.1686 -0.8531 -0.8531 -0.8522 -0.8522 0.9111 0.9111 0.9149 0.9149 1.6147 1.6147 1.6165 1.6165 1.9635 1.9635 1.9654 1.9654 2.3318 2.3318 2.3346 2.3346 2.9795 2.9795 2.9854 2.9854 4.0334 4.0334 4.0344 4.0344 4.2934 4.2934 4.2993 4.2993 4.9178 4.9178 4.9276 4.9276 5.5572 5.5572 5.5689 5.5689 5.9337 5.9337 5.9361 5.9361 15.8553 15.8553 15.8558 15.8558 16.9369 16.9369 16.9380 16.9380 17.5046 17.5046 17.5050 17.5050 k = 0.5000 0.1931-0.0000 ( 4250 PWs) bands (ev): -12.6111 -12.6111 -12.6111 -12.6111 -12.5878 -12.5878 -12.5878 -12.5878 -10.0270 -10.0270 -10.0270 -10.0270 -10.0046 -10.0046 -10.0046 -10.0046 -1.1674 -1.1674 -1.1666 -1.1666 -0.8548 -0.8548 -0.8540 -0.8540 0.8925 0.8925 0.8960 0.8960 1.5902 1.5902 1.5920 1.5920 1.9732 1.9732 1.9755 1.9755 2.3605 2.3605 2.3630 2.3630 2.9641 2.9641 2.9699 2.9699 4.0446 4.0446 4.0458 4.0458 4.3200 4.3200 4.3254 4.3254 4.9192 4.9192 4.9288 4.9288 5.5639 5.5639 5.5754 5.5754 5.9322 5.9322 5.9346 5.9346 15.8621 15.8621 15.8626 15.8626 16.9490 16.9490 16.9503 16.9503 17.4977 17.4977 17.4982 17.4982 k = 0.5000 0.2019-0.0000 ( 4254 PWs) bands (ev): -12.6062 -12.6062 -12.6062 -12.6062 -12.5836 -12.5836 -12.5835 -12.5835 -10.0342 -10.0342 -10.0342 -10.0342 -10.0115 -10.0115 -10.0114 -10.0114 -1.1645 -1.1645 -1.1637 -1.1637 -0.8570 -0.8570 -0.8562 -0.8562 0.8736 0.8736 0.8769 0.8769 1.5643 1.5643 1.5660 1.5660 1.9849 1.9849 1.9875 1.9875 2.3908 2.3908 2.3931 2.3931 2.9476 2.9476 2.9534 2.9534 4.0548 4.0548 4.0562 4.0562 4.3475 4.3475 4.3524 4.3524 4.9204 4.9204 4.9298 4.9298 5.5699 5.5699 5.5811 5.5811 5.9296 5.9296 5.9320 5.9320 15.8737 15.8737 15.8742 15.8742 16.9595 16.9595 16.9607 16.9607 17.4914 17.4914 17.4920 17.4920 k = 0.5000 0.2107-0.0000 ( 4250 PWs) bands (ev): -12.6015 -12.6015 -12.6015 -12.6015 -12.5795 -12.5795 -12.5795 -12.5795 -10.0412 -10.0412 -10.0412 -10.0412 -10.0181 -10.0181 -10.0180 -10.0180 -1.1607 -1.1607 -1.1600 -1.1600 -0.8597 -0.8597 -0.8589 -0.8589 0.8548 0.8548 0.8579 0.8579 1.5376 1.5376 1.5393 1.5393 1.9987 1.9987 2.0016 2.0016 2.4212 2.4212 2.4233 2.4233 2.9304 2.9304 2.9361 2.9361 4.0644 4.0644 4.0660 4.0660 4.3750 4.3750 4.3795 4.3795 4.9217 4.9217 4.9308 4.9308 5.5753 5.5753 5.5860 5.5860 5.9259 5.9259 5.9283 5.9283 15.8899 15.8899 15.8905 15.8905 16.9676 16.9676 16.9689 16.9689 17.4859 17.4859 17.4866 17.4866 k = 0.5000 0.2194-0.0000 ( 4240 PWs) bands (ev): -12.5969 -12.5969 -12.5969 -12.5969 -12.5755 -12.5755 -12.5755 -12.5755 -10.0480 -10.0480 -10.0480 -10.0480 -10.0244 -10.0244 -10.0243 -10.0243 -1.1562 -1.1562 -1.1555 -1.1555 -0.8627 -0.8627 -0.8620 -0.8620 0.8364 0.8364 0.8393 0.8393 1.5107 1.5107 1.5124 1.5124 2.0147 2.0147 2.0178 2.0178 2.4503 2.4503 2.4523 2.4523 2.9134 2.9134 2.9189 2.9189 4.0735 4.0735 4.0752 4.0752 4.4020 4.4020 4.4061 4.4061 4.9231 4.9231 4.9319 4.9319 5.5804 5.5804 5.5906 5.5906 5.9212 5.9212 5.9235 5.9235 15.9106 15.9106 15.9112 15.9112 16.9727 16.9727 16.9740 16.9740 17.4816 17.4816 17.4824 17.4824 k = 0.5000 0.2282-0.0000 ( 4236 PWs) bands (ev): -12.5925 -12.5925 -12.5925 -12.5925 -12.5718 -12.5718 -12.5718 -12.5718 -10.0545 -10.0545 -10.0545 -10.0545 -10.0303 -10.0303 -10.0303 -10.0303 -1.1510 -1.1510 -1.1503 -1.1503 -0.8663 -0.8663 -0.8655 -0.8655 0.8187 0.8187 0.8213 0.8213 1.4842 1.4842 1.4857 1.4857 2.0329 2.0329 2.0360 2.0360 2.4767 2.4767 2.4785 2.4785 2.8972 2.8972 2.9026 2.9026 4.0824 4.0824 4.0842 4.0842 4.4278 4.4278 4.4315 4.4315 4.9247 4.9247 4.9330 4.9330 5.5852 5.5852 5.5948 5.5948 5.9153 5.9153 5.9175 5.9175 15.9355 15.9355 15.9361 15.9361 16.9742 16.9742 16.9755 16.9755 17.4788 17.4788 17.4797 17.4797 k = 0.5000 0.2370-0.0000 ( 4252 PWs) bands (ev): -12.5884 -12.5884 -12.5884 -12.5884 -12.5683 -12.5683 -12.5683 -12.5683 -10.0607 -10.0607 -10.0607 -10.0607 -10.0359 -10.0359 -10.0359 -10.0359 -1.1453 -1.1453 -1.1446 -1.1446 -0.8702 -0.8702 -0.8695 -0.8695 0.8018 0.8018 0.8042 0.8042 1.4585 1.4585 1.4599 1.4599 2.0529 2.0529 2.0562 2.0562 2.4990 2.4990 2.5004 2.5004 2.8829 2.8829 2.8880 2.8880 4.0909 4.0909 4.0927 4.0927 4.4519 4.4519 4.4552 4.4552 4.9264 4.9264 4.9343 4.9343 5.5900 5.5900 5.5990 5.5990 5.9083 5.9083 5.9104 5.9104 15.9642 15.9642 15.9648 15.9648 16.9713 16.9713 16.9727 16.9727 17.4777 17.4777 17.4787 17.4787 k = 0.5000 0.2458-0.0000 ( 4260 PWs) bands (ev): -12.5845 -12.5845 -12.5845 -12.5845 -12.5650 -12.5650 -12.5650 -12.5650 -10.0664 -10.0664 -10.0664 -10.0664 -10.0411 -10.0411 -10.0411 -10.0411 -1.1391 -1.1391 -1.1384 -1.1384 -0.8745 -0.8745 -0.8739 -0.8739 0.7861 0.7861 0.7882 0.7882 1.4340 1.4340 1.4353 1.4353 2.0747 2.0747 2.0780 2.0780 2.5156 2.5156 2.5167 2.5167 2.8717 2.8717 2.8764 2.8764 4.0991 4.0991 4.1009 4.1009 4.4741 4.4741 4.4770 4.4770 4.9284 4.9284 4.9358 4.9358 5.5950 5.5950 5.6033 5.6033 5.9003 5.9003 5.9022 5.9022 15.9963 15.9963 15.9968 15.9968 16.9637 16.9637 16.9651 16.9651 17.4788 17.4788 17.4798 17.4798 k = 0.5000 0.2545-0.0000 ( 4268 PWs) bands (ev): -12.5810 -12.5810 -12.5810 -12.5810 -12.5620 -12.5620 -12.5620 -12.5620 -10.0717 -10.0717 -10.0717 -10.0717 -10.0458 -10.0458 -10.0458 -10.0458 -1.1325 -1.1325 -1.1319 -1.1319 -0.8791 -0.8791 -0.8786 -0.8786 0.7716 0.7716 0.7735 0.7735 1.4111 1.4111 1.4123 1.4123 2.0979 2.0979 2.1012 2.1012 2.5255 2.5255 2.5261 2.5261 2.8646 2.8646 2.8687 2.8687 4.1069 4.1069 4.1086 4.1086 4.4940 4.4940 4.4966 4.4966 4.9307 4.9307 4.9375 4.9375 5.6003 5.6003 5.6079 5.6079 5.8914 5.8914 5.8932 5.8932 16.0312 16.0312 16.0317 16.0317 16.9512 16.9512 16.9525 16.9525 17.4822 17.4822 17.4834 17.4834 k = 0.5000 0.2633-0.0000 ( 4272 PWs) bands (ev): -12.5778 -12.5778 -12.5778 -12.5778 -12.5593 -12.5593 -12.5592 -12.5592 -10.0765 -10.0765 -10.0765 -10.0765 -10.0501 -10.0501 -10.0501 -10.0501 -1.1258 -1.1258 -1.1253 -1.1253 -0.8839 -0.8839 -0.8834 -0.8834 0.7586 0.7586 0.7602 0.7602 1.3901 1.3901 1.3912 1.3912 2.1223 2.1223 2.1256 2.1256 2.5281 2.5281 2.5281 2.5281 2.8618 2.8618 2.8653 2.8653 4.1142 4.1142 4.1158 4.1158 4.5114 4.5114 4.5136 4.5136 4.9333 4.9333 4.9394 4.9394 5.6059 5.6059 5.6127 5.6127 5.8819 5.8819 5.8835 5.8835 16.0682 16.0682 16.0687 16.0687 16.9337 16.9337 16.9350 16.9350 17.4881 17.4881 17.4893 17.4893 k = 0.5000 0.2721-0.0000 ( 4272 PWs) bands (ev): -12.5750 -12.5750 -12.5749 -12.5749 -12.5569 -12.5569 -12.5568 -12.5568 -10.0807 -10.0807 -10.0807 -10.0807 -10.0539 -10.0539 -10.0538 -10.0538 -1.1192 -1.1192 -1.1187 -1.1187 -0.8887 -0.8887 -0.8883 -0.8883 0.7471 0.7471 0.7486 0.7486 1.3713 1.3713 1.3723 1.3723 2.1474 2.1474 2.1506 2.1506 2.5232 2.5232 2.5237 2.5237 2.8631 2.8631 2.8658 2.8658 4.1208 4.1208 4.1223 4.1223 4.5264 4.5264 4.5282 4.5282 4.9360 4.9360 4.9413 4.9413 5.6119 5.6119 5.6179 5.6179 5.8721 5.8721 5.8735 5.8735 16.1063 16.1063 16.1069 16.1069 16.9121 16.9121 16.9133 16.9133 17.4964 17.4964 17.4977 17.4977 k = 0.5000 0.2809-0.0000 ( 4264 PWs) bands (ev): -12.5725 -12.5725 -12.5725 -12.5725 -12.5548 -12.5548 -12.5548 -12.5548 -10.0844 -10.0844 -10.0844 -10.0844 -10.0571 -10.0571 -10.0571 -10.0571 -1.1128 -1.1128 -1.1124 -1.1124 -0.8934 -0.8934 -0.8931 -0.8931 0.7373 0.7373 0.7385 0.7385 1.3550 1.3550 1.3558 1.3558 2.1727 2.1727 2.1758 2.1758 2.5124 2.5124 2.5135 2.5135 2.8673 2.8673 2.8694 2.8694 4.1266 4.1266 4.1279 4.1279 4.5388 4.5388 4.5403 4.5403 4.9387 4.9387 4.9433 4.9433 5.6182 5.6182 5.6233 5.6233 5.8623 5.8623 5.8635 5.8635 16.1445 16.1445 16.1450 16.1450 16.8874 16.8874 16.8885 16.8885 17.5068 17.5068 17.5082 17.5082 k = 0.5000 0.2897-0.0000 ( 4268 PWs) bands (ev): -12.5705 -12.5705 -12.5704 -12.5704 -12.5531 -12.5531 -12.5531 -12.5531 -10.0874 -10.0874 -10.0874 -10.0874 -10.0598 -10.0598 -10.0597 -10.0597 -1.1071 -1.1071 -1.1067 -1.1067 -0.8978 -0.8978 -0.8975 -0.8975 0.7293 0.7293 0.7302 0.7302 1.3414 1.3414 1.3420 1.3420 2.1976 2.1976 2.2004 2.2004 2.4978 2.4978 2.4992 2.4992 2.8731 2.8731 2.8746 2.8746 4.1316 4.1316 4.1327 4.1327 4.5487 4.5487 4.5499 4.5499 4.9414 4.9414 4.9450 4.9450 5.6244 5.6244 5.6285 5.6285 5.8530 5.8530 5.8539 5.8539 16.1810 16.1810 16.1815 16.1815 16.8613 16.8613 16.8623 16.8623 17.5191 17.5191 17.5205 17.5205 k = 0.5000 0.2984-0.0000 ( 4272 PWs) bands (ev): -12.5689 -12.5689 -12.5688 -12.5688 -12.5517 -12.5517 -12.5517 -12.5517 -10.0898 -10.0898 -10.0898 -10.0898 -10.0619 -10.0619 -10.0618 -10.0618 -1.1021 -1.1021 -1.1019 -1.1019 -0.9015 -0.9015 -0.9013 -0.9013 0.7230 0.7230 0.7237 0.7237 1.3306 1.3306 1.3311 1.3311 2.2208 2.2208 2.2233 2.2233 2.4816 2.4816 2.4830 2.4830 2.8791 2.8791 2.8801 2.8801 4.1356 4.1356 4.1364 4.1364 4.5563 4.5563 4.5572 4.5572 4.9437 4.9437 4.9465 4.9465 5.6302 5.6302 5.6333 5.6333 5.8448 5.8448 5.8455 5.8455 16.2140 16.2140 16.2144 16.2144 16.8362 16.8362 16.8369 16.8369 17.5326 17.5326 17.5339 17.5339 k = 0.5000 0.3072-0.0000 ( 4272 PWs) bands (ev): -12.5677 -12.5677 -12.5677 -12.5677 -12.5508 -12.5508 -12.5508 -12.5508 -10.0915 -10.0915 -10.0915 -10.0915 -10.0634 -10.0634 -10.0634 -10.0634 -1.0983 -1.0983 -1.0982 -1.0982 -0.9044 -0.9044 -0.9043 -0.9043 0.7186 0.7186 0.7190 0.7190 1.3228 1.3228 1.3231 1.3231 2.2407 2.2407 2.2427 2.2427 2.4662 2.4662 2.4675 2.4675 2.8841 2.8841 2.8848 2.8848 4.1386 4.1386 4.1391 4.1391 4.5616 4.5616 4.5622 4.5622 4.9456 4.9456 4.9475 4.9475 5.6350 5.6350 5.6372 5.6372 5.8383 5.8383 5.8387 5.8387 16.2407 16.2407 16.2410 16.2410 16.8148 16.8148 16.8153 16.8153 17.5462 17.5462 17.5473 17.5473 k = 0.5000 0.3160-0.0000 ( 4268 PWs) bands (ev): -12.5670 -12.5670 -12.5670 -12.5670 -12.5502 -12.5502 -12.5502 -12.5502 -10.0926 -10.0926 -10.0926 -10.0926 -10.0643 -10.0643 -10.0643 -10.0643 -1.0959 -1.0959 -1.0958 -1.0958 -0.9063 -0.9063 -0.9062 -0.9062 0.7159 0.7159 0.7162 0.7162 1.3181 1.3181 1.3182 1.3182 2.2550 2.2550 2.2561 2.2561 2.4550 2.4550 2.4558 2.4558 2.8875 2.8875 2.8878 2.8878 4.1404 4.1404 4.1407 4.1407 4.5649 4.5649 4.5652 4.5652 4.9470 4.9470 4.9479 4.9479 5.6385 5.6385 5.6395 5.6395 5.8341 5.8341 5.8343 5.8343 16.2585 16.2585 16.2586 16.2586 16.8003 16.8003 16.8006 16.8006 17.5577 17.5577 17.5585 17.5585 k = 0.5000 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.5668 -12.5668 -12.5668 -12.5668 -12.5500 -12.5500 -12.5500 -12.5500 -10.0929 -10.0929 -10.0929 -10.0929 -10.0646 -10.0646 -10.0646 -10.0646 -1.0951 -1.0951 -1.0951 -1.0951 -0.9069 -0.9069 -0.9069 -0.9069 0.7151 0.7151 0.7151 0.7151 1.3166 1.3166 1.3166 1.3166 2.2606 2.2606 2.2606 2.2606 2.4511 2.4511 2.4511 2.4511 2.8887 2.8887 2.8887 2.8887 4.1412 4.1412 4.1412 4.1412 4.5660 4.5660 4.5660 4.5660 4.9478 4.9478 4.9478 4.9478 5.6400 5.6400 5.6400 5.6400 5.8327 5.8327 5.8327 5.8327 16.2648 16.2648 16.2648 16.2648 16.7952 16.7952 16.7952 16.7952 17.5629 17.5629 17.5629 17.5629 k = 0.5000 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.5668 -12.5668 -12.5668 -12.5668 -12.5500 -12.5500 -12.5500 -12.5500 -10.0929 -10.0929 -10.0929 -10.0929 -10.0646 -10.0646 -10.0646 -10.0646 -1.0951 -1.0951 -1.0951 -1.0951 -0.9069 -0.9069 -0.9069 -0.9069 0.7151 0.7151 0.7151 0.7151 1.3166 1.3166 1.3166 1.3166 2.2606 2.2606 2.2606 2.2606 2.4511 2.4511 2.4511 2.4511 2.8887 2.8887 2.8887 2.8887 4.1412 4.1412 4.1412 4.1412 4.5660 4.5660 4.5660 4.5660 4.9478 4.9478 4.9478 4.9478 5.6400 5.6400 5.6400 5.6400 5.8327 5.8327 5.8327 5.8327 16.2648 16.2648 16.2648 16.2648 16.7952 16.7952 16.7952 16.7952 17.5629 17.5629 17.5629 17.5629 k = 0.4911 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.5718 -12.5718 -12.5717 -12.5717 -12.5460 -12.5460 -12.5459 -12.5459 -10.0934 -10.0934 -10.0933 -10.0933 -10.0651 -10.0651 -10.0650 -10.0650 -1.0993 -1.0993 -1.0993 -1.0993 -0.9014 -0.9014 -0.9014 -0.9014 0.7158 0.7158 0.7158 0.7158 1.3177 1.3177 1.3177 1.3177 2.2583 2.2583 2.2604 2.2604 2.4525 2.4525 2.4535 2.4535 2.8894 2.8894 2.8906 2.8906 4.1413 4.1413 4.1417 4.1417 4.5657 4.5657 4.5658 4.5658 4.9477 4.9477 4.9482 4.9482 5.6401 5.6401 5.6403 5.6403 5.8324 5.8324 5.8328 5.8328 16.2659 16.2659 16.2660 16.2660 16.7962 16.7962 16.7963 16.7963 17.5441 17.5441 17.5445 17.5445 k = 0.4821 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.5815 -12.5815 -12.5815 -12.5815 -12.5391 -12.5391 -12.5390 -12.5390 -10.0945 -10.0945 -10.0943 -10.0943 -10.0667 -10.0667 -10.0665 -10.0665 -1.1108 -1.1108 -1.1108 -1.1108 -0.8862 -0.8862 -0.8862 -0.8862 0.7178 0.7178 0.7179 0.7179 1.3210 1.3210 1.3211 1.3211 2.2540 2.2540 2.2580 2.2580 2.4577 2.4577 2.4596 2.4596 2.8926 2.8926 2.8951 2.8951 4.1421 4.1421 4.1429 4.1429 4.5649 4.5649 4.5650 4.5650 4.9478 4.9478 4.9489 4.9489 5.6404 5.6404 5.6409 5.6409 5.8319 5.8319 5.8326 5.8326 16.2693 16.2693 16.2695 16.2695 16.7992 16.7992 16.7994 16.7994 17.5096 17.5096 17.5102 17.5102 k = 0.4732 0.3248-0.0000 ( 4260 PWs) bands (ev): -12.5931 -12.5931 -12.5930 -12.5930 -12.5323 -12.5323 -12.5322 -12.5322 -10.0965 -10.0965 -10.0962 -10.0962 -10.0693 -10.0693 -10.0689 -10.0689 -1.1270 -1.1270 -1.1270 -1.1270 -0.8639 -0.8639 -0.8638 -0.8638 0.7211 0.7211 0.7212 0.7212 1.3266 1.3266 1.3266 1.3266 2.2480 2.2480 2.2536 2.2536 2.4663 2.4663 2.4688 2.4688 2.8985 2.8985 2.9021 2.9021 4.1435 4.1435 4.1448 4.1448 4.5635 4.5635 4.5636 4.5636 4.9483 4.9483 4.9500 4.9500 5.6411 5.6411 5.6419 5.6419 5.8311 5.8311 5.8322 5.8322 16.2750 16.2750 16.2753 16.2753 16.8043 16.8043 16.8046 16.8046 17.4729 17.4729 17.4736 17.4736 k = 0.4643 0.3248-0.0000 ( 4260 PWs) bands (ev): -12.6058 -12.6058 -12.6057 -12.6057 -12.5263 -12.5263 -12.5261 -12.5261 -10.0993 -10.0993 -10.0988 -10.0988 -10.0728 -10.0728 -10.0723 -10.0723 -1.1458 -1.1458 -1.1458 -1.1458 -0.8365 -0.8365 -0.8364 -0.8364 0.7257 0.7257 0.7258 0.7258 1.3343 1.3343 1.3344 1.3344 2.2411 2.2411 2.2480 2.2480 2.4778 2.4778 2.4808 2.4808 2.9069 2.9069 2.9116 2.9116 4.1456 4.1456 4.1473 4.1473 4.5615 4.5615 4.5617 4.5617 4.9491 4.9491 4.9513 4.9513 5.6421 5.6421 5.6431 5.6431 5.8300 5.8300 5.8315 5.8315 16.2830 16.2830 16.2833 16.2833 16.8113 16.8113 16.8117 16.8117 17.4365 17.4365 17.4373 17.4373 k = 0.4554 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.6195 -12.6195 -12.6194 -12.6194 -12.5211 -12.5211 -12.5209 -12.5209 -10.1029 -10.1029 -10.1023 -10.1023 -10.0772 -10.0772 -10.0765 -10.0765 -1.1660 -1.1660 -1.1660 -1.1660 -0.8054 -0.8054 -0.8054 -0.8054 0.7314 0.7314 0.7316 0.7316 1.3441 1.3441 1.3442 1.3442 2.2336 2.2336 2.2416 2.2416 2.4918 2.4918 2.4950 2.4950 2.9179 2.9179 2.9236 2.9236 4.1482 4.1482 4.1503 4.1503 4.5591 4.5591 4.5593 4.5593 4.9503 4.9503 4.9530 4.9530 5.6435 5.6435 5.6447 5.6447 5.8287 5.8287 5.8305 5.8305 16.2930 16.2930 16.2935 16.2935 16.8203 16.8203 16.8207 16.8207 17.4010 17.4011 17.4019 17.4019 k = 0.4464 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.6341 -12.6341 -12.6340 -12.6340 -12.5168 -12.5168 -12.5166 -12.5166 -10.1074 -10.1074 -10.1067 -10.1067 -10.0824 -10.0824 -10.0815 -10.0815 -1.1866 -1.1866 -1.1866 -1.1866 -0.7716 -0.7716 -0.7715 -0.7715 0.7382 0.7382 0.7385 0.7385 1.3559 1.3559 1.3559 1.3559 2.2263 2.2263 2.2351 2.2351 2.5079 2.5079 2.5111 2.5111 2.9315 2.9315 2.9383 2.9383 4.1512 4.1512 4.1538 4.1538 4.5562 4.5562 4.5564 4.5564 4.9519 4.9519 4.9551 4.9551 5.6452 5.6452 5.6466 5.6466 5.8272 5.8272 5.8293 5.8293 16.3051 16.3051 16.3057 16.3057 16.8310 16.8310 16.8315 16.8315 17.3668 17.3668 17.3677 17.3677 k = 0.4375 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.6495 -12.6495 -12.6495 -12.6495 -12.5134 -12.5134 -12.5133 -12.5133 -10.1129 -10.1129 -10.1120 -10.1120 -10.0882 -10.0882 -10.0872 -10.0872 -1.2074 -1.2074 -1.2074 -1.2074 -0.7355 -0.7355 -0.7354 -0.7354 0.7460 0.7460 0.7463 0.7463 1.3695 1.3695 1.3695 1.3695 2.2195 2.2195 2.2289 2.2289 2.5259 2.5259 2.5290 2.5290 2.9477 2.9477 2.9554 2.9554 4.1547 4.1547 4.1578 4.1578 4.5528 4.5528 4.5530 4.5530 4.9539 4.9539 4.9576 4.9576 5.6471 5.6471 5.6488 5.6488 5.8253 5.8253 5.8278 5.8278 16.3191 16.3191 16.3198 16.3198 16.8434 16.8434 16.8441 16.8441 17.3337 17.3337 17.3348 17.3348 k = 0.4286 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.6658 -12.6658 -12.6657 -12.6657 -12.5110 -12.5110 -12.5108 -12.5108 -10.1195 -10.1195 -10.1185 -10.1185 -10.0945 -10.0945 -10.0934 -10.0934 -1.2280 -1.2280 -1.2280 -1.2280 -0.6974 -0.6974 -0.6972 -0.6972 0.7545 0.7545 0.7549 0.7549 1.3848 1.3848 1.3848 1.3848 2.2137 2.2137 2.2236 2.2236 2.5456 2.5456 2.5485 2.5485 2.9666 2.9666 2.9751 2.9751 4.1585 4.1585 4.1621 4.1621 4.5491 4.5491 4.5492 4.5492 4.9563 4.9563 4.9606 4.9606 5.6494 5.6494 5.6513 5.6513 5.8232 5.8232 5.8260 5.8260 16.3349 16.3349 16.3356 16.3356 16.8574 16.8574 16.8582 16.8582 17.3019 17.3019 17.3029 17.3029 k = 0.4196 0.3248-0.0000 ( 4272 PWs) bands (ev): -12.6828 -12.6828 -12.6827 -12.6827 -12.5095 -12.5095 -12.5093 -12.5093 -10.1272 -10.1272 -10.1261 -10.1261 -10.1013 -10.1013 -10.1000 -10.1000 -1.2483 -1.2483 -1.2483 -1.2483 -0.6575 -0.6575 -0.6574 -0.6574 0.7637 0.7637 0.7642 0.7642 1.4016 1.4016 1.4017 1.4017 2.2093 2.2093 2.2195 2.2195 2.5668 2.5668 2.5695 2.5695 2.9881 2.9881 2.9973 2.9973 4.1626 4.1626 4.1666 4.1666 4.5450 4.5450 4.5450 4.5450 4.9593 4.9593 4.9640 4.9640 5.6520 5.6520 5.6542 5.6542 5.8208 5.8208 5.8240 5.8240 16.3521 16.3521 16.3530 16.3530 16.8728 16.8728 16.8736 16.8736 17.2711 17.2711 17.2722 17.2722 k = 0.4107 0.3248-0.0000 ( 4268 PWs) bands (ev): -12.7005 -12.7005 -12.7004 -12.7004 -12.5089 -12.5089 -12.5087 -12.5087 -10.1361 -10.1361 -10.1349 -10.1349 -10.1083 -10.1083 -10.1069 -10.1069 -1.2683 -1.2683 -1.2683 -1.2683 -0.6161 -0.6161 -0.6159 -0.6159 0.7734 0.7734 0.7739 0.7739 1.4198 1.4198 1.4198 1.4198 2.2065 2.2065 2.2169 2.2169 2.5896 2.5896 2.5921 2.5921 3.0121 3.0121 3.0220 3.0220 4.1668 4.1668 4.1714 4.1714 4.5406 4.5406 4.5406 4.5406 4.9627 4.9627 4.9679 4.9679 5.6550 5.6550 5.6573 5.6573 5.8181 5.8181 5.8216 5.8216 16.3707 16.3707 16.3717 16.3717 16.8894 16.8894 16.8903 16.8903 17.2414 17.2414 17.2425 17.2425 k = 0.4018 0.3248-0.0000 ( 4260 PWs) bands (ev): -12.7188 -12.7188 -12.7187 -12.7187 -12.5092 -12.5092 -12.5090 -12.5090 -10.1461 -10.1461 -10.1449 -10.1449 -10.1156 -10.1156 -10.1142 -10.1142 -1.2880 -1.2880 -1.2879 -1.2879 -0.5732 -0.5732 -0.5730 -0.5730 0.7832 0.7832 0.7839 0.7839 1.4392 1.4392 1.4392 1.4392 2.2058 2.2058 2.2164 2.2164 2.6140 2.6140 2.6162 2.6162 3.0388 3.0388 3.0492 3.0492 4.1711 4.1711 4.1762 4.1762 4.5359 4.5359 4.5361 4.5361 4.9667 4.9667 4.9723 4.9723 5.6582 5.6582 5.6608 5.6608 5.8152 5.8152 5.8189 5.8189 16.3902 16.3902 16.3914 16.3914 16.9070 16.9070 16.9081 16.9081 17.2126 17.2126 17.2137 17.2137 k = 0.3929 0.3248-0.0000 ( 4262 PWs) bands (ev): -12.7377 -12.7377 -12.7377 -12.7377 -12.5103 -12.5103 -12.5101 -12.5101 -10.1572 -10.1572 -10.1560 -10.1560 -10.1231 -10.1231 -10.1217 -10.1217 -1.3073 -1.3073 -1.3073 -1.3073 -0.5290 -0.5290 -0.5288 -0.5288 0.7931 0.7931 0.7938 0.7938 1.4595 1.4595 1.4596 1.4596 2.2075 2.2075 2.2181 2.2181 2.6401 2.6401 2.6420 2.6420 3.0679 3.0679 3.0788 3.0788 4.1754 4.1754 4.1811 4.1811 4.5311 4.5311 4.5314 4.5314 4.9711 4.9711 4.9771 4.9771 5.6618 5.6618 5.6645 5.6645 5.8118 5.8118 5.8159 5.8159 16.4105 16.4105 16.4117 16.4117 16.9254 16.9254 16.9266 16.9266 17.1848 17.1848 17.1858 17.1858 k = 0.3839 0.3248-0.0000 ( 4260 PWs) bands (ev): -12.7572 -12.7572 -12.7572 -12.7572 -12.5123 -12.5123 -12.5121 -12.5121 -10.1693 -10.1693 -10.1682 -10.1682 -10.1309 -10.1309 -10.1295 -10.1295 -1.3263 -1.3263 -1.3263 -1.3263 -0.4837 -0.4837 -0.4834 -0.4834 0.8028 0.8028 0.8036 0.8036 1.4807 1.4807 1.4807 1.4807 2.2118 2.2118 2.2223 2.2223 2.6678 2.6678 2.6695 2.6695 3.0995 3.0995 3.1107 3.1107 4.1797 4.1797 4.1860 4.1860 4.5262 4.5262 4.5266 4.5266 4.9761 4.9761 4.9825 4.9825 5.6657 5.6657 5.6686 5.6686 5.8082 5.8082 5.8126 5.8126 16.4309 16.4309 16.4323 16.4323 16.9443 16.9443 16.9456 16.9456 17.1578 17.1578 17.1588 17.1588 k = 0.3750 0.3248-0.0000 ( 4252 PWs) bands (ev): -12.7773 -12.7773 -12.7772 -12.7772 -12.5150 -12.5150 -12.5149 -12.5149 -10.1824 -10.1824 -10.1813 -10.1813 -10.1389 -10.1389 -10.1376 -10.1376 -1.3450 -1.3450 -1.3450 -1.3450 -0.4372 -0.4372 -0.4370 -0.4370 0.8121 0.8121 0.8130 0.8130 1.5025 1.5025 1.5025 1.5025 2.2190 2.2190 2.2295 2.2295 2.6974 2.6974 2.6988 2.6988 3.1335 3.1335 3.1450 3.1450 4.1840 4.1840 4.1908 4.1908 4.5214 4.5214 4.5220 4.5220 4.9815 4.9815 4.9882 4.9882 5.6700 5.6700 5.6730 5.6730 5.8043 5.8043 5.8089 5.8089 16.4512 16.4512 16.4527 16.4527 16.9635 16.9635 16.9649 16.9649 17.1317 17.1317 17.1326 17.1326 k = 0.3661 0.3248-0.0000 ( 4250 PWs) bands (ev): -12.7977 -12.7977 -12.7977 -12.7977 -12.5185 -12.5185 -12.5184 -12.5184 -10.1963 -10.1963 -10.1952 -10.1952 -10.1473 -10.1473 -10.1460 -10.1460 -1.3635 -1.3635 -1.3635 -1.3635 -0.3898 -0.3898 -0.3896 -0.3896 0.8206 0.8206 0.8217 0.8217 1.5247 1.5247 1.5248 1.5248 2.2294 2.2294 2.2397 2.2397 2.7288 2.7288 2.7300 2.7300 3.1698 3.1698 3.1816 3.1816 4.1881 4.1881 4.1956 4.1956 4.5167 4.5167 4.5176 4.5176 4.9873 4.9873 4.9944 4.9944 5.6746 5.6746 5.6777 5.6777 5.8000 5.8000 5.8049 5.8049 16.4706 16.4706 16.4723 16.4723 16.9826 16.9826 16.9841 16.9841 17.1065 17.1065 17.1073 17.1073 k = 0.3571 0.3248-0.0000 ( 4258 PWs) bands (ev): -12.8186 -12.8186 -12.8185 -12.8185 -12.5228 -12.5228 -12.5226 -12.5226 -10.2109 -10.2109 -10.2100 -10.2100 -10.1560 -10.1560 -10.1547 -10.1547 -1.3818 -1.3818 -1.3818 -1.3818 -0.3417 -0.3417 -0.3414 -0.3414 0.8283 0.8283 0.8295 0.8295 1.5473 1.5473 1.5474 1.5474 2.2431 2.2431 2.2532 2.2532 2.7622 2.7622 2.7632 2.7632 3.2084 3.2084 3.2204 3.2204 4.1921 4.1921 4.2002 4.2002 4.5124 4.5124 4.5135 4.5135 4.9935 4.9935 5.0009 5.0009 5.6795 5.6795 5.6828 5.6828 5.7953 5.7953 5.8005 5.8005 16.4885 16.4885 16.4904 16.4904 17.0012 17.0012 17.0029 17.0029 17.0823 17.0823 17.0830 17.0830 k = 0.3482 0.3248-0.0000 ( 4254 PWs) bands (ev): -12.8398 -12.8398 -12.8398 -12.8398 -12.5277 -12.5277 -12.5275 -12.5275 -10.2263 -10.2263 -10.2254 -10.2254 -10.1649 -10.1649 -10.1637 -10.1637 -1.3999 -1.3999 -1.3998 -1.3998 -0.2929 -0.2929 -0.2926 -0.2926 0.8349 0.8349 0.8362 0.8362 1.5701 1.5701 1.5701 1.5701 2.2602 2.2602 2.2701 2.2701 2.7976 2.7976 2.7984 2.7984 3.2492 3.2492 3.2613 3.2613 4.1959 4.1959 4.2047 4.2047 4.5085 4.5085 4.5099 4.5099 5.0001 5.0001 5.0077 5.0077 5.6848 5.6848 5.6882 5.6882 5.7903 5.7903 5.7958 5.7958 16.5040 16.5040 16.5061 16.5061 17.0190 17.0190 17.0209 17.0209 17.0597 17.0597 17.0602 17.0602 k = 0.3393 0.3248-0.0000 ( 4254 PWs) bands (ev): -12.8613 -12.8613 -12.8613 -12.8613 -12.5333 -12.5333 -12.5331 -12.5331 -10.2422 -10.2422 -10.2414 -10.2414 -10.1742 -10.1742 -10.1730 -10.1730 -1.4178 -1.4178 -1.4178 -1.4178 -0.2436 -0.2436 -0.2432 -0.2432 0.8402 0.8402 0.8417 0.8417 1.5929 1.5929 1.5930 1.5930 2.2809 2.2809 2.2905 2.2905 2.8351 2.8351 2.8357 2.8357 3.2920 3.2920 3.3042 3.3042 4.1996 4.1996 4.2090 4.2090 4.5053 4.5053 4.5070 4.5070 5.0069 5.0069 5.0147 5.0147 5.6904 5.6904 5.6940 5.6940 5.7850 5.7850 5.7907 5.7907 16.5163 16.5163 16.5185 16.5185 17.0321 17.0321 17.0342 17.0342 17.0422 17.0422 17.0426 17.0426 k = 0.3304 0.3248-0.0000 ( 4254 PWs) bands (ev): -12.8830 -12.8830 -12.8830 -12.8830 -12.5395 -12.5395 -12.5393 -12.5393 -10.2587 -10.2587 -10.2579 -10.2579 -10.1837 -10.1837 -10.1826 -10.1826 -1.4356 -1.4356 -1.4355 -1.4355 -0.1939 -0.1939 -0.1935 -0.1935 0.8442 0.8442 0.8458 0.8458 1.6158 1.6158 1.6159 1.6159 2.3051 2.3051 2.3145 2.3145 2.8748 2.8748 2.8752 2.8752 3.3368 3.3368 3.3491 3.3491 4.2031 4.2031 4.2131 4.2131 4.5030 4.5030 4.5049 4.5049 5.0139 5.0139 5.0219 5.0219 5.6964 5.6964 5.7001 5.7001 5.7793 5.7793 5.7853 5.7853 16.5241 16.5241 16.5265 16.5265 17.0178 17.0178 17.0186 17.0186 17.0528 17.0528 17.0545 17.0545 k = 0.3214 0.3248-0.0000 ( 4246 PWs) bands (ev): -12.9050 -12.9050 -12.9049 -12.9049 -12.5462 -12.5462 -12.5460 -12.5460 -10.2757 -10.2757 -10.2748 -10.2748 -10.1935 -10.1935 -10.1924 -10.1924 -1.4532 -1.4532 -1.4532 -1.4532 -0.1441 -0.1441 -0.1437 -0.1437 0.8468 0.8468 0.8484 0.8484 1.6387 1.6387 1.6388 1.6388 2.3327 2.3327 2.3419 2.3419 2.9168 2.9168 2.9169 2.9169 3.3834 3.3834 3.3957 3.3957 4.2064 4.2064 4.2170 4.2170 4.5017 4.5017 4.5038 4.5038 5.0210 5.0210 5.0292 5.0292 5.7027 5.7027 5.7065 5.7065 5.7732 5.7732 5.7796 5.7796 16.5264 16.5264 16.5289 16.5289 17.0015 17.0015 17.0022 17.0022 17.0661 17.0661 17.0681 17.0681 k = 0.3125 0.3248-0.0000 ( 4250 PWs) bands (ev): -12.9270 -12.9270 -12.9270 -12.9270 -12.5534 -12.5534 -12.5532 -12.5532 -10.2930 -10.2930 -10.2922 -10.2922 -10.2036 -10.2036 -10.2025 -10.2025 -1.4708 -1.4708 -1.4707 -1.4707 -0.0943 -0.0943 -0.0939 -0.0939 0.8479 0.8479 0.8496 0.8496 1.6615 1.6615 1.6616 1.6616 2.3638 2.3638 2.3727 2.3727 2.9608 2.9608 2.9609 2.9609 3.4317 3.4317 3.4440 3.4440 4.2094 4.2094 4.2206 4.2206 4.5017 4.5017 4.5040 4.5040 5.0282 5.0282 5.0366 5.0366 5.7092 5.7092 5.7133 5.7133 5.7668 5.7668 5.7735 5.7735 16.5222 16.5222 16.5247 16.5247 16.9881 16.9881 16.9887 16.9887 17.0774 17.0774 17.0795 17.0795 k = 0.3036 0.3248-0.0000 ( 4242 PWs) bands (ev): -12.9491 -12.9491 -12.9491 -12.9491 -12.5611 -12.5611 -12.5609 -12.5609 -10.3106 -10.3106 -10.3099 -10.3099 -10.2138 -10.2138 -10.2127 -10.2127 -1.4882 -1.4882 -1.4882 -1.4882 -0.0447 -0.0447 -0.0443 -0.0443 0.8475 0.8475 0.8494 0.8494 1.6842 1.6842 1.6843 1.6843 2.3981 2.3981 2.4067 2.4067 3.0069 3.0069 3.0072 3.0072 3.4816 3.4816 3.4937 3.4937 4.2123 4.2123 4.2240 4.2240 4.5032 4.5032 4.5057 4.5057 5.0354 5.0354 5.0439 5.0439 5.7160 5.7160 5.7203 5.7203 5.7601 5.7601 5.7673 5.7673 16.5106 16.5106 16.5131 16.5131 16.9780 16.9780 16.9786 16.9786 17.0862 17.0862 17.0884 17.0884 k = 0.2946 0.3248-0.0000 ( 4254 PWs) bands (ev): -12.9713 -12.9713 -12.9712 -12.9712 -12.5692 -12.5692 -12.5691 -12.5691 -10.3286 -10.3286 -10.3278 -10.3278 -10.2242 -10.2242 -10.2231 -10.2231 -1.5056 -1.5056 -1.5055 -1.5055 0.0044 0.0044 0.0048 0.0048 0.8458 0.8458 0.8478 0.8478 1.7067 1.7067 1.7068 1.7068 2.4354 2.4354 2.4438 2.4438 3.0552 3.0552 3.0556 3.0556 3.5326 3.5326 3.5448 3.5448 4.2148 4.2148 4.2270 4.2270 4.5065 4.5065 4.5090 4.5090 5.0426 5.0426 5.0512 5.0512 5.7228 5.7228 5.7277 5.7277 5.7530 5.7530 5.7609 5.7609 16.4914 16.4914 16.4938 16.4938 16.9709 16.9709 16.9716 16.9716 17.0919 17.0919 17.0943 17.0943 k = 0.2857 0.3248-0.0000 ( 4254 PWs) bands (ev): -12.9934 -12.9934 -12.9933 -12.9933 -12.5777 -12.5777 -12.5775 -12.5775 -10.3467 -10.3467 -10.3460 -10.3460 -10.2348 -10.2348 -10.2337 -10.2337 -1.5228 -1.5228 -1.5227 -1.5227 0.0529 0.0529 0.0533 0.0533 0.8429 0.8429 0.8449 0.8449 1.7290 1.7290 1.7290 1.7290 2.4755 2.4755 2.4838 2.4838 3.1056 3.1056 3.1062 3.1062 3.5848 3.5848 3.5969 3.5969 4.2171 4.2171 4.2297 4.2297 4.5118 4.5118 4.5144 4.5144 5.0497 5.0497 5.0585 5.0585 5.7292 5.7292 5.7352 5.7352 5.7456 5.7456 5.7549 5.7549 16.4647 16.4647 16.4670 16.4670 16.9663 16.9663 16.9671 16.9671 17.0944 17.0944 17.0970 17.0970 k = 0.2768 0.3248-0.0000 ( 4242 PWs) bands (ev): -13.0154 -13.0154 -13.0153 -13.0153 -12.5865 -12.5865 -12.5863 -12.5863 -10.3649 -10.3649 -10.3642 -10.3642 -10.2454 -10.2454 -10.2444 -10.2444 -1.5400 -1.5400 -1.5398 -1.5398 0.1004 0.1004 0.1009 0.1009 0.8388 0.8388 0.8409 0.8409 1.7509 1.7509 1.7510 1.7510 2.5184 2.5184 2.5264 2.5264 3.1580 3.1580 3.1588 3.1588 3.6379 3.6379 3.6498 3.6498 4.2192 4.2192 4.2321 4.2321 4.5195 4.5195 4.5220 4.5220 5.0568 5.0568 5.0656 5.0656 5.7334 5.7334 5.7376 5.7376 5.7434 5.7434 5.7510 5.7510 16.4309 16.4309 16.4331 16.4331 16.9633 16.9633 16.9642 16.9642 17.0934 17.0934 17.0960 17.0960 k = 0.2679 0.3248-0.0000 ( 4246 PWs) bands (ev): -13.0372 -13.0372 -13.0372 -13.0372 -12.5956 -12.5956 -12.5954 -12.5954 -10.3832 -10.3832 -10.3826 -10.3826 -10.2562 -10.2562 -10.2552 -10.2552 -1.5570 -1.5570 -1.5568 -1.5568 0.1469 0.1469 0.1474 0.1474 0.8340 0.8340 0.8361 0.8361 1.7726 1.7726 1.7726 1.7726 2.5636 2.5636 2.5714 2.5714 3.2123 3.2123 3.2133 3.2133 3.6914 3.6914 3.7032 3.7032 4.2210 4.2210 4.2342 4.2342 4.5297 4.5297 4.5319 4.5319 5.0637 5.0637 5.0727 5.0727 5.7297 5.7297 5.7316 5.7316 5.7512 5.7512 5.7529 5.7529 16.3907 16.3907 16.3927 16.3927 16.9610 16.9610 16.9620 16.9620 17.0886 17.0886 17.0913 17.0913 k = 0.2589 0.3248-0.0000 ( 4246 PWs) bands (ev): -13.0589 -13.0589 -13.0589 -13.0589 -12.6049 -12.6049 -12.6047 -12.6047 -10.4015 -10.4015 -10.4009 -10.4009 -10.2670 -10.2670 -10.2660 -10.2660 -1.5738 -1.5738 -1.5737 -1.5737 0.1919 0.1919 0.1924 0.1924 0.8284 0.8284 0.8306 0.8306 1.7937 1.7937 1.7937 1.7937 2.6110 2.6110 2.6187 2.6187 3.2684 3.2684 3.2696 3.2696 3.7451 3.7451 3.7567 3.7567 4.2227 4.2227 4.2361 4.2361 4.5426 4.5426 4.5445 4.5445 5.0707 5.0707 5.0797 5.0797 5.7213 5.7213 5.7254 5.7254 5.7591 5.7591 5.7594 5.7594 16.3449 16.3449 16.3468 16.3468 16.9582 16.9582 16.9594 16.9594 17.0798 17.0798 17.0826 17.0826 k = 0.2500 0.3248-0.0000 ( 4244 PWs) bands (ev): -13.0803 -13.0803 -13.0803 -13.0803 -12.6144 -12.6144 -12.6142 -12.6142 -10.4198 -10.4198 -10.4192 -10.4192 -10.2778 -10.2778 -10.2768 -10.2768 -1.5905 -1.5905 -1.5904 -1.5904 0.2351 0.2351 0.2357 0.2357 0.8226 0.8226 0.8248 0.8248 1.8143 1.8143 1.8144 1.8144 2.6603 2.6603 2.6679 2.6679 3.3261 3.3261 3.3276 3.3276 3.7986 3.7986 3.8100 3.8100 4.2244 4.2244 4.2379 4.2379 4.5584 4.5584 4.5598 4.5598 5.0775 5.0775 5.0866 5.0866 5.7127 5.7127 5.7176 5.7176 5.7667 5.7667 5.7676 5.7676 16.2942 16.2942 16.2959 16.2959 16.9542 16.9542 16.9554 16.9554 17.0670 17.0670 17.0699 17.0699 k = 0.2411 0.3248-0.0000 ( 4236 PWs) bands (ev): -13.1015 -13.1015 -13.1014 -13.1014 -12.6240 -12.6240 -12.6238 -12.6238 -10.4379 -10.4379 -10.4374 -10.4374 -10.2886 -10.2886 -10.2877 -10.2877 -1.6070 -1.6070 -1.6069 -1.6069 0.2764 0.2764 0.2769 0.2769 0.8167 0.8167 0.8189 0.8189 1.8343 1.8343 1.8344 1.8344 2.7115 2.7115 2.7189 2.7189 3.3853 3.3853 3.3870 3.3870 3.8513 3.8513 3.8625 3.8625 4.2264 4.2264 4.2401 4.2401 4.5771 4.5771 4.5780 4.5780 5.0845 5.0845 5.0937 5.0937 5.7037 5.7037 5.7092 5.7092 5.7746 5.7746 5.7758 5.7758 16.2393 16.2393 16.2409 16.2409 16.9480 16.9480 16.9493 16.9493 17.0502 17.0502 17.0531 17.0531 k = 0.2321 0.3248-0.0000 ( 4244 PWs) bands (ev): -13.1223 -13.1223 -13.1222 -13.1222 -12.6337 -12.6337 -12.6335 -12.6335 -10.4559 -10.4559 -10.4554 -10.4554 -10.2993 -10.2993 -10.2984 -10.2984 -1.6234 -1.6234 -1.6232 -1.6232 0.3153 0.3153 0.3158 0.3158 0.8112 0.8112 0.8133 0.8133 1.8537 1.8537 1.8538 1.8538 2.7641 2.7641 2.7715 2.7715 3.4458 3.4458 3.4476 3.4476 3.9026 3.9026 3.9134 3.9134 4.2291 4.2291 4.2429 4.2429 4.5988 4.5988 4.5991 4.5991 5.0915 5.0915 5.1008 5.1008 5.6946 5.6946 5.7004 5.7004 5.7827 5.7827 5.7841 5.7841 16.1808 16.1808 16.1822 16.1822 16.9388 16.9388 16.9402 16.9402 17.0293 17.0293 17.0323 17.0323 k = 0.2232 0.3248-0.0000 ( 4244 PWs) bands (ev): -13.1427 -13.1427 -13.1426 -13.1426 -12.6434 -12.6434 -12.6432 -12.6432 -10.4737 -10.4737 -10.4731 -10.4731 -10.3100 -10.3100 -10.3091 -10.3091 -1.6394 -1.6394 -1.6393 -1.6393 0.3514 0.3514 0.3519 0.3519 0.8064 0.8064 0.8084 0.8084 1.8722 1.8722 1.8724 1.8724 2.8181 2.8181 2.8255 2.8255 3.5072 3.5072 3.5094 3.5094 3.9516 3.9516 3.9620 3.9620 4.2330 4.2330 4.2470 4.2470 4.6231 4.6231 4.6235 4.6235 5.0987 5.0987 5.1081 5.1081 5.6851 5.6851 5.6912 5.6912 5.7908 5.7908 5.7922 5.7922 16.1192 16.1192 16.1205 16.1205 16.9259 16.9259 16.9273 16.9273 17.0046 17.0046 17.0076 17.0076 k = 0.2143 0.3248-0.0000 ( 4252 PWs) bands (ev): -13.1626 -13.1626 -13.1626 -13.1626 -12.6531 -12.6531 -12.6530 -12.6530 -10.4911 -10.4911 -10.4906 -10.4906 -10.3205 -10.3205 -10.3197 -10.3197 -1.6552 -1.6552 -1.6551 -1.6551 0.3843 0.3843 0.3848 0.3848 0.8027 0.8027 0.8047 0.8047 1.8900 1.8900 1.8902 1.8902 2.8732 2.8732 2.8805 2.8805 3.5694 3.5694 3.5718 3.5718 3.9972 3.9972 4.0072 4.0072 4.2392 4.2392 4.2535 4.2535 4.6500 4.6500 4.6510 4.6510 5.1062 5.1062 5.1157 5.1157 5.6755 5.6755 5.6817 5.6817 5.7988 5.7988 5.8002 5.8002 16.0551 16.0551 16.0563 16.0563 16.9083 16.9083 16.9098 16.9098 16.9762 16.9762 16.9792 16.9792 k = 0.2054 0.3248-0.0000 ( 4248 PWs) bands (ev): -13.1821 -13.1821 -13.1821 -13.1821 -12.6628 -12.6628 -12.6627 -12.6627 -10.5083 -10.5083 -10.5078 -10.5078 -10.3309 -10.3309 -10.3301 -10.3301 -1.6707 -1.6707 -1.6705 -1.6705 0.4136 0.4136 0.4140 0.4140 0.8008 0.8008 0.8026 0.8026 1.9069 1.9069 1.9071 1.9071 2.9292 2.9292 2.9365 2.9365 3.6321 3.6321 3.6347 3.6347 4.0380 4.0380 4.0473 4.0473 4.2488 4.2488 4.2635 4.2635 4.6795 4.6795 4.6813 4.6813 5.1142 5.1142 5.1238 5.1238 5.6656 5.6656 5.6721 5.6721 5.8066 5.8066 5.8079 5.8079 15.9890 15.9890 15.9901 15.9901 16.8845 16.8845 16.8861 16.8861 16.9444 16.9444 16.9474 16.9474 k = 0.1964 0.3248-0.0000 ( 4246 PWs) bands (ev): -13.2011 -13.2011 -13.2011 -13.2011 -12.6724 -12.6724 -12.6722 -12.6722 -10.5251 -10.5251 -10.5246 -10.5246 -10.3411 -10.3411 -10.3404 -10.3404 -1.6859 -1.6859 -1.6857 -1.6857 0.4389 0.4389 0.4393 0.4393 0.8009 0.8009 0.8026 0.8026 1.9230 1.9230 1.9232 1.9232 2.9859 2.9859 2.9932 2.9932 3.6948 3.6948 3.6977 3.6977 4.0723 4.0723 4.0811 4.0811 4.2634 4.2634 4.2786 4.2786 4.7115 4.7115 4.7140 4.7140 5.1228 5.1228 5.1326 5.1326 5.6556 5.6556 5.6622 5.6622 5.8142 5.8142 5.8154 5.8154 15.9214 15.9214 15.9225 15.9225 16.8519 16.8519 16.8536 16.8536 16.9095 16.9095 16.9124 16.9124 k = 0.1875 0.3248-0.0000 ( 4254 PWs) bands (ev): -13.2195 -13.2195 -13.2195 -13.2195 -12.6819 -12.6819 -12.6817 -12.6817 -10.5415 -10.5415 -10.5410 -10.5410 -10.3511 -10.3511 -10.3504 -10.3504 -1.7006 -1.7006 -1.7005 -1.7005 0.4599 0.4599 0.4601 0.4601 0.8035 0.8035 0.8051 0.8051 1.9381 1.9381 1.9383 1.9383 3.0431 3.0431 3.0504 3.0504 3.7571 3.7571 3.7603 3.7603 4.0992 4.0992 4.1075 4.1075 4.2840 4.2840 4.2996 4.2996 4.7457 4.7457 4.7489 4.7489 5.1322 5.1322 5.1421 5.1421 5.6455 5.6455 5.6521 5.6521 5.8214 5.8214 5.8225 5.8225 15.8528 15.8528 15.8537 15.8537 16.8070 16.8070 16.8085 16.8085 16.8718 16.8718 16.8745 16.8745 k = 0.1786 0.3248-0.0000 ( 4250 PWs) bands (ev): -13.2374 -13.2374 -13.2373 -13.2373 -12.6912 -12.6912 -12.6910 -12.6910 -10.5574 -10.5574 -10.5570 -10.5570 -10.3609 -10.3609 -10.3602 -10.3602 -1.7150 -1.7150 -1.7148 -1.7148 0.4763 0.4763 0.4764 0.4764 0.8087 0.8087 0.8102 0.8102 1.9522 1.9522 1.9525 1.9525 3.1005 3.1005 3.1079 3.1079 3.8183 3.8183 3.8219 3.8219 4.1191 4.1191 4.1272 4.1272 4.3103 4.3103 4.3260 4.3260 4.7817 4.7817 4.7856 4.7856 5.1427 5.1427 5.1527 5.1527 5.6353 5.6353 5.6420 5.6420 5.8283 5.8283 5.8293 5.8293 15.7835 15.7835 15.7844 15.7844 16.7480 16.7480 16.7494 16.7494 16.8315 16.8315 16.8340 16.8340 k = 0.1696 0.3248-0.0000 ( 4248 PWs) bands (ev): -13.2545 -13.2545 -13.2545 -13.2545 -12.7002 -12.7002 -12.7001 -12.7001 -10.5728 -10.5728 -10.5724 -10.5724 -10.3704 -10.3704 -10.3697 -10.3697 -1.7289 -1.7289 -1.7287 -1.7287 0.4883 0.4883 0.4883 0.4883 0.8166 0.8166 0.8179 0.8179 1.9654 1.9654 1.9657 1.9657 3.1580 3.1580 3.1654 3.1654 3.8774 3.8774 3.8813 3.8813 4.1345 4.1345 4.1424 4.1424 4.3404 4.3404 4.3561 4.3561 4.8191 4.8191 4.8235 4.8235 5.1544 5.1544 5.1645 5.1645 5.6250 5.6250 5.6317 5.6317 5.8348 5.8348 5.8355 5.8355 15.7141 15.7141 15.7149 15.7149 16.6788 16.6788 16.6799 16.6799 16.7892 16.7892 16.7916 16.7916 k = 0.1607 0.3248-0.0000 ( 4236 PWs) bands (ev): -13.2711 -13.2711 -13.2710 -13.2710 -12.7091 -12.7091 -12.7090 -12.7090 -10.5876 -10.5876 -10.5873 -10.5873 -10.3795 -10.3795 -10.3789 -10.3789 -1.7424 -1.7424 -1.7422 -1.7422 0.4961 0.4961 0.4962 0.4962 0.8269 0.8269 0.8280 0.8280 1.9777 1.9777 1.9780 1.9780 3.2153 3.2153 3.2228 3.2228 3.9330 3.9330 3.9370 3.9370 4.1485 4.1485 4.1563 4.1563 4.3724 4.3724 4.3881 4.3881 4.8572 4.8572 4.8622 4.8622 5.1676 5.1676 5.1777 5.1777 5.6147 5.6147 5.6215 5.6215 5.8407 5.8407 5.8414 5.8414 15.6450 15.6450 15.6457 15.6457 16.6046 16.6046 16.6054 16.6054 16.7455 16.7455 16.7478 16.7478 k = 0.1518 0.3248-0.0000 ( 4240 PWs) bands (ev): -13.2869 -13.2869 -13.2869 -13.2869 -12.7176 -12.7176 -12.7175 -12.7175 -10.6019 -10.6019 -10.6016 -10.6016 -10.3884 -10.3884 -10.3878 -10.3878 -1.7553 -1.7553 -1.7551 -1.7551 0.5004 0.5004 0.5006 0.5006 0.8391 0.8391 0.8399 0.8399 1.9890 1.9890 1.9893 1.9893 3.2723 3.2723 3.2798 3.2798 3.9823 3.9823 3.9861 3.9861 4.1653 4.1653 4.1726 4.1726 4.4045 4.4045 4.4202 4.4202 4.8956 4.8956 4.9011 4.9011 5.1824 5.1824 5.1925 5.1925 5.6046 5.6046 5.6114 5.6114 5.8462 5.8462 5.8466 5.8466 15.5766 15.5766 15.5773 15.5773 16.5287 16.5287 16.5293 16.5293 16.7007 16.7007 16.7029 16.7029 k = 0.1429 0.3248-0.0000 ( 4240 PWs) bands (ev): -13.3020 -13.3020 -13.3019 -13.3019 -12.7259 -12.7259 -12.7258 -12.7258 -10.6156 -10.6156 -10.6152 -10.6152 -10.3969 -10.3969 -10.3963 -10.3963 -1.7677 -1.7677 -1.7675 -1.7675 0.5017 0.5017 0.5021 0.5021 0.8525 0.8525 0.8532 0.8532 1.9994 1.9994 1.9996 1.9996 3.3285 3.3285 3.3361 3.3361 4.0220 4.0220 4.0248 4.0248 4.1895 4.1895 4.1955 4.1955 4.4357 4.4357 4.4513 4.4513 4.9336 4.9336 4.9394 4.9394 5.1990 5.1990 5.2090 5.2090 5.5947 5.5947 5.6014 5.6014 5.8511 5.8511 5.8514 5.8514 15.5093 15.5093 15.5099 15.5099 16.4531 16.4531 16.4536 16.4536 16.6554 16.6554 16.6574 16.6574 k = 0.1339 0.3248-0.0000 ( 4236 PWs) bands (ev): -13.3163 -13.3163 -13.3163 -13.3163 -12.7338 -12.7338 -12.7337 -12.7337 -10.6285 -10.6285 -10.6282 -10.6282 -10.4050 -10.4050 -10.4044 -10.4044 -1.7795 -1.7795 -1.7793 -1.7793 0.5009 0.5009 0.5013 0.5013 0.8667 0.8667 0.8673 0.8673 2.0088 2.0088 2.0091 2.0091 3.3839 3.3839 3.3916 3.3916 4.0495 4.0495 4.0505 4.0505 4.2239 4.2239 4.2277 4.2277 4.4652 4.4652 4.4808 4.4808 4.9707 4.9707 4.9768 4.9768 5.2174 5.2174 5.2272 5.2272 5.5851 5.5851 5.5917 5.5917 5.8554 5.8554 5.8555 5.8555 15.4436 15.4436 15.4441 15.4441 16.3789 16.3789 16.3792 16.3792 16.6099 16.6099 16.6119 16.6119 k = 0.1250 0.3248-0.0000 ( 4236 PWs) bands (ev): -13.3298 -13.3298 -13.3298 -13.3298 -12.7413 -12.7413 -12.7412 -12.7412 -10.6408 -10.6408 -10.6406 -10.6406 -10.4127 -10.4127 -10.4121 -10.4121 -1.7907 -1.7907 -1.7906 -1.7906 0.4984 0.4984 0.4988 0.4988 0.8812 0.8812 0.8816 0.8816 2.0174 2.0174 2.0177 2.0177 3.4382 3.4382 3.4459 3.4459 4.0652 4.0652 4.0659 4.0659 4.2666 4.2666 4.2684 4.2684 4.4928 4.4928 4.5084 4.5084 5.0065 5.0065 5.0126 5.0126 5.2372 5.2372 5.2467 5.2467 5.5762 5.5762 5.5827 5.5827 5.8591 5.8591 5.8591 5.8591 15.3798 15.3798 15.3803 15.3803 16.3067 16.3067 16.3070 16.3070 16.5648 16.5648 16.5667 16.5667 k = 0.1161 0.3248-0.0000 ( 4230 PWs) bands (ev): -13.3425 -13.3425 -13.3425 -13.3425 -12.7485 -12.7485 -12.7484 -12.7484 -10.6524 -10.6524 -10.6522 -10.6522 -10.4199 -10.4199 -10.4194 -10.4194 -1.8013 -1.8013 -1.8011 -1.8011 0.4948 0.4948 0.4952 0.4952 0.8955 0.8955 0.8958 0.8958 2.0252 2.0252 2.0255 2.0255 3.4910 3.4910 3.4988 3.4988 4.0726 4.0726 4.0746 4.0746 4.3136 4.3136 4.3136 4.3136 4.5184 4.5184 4.5340 4.5340 5.0404 5.0404 5.0466 5.0466 5.2581 5.2581 5.2673 5.2673 5.5683 5.5683 5.5744 5.5744 5.8620 5.8620 5.8623 5.8623 15.3184 15.3184 15.3189 15.3189 16.2373 16.2373 16.2375 16.2375 16.5205 16.5205 16.5223 16.5223 k = 0.1071 0.3248-0.0000 ( 4230 PWs) bands (ev): -13.3544 -13.3544 -13.3544 -13.3544 -12.7552 -12.7552 -12.7551 -12.7551 -10.6633 -10.6633 -10.6630 -10.6630 -10.4267 -10.4267 -10.4263 -10.4263 -1.8112 -1.8112 -1.8110 -1.8110 0.4904 0.4904 0.4908 0.4908 0.9093 0.9093 0.9096 0.9096 2.0322 2.0322 2.0324 2.0324 3.5422 3.5422 3.5500 3.5500 4.0758 4.0758 4.0787 4.0787 4.3599 4.3599 4.3613 4.3613 4.5423 4.5423 4.5579 4.5579 5.0724 5.0724 5.0785 5.0785 5.2791 5.2791 5.2880 5.2880 5.5617 5.5617 5.5674 5.5674 5.8644 5.8644 5.8648 5.8648 15.2597 15.2597 15.2601 15.2601 16.1709 16.1709 16.1711 16.1711 16.4775 16.4775 16.4791 16.4791 k = 0.0982 0.3248-0.0000 ( 4218 PWs) bands (ev): -13.3654 -13.3654 -13.3653 -13.3653 -12.7614 -12.7614 -12.7614 -12.7614 -10.6733 -10.6733 -10.6731 -10.6731 -10.4331 -10.4331 -10.4327 -10.4327 -1.8204 -1.8204 -1.8202 -1.8202 0.4856 0.4856 0.4860 0.4860 0.9224 0.9224 0.9226 0.9226 2.0384 2.0384 2.0386 2.0386 3.5914 3.5914 3.5992 3.5992 4.0765 4.0765 4.0801 4.0801 4.4047 4.4047 4.4072 4.4072 4.5651 4.5651 4.5805 4.5805 5.1023 5.1023 5.1084 5.1084 5.2992 5.2992 5.3079 5.3079 5.5571 5.5571 5.5623 5.5623 5.8662 5.8662 5.8668 5.8668 15.2041 15.2041 15.2045 15.2045 16.1082 16.1082 16.1083 16.1083 16.4362 16.4362 16.4377 16.4377 k = 0.0893 0.3248-0.0000 ( 4226 PWs) bands (ev): -13.3755 -13.3755 -13.3755 -13.3755 -12.7673 -12.7673 -12.7672 -12.7672 -10.6826 -10.6826 -10.6824 -10.6824 -10.4389 -10.4389 -10.4386 -10.4386 -1.8289 -1.8289 -1.8287 -1.8287 0.4806 0.4806 0.4810 0.4810 0.9346 0.9346 0.9348 0.9348 2.0438 2.0438 2.0441 2.0441 3.6384 3.6384 3.6461 3.6461 4.0758 4.0758 4.0798 4.0798 4.4459 4.4459 4.4489 4.4489 4.5879 4.5879 4.6029 4.6029 5.1302 5.1302 5.1362 5.1362 5.3169 5.3169 5.3256 5.3256 5.5551 5.5551 5.5595 5.5595 5.8674 5.8674 5.8682 5.8682 15.1520 15.1520 15.1524 15.1524 16.0495 16.0495 16.0495 16.0495 16.3969 16.3969 16.3983 16.3983 k = 0.0804 0.3248-0.0000 ( 4222 PWs) bands (ev): -13.3847 -13.3847 -13.3847 -13.3847 -12.7726 -12.7726 -12.7725 -12.7725 -10.6910 -10.6910 -10.6909 -10.6909 -10.4443 -10.4443 -10.4439 -10.4439 -1.8366 -1.8366 -1.8365 -1.8365 0.4756 0.4756 0.4761 0.4761 0.9459 0.9459 0.9460 0.9460 2.0486 2.0486 2.0489 2.0489 3.6828 3.6828 3.6905 3.6905 4.0740 4.0740 4.0784 4.0784 4.4815 4.4815 4.4847 4.4847 4.6120 4.6120 4.6261 4.6261 5.1559 5.1559 5.1621 5.1621 5.3309 5.3309 5.3399 5.3399 5.5563 5.5563 5.5598 5.5598 5.8682 5.8682 5.8691 5.8691 15.1037 15.1037 15.1041 15.1041 15.9951 15.9951 15.9951 15.9951 16.3602 16.3602 16.3614 16.3614 k = 0.0714 0.3248-0.0000 ( 4226 PWs) bands (ev): -13.3930 -13.3930 -13.3930 -13.3930 -12.7774 -12.7774 -12.7773 -12.7773 -10.6987 -10.6987 -10.6985 -10.6985 -10.4491 -10.4491 -10.4488 -10.4488 -1.8436 -1.8436 -1.8435 -1.8435 0.4709 0.4709 0.4713 0.4713 0.9560 0.9560 0.9561 0.9561 2.0528 2.0528 2.0530 2.0530 3.7244 3.7244 3.7320 3.7320 4.0716 4.0716 4.0762 4.0762 4.5103 4.5103 4.5129 4.5129 4.6386 4.6386 4.6510 4.6510 5.1796 5.1796 5.1860 5.1860 5.3405 5.3405 5.3499 5.3499 5.5609 5.5609 5.5634 5.5634 5.8685 5.8685 5.8695 5.8695 15.0596 15.0596 15.0598 15.0598 15.9454 15.9454 15.9454 15.9454 16.3263 16.3263 16.3274 16.3274 k = 0.0625 0.3248-0.0000 ( 4226 PWs) bands (ev): -13.4003 -13.4003 -13.4003 -13.4003 -12.7816 -12.7816 -12.7816 -12.7816 -10.7054 -10.7054 -10.7053 -10.7053 -10.4534 -10.4534 -10.4531 -10.4531 -1.8498 -1.8498 -1.8497 -1.8497 0.4665 0.4665 0.4668 0.4668 0.9650 0.9650 0.9651 0.9651 2.0564 2.0564 2.0566 2.0566 3.7628 3.7628 3.7703 3.7703 4.0687 4.0687 4.0735 4.0735 4.5320 4.5320 4.5335 4.5335 4.6673 4.6673 4.6776 4.6776 5.2013 5.2013 5.2080 5.2080 5.3453 5.3453 5.3552 5.3552 5.5686 5.5686 5.5702 5.5702 5.8684 5.8684 5.8695 5.8695 15.0199 15.0199 15.0201 15.0201 15.9008 15.9008 15.9008 15.9008 16.2955 16.2955 16.2965 16.2965 k = 0.0536 0.3248-0.0000 ( 4230 PWs) bands (ev): -13.4067 -13.4067 -13.4067 -13.4067 -12.7854 -12.7854 -12.7853 -12.7853 -10.7113 -10.7113 -10.7112 -10.7112 -10.4571 -10.4571 -10.4569 -10.4569 -1.8553 -1.8553 -1.8552 -1.8552 0.4625 0.4625 0.4628 0.4628 0.9728 0.9728 0.9729 0.9729 2.0594 2.0594 2.0596 2.0596 3.7978 3.7978 3.8049 3.8049 4.0654 4.0654 4.0702 4.0702 4.5473 4.5473 4.5479 4.5479 4.6967 4.6967 4.7049 4.7049 5.2208 5.2208 5.2280 5.2280 5.3460 5.3460 5.3563 5.3563 5.5784 5.5784 5.5792 5.5792 5.8681 5.8681 5.8693 5.8693 14.9849 14.9849 14.9851 14.9851 15.8614 15.8614 15.8614 15.8614 16.2683 16.2683 16.2691 16.2691 k = 0.0446 0.3248-0.0000 ( 4236 PWs) bands (ev): -13.4121 -13.4121 -13.4121 -13.4121 -12.7885 -12.7885 -12.7885 -12.7885 -10.7163 -10.7163 -10.7162 -10.7162 -10.4603 -10.4603 -10.4601 -10.4601 -1.8599 -1.8599 -1.8598 -1.8598 0.4590 0.4590 0.4593 0.4593 0.9795 0.9795 0.9795 0.9795 2.0619 2.0619 2.0621 2.0621 3.8289 3.8289 3.8356 3.8356 4.0619 4.0619 4.0666 4.0666 4.5576 4.5576 4.5578 4.5578 4.7247 4.7247 4.7311 4.7311 5.2383 5.2383 5.2459 5.2459 5.3434 5.3434 5.3540 5.3540 5.5892 5.5892 5.5894 5.5894 5.8676 5.8676 5.8687 5.8687 14.9548 14.9548 14.9550 14.9550 15.8277 15.8277 15.8277 15.8277 16.2448 16.2448 16.2455 16.2455 k = 0.0357 0.3248-0.0000 ( 4236 PWs) bands (ev): -13.4166 -13.4166 -13.4166 -13.4166 -12.7912 -12.7912 -12.7911 -12.7911 -10.7204 -10.7204 -10.7203 -10.7203 -10.4629 -10.4629 -10.4628 -10.4628 -1.8636 -1.8636 -1.8636 -1.8636 0.4561 0.4561 0.4563 0.4563 0.9849 0.9849 0.9850 0.9850 2.0639 2.0639 2.0640 2.0640 3.8558 3.8558 3.8619 3.8619 4.0583 4.0583 4.0627 4.0627 4.5641 4.5641 4.5647 4.5647 4.7499 4.7499 4.7547 4.7547 5.2536 5.2536 5.2617 5.2617 5.3386 5.3386 5.3494 5.3494 5.5995 5.5995 5.5996 5.5996 5.8670 5.8670 5.8681 5.8681 14.9299 14.9299 14.9301 14.9301 15.7997 15.7997 15.7997 15.7997 16.2252 16.2252 16.2258 16.2258 k = 0.0268 0.3248-0.0000 ( 4228 PWs) bands (ev): -13.4200 -13.4200 -13.4200 -13.4200 -12.7932 -12.7932 -12.7932 -12.7932 -10.7236 -10.7236 -10.7236 -10.7236 -10.4650 -10.4650 -10.4648 -10.4648 -1.8666 -1.8666 -1.8666 -1.8666 0.4538 0.4538 0.4539 0.4539 0.9892 0.9892 0.9892 0.9892 2.0655 2.0655 2.0656 2.0656 3.8781 3.8781 3.8832 3.8832 4.0550 4.0550 4.0588 4.0588 4.5684 4.5684 4.5690 4.5690 4.7708 4.7708 4.7743 4.7743 5.2668 5.2668 5.2751 5.2751 5.3329 5.3329 5.3433 5.3433 5.6084 5.6084 5.6086 5.6086 5.8665 5.8665 5.8674 5.8674 14.9104 14.9104 14.9105 14.9105 15.7778 15.7778 15.7778 15.7778 16.2098 16.2098 16.2103 16.2103 k = 0.0179 0.3248-0.0000 ( 4222 PWs) bands (ev): -13.4225 -13.4225 -13.4225 -13.4225 -12.7946 -12.7946 -12.7946 -12.7946 -10.7259 -10.7259 -10.7259 -10.7259 -10.4664 -10.4664 -10.4663 -10.4663 -1.8687 -1.8687 -1.8687 -1.8687 0.4521 0.4521 0.4522 0.4522 0.9922 0.9922 0.9922 0.9922 2.0666 2.0666 2.0666 2.0666 3.8951 3.8951 3.8989 3.8989 4.0522 4.0522 4.0551 4.0551 4.5711 4.5711 4.5717 4.5717 4.7867 4.7867 4.7889 4.7889 5.2779 5.2779 5.2857 5.2857 5.3273 5.3273 5.3365 5.3365 5.6153 5.6153 5.6156 5.6156 5.8661 5.8661 5.8667 5.8667 14.8963 14.8963 14.8964 14.8964 15.7620 15.7620 15.7620 15.7620 16.1988 16.1988 16.1991 16.1991 k = 0.0089 0.3248-0.0000 ( 4230 PWs) bands (ev): -13.4240 -13.4240 -13.4240 -13.4240 -12.7955 -12.7955 -12.7955 -12.7955 -10.7273 -10.7273 -10.7273 -10.7273 -10.4673 -10.4673 -10.4672 -10.4672 -1.8700 -1.8700 -1.8700 -1.8700 0.4511 0.4511 0.4511 0.4511 0.9940 0.9940 0.9940 0.9940 2.0672 2.0672 2.0673 2.0673 3.9062 3.9062 3.9082 3.9082 4.0506 4.0506 4.0522 4.0522 4.5727 4.5727 4.5730 4.5730 4.7967 4.7967 4.7978 4.7978 5.2867 5.2867 5.2921 5.2921 5.3237 5.3237 5.3299 5.3299 5.6197 5.6197 5.6199 5.6199 5.8659 5.8659 5.8662 5.8662 14.8879 14.8879 14.8879 14.8879 15.7525 15.7525 15.7525 15.7525 16.1921 16.1921 16.1923 16.1923 k = 0.0000 0.3248-0.0000 ( 4234 PWs) bands (ev): -13.4245 -13.4245 -13.4245 -13.4245 -12.7958 -12.7958 -12.7958 -12.7958 -10.7277 -10.7277 -10.7277 -10.7277 -10.4675 -10.4675 -10.4675 -10.4675 -1.8704 -1.8704 -1.8704 -1.8704 0.4508 0.4508 0.4508 0.4508 0.9946 0.9946 0.9946 0.9946 2.0675 2.0675 2.0675 2.0675 3.9107 3.9107 3.9107 3.9107 4.0506 4.0506 4.0506 4.0506 4.5733 4.5733 4.5733 4.5733 4.8004 4.8004 4.8004 4.8004 5.2922 5.2922 5.2922 5.2922 5.3248 5.3248 5.3248 5.3248 5.6213 5.6213 5.6213 5.6213 5.8659 5.8659 5.8659 5.8659 14.8850 14.8850 14.8850 14.8850 15.7493 15.7493 15.7493 15.7493 16.1899 16.1899 16.1899 16.1899 k = 0.0000 0.3248-0.0000 ( 4234 PWs) bands (ev): -13.4245 -13.4245 -13.4245 -13.4245 -12.7958 -12.7958 -12.7958 -12.7958 -10.7277 -10.7277 -10.7277 -10.7277 -10.4675 -10.4675 -10.4675 -10.4675 -1.8704 -1.8704 -1.8704 -1.8704 0.4508 0.4508 0.4508 0.4508 0.9946 0.9946 0.9946 0.9946 2.0675 2.0675 2.0675 2.0675 3.9107 3.9107 3.9107 3.9107 4.0506 4.0506 4.0506 4.0506 4.5733 4.5733 4.5733 4.5733 4.8004 4.8004 4.8004 4.8004 5.2922 5.2922 5.2922 5.2922 5.3248 5.3248 5.3248 5.3248 5.6213 5.6213 5.6213 5.6213 5.8659 5.8659 5.8659 5.8659 14.8850 14.8850 14.8850 14.8850 15.7493 15.7493 15.7493 15.7493 16.1899 16.1899 16.1899 16.1899 k = 0.0000 0.3160-0.0000 ( 4230 PWs) bands (ev): -13.4370 -13.4370 -13.4140 -13.4140 -12.7984 -12.7984 -12.7920 -12.7920 -10.7513 -10.7513 -10.7028 -10.7028 -10.4773 -10.4773 -10.4572 -10.4572 -1.8733 -1.8733 -1.8683 -1.8683 0.4466 0.4466 0.4516 0.4516 0.9657 0.9657 1.0263 1.0263 2.0097 2.0097 2.1279 2.1279 3.9016 3.9016 3.9189 3.9189 4.0397 4.0397 4.0557 4.0557 4.5472 4.5472 4.5997 4.5997 4.7967 4.7967 4.8044 4.8044 5.2763 5.2763 5.3046 5.3046 5.3186 5.3186 5.3349 5.3349 5.6113 5.6113 5.6313 5.6313 5.8640 5.8640 5.8699 5.8699 14.8300 14.8300 14.9372 14.9372 15.7272 15.7272 15.7716 15.7716 16.1502 16.1502 16.1905 16.1905 k = 0.0000 0.3072-0.0000 ( 4222 PWs) bands (ev): -13.4514 -13.4514 -13.4057 -13.4057 -12.7998 -12.7998 -12.7868 -12.7868 -10.7736 -10.7736 -10.6766 -10.6766 -10.4865 -10.4865 -10.4462 -10.4462 -1.8768 -1.8768 -1.8671 -1.8671 0.4388 0.4388 0.4496 0.4496 0.9394 0.9394 1.0606 1.0606 1.9556 1.9556 2.1902 2.1902 3.8917 3.8917 3.9262 3.9262 4.0229 4.0229 4.0554 4.0554 4.5216 4.5216 4.6264 4.6264 4.7932 4.7932 4.8088 4.8088 5.2608 5.2608 5.2993 5.2993 5.3303 5.3303 5.3452 5.3452 5.6015 5.6015 5.6414 5.6414 5.8637 5.8637 5.8764 5.8764 14.7720 14.7720 14.9865 14.9865 15.7059 15.7059 15.7929 15.7929 16.0993 16.0993 16.1573 16.1573 k = 0.0000 0.2984-0.0000 ( 4230 PWs) bands (ev): -13.4675 -13.4675 -13.3996 -13.3996 -12.8003 -12.8003 -12.7802 -12.7802 -10.7943 -10.7943 -10.6493 -10.6493 -10.4952 -10.4952 -10.4346 -10.4346 -1.8810 -1.8810 -1.8668 -1.8668 0.4273 0.4273 0.4456 0.4456 0.9149 0.9149 1.0974 1.0974 1.9063 1.9063 2.2535 2.2535 3.8811 3.8811 3.9325 3.9325 4.0004 4.0004 4.0498 4.0498 4.4966 4.4966 4.6531 4.6531 4.7897 4.7897 4.8136 4.8136 5.2461 5.2461 5.2889 5.2889 5.3458 5.3458 5.3562 5.3562 5.5917 5.5917 5.6516 5.6516 5.8647 5.8647 5.8858 5.8858 14.7113 14.7113 15.0327 15.0327 15.6858 15.6858 15.8116 15.8116 16.0473 16.0473 16.1186 16.1186 k = 0.0000 0.2897-0.0000 ( 4230 PWs) bands (ev): -13.4850 -13.4850 -13.3956 -13.3956 -12.8000 -12.8000 -12.7720 -12.7720 -10.8135 -10.8135 -10.6210 -10.6210 -10.5034 -10.5034 -10.4223 -10.4223 -1.8857 -1.8857 -1.8676 -1.8676 0.4123 0.4123 0.4401 0.4401 0.8916 0.8916 1.1362 1.1362 1.8627 1.8627 2.3170 2.3170 3.8698 3.8698 3.9376 3.9376 3.9727 3.9727 4.0394 4.0394 4.4721 4.4721 4.6796 4.6796 4.7862 4.7862 4.8190 4.8190 5.2325 5.2325 5.2780 5.2780 5.3568 5.3568 5.3714 5.3714 5.5821 5.5821 5.6618 5.6618 5.8668 5.8668 5.8984 5.8984 14.6479 14.6479 15.0758 15.0758 15.6670 15.6670 15.8256 15.8256 15.9975 15.9975 16.0845 16.0845 k = 0.0000 0.2809-0.0000 ( 4236 PWs) bands (ev): -13.5039 -13.5039 -13.3939 -13.3939 -12.7992 -12.7992 -12.7625 -12.7625 -10.8311 -10.8311 -10.5917 -10.5917 -10.5111 -10.5111 -10.4094 -10.4094 -1.8909 -1.8909 -1.8697 -1.8697 0.3945 0.3945 0.4339 0.4339 0.8681 0.8681 1.1766 1.1766 1.8257 1.8257 2.3800 2.3800 3.8578 3.8578 3.9355 3.9355 3.9463 3.9463 4.0246 4.0246 4.4478 4.4478 4.7059 4.7059 4.7825 4.7825 4.8249 4.8249 5.2200 5.2200 5.2670 5.2670 5.3634 5.3634 5.3899 5.3899 5.5726 5.5726 5.6720 5.6720 5.8696 5.8696 5.9144 5.9144 14.5818 14.5818 15.1158 15.1158 15.6492 15.6492 15.8321 15.8321 15.9513 15.9513 16.0593 16.0593 k = 0.0000 0.2721-0.0000 ( 4232 PWs) bands (ev): -13.5237 -13.5237 -13.3942 -13.3942 -12.7980 -12.7980 -12.7516 -12.7516 -10.8471 -10.8471 -10.5617 -10.5617 -10.5183 -10.5183 -10.3957 -10.3957 -1.8965 -1.8965 -1.8731 -1.8731 0.3744 0.3744 0.4277 0.4277 0.8433 0.8433 1.2182 1.2182 1.7961 1.7961 2.4419 2.4419 3.8454 3.8454 3.9012 3.9012 3.9468 3.9468 4.0059 4.0059 4.4236 4.4236 4.7317 4.7317 4.7786 4.7786 4.8314 4.8314 5.2089 5.2089 5.2558 5.2558 5.3678 5.3678 5.4094 5.4094 5.5633 5.5633 5.6823 5.6823 5.8730 5.8730 5.9339 5.9339 14.5132 14.5132 15.1525 15.1525 15.6317 15.6317 15.8289 15.8289 15.9104 15.9104 16.0451 16.0451 k = 0.0000 0.2633-0.0000 ( 4224 PWs) bands (ev): -13.5444 -13.5444 -13.3964 -13.3964 -12.7966 -12.7966 -12.7395 -12.7395 -10.8614 -10.8614 -10.5309 -10.5309 -10.5251 -10.5251 -10.3814 -10.3814 -1.9026 -1.9026 -1.8780 -1.8780 0.3528 0.3528 0.4218 0.4218 0.8164 0.8164 1.2606 1.2606 1.7744 1.7744 2.5020 2.5020 3.8324 3.8324 3.8608 3.8608 3.9487 3.9487 3.9839 3.9839 4.3992 4.3992 4.7564 4.7564 4.7747 4.7747 4.8385 4.8385 5.1992 5.1992 5.2442 5.2442 5.3707 5.3707 5.4294 5.4294 5.5540 5.5540 5.6926 5.6926 5.8769 5.8769 5.9568 5.9568 14.4422 14.4422 15.1858 15.1858 15.6135 15.6135 15.8167 15.8167 15.8763 15.8763 16.0412 16.0412 k = 0.0000 0.2545-0.0000 ( 4232 PWs) bands (ev): -13.5658 -13.5658 -13.4005 -13.4005 -12.7952 -12.7952 -12.7264 -12.7264 -10.8740 -10.8740 -10.5316 -10.5316 -10.4996 -10.4996 -10.3663 -10.3663 -1.9091 -1.9091 -1.8845 -1.8845 0.3306 0.3306 0.4169 0.4169 0.7866 0.7866 1.3035 1.3035 1.7606 1.7606 2.5599 2.5599 3.8153 3.8153 3.8211 3.8211 3.9475 3.9475 3.9610 3.9610 4.3743 4.3743 4.7675 4.7675 4.7832 4.7832 4.8462 4.8462 5.1909 5.1909 5.2320 5.2320 5.3726 5.3726 5.4495 5.4495 5.5450 5.5450 5.7028 5.7028 5.8812 5.8812 5.9826 5.9826 14.3690 14.3690 15.2156 15.2156 15.5932 15.5932 15.7985 15.7985 15.8508 15.8508 16.0442 16.0442 k = 0.0000 0.2458-0.0000 ( 4240 PWs) bands (ev): -13.5876 -13.5876 -13.4061 -13.4061 -12.7939 -12.7939 -12.7124 -12.7124 -10.8849 -10.8849 -10.5377 -10.5377 -10.4678 -10.4678 -10.3506 -10.3506 -1.9160 -1.9160 -1.8928 -1.8928 0.3084 0.3084 0.4132 0.4132 0.7537 0.7537 1.3464 1.3464 1.7545 1.7545 2.6150 2.6150 3.7715 3.7715 3.8060 3.8060 3.9271 3.9271 3.9539 3.9539 4.3487 4.3487 4.7626 4.7626 4.8059 4.8059 4.8544 4.8544 5.1841 5.1841 5.2189 5.2189 5.3745 5.3745 5.4697 5.4697 5.5360 5.5360 5.7130 5.7130 5.8859 5.8859 6.0110 6.0110 14.2937 14.2937 15.2418 15.2418 15.5699 15.5699 15.7777 15.7777 15.8350 15.8350 16.0503 16.0503 k = 0.0000 0.2370-0.0000 ( 4248 PWs) bands (ev): -13.6098 -13.6098 -13.4130 -13.4130 -12.7928 -12.7928 -12.6977 -12.6977 -10.8942 -10.8942 -10.5435 -10.5435 -10.4358 -10.4358 -10.3342 -10.3342 -1.9232 -1.9232 -1.9030 -1.9030 0.2867 0.2867 0.4111 0.4111 0.7180 0.7180 1.3891 1.3891 1.7553 1.7553 2.6668 2.6668 3.7250 3.7250 3.7922 3.7922 3.8970 3.8970 3.9531 3.9531 4.3222 4.3222 4.7565 4.7565 4.8277 4.8277 4.8631 4.8631 5.1788 5.1788 5.2047 5.2047 5.3772 5.3772 5.4899 5.4899 5.5273 5.5273 5.7232 5.7232 5.8909 5.8909 6.0415 6.0415 14.2166 14.2166 15.2643 15.2643 15.5435 15.5435 15.7569 15.7569 15.8293 15.8293 16.0566 16.0566 k = 0.0000 0.2282-0.0000 ( 4238 PWs) bands (ev): -13.6321 -13.6321 -13.4211 -13.4211 -12.7919 -12.7919 -12.6826 -12.6826 -10.9018 -10.9018 -10.5490 -10.5490 -10.4035 -10.4035 -10.3171 -10.3171 -1.9307 -1.9307 -1.9151 -1.9151 0.2661 0.2661 0.4109 0.4109 0.6799 0.6799 1.4313 1.4313 1.7621 1.7621 2.7150 2.7150 3.6782 3.6782 3.7783 3.7783 3.8644 3.8644 3.9522 3.9522 4.2949 4.2949 4.7496 4.7496 4.8473 4.8473 4.8723 4.8723 5.1749 5.1749 5.1891 5.1891 5.3821 5.3821 5.5101 5.5101 5.5188 5.5188 5.7333 5.7333 5.8964 5.8964 6.0735 6.0735 14.1380 14.1380 15.2831 15.2831 15.5145 15.5145 15.7376 15.7376 15.8330 15.8330 16.0615 16.0615 k = 0.0000 0.2194-0.0000 ( 4240 PWs) bands (ev): -13.6544 -13.6544 -13.4302 -13.4302 -12.7915 -12.7915 -12.6671 -12.6671 -10.9079 -10.9079 -10.5543 -10.5543 -10.3713 -10.3713 -10.2993 -10.2993 -1.9386 -1.9386 -1.9292 -1.9292 0.2467 0.2467 0.4127 0.4127 0.6403 0.6403 1.4728 1.4728 1.7738 1.7738 2.7591 2.7591 3.6317 3.6317 3.7643 3.7643 3.8301 3.8301 3.9508 3.9508 4.2666 4.2666 4.7422 4.7422 4.8638 4.8638 4.8819 4.8819 5.1713 5.1713 5.1729 5.1729 5.3903 5.3903 5.5104 5.5104 5.5300 5.5300 5.7434 5.7434 5.9022 5.9022 6.1066 6.1066 14.0581 14.0581 15.2984 15.2984 15.4840 15.4840 15.7204 15.7204 15.8452 15.8452 16.0638 16.0638 k = 0.0000 0.2107-0.0000 ( 4238 PWs) bands (ev): -13.6766 -13.6766 -13.4401 -13.4401 -12.7914 -12.7914 -12.6515 -12.6515 -10.9123 -10.9123 -10.5593 -10.5593 -10.3392 -10.3392 -10.2808 -10.2808 -1.9468 -1.9468 -1.9453 -1.9453 0.2288 0.2288 0.4167 0.4167 0.6000 0.6000 1.5133 1.5133 1.7892 1.7892 2.7988 2.7988 3.5865 3.5865 3.7503 3.7503 3.7949 3.7949 3.9488 3.9488 4.2374 4.2374 4.7341 4.7341 4.8764 4.8764 4.8917 4.8917 5.1524 5.1524 5.1714 5.1714 5.4031 5.4031 5.5022 5.5022 5.5498 5.5498 5.7534 5.7534 5.9084 5.9084 6.1402 6.1402 13.9772 13.9772 15.3102 15.3102 15.4530 15.4530 15.7057 15.7057 15.8649 15.8649 16.0632 16.0632 k = 0.0000 0.2019-0.0000 ( 4236 PWs) bands (ev): -13.6986 -13.6986 -13.4505 -13.4505 -12.7918 -12.7918 -12.6360 -12.6360 -10.9153 -10.9153 -10.5641 -10.5641 -10.3076 -10.3076 -10.2615 -10.2615 -1.9634 -1.9634 -1.9552 -1.9552 0.2121 0.2121 0.4231 0.4231 0.5600 0.5600 1.5526 1.5526 1.8072 1.8072 2.8336 2.8336 3.5431 3.5431 3.7362 3.7362 3.7595 3.7595 3.9463 3.9463 4.2075 4.2075 4.7255 4.7255 4.8844 4.8844 4.9018 4.9018 5.1310 5.1310 5.1714 5.1714 5.4215 5.4215 5.4943 5.4943 5.5692 5.5692 5.7632 5.7632 5.9149 5.9149 6.1740 6.1740 13.8956 13.8956 15.3188 15.3188 15.4223 15.4223 15.6936 15.6936 15.8911 15.8911 16.0594 16.0594 k = 0.0000 0.1931-0.0000 ( 4238 PWs) bands (ev): -13.7202 -13.7202 -13.4615 -13.4615 -12.7926 -12.7926 -12.6205 -12.6205 -10.9169 -10.9169 -10.5687 -10.5687 -10.2768 -10.2768 -10.2413 -10.2413 -1.9834 -1.9834 -1.9639 -1.9639 0.1965 0.1965 0.4319 0.4319 0.5215 0.5215 1.5905 1.5905 1.8265 1.8265 2.8631 2.8631 3.5025 3.5025 3.7197 3.7197 3.7271 3.7271 3.9434 3.9434 4.1768 4.1768 4.7166 4.7166 4.8873 4.8873 4.9122 4.9122 5.1074 5.1074 5.1725 5.1725 5.4460 5.4460 5.4866 5.4866 5.5882 5.5882 5.7729 5.7729 5.9218 5.9218 6.2075 6.2075 13.8136 13.8136 15.3248 15.3248 15.3924 15.3924 15.6837 15.6837 15.9232 15.9232 16.0525 16.0525 k = 0.0000 0.1843-0.0000 ( 4234 PWs) bands (ev): -13.7414 -13.7414 -13.4727 -13.4727 -12.7939 -12.7939 -12.6054 -12.6054 -10.9172 -10.9172 -10.5731 -10.5731 -10.2474 -10.2474 -10.2197 -10.2197 -2.0053 -2.0053 -1.9727 -1.9727 0.1814 0.1814 0.4430 0.4430 0.4856 0.4856 1.6269 1.6269 1.8461 1.8461 2.8869 2.8869 3.4654 3.4654 3.6888 3.6888 3.7104 3.7104 3.9400 3.9400 4.1456 4.1456 4.7073 4.7073 4.8852 4.8852 4.9226 4.9226 5.0814 5.0814 5.1745 5.1745 5.4767 5.4767 5.4791 5.4791 5.6069 5.6069 5.7825 5.7825 5.9290 5.9290 6.2405 6.2405 13.7315 13.7315 15.3285 15.3285 15.3637 15.3637 15.6757 15.6757 15.9605 15.9605 16.0428 16.0428 k = 0.0000 0.1756-0.0000 ( 4238 PWs) bands (ev): -13.7621 -13.7621 -13.4840 -13.4840 -12.7956 -12.7956 -12.5906 -12.5906 -10.9163 -10.9163 -10.5774 -10.5774 -10.2203 -10.2203 -10.1960 -10.1960 -2.0288 -2.0288 -1.9818 -1.9818 0.1660 0.1660 0.4522 0.4522 0.4581 0.4581 1.6617 1.6617 1.8648 1.8648 2.9042 2.9042 3.4325 3.4325 3.6572 3.6572 3.6969 3.6969 3.9363 3.9363 4.1140 4.1140 4.6978 4.6978 4.8783 4.8783 4.9330 4.9330 5.0529 5.0529 5.1774 5.1774 5.4718 5.4718 5.5134 5.5134 5.6250 5.6250 5.7919 5.7919 5.9365 5.9365 6.2725 6.2725 13.6496 13.6496 15.3304 15.3304 15.3365 15.3365 15.6693 15.6693 16.0026 16.0026 16.0305 16.0305 k = 0.0000 0.1668-0.0000 ( 4238 PWs) bands (ev): -13.7822 -13.7822 -13.4955 -13.4955 -12.7977 -12.7977 -12.5764 -12.5764 -10.9143 -10.9143 -10.5815 -10.5815 -10.1960 -10.1960 -10.1699 -10.1699 -2.0538 -2.0538 -1.9910 -1.9910 0.1492 0.1492 0.4266 0.4266 0.4730 0.4730 1.6947 1.6947 1.8817 1.8817 2.9145 2.9145 3.4046 3.4046 3.6287 3.6287 3.6840 3.6840 3.9324 3.9324 4.0822 4.0822 4.6882 4.6882 4.8673 4.8673 4.9434 4.9434 5.0220 5.0220 5.1809 5.1809 5.4648 5.4648 5.5551 5.5551 5.6426 5.6426 5.8011 5.8011 5.9442 5.9442 6.3034 6.3034 13.5683 13.5683 15.3108 15.3108 15.3311 15.3311 15.6639 15.6639 16.0162 16.0162 16.0492 16.0492 k = 0.0000 0.1580-0.0000 ( 4230 PWs) bands (ev): -13.8016 -13.8016 -13.5068 -13.5068 -12.8001 -12.8001 -12.5626 -12.5626 -10.9113 -10.9113 -10.5855 -10.5855 -10.1738 -10.1738 -10.1425 -10.1425 -2.0800 -2.0800 -2.0002 -2.0002 0.1303 0.1303 0.4064 0.4064 0.4913 0.4913 1.7258 1.7258 1.8959 1.8959 2.9172 2.9172 3.3823 3.3823 3.6045 3.6045 3.6715 3.6715 3.9282 3.9282 4.0505 4.0505 4.6785 4.6785 4.8529 4.8529 4.9537 4.9537 4.9885 4.9885 5.1849 5.1849 5.4581 5.4581 5.6012 5.6012 5.6597 5.6597 5.8101 5.8101 5.9521 5.9521 6.3331 6.3331 13.4880 13.4880 15.2867 15.2867 15.3309 15.3309 15.6591 15.6591 16.0002 16.0002 16.0997 16.0997 k = 0.0000 0.1492-0.0000 ( 4230 PWs) bands (ev): -13.8202 -13.8202 -13.5180 -13.5180 -12.8028 -12.8028 -12.5494 -12.5494 -10.9074 -10.9074 -10.5894 -10.5894 -10.1527 -10.1527 -10.1149 -10.1149 -2.1072 -2.1072 -2.0094 -2.0094 0.1087 0.1087 0.3932 0.3932 0.5118 0.5118 1.7550 1.7550 1.9066 1.9066 2.9119 2.9119 3.3663 3.3663 3.5856 3.5856 3.6594 3.6594 3.9239 3.9239 4.0192 4.0192 4.6690 4.6690 4.8356 4.8356 4.9526 4.9526 4.9638 4.9638 5.1894 5.1894 5.4516 5.4516 5.6505 5.6505 5.6761 5.6761 5.8189 5.8189 5.9601 5.9601 6.3612 6.3612 13.4089 13.4089 15.2644 15.2644 15.3303 15.3303 15.6546 15.6546 15.9831 15.9831 16.1539 16.1539 k = 0.0000 0.1404-0.0000 ( 4236 PWs) bands (ev): -13.8381 -13.8381 -13.5289 -13.5289 -12.8058 -12.8058 -12.5369 -12.5369 -10.9027 -10.9027 -10.5932 -10.5932 -10.1323 -10.1323 -10.0876 -10.0876 -2.1351 -2.1351 -2.0186 -2.0186 0.0845 0.0845 0.3870 0.3870 0.5345 0.5345 1.7824 1.7824 1.9133 1.9133 2.8983 2.8983 3.3569 3.3569 3.5726 3.5726 3.6478 3.6478 3.9195 3.9195 3.9884 3.9884 4.6596 4.6596 4.8162 4.8162 4.9143 4.9143 4.9735 4.9735 5.1942 5.1942 5.4454 5.4454 5.6918 5.6918 5.7023 5.7023 5.8275 5.8275 5.9681 5.9681 6.3877 6.3877 13.3315 13.3315 15.2437 15.2437 15.3296 15.3296 15.6500 15.6500 15.9654 15.9654 16.2113 16.2113 k = 0.0000 0.1317-0.0000 ( 4224 PWs) bands (ev): -13.8552 -13.8552 -13.5395 -13.5395 -12.8089 -12.8089 -12.5251 -12.5251 -10.8975 -10.8975 -10.5969 -10.5969 -10.1125 -10.1125 -10.0612 -10.0612 -2.1633 -2.1633 -2.0277 -2.0277 0.0582 0.0582 0.3873 0.3873 0.5589 0.5589 1.8079 1.8079 1.9155 1.9155 2.8771 2.8771 3.3544 3.3544 3.5655 3.5655 3.6368 3.6368 3.9149 3.9149 3.9587 3.9587 4.6504 4.6504 4.7951 4.7951 4.8737 4.8737 4.9830 4.9830 5.1993 5.1993 5.4395 5.4395 5.7068 5.7068 5.7553 5.7553 5.8362 5.8362 5.9761 5.9761 6.4125 6.4125 13.2561 13.2561 15.2247 15.2247 15.3289 15.3289 15.6452 15.6452 15.9474 15.9474 16.2717 16.2717 k = 0.0000 0.1229-0.0000 ( 4224 PWs) bands (ev): -13.8713 -13.8713 -13.5498 -13.5498 -12.8122 -12.8122 -12.5140 -12.5140 -10.8917 -10.8917 -10.6006 -10.6006 -10.0932 -10.0932 -10.0358 -10.0358 -2.1916 -2.1916 -2.0366 -2.0366 0.0307 0.0307 0.3930 0.3930 0.5850 0.5850 1.8315 1.8315 1.9131 1.9131 2.8487 2.8487 3.3589 3.3589 3.5640 3.5640 3.6263 3.6263 3.9096 3.9096 3.9307 3.9307 4.6415 4.6415 4.7728 4.7728 4.8309 4.8309 4.9921 4.9921 5.2044 5.2044 5.4338 5.4338 5.7210 5.7210 5.8076 5.8076 5.8460 5.8460 5.9840 5.9840 6.4354 6.4354 13.1830 13.1830 15.2073 15.2073 15.3283 15.3283 15.6401 15.6401 15.9295 15.9295 16.3346 16.3346 k = 0.0000 0.1141-0.0000 ( 4226 PWs) bands (ev): -13.8866 -13.8866 -13.5595 -13.5595 -12.8156 -12.8156 -12.5037 -12.5037 -10.8856 -10.8856 -10.6041 -10.6041 -10.0746 -10.0746 -10.0116 -10.0116 -2.2196 -2.2196 -2.0452 -2.0452 0.0028 0.0028 0.4033 0.4033 0.6125 0.6125 1.8535 1.8535 1.9064 1.9064 2.8144 2.8144 3.3700 3.3700 3.5676 3.5676 3.6163 3.6163 3.8976 3.8976 3.9111 3.9111 4.6330 4.6330 4.7497 4.7497 4.7861 4.7861 5.0008 5.0008 5.2096 5.2096 5.4285 5.4285 5.7344 5.7344 5.8437 5.8437 5.8716 5.8716 5.9918 5.9918 6.4565 6.4565 13.1128 13.1128 15.1915 15.1915 15.3281 15.3281 15.6345 15.6345 15.9122 15.9122 16.3997 16.3997 k = 0.0000 0.1053-0.0000 ( 4228 PWs) bands (ev): -13.9008 -13.9008 -13.5687 -13.5687 -12.8190 -12.8190 -12.4941 -12.4941 -10.8792 -10.8792 -10.6076 -10.6076 -10.0567 -10.0567 -9.9888 -9.9888 -2.2471 -2.2471 -2.0536 -2.0536 -0.0247 -0.0247 0.4172 0.4172 0.6410 0.6410 1.8736 1.8736 1.8956 1.8956 2.7754 2.7754 3.3873 3.3873 3.5753 3.5753 3.6070 3.6070 3.8742 3.8742 3.9046 3.9046 4.6248 4.6248 4.7258 4.7258 4.7396 4.7396 5.0091 5.0091 5.2147 5.2147 5.4235 5.4235 5.7470 5.7470 5.8545 5.8545 5.9212 5.9212 5.9996 5.9996 6.4756 6.4756 13.0456 13.0456 15.1772 15.1772 15.3282 15.3282 15.6284 15.6284 15.8956 15.8956 16.4664 16.4664 k = 0.0000 0.0966-0.0000 ( 4226 PWs) bands (ev): -13.9140 -13.9140 -13.5774 -13.5774 -12.8224 -12.8224 -12.4853 -12.4853 -10.8727 -10.8727 -10.6109 -10.6109 -10.0396 -10.0396 -9.9674 -9.9674 -2.2736 -2.2736 -2.0616 -2.0616 -0.0513 -0.0513 0.4337 0.4337 0.6702 0.6702 1.8802 1.8802 1.8936 1.8936 2.7328 2.7328 3.4099 3.4099 3.5862 3.5862 3.5983 3.5983 3.8512 3.8512 3.9002 3.9002 4.6171 4.6171 4.6900 4.6900 4.7036 4.7036 5.0168 5.0168 5.2197 5.2197 5.4188 5.4188 5.7587 5.7587 5.8618 5.8618 5.9717 5.9717 6.0080 6.0080 6.4928 6.4928 12.9820 12.9820 15.1644 15.1644 15.3285 15.3285 15.6219 15.6219 15.8802 15.8802 16.5344 16.5344 k = 0.0000 0.0878-0.0000 ( 4226 PWs) bands (ev): -13.9262 -13.9262 -13.5854 -13.5854 -12.8256 -12.8256 -12.4772 -12.4772 -10.8662 -10.8662 -10.6141 -10.6141 -10.0235 -10.0235 -9.9475 -9.9475 -2.2989 -2.2989 -2.0691 -2.0691 -0.0766 -0.0766 0.4522 0.4522 0.6997 0.6997 1.8632 1.8632 1.9109 1.9109 2.6881 2.6881 3.4370 3.4370 3.5903 3.5903 3.5995 3.5995 3.8306 3.8306 3.8964 3.8964 4.6092 4.6092 4.6410 4.6410 4.6799 4.6799 5.0239 5.0239 5.2245 5.2245 5.4144 5.4144 5.7695 5.7695 5.8682 5.8682 6.0072 6.0072 6.0295 6.0295 6.5080 6.5080 12.9224 12.9224 15.1530 15.1530 15.3292 15.3292 15.6151 15.6151 15.8660 15.8660 16.6032 16.6032 k = 0.0000 0.0790-0.0000 ( 4220 PWs) bands (ev): -13.9373 -13.9373 -13.5928 -13.5928 -12.8288 -12.8288 -12.4700 -12.4700 -10.8598 -10.8598 -10.6172 -10.6172 -10.0085 -10.0085 -9.9293 -9.9293 -2.3227 -2.3227 -2.0761 -2.0761 -0.1002 -0.1002 0.4719 0.4719 0.7290 0.7290 1.8438 1.8438 1.9275 1.9275 2.6422 2.6422 3.4671 3.4671 3.5830 3.5830 3.6143 3.6143 3.8134 3.8134 3.8929 3.8929 4.5859 4.5859 4.6065 4.6065 4.6572 4.6572 5.0305 5.0305 5.2291 5.2291 5.4104 5.4104 5.7794 5.7794 5.8739 5.8739 6.0167 6.0167 6.0743 6.0743 6.5213 6.5213 12.8670 12.8670 15.1429 15.1429 15.3301 15.3301 15.6081 15.6081 15.8531 15.8531 16.6721 16.6721 k = 0.0000 0.0702-0.0000 ( 4220 PWs) bands (ev): -13.9473 -13.9473 -13.5995 -13.5995 -12.8317 -12.8317 -12.4635 -12.4635 -10.8537 -10.8537 -10.6201 -10.6201 -9.9947 -9.9947 -9.9128 -9.9128 -2.3448 -2.3448 -2.0826 -2.0826 -0.1218 -0.1218 0.4922 0.4922 0.7577 0.7577 1.8231 1.8231 1.9432 1.9432 2.5962 2.5962 3.4985 3.4985 3.5765 3.5765 3.6299 3.6299 3.8009 3.8009 3.8898 3.8898 4.5351 4.5351 4.5989 4.5989 4.6355 4.6355 5.0364 5.0364 5.2334 5.2334 5.4068 5.4068 5.7883 5.7883 5.8790 5.8790 6.0230 6.0230 6.1188 6.1188 6.5326 6.5326 12.8162 12.8162 15.1340 15.1340 15.3311 15.3311 15.6011 15.6011 15.8416 15.8416 16.7405 16.7405 k = 0.0000 0.0614-0.0000 ( 4228 PWs) bands (ev): -13.9562 -13.9562 -13.6055 -13.6055 -12.8344 -12.8344 -12.4578 -12.4578 -10.8479 -10.8479 -10.6229 -10.6229 -9.9822 -9.9822 -9.8981 -9.8981 -2.3649 -2.3649 -2.0884 -2.0884 -0.1412 -0.1412 0.5123 0.5123 0.7850 0.7850 1.8020 1.8020 1.9582 1.9582 2.5511 2.5511 3.5290 3.5290 3.5708 3.5708 3.6457 3.6457 3.7944 3.7944 3.8869 3.8869 4.4822 4.4822 4.5932 4.5932 4.6151 4.6151 5.0417 5.0417 5.2373 5.2373 5.4035 5.4035 5.7962 5.7962 5.8836 5.8836 6.0283 6.0283 6.1602 6.1602 6.5421 6.5421 12.7705 12.7705 15.1263 15.1263 15.3323 15.3323 15.5943 15.5943 15.8316 15.8316 16.8078 16.8078 k = 0.0000 0.0527-0.0000 ( 4224 PWs) bands (ev): -13.9639 -13.9639 -13.6107 -13.6107 -12.8368 -12.8368 -12.4528 -12.4528 -10.8426 -10.8426 -10.6254 -10.6254 -9.9711 -9.9711 -9.8852 -9.8852 -2.3828 -2.3828 -2.0936 -2.0936 -0.1584 -0.1584 0.5316 0.5316 0.8106 0.8106 1.7814 1.7814 1.9726 1.9726 2.5080 2.5080 3.5547 3.5547 3.5672 3.5672 3.6609 3.6609 3.7960 3.7960 3.8844 3.8844 4.4291 4.4291 4.5882 4.5882 4.5966 4.5966 5.0464 5.0464 5.2407 5.2407 5.4006 5.4006 5.8031 5.8031 5.8876 5.8876 6.0329 6.0329 6.1976 6.1976 6.5497 6.5497 12.7301 12.7301 15.1198 15.1198 15.3334 15.3334 15.5879 15.5879 15.8231 15.8231 16.8731 16.8731 k = 0.0000 0.0439-0.0000 ( 4226 PWs) bands (ev): -13.9704 -13.9704 -13.6152 -13.6152 -12.8389 -12.8389 -12.4487 -12.4487 -10.8379 -10.8379 -10.6276 -10.6276 -9.9615 -9.9615 -9.8742 -9.8742 -2.3982 -2.3982 -2.0980 -2.0980 -0.1730 -0.1730 0.5494 0.5494 0.8336 0.8336 1.7622 1.7622 1.9862 1.9862 2.4680 2.4680 3.5596 3.5596 3.5790 3.5790 3.6750 3.6750 3.8074 3.8074 3.8823 3.8823 4.3763 4.3763 4.5785 4.5785 4.5855 4.5855 5.0504 5.0504 5.2438 5.2438 5.3981 5.3981 5.8090 5.8090 5.8910 5.8910 6.0369 6.0369 6.2305 6.2305 6.5557 6.5557 12.6953 12.6953 15.1144 15.1144 15.3346 15.3346 15.5820 15.5820 15.8159 15.8159 16.9353 16.9353 k = 0.0000 0.0351-0.0000 ( 4228 PWs) bands (ev): -13.9758 -13.9758 -13.6189 -13.6189 -12.8406 -12.8406 -12.4453 -12.4453 -10.8339 -10.8339 -10.6295 -10.6295 -9.9536 -9.9536 -9.8652 -9.8652 -2.4111 -2.4111 -2.1017 -2.1017 -0.1852 -0.1852 0.5651 0.5651 0.8536 0.8536 1.7451 1.7451 1.9989 1.9989 2.4321 2.4321 3.5566 3.5566 3.5924 3.5924 3.6875 3.6875 3.8284 3.8284 3.8805 3.8805 4.3251 4.3251 4.5645 4.5645 4.5818 4.5818 5.0536 5.0536 5.2463 5.2463 5.3960 5.3960 5.8138 5.8138 5.8938 5.8938 6.0401 6.0401 6.2584 6.2584 6.5601 6.5601 12.6665 12.6665 15.1101 15.1101 15.3356 15.3356 15.5770 15.5770 15.8101 15.8101 16.9932 16.9932 k = 0.0000 0.0263-0.0000 ( 4220 PWs) bands (ev): -13.9800 -13.9800 -13.6218 -13.6218 -12.8420 -12.8420 -12.4426 -12.4426 -10.8307 -10.8307 -10.6310 -10.6310 -9.9473 -9.9473 -9.8581 -9.8581 -2.4213 -2.4213 -2.1046 -2.1046 -0.1947 -0.1947 0.5781 0.5781 0.8699 0.8699 1.7310 1.7310 2.0102 2.0102 2.4018 2.4018 3.5539 3.5539 3.6001 3.6001 3.6978 3.6978 3.8560 3.8560 3.8791 3.8791 4.2770 4.2770 4.5529 4.5529 4.5791 4.5791 5.0562 5.0562 5.2484 5.2484 5.3944 5.3944 5.8175 5.8175 5.8960 5.8960 6.0427 6.0427 6.2808 6.2808 6.5632 6.5632 12.6438 12.6438 15.1067 15.1067 15.3365 15.3365 15.5729 15.5729 15.8057 15.8057 17.0449 17.0449 k = 0.0000 0.0176-0.0000 ( 4222 PWs) bands (ev): -13.9831 -13.9831 -13.6238 -13.6238 -12.8430 -12.8430 -12.4407 -12.4407 -10.8283 -10.8283 -10.6322 -10.6322 -9.9428 -9.9428 -9.8531 -9.8531 -2.4286 -2.4286 -2.1067 -2.1067 -0.2015 -0.2015 0.5877 0.5877 0.8820 0.8820 1.7203 1.7203 2.0194 2.0194 2.3784 2.3784 3.5520 3.5520 3.6038 3.6038 3.7055 3.7055 3.8780 3.8780 3.8854 3.8854 4.2352 4.2352 4.5443 4.5443 4.5773 4.5773 5.0580 5.0580 5.2498 5.2498 5.3932 5.3932 5.8202 5.8202 5.8976 5.8976 6.0445 6.0445 6.2971 6.2971 6.5651 6.5651 12.6275 12.6275 15.1043 15.1043 15.3372 15.3372 15.5699 15.5699 15.8025 15.8025 17.0874 17.0874 k = 0.0000 0.0088-0.0000 ( 4217 PWs) bands (ev): -13.9849 -13.9849 -13.6251 -13.6251 -12.8436 -12.8436 -12.4396 -12.4396 -10.8269 -10.8269 -10.6329 -10.6329 -9.9400 -9.9400 -9.8500 -9.8500 -2.4330 -2.4330 -2.1079 -2.1079 -0.2056 -0.2056 0.5937 0.5937 0.8894 0.8894 1.7138 1.7138 2.0255 2.0255 2.3636 2.3636 3.5508 3.5508 3.6053 3.6053 3.7102 3.7102 3.8775 3.8775 3.9089 3.9089 4.2048 4.2048 4.5391 4.5391 4.5761 4.5761 5.0591 5.0591 5.2507 5.2507 5.3925 5.3925 5.8219 5.8219 5.8986 5.8986 6.0456 6.0456 6.3071 6.3071 6.5662 6.5662 12.6176 12.6176 15.1029 15.1029 15.3376 15.3376 15.5680 15.5680 15.8006 15.8006 17.1165 17.1165 k = 0.0000 0.0000 0.0000 ( 4205 PWs) bands (ev): -13.9855 -13.9855 -13.6255 -13.6255 -12.8438 -12.8438 -12.4392 -12.4392 -10.8264 -10.8264 -10.6331 -10.6331 -9.9391 -9.9391 -9.8490 -9.8490 -2.4345 -2.4345 -2.1084 -2.1084 -0.2070 -0.2070 0.5958 0.5958 0.8919 0.8919 1.7115 1.7115 2.0277 2.0277 2.3585 2.3585 3.5504 3.5504 3.6056 3.6056 3.7119 3.7119 3.8773 3.8773 3.9183 3.9183 4.1933 4.1933 4.5373 4.5373 4.5758 4.5758 5.0595 5.0595 5.2510 5.2510 5.3923 5.3923 5.8224 5.8224 5.8989 5.8989 6.0460 6.0460 6.3105 6.3105 6.5665 6.5665 12.6143 12.6143 15.1024 15.1024 15.3378 15.3378 15.5674 15.5674 15.8000 15.8000 17.1270 17.1270 k = 0.0000 0.0000 0.0000 ( 4205 PWs) bands (ev): -13.9855 -13.9855 -13.6255 -13.6255 -12.8438 -12.8438 -12.4392 -12.4392 -10.8264 -10.8264 -10.6331 -10.6331 -9.9391 -9.9391 -9.8490 -9.8490 -2.4345 -2.4345 -2.1084 -2.1084 -0.2070 -0.2070 0.5958 0.5958 0.8919 0.8919 1.7115 1.7115 2.0277 2.0277 2.3585 2.3585 3.5504 3.5504 3.6056 3.6056 3.7119 3.7119 3.8773 3.8773 3.9183 3.9183 4.1933 4.1933 4.5373 4.5373 4.5758 4.5758 5.0595 5.0595 5.2510 5.2510 5.3923 5.3923 5.8224 5.8224 5.8989 5.8989 6.0460 6.0460 6.3105 6.3105 6.5665 6.5665 12.6143 12.6143 15.1024 15.1024 15.3378 15.3378 15.5674 15.5674 15.8000 15.8000 17.1270 17.1270 k = 0.0000 0.0000 0.0089 ( 4221 PWs) bands (ev): -13.9849 -13.9849 -13.6267 -13.6267 -12.8425 -12.8425 -12.4398 -12.4398 -10.8261 -10.8261 -10.6337 -10.6337 -9.9388 -9.9388 -9.8491 -9.8491 -2.4339 -2.4339 -2.1093 -2.1093 -0.2050 -0.2050 0.5974 0.5974 0.8889 0.8889 1.7054 1.7054 2.0291 2.0291 2.3641 2.3641 3.5501 3.5501 3.5777 3.5777 3.7398 3.7398 3.8762 3.8762 3.9160 3.9160 4.1985 4.1985 4.5371 4.5371 4.5772 4.5772 5.0587 5.0587 5.2511 5.2511 5.3918 5.3918 5.8227 5.8227 5.8988 5.8988 6.0426 6.0426 6.3107 6.3107 6.5656 6.5656 12.6180 12.6180 15.0674 15.0674 15.3705 15.3705 15.5700 15.5700 15.8020 15.8020 17.1232 17.1232 k = 0.0000 0.0000 0.0178 ( 4219 PWs) bands (ev): -13.9832 -13.9832 -13.6303 -13.6303 -12.8385 -12.8385 -12.4417 -12.4417 -10.8253 -10.8253 -10.6355 -10.6355 -9.9377 -9.9377 -9.8494 -9.8494 -2.4323 -2.4323 -2.1119 -2.1119 -0.1989 -0.1989 0.6023 0.6023 0.8800 0.8800 1.6876 1.6876 2.0332 2.0332 2.3802 2.3802 3.5221 3.5221 3.5544 3.5544 3.7906 3.7906 3.8728 3.8728 3.9093 3.9093 4.2141 4.2141 4.5365 4.5365 4.5816 4.5816 5.0564 5.0564 5.2514 5.2514 5.3905 5.3905 5.8237 5.8237 5.8987 5.8987 6.0325 6.0325 6.3115 6.3115 6.5629 6.5629 12.6289 12.6289 14.9915 14.9915 15.4397 15.4397 15.5776 15.5776 15.8080 15.8080 17.1122 17.1122 k = 0.0000 0.0000 0.0266 ( 4221 PWs) bands (ev): -13.9805 -13.9805 -13.6361 -13.6361 -12.8321 -12.8321 -12.4447 -12.4447 -10.8240 -10.8240 -10.6386 -10.6386 -9.9360 -9.9360 -9.8498 -9.8498 -2.4295 -2.4295 -2.1163 -2.1163 -0.1889 -0.1889 0.6103 0.6103 0.8654 0.8654 1.6600 1.6600 2.0402 2.0402 2.4045 2.4045 3.4664 3.4664 3.5560 3.5560 3.8432 3.8432 3.8677 3.8677 3.8983 3.8983 4.2405 4.2405 4.5353 4.5353 4.5887 4.5887 5.0526 5.0526 5.2520 5.2520 5.3883 5.3883 5.8253 5.8253 5.8983 5.8983 6.0159 6.0159 6.3127 6.3127 6.5585 6.5585 12.6470 12.6470 14.9016 14.9016 15.5182 15.5182 15.5901 15.5901 15.8182 15.8182 17.0949 17.0949 k = 0.0000 0.0000 0.0355 ( 4227 PWs) bands (ev): -13.9766 -13.9766 -13.6440 -13.6440 -12.8232 -12.8232 -12.4489 -12.4489 -10.8221 -10.8221 -10.6427 -10.6427 -9.9337 -9.9337 -9.8504 -9.8504 -2.4256 -2.4256 -2.1224 -2.1224 -0.1749 -0.1749 0.6215 0.6215 0.8452 0.8452 1.6250 1.6250 2.0498 2.0498 2.4342 2.4342 3.4113 3.4113 3.5593 3.5593 3.8591 3.8591 3.8812 3.8812 3.8969 3.8969 4.2775 4.2775 4.5335 4.5335 4.5984 4.5984 5.0472 5.0472 5.2528 5.2528 5.3852 5.3852 5.8275 5.8275 5.8978 5.8978 5.9928 5.9928 6.3145 6.3145 6.5525 6.5525 12.6722 12.6722 14.8058 14.8058 15.5976 15.5976 15.6073 15.6073 15.8327 15.8327 17.0729 17.0729 k = 0.0000 0.0000 0.0444 ( 4221 PWs) bands (ev): -13.9717 -13.9717 -13.6539 -13.6539 -12.8122 -12.8122 -12.4543 -12.4543 -10.8197 -10.8197 -10.6479 -10.6479 -9.9309 -9.9309 -9.8513 -9.8513 -2.4206 -2.4206 -2.1300 -2.1300 -0.1572 -0.1572 0.6359 0.6359 0.8199 0.8199 1.5844 1.5844 2.0622 2.0622 2.4665 2.4665 3.3595 3.3595 3.5636 3.5636 3.8498 3.8498 3.8632 3.8632 3.9429 3.9429 4.3246 4.3246 4.5309 4.5309 4.6104 4.6104 5.0402 5.0402 5.2540 5.2540 5.3814 5.3814 5.8302 5.8302 5.8968 5.8968 5.9639 5.9639 6.3169 6.3169 6.5450 6.5450 12.7042 12.7042 14.7070 14.7070 15.6284 15.6284 15.6748 15.6748 15.8518 15.8518 17.0477 17.0477 k = 0.0000 0.0000 0.0533 ( 4219 PWs) bands (ev): -13.9657 -13.9657 -13.6654 -13.6654 -12.7994 -12.7994 -12.4609 -12.4609 -10.8167 -10.8167 -10.6540 -10.6540 -9.9275 -9.9275 -9.8523 -9.8523 -2.4145 -2.4145 -2.1390 -2.1390 -0.1358 -0.1358 0.6532 0.6532 0.7899 0.7899 1.5401 1.5401 2.0772 2.0772 2.4985 2.4985 3.3129 3.3129 3.5689 3.5689 3.8365 3.8365 3.8428 3.8428 3.9864 3.9864 4.3807 4.3807 4.5271 4.5271 4.6246 4.6246 5.0316 5.0316 5.2557 5.2557 5.3769 5.3769 5.8333 5.8333 5.8941 5.8941 5.9304 5.9304 6.3199 6.3199 6.5361 6.5361 12.7428 12.7428 14.6064 14.6064 15.6533 15.6533 15.7477 15.7477 15.8757 15.8757 17.0213 17.0213 k = 0.0000 0.0000 0.0621 ( 4217 PWs) bands (ev): -13.9587 -13.9587 -13.6783 -13.6783 -12.7849 -12.7849 -12.4687 -12.4687 -10.8132 -10.8132 -10.6609 -10.6609 -9.9237 -9.9237 -9.8536 -9.8536 -2.4074 -2.4074 -2.1493 -2.1493 -0.1108 -0.1108 0.6734 0.6734 0.7556 0.7556 1.4934 1.4934 2.0948 2.0948 2.5273 2.5273 3.2735 3.2735 3.5751 3.5751 3.8121 3.8121 3.8286 3.8286 4.0271 4.0271 4.4441 4.4441 4.5222 4.5222 4.6406 4.6406 5.0215 5.0215 5.2577 5.2577 5.3718 5.3718 5.8369 5.8369 5.8777 5.8777 5.9047 5.9047 6.3235 6.3235 6.5259 6.5259 12.7878 12.7878 14.5049 14.5049 15.6810 15.6810 15.8151 15.8151 15.9048 15.9048 16.9953 16.9953 k = 0.0000 0.0000 0.0710 ( 4217 PWs) bands (ev): -13.9506 -13.9506 -13.6924 -13.6924 -12.7690 -12.7690 -12.4776 -12.4776 -10.8092 -10.8092 -10.6685 -10.6685 -9.9196 -9.9196 -9.8550 -9.8550 -2.3993 -2.3993 -2.1607 -2.1607 -0.0825 -0.0825 0.6956 0.6956 0.7185 0.7185 1.4451 1.4451 2.1150 2.1150 2.5501 2.5501 3.2432 3.2432 3.5823 3.5823 3.7825 3.7825 3.8152 3.8152 4.0656 4.0656 4.5080 4.5080 4.5211 4.5211 4.6583 4.6583 5.0098 5.0098 5.2603 5.2603 5.3662 5.3662 5.8354 5.8354 5.8408 5.8408 5.8992 5.8992 6.3278 6.3278 6.5147 6.5147 12.8389 12.8389 14.4028 14.4028 15.7110 15.7110 15.8756 15.8756 15.9395 15.9395 16.9714 16.9714 k = 0.0000 0.0000 0.0799 ( 4221 PWs) bands (ev): -13.9416 -13.9416 -13.7075 -13.7075 -12.7520 -12.7520 -12.4877 -12.4877 -10.8046 -10.8046 -10.6767 -10.6767 -9.9153 -9.9153 -9.8567 -9.8567 -2.3902 -2.3902 -2.1732 -2.1732 -0.0511 -0.0511 0.6749 0.6749 0.7237 0.7237 1.3959 1.3959 2.1376 2.1376 2.5645 2.5645 3.2241 3.2241 3.5903 3.5903 3.7499 3.7499 3.8013 3.8013 4.1026 4.1026 4.5058 4.5058 4.5886 4.5886 4.6773 4.6773 4.9967 4.9967 5.2634 5.2634 5.3601 5.3601 5.7845 5.7845 5.8448 5.8448 5.8971 5.8971 6.3327 6.3327 6.5027 6.5027 12.8957 12.8957 14.3005 14.3005 15.7425 15.7425 15.9278 15.9278 15.9801 15.9801 16.9511 16.9511 k = 0.0000 0.0000 0.0888 ( 4221 PWs) bands (ev): -13.9315 -13.9315 -13.7232 -13.7232 -12.7343 -12.7343 -12.4989 -12.4989 -10.7994 -10.7994 -10.6854 -10.6854 -9.9107 -9.9107 -9.8587 -9.8587 -2.3802 -2.3802 -2.1865 -2.1865 -0.0166 -0.0166 0.6311 0.6311 0.7519 0.7519 1.3464 1.3464 2.1626 2.1626 2.5687 2.5687 3.2174 3.2174 3.5992 3.5992 3.7146 3.7146 3.7867 3.7867 4.1384 4.1384 4.4955 4.4955 4.6651 4.6651 4.6979 4.6979 4.9821 4.9821 5.2670 5.2670 5.3536 5.3536 5.7282 5.7282 5.8491 5.8491 5.8954 5.8954 6.3384 6.3384 6.4901 6.4901 12.9578 12.9578 14.1984 14.1984 15.7749 15.7749 15.9705 15.9705 16.0266 16.0266 16.9347 16.9347 k = 0.0000 0.0000 0.0977 ( 4226 PWs) bands (ev): -13.9206 -13.9206 -13.7395 -13.7395 -12.7159 -12.7159 -12.5111 -12.5111 -10.7937 -10.7937 -10.6944 -10.6944 -9.9061 -9.9061 -9.8609 -9.8609 -2.3694 -2.3694 -2.2005 -2.2005 0.0205 0.0205 0.5849 0.5849 0.7829 0.7829 1.2970 1.2970 2.1899 2.1899 2.5624 2.5624 3.2232 3.2232 3.6089 3.6089 3.6769 3.6769 3.7718 3.7718 4.1734 4.1734 4.4830 4.4830 4.7169 4.7169 4.7463 4.7463 4.9662 4.9662 5.2711 5.2711 5.3469 5.3469 5.6674 5.6674 5.8534 5.8534 5.8936 5.8936 6.3448 6.3448 6.4770 6.4770 13.0250 13.0250 14.0968 14.0968 15.8076 15.8076 16.0026 16.0026 16.0790 16.0790 16.9175 16.9175 k = 0.0000 0.0000 0.1065 ( 4226 PWs) bands (ev): -13.9088 -13.9088 -13.7561 -13.7561 -12.6971 -12.6971 -12.5243 -12.5243 -10.7875 -10.7875 -10.7037 -10.7037 -9.9014 -9.9014 -9.8634 -9.8634 -2.3577 -2.3577 -2.2150 -2.2150 0.0603 0.0603 0.5369 0.5369 0.8164 0.8164 1.2478 1.2478 2.2193 2.2193 2.5464 2.5464 3.2403 3.2403 3.6194 3.6194 3.6373 3.6373 3.7567 3.7567 4.2075 4.2075 4.4682 4.4682 4.7391 4.7391 4.8266 4.8266 4.9491 4.9491 5.2757 5.2757 5.3399 5.3399 5.6025 5.6025 5.8578 5.8578 5.8916 5.8916 6.3521 6.3521 6.4637 6.4637 13.0969 13.0969 13.9960 13.9960 15.8404 15.8404 16.0236 16.0236 16.1370 16.1370 16.8780 16.8780 k = 0.0000 0.0000 0.1154 ( 4224 PWs) bands (ev): -13.8961 -13.8961 -13.7728 -13.7728 -12.6781 -12.6781 -12.5386 -12.5386 -10.7808 -10.7808 -10.7130 -10.7130 -9.8968 -9.8968 -9.8661 -9.8661 -2.3453 -2.3453 -2.2298 -2.2298 0.1023 0.1023 0.4877 0.4877 0.8520 0.8520 1.1992 1.1992 2.2506 2.2506 2.5228 2.5228 3.2665 3.2665 3.5959 3.5959 3.6307 3.6307 3.7415 3.7415 4.2407 4.2407 4.4511 4.4511 4.7611 4.7611 4.9082 4.9082 4.9309 4.9309 5.2808 5.2808 5.3329 5.3329 5.5341 5.5341 5.8621 5.8621 5.8894 5.8894 6.3601 6.3601 6.4504 6.4504 13.1731 13.1731 13.8963 13.8963 15.8727 15.8727 16.0337 16.0337 16.2002 16.2002 16.8100 16.8100 k = 0.0000 0.0000 0.1243 ( 4232 PWs) bands (ev): -13.8827 -13.8827 -13.7895 -13.7895 -12.6592 -12.6592 -12.5537 -12.5537 -10.7736 -10.7736 -10.7223 -10.7223 -9.8923 -9.8923 -9.8691 -9.8691 -2.3323 -2.3323 -2.2449 -2.2449 0.1464 0.1464 0.4378 0.4378 0.8898 0.8898 1.1513 1.1513 2.2836 2.2836 2.4935 2.4935 3.2996 3.2996 3.5532 3.5532 3.6427 3.6427 3.7264 3.7264 4.2728 4.2728 4.4318 4.4318 4.7833 4.7833 4.9117 4.9117 4.9902 4.9902 5.2863 5.2863 5.3258 5.3258 5.4626 5.4626 5.8662 5.8662 5.8869 5.8869 6.3690 6.3690 6.4373 6.4373 13.2533 13.2533 13.7979 13.7979 15.9042 15.9042 16.0337 16.0337 16.2680 16.2680 16.7326 16.7326 k = 0.0000 0.0000 0.1332 ( 4234 PWs) bands (ev): -13.8685 -13.8685 -13.8061 -13.8061 -12.6404 -12.6404 -12.5697 -12.5697 -10.7659 -10.7659 -10.7315 -10.7315 -9.8879 -9.8879 -9.8724 -9.8724 -2.3186 -2.3186 -2.2600 -2.2600 0.1923 0.1923 0.3877 0.3877 0.9295 0.9295 1.1044 1.1044 2.3181 2.3181 2.4606 2.4606 3.3376 3.3376 3.5096 3.5096 3.6554 3.6554 3.7114 3.7114 4.3037 4.3037 4.4102 4.4102 4.8055 4.8055 4.8916 4.8916 5.0720 5.0720 5.2922 5.2922 5.3187 5.3187 5.3883 5.3883 5.8703 5.8703 5.8841 5.8841 6.3786 6.3786 6.4244 6.4244 13.3370 13.3370 13.7012 13.7012 15.9344 15.9344 16.0250 16.0250 16.3398 16.3398 16.6525 16.6525 k = 0.0000 0.0000 0.1421 ( 4242 PWs) bands (ev): -13.8537 -13.8537 -13.8224 -13.8224 -12.6220 -12.6220 -12.5865 -12.5865 -10.7578 -10.7578 -10.7406 -10.7406 -9.8837 -9.8837 -9.8759 -9.8759 -2.3044 -2.3044 -2.2750 -2.2750 0.2396 0.2396 0.3377 0.3377 0.9710 0.9710 1.0585 1.0585 2.3536 2.3536 2.4256 2.4256 3.3787 3.3787 3.4656 3.4656 3.6686 3.6686 3.6967 3.6967 4.3330 4.3330 4.3864 4.3864 4.8276 4.8276 4.8708 4.8708 5.1531 5.1531 5.2985 5.2985 5.3110 5.3110 5.3124 5.3124 5.8741 5.8741 5.8810 5.8810 6.3891 6.3891 6.4120 6.4120 13.4240 13.4240 13.6064 13.6064 15.9626 15.9626 16.0092 16.0092 16.4149 16.4149 16.5721 16.5721 k = 0.0000 0.0000 0.1509 ( 4238 PWs) bands (ev): -13.8383 -13.8383 -13.8383 -13.8383 -12.6039 -12.6039 -12.6039 -12.6039 -10.7494 -10.7494 -10.7494 -10.7494 -9.8797 -9.8797 -9.8797 -9.8797 -2.2899 -2.2899 -2.2899 -2.2899 0.2882 0.2882 0.2882 0.2882 1.0140 1.0140 1.0140 1.0140 2.3896 2.3896 2.3896 2.3896 3.4217 3.4217 3.4217 3.4217 3.6825 3.6825 3.6825 3.6825 4.3607 4.3607 4.3607 4.3607 4.8494 4.8494 4.8494 4.8494 5.2331 5.2331 5.2331 5.2331 5.3050 5.3050 5.3050 5.3050 5.8777 5.8777 5.8777 5.8777 6.4002 6.4002 6.4002 6.4002 13.5139 13.5139 13.5139 13.5139 15.9880 15.9880 15.9880 15.9880 16.4926 16.4926 16.4926 16.4926 k = 0.0000 0.0000 0.1509 ( 4238 PWs) bands (ev): -13.8383 -13.8383 -13.8383 -13.8383 -12.6039 -12.6039 -12.6039 -12.6039 -10.7494 -10.7494 -10.7494 -10.7494 -9.8797 -9.8797 -9.8797 -9.8797 -2.2899 -2.2899 -2.2899 -2.2899 0.2882 0.2882 0.2882 0.2882 1.0140 1.0140 1.0140 1.0140 2.3896 2.3896 2.3896 2.3896 3.4217 3.4217 3.4217 3.4217 3.6825 3.6825 3.6825 3.6825 4.3607 4.3607 4.3607 4.3607 4.8494 4.8494 4.8494 4.8494 5.2331 5.2331 5.2331 5.2331 5.3050 5.3050 5.3050 5.3050 5.8777 5.8777 5.8777 5.8777 6.4002 6.4002 6.4002 6.4002 13.5139 13.5139 13.5139 13.5139 15.9880 15.9880 15.9880 15.9880 16.4926 16.4926 16.4926 16.4926 k = 0.0089-0.0000 0.1509 ( 4234 PWs) bands (ev): -13.8377 -13.8377 -13.8377 -13.8377 -12.6037 -12.6037 -12.6037 -12.6037 -10.7490 -10.7490 -10.7490 -10.7490 -9.8795 -9.8795 -9.8794 -9.8794 -2.2893 -2.2893 -2.2893 -2.2893 0.2885 0.2885 0.2886 0.2886 1.0141 1.0141 1.0141 1.0141 2.3893 2.3893 2.3894 2.3894 3.4204 3.4204 3.4216 3.4216 3.6807 3.6807 3.6825 3.6825 4.3594 4.3594 4.3604 4.3604 4.8430 4.8430 4.8434 4.8434 5.2357 5.2357 5.2361 5.2361 5.3029 5.3029 5.3030 5.3030 5.8761 5.8761 5.8765 5.8765 6.4000 6.4000 6.4002 6.4002 13.5167 13.5167 13.5167 13.5167 15.9919 15.9919 15.9919 15.9919 16.4954 16.4954 16.4956 16.4956 k = 0.0179-0.0000 0.1509 ( 4234 PWs) bands (ev): -13.8359 -13.8359 -13.8359 -13.8359 -12.6031 -12.6031 -12.6031 -12.6031 -10.7477 -10.7477 -10.7477 -10.7477 -9.8790 -9.8790 -9.8788 -9.8788 -2.2876 -2.2876 -2.2876 -2.2876 0.2894 0.2894 0.2895 0.2895 1.0143 1.0143 1.0143 1.0143 2.3883 2.3883 2.3885 2.3885 3.4177 3.4177 3.4200 3.4200 3.6774 3.6774 3.6810 3.6810 4.3564 4.3564 4.3585 4.3585 4.8250 4.8250 4.8258 4.8258 5.2430 5.2430 5.2438 5.2438 5.2967 5.2967 5.2970 5.2970 5.8719 5.8719 5.8727 5.8727 6.3997 6.3997 6.4000 6.4000 13.5249 13.5249 13.5250 13.5250 16.0037 16.0037 16.0038 16.0038 16.5038 16.5038 16.5043 16.5043 k = 0.0268-0.0000 0.1509 ( 4234 PWs) bands (ev): -13.8330 -13.8330 -13.8330 -13.8330 -12.6020 -12.6020 -12.6020 -12.6020 -10.7457 -10.7457 -10.7457 -10.7457 -9.8780 -9.8780 -9.8778 -9.8778 -2.2848 -2.2848 -2.2848 -2.2848 0.2909 0.2909 0.2910 0.2910 1.0146 1.0146 1.0147 1.0147 2.3867 2.3867 2.3870 2.3870 3.4134 3.4134 3.4168 3.4168 3.6727 3.6727 3.6780 3.6780 4.3516 4.3516 4.3547 4.3547 4.7972 4.7972 4.7984 4.7984 5.2527 5.2527 5.2541 5.2541 5.2868 5.2868 5.2873 5.2873 5.8652 5.8652 5.8665 5.8665 6.3991 6.3991 6.3995 6.3995 13.5387 13.5387 13.5388 13.5388 16.0233 16.0233 16.0234 16.0234 16.5180 16.5180 16.5186 16.5186 k = 0.0357-0.0000 0.1509 ( 4228 PWs) bands (ev): -13.8289 -13.8289 -13.8288 -13.8288 -12.6005 -12.6005 -12.6004 -12.6004 -10.7428 -10.7428 -10.7428 -10.7428 -9.8767 -9.8767 -9.8764 -9.8764 -2.2808 -2.2808 -2.2808 -2.2808 0.2930 0.2930 0.2931 0.2931 1.0151 1.0151 1.0152 1.0152 2.3844 2.3844 2.3849 2.3849 3.4074 3.4074 3.4118 3.4118 3.6670 3.6670 3.6739 3.6739 4.3446 4.3446 4.3489 4.3489 4.7620 4.7620 4.7638 4.7638 5.2597 5.2597 5.2619 5.2619 5.2759 5.2759 5.2769 5.2769 5.8566 5.8566 5.8583 5.8583 6.3982 6.3982 6.3989 6.3989 13.5578 13.5578 13.5579 13.5579 16.0506 16.0506 16.0507 16.0507 16.5377 16.5377 16.5385 16.5385 k = 0.0446-0.0000 0.1509 ( 4232 PWs) bands (ev): -13.8236 -13.8236 -13.8236 -13.8236 -12.5985 -12.5985 -12.5985 -12.5985 -10.7392 -10.7392 -10.7391 -10.7391 -9.8750 -9.8750 -9.8747 -9.8747 -2.2757 -2.2757 -2.2757 -2.2757 0.2955 0.2955 0.2957 0.2957 1.0157 1.0157 1.0158 1.0158 2.3813 2.3813 2.3820 2.3820 3.3994 3.3994 3.4047 3.4047 3.6607 3.6607 3.6692 3.6692 4.3349 4.3349 4.3403 4.3403 4.7217 4.7217 4.7241 4.7241 5.2494 5.2494 5.2505 5.2505 5.2785 5.2785 5.2791 5.2791 5.8464 5.8464 5.8487 5.8487 6.3971 6.3971 6.3980 6.3980 13.5822 13.5822 13.5823 13.5823 16.0852 16.0852 16.0853 16.0853 16.5627 16.5627 16.5638 16.5638 k = 0.0536-0.0000 0.1509 ( 4236 PWs) bands (ev): -13.8172 -13.8172 -13.8172 -13.8172 -12.5962 -12.5962 -12.5962 -12.5962 -10.7347 -10.7347 -10.7346 -10.7346 -9.8730 -9.8730 -9.8725 -9.8725 -2.2695 -2.2695 -2.2695 -2.2695 0.2986 0.2986 0.2988 0.2988 1.0164 1.0164 1.0165 1.0165 2.3775 2.3775 2.3782 2.3782 3.3891 3.3891 3.3952 3.3952 3.6543 3.6543 3.6642 3.6642 4.3216 4.3216 4.3283 4.3283 4.6784 4.6784 4.6816 4.6816 5.2285 5.2285 5.2291 5.2291 5.2840 5.2840 5.2853 5.2853 5.8354 5.8354 5.8382 5.8382 6.3957 6.3957 6.3968 6.3968 13.6117 13.6117 13.6118 13.6118 16.1270 16.1270 16.1271 16.1271 16.5930 16.5930 16.5943 16.5943 k = 0.0625-0.0000 0.1509 ( 4232 PWs) bands (ev): -13.8096 -13.8096 -13.8096 -13.8096 -12.5935 -12.5935 -12.5934 -12.5934 -10.7294 -10.7294 -10.7293 -10.7293 -9.8705 -9.8705 -9.8700 -9.8700 -2.2622 -2.2622 -2.2622 -2.2622 0.3020 0.3020 0.3022 0.3022 1.0172 1.0172 1.0174 1.0174 2.3727 2.3727 2.3736 2.3736 3.3765 3.3765 3.3831 3.3831 3.6484 3.6484 3.6595 3.6595 4.3037 4.3037 4.3118 4.3118 4.6342 4.6342 4.6382 4.6382 5.2032 5.2032 5.2036 5.2036 5.2858 5.2858 5.2877 5.2877 5.8243 5.8243 5.8277 5.8277 6.3940 6.3940 6.3952 6.3952 13.6460 13.6460 13.6462 13.6462 16.1757 16.1757 16.1758 16.1758 16.6284 16.6284 16.6298 16.6298 k = 0.0714-0.0000 0.1509 ( 4228 PWs) bands (ev): -13.8009 -13.8009 -13.8009 -13.8009 -12.5903 -12.5903 -12.5903 -12.5903 -10.7233 -10.7233 -10.7232 -10.7232 -9.8678 -9.8678 -9.8672 -9.8672 -2.2538 -2.2538 -2.2537 -2.2537 0.3057 0.3057 0.3060 0.3060 1.0182 1.0182 1.0184 1.0184 2.3669 2.3669 2.3680 2.3680 3.3613 3.3613 3.3681 3.3681 3.6435 3.6435 3.6555 3.6555 4.2799 4.2799 4.2894 4.2894 4.5911 4.5911 4.5959 4.5959 5.1743 5.1743 5.1747 5.1747 5.2823 5.2823 5.2846 5.2846 5.8140 5.8140 5.8179 5.8179 6.3919 6.3919 6.3933 6.3933 13.6850 13.6850 13.6852 13.6852 16.2307 16.2307 16.2308 16.2308 16.6684 16.6684 16.6701 16.6701 k = 0.0804-0.0000 0.1509 ( 4214 PWs) bands (ev): -13.7911 -13.7911 -13.7910 -13.7910 -12.5868 -12.5868 -12.5868 -12.5868 -10.7164 -10.7164 -10.7163 -10.7163 -9.8647 -9.8647 -9.8641 -9.8641 -2.2442 -2.2442 -2.2442 -2.2442 0.3097 0.3097 0.3100 0.3100 1.0193 1.0193 1.0196 1.0196 2.3600 2.3600 2.3613 2.3613 3.3434 3.3434 3.3503 3.3503 3.6398 3.6398 3.6525 3.6525 4.2490 4.2490 4.2596 4.2596 4.5511 4.5511 4.5566 4.5566 5.1424 5.1424 5.1429 5.1429 5.2726 5.2726 5.2752 5.2752 5.8050 5.8050 5.8095 5.8095 6.3894 6.3894 6.3910 6.3910 13.7285 13.7285 13.7287 13.7287 16.2917 16.2917 16.2918 16.2918 16.7130 16.7130 16.7148 16.7148 k = 0.0893-0.0000 0.1509 ( 4214 PWs) bands (ev): -13.7801 -13.7801 -13.7801 -13.7801 -12.5830 -12.5830 -12.5830 -12.5830 -10.7088 -10.7088 -10.7086 -10.7086 -9.8613 -9.8613 -9.8606 -9.8606 -2.2337 -2.2337 -2.2336 -2.2336 0.3137 0.3137 0.3141 0.3141 1.0206 1.0206 1.0209 1.0209 2.3519 2.3519 2.3533 2.3533 3.3231 3.3231 3.3297 3.3297 3.6377 3.6377 3.6508 3.6508 4.2101 4.2101 4.2216 4.2216 4.5155 4.5155 4.5213 4.5213 5.1078 5.1078 5.1083 5.1083 5.2563 5.2563 5.2591 5.2591 5.7979 5.7979 5.8027 5.8027 6.3864 6.3864 6.3882 6.3882 13.7762 13.7762 13.7763 13.7763 16.3581 16.3581 16.3582 16.3582 16.7617 16.7617 16.7637 16.7637 k = 0.0982-0.0000 0.1509 ( 4222 PWs) bands (ev): -13.7681 -13.7681 -13.7681 -13.7681 -12.5789 -12.5789 -12.5788 -12.5788 -10.7003 -10.7003 -10.7002 -10.7002 -9.8576 -9.8576 -9.8569 -9.8569 -2.2220 -2.2220 -2.2220 -2.2220 0.3177 0.3177 0.3181 0.3181 1.0220 1.0220 1.0223 1.0223 2.3425 2.3425 2.3441 2.3441 3.3004 3.3004 3.3066 3.3066 3.6371 3.6371 3.6504 3.6504 4.1634 4.1634 4.1753 4.1753 4.4846 4.4846 4.4903 4.4903 5.0709 5.0709 5.0715 5.0715 5.2334 5.2334 5.2363 5.2363 5.7927 5.7927 5.7978 5.7978 6.3829 6.3829 6.3850 6.3850 13.8277 13.8277 13.8279 13.8279 16.4294 16.4294 16.4295 16.4295 16.8142 16.8142 16.8164 16.8164 k = 0.1071-0.0000 0.1509 ( 4224 PWs) bands (ev): -13.7550 -13.7550 -13.7549 -13.7549 -12.5744 -12.5744 -12.5744 -12.5744 -10.6912 -10.6912 -10.6910 -10.6910 -9.8537 -9.8537 -9.8529 -9.8529 -2.2094 -2.2094 -2.2093 -2.2093 0.3215 0.3215 0.3219 0.3219 1.0235 1.0235 1.0239 1.0239 2.3316 2.3316 2.3334 2.3334 3.2756 3.2756 3.2812 3.2812 3.6381 3.6381 3.6514 3.6514 4.1098 4.1098 4.1219 4.1219 4.4577 4.4577 4.4629 4.4629 5.0321 5.0321 5.0328 5.0328 5.2043 5.2043 5.2072 5.2072 5.7893 5.7893 5.7947 5.7947 6.3789 6.3789 6.3812 6.3812 13.8830 13.8830 13.8831 13.8831 16.5049 16.5049 16.5049 16.5049 16.8702 16.8702 16.8725 16.8725 k = 0.1161-0.0000 0.1509 ( 4216 PWs) bands (ev): -13.7409 -13.7409 -13.7408 -13.7408 -12.5697 -12.5697 -12.5696 -12.5696 -10.6812 -10.6812 -10.6810 -10.6810 -9.8495 -9.8495 -9.8486 -9.8486 -2.1957 -2.1957 -2.1957 -2.1957 0.3249 0.3249 0.3253 0.3253 1.0253 1.0253 1.0258 1.0258 2.3192 2.3192 2.3211 2.3211 3.2490 3.2490 3.2539 3.2539 3.6403 3.6403 3.6536 3.6536 4.0509 4.0509 4.0628 4.0628 4.4333 4.4333 4.4379 4.4379 4.9919 4.9919 4.9927 4.9927 5.1697 5.1697 5.1724 5.1724 5.7875 5.7875 5.7930 5.7930 6.3743 6.3743 6.3769 6.3769 13.9416 13.9416 13.9416 13.9416 16.5838 16.5838 16.5838 16.5838 16.9293 16.9293 16.9317 16.9317 k = 0.1250-0.0000 0.1509 ( 4212 PWs) bands (ev): -13.7257 -13.7257 -13.7256 -13.7256 -12.5648 -12.5648 -12.5647 -12.5647 -10.6706 -10.6706 -10.6704 -10.6704 -9.8451 -9.8451 -9.8441 -9.8441 -2.1810 -2.1810 -2.1810 -2.1810 0.3278 0.3278 0.3282 0.3282 1.0272 1.0272 1.0278 1.0278 2.3053 2.3053 2.3074 2.3074 3.2209 3.2209 3.2249 3.2249 3.6437 3.6437 3.6569 3.6569 3.9881 3.9881 4.0000 4.0000 4.4099 4.4099 4.4139 4.4139 4.9507 4.9507 4.9517 4.9517 5.1303 5.1303 5.1328 5.1328 5.7868 5.7868 5.7924 5.7924 6.3692 6.3692 6.3719 6.3719 14.0033 14.0033 14.0033 14.0033 16.6653 16.6653 16.6654 16.6654 16.9911 16.9911 16.9935 16.9935 k = 0.1339-0.0000 0.1509 ( 4208 PWs) bands (ev): -13.7095 -13.7095 -13.7094 -13.7094 -12.5596 -12.5596 -12.5595 -12.5595 -10.6592 -10.6592 -10.6590 -10.6590 -9.8405 -9.8405 -9.8395 -9.8395 -2.1653 -2.1653 -2.1653 -2.1653 0.3299 0.3299 0.3303 0.3303 1.0294 1.0294 1.0300 1.0300 2.2898 2.2898 2.2920 2.2920 3.1914 3.1914 3.1946 3.1946 3.6476 3.6476 3.6607 3.6607 3.9233 3.9233 3.9350 3.9350 4.3863 4.3863 4.3897 4.3897 4.9090 4.9090 4.9102 4.9102 5.0872 5.0872 5.0893 5.0893 5.7869 5.7869 5.7925 5.7925 6.3634 6.3634 6.3664 6.3664 14.0678 14.0678 14.0678 14.0678 16.7483 16.7483 16.7486 16.7486 17.0552 17.0552 17.0576 17.0576 k = 0.1429-0.0000 0.1509 ( 4212 PWs) bands (ev): -13.6923 -13.6923 -13.6922 -13.6922 -12.5542 -12.5542 -12.5542 -12.5542 -10.6471 -10.6471 -10.6469 -10.6469 -9.8357 -9.8357 -9.8347 -9.8347 -2.1487 -2.1487 -2.1487 -2.1487 0.3310 0.3310 0.3314 0.3314 1.0318 1.0318 1.0326 1.0326 2.2728 2.2728 2.2752 2.2752 3.1607 3.1607 3.1630 3.1630 3.6514 3.6514 3.6642 3.6642 3.8584 3.8584 3.8699 3.8699 4.3614 4.3614 4.3641 4.3641 4.8671 4.8671 4.8687 4.8687 5.0414 5.0414 5.0430 5.0430 5.7872 5.7872 5.7928 5.7928 6.3570 6.3570 6.3601 6.3601 14.1348 14.1348 14.1348 14.1348 16.8318 16.8318 16.8323 16.8323 17.1213 17.1213 17.1236 17.1236 k = 0.1518-0.0000 0.1509 ( 4214 PWs) bands (ev): -13.6741 -13.6741 -13.6740 -13.6740 -12.5488 -12.5488 -12.5487 -12.5487 -10.6344 -10.6344 -10.6342 -10.6342 -9.8308 -9.8308 -9.8297 -9.8297 -2.1311 -2.1311 -2.1311 -2.1311 0.3308 0.3308 0.3313 0.3313 1.0346 1.0346 1.0355 1.0355 2.2544 2.2544 2.2569 2.2569 3.1286 3.1286 3.1302 3.1302 3.6526 3.6526 3.6646 3.6646 3.7970 3.7970 3.8078 3.8078 4.3342 4.3342 4.3364 4.3364 4.8255 4.8255 4.8274 4.8274 4.9940 4.9940 4.9951 4.9951 5.7875 5.7875 5.7931 5.7931 6.3499 6.3499 6.3532 6.3532 14.2040 14.2040 14.2041 14.2041 16.9145 16.9145 16.9152 16.9152 17.1892 17.1892 17.1913 17.1913 k = 0.1607-0.0000 0.1509 ( 4222 PWs) bands (ev): -13.6551 -13.6551 -13.6550 -13.6550 -12.5432 -12.5432 -12.5431 -12.5431 -10.6210 -10.6210 -10.6207 -10.6207 -9.8258 -9.8258 -9.8246 -9.8246 -2.1127 -2.1127 -2.1126 -2.1126 0.3292 0.3292 0.3296 0.3296 1.0377 1.0377 1.0387 1.0387 2.2347 2.2347 2.2373 2.2373 3.0951 3.0951 3.0959 3.0959 3.6447 3.6447 3.6528 3.6528 3.7492 3.7492 3.7562 3.7562 4.3041 4.3041 4.3057 4.3057 4.7841 4.7841 4.7866 4.7866 4.9462 4.9462 4.9466 4.9466 5.7875 5.7875 5.7930 5.7930 6.3421 6.3421 6.3456 6.3456 14.2753 14.2753 14.2755 14.2755 16.9949 16.9949 16.9959 16.9959 17.2584 17.2584 17.2602 17.2602 k = 0.1696-0.0000 0.1509 ( 4222 PWs) bands (ev): -13.6351 -13.6351 -13.6350 -13.6350 -12.5375 -12.5375 -12.5374 -12.5374 -10.6069 -10.6069 -10.6067 -10.6067 -9.8207 -9.8207 -9.8195 -9.8195 -2.0933 -2.0933 -2.0933 -2.0933 0.3258 0.3258 0.3262 0.3262 1.0412 1.0412 1.0423 1.0423 2.2140 2.2140 2.2165 2.2165 3.0598 3.0598 3.0599 3.0599 3.6147 3.6147 3.6149 3.6149 3.7290 3.7290 3.7298 3.7298 4.2705 4.2705 4.2716 4.2716 4.7427 4.7427 4.7458 4.7458 4.8992 4.8992 4.8996 4.8996 5.7869 5.7869 5.7924 5.7924 6.3336 6.3336 6.3373 6.3373 14.3484 14.3484 14.3486 14.3486 17.0715 17.0715 17.0728 17.0728 17.3288 17.3288 17.3301 17.3301 k = 0.1786-0.0000 0.1509 ( 4226 PWs) bands (ev): -13.6142 -13.6142 -13.6141 -13.6141 -12.5318 -12.5318 -12.5317 -12.5317 -10.5922 -10.5922 -10.5920 -10.5920 -9.8156 -9.8156 -9.8143 -9.8143 -2.0731 -2.0731 -2.0731 -2.0731 0.3204 0.3204 0.3209 0.3209 1.0452 1.0452 1.0464 1.0464 2.1924 2.1924 2.1950 2.1950 3.0219 3.0219 3.0223 3.0223 3.5601 3.5601 3.5645 3.5645 3.7248 3.7248 3.7301 3.7301 4.2331 4.2331 4.2338 4.2338 4.7006 4.7006 4.7044 4.7044 4.8545 4.8545 4.8557 4.8557 5.7857 5.7857 5.7910 5.7910 6.3244 6.3244 6.3282 6.3282 14.4229 14.4229 14.4232 14.4232 17.1425 17.1425 17.1442 17.1442 17.3999 17.3999 17.4006 17.4006 k = 0.1875-0.0000 0.1509 ( 4228 PWs) bands (ev): -13.5925 -13.5925 -13.5924 -13.5924 -12.5261 -12.5261 -12.5260 -12.5260 -10.5769 -10.5769 -10.5767 -10.5767 -9.8105 -9.8105 -9.8092 -9.8092 -2.0521 -2.0521 -2.0521 -2.0521 0.3128 0.3128 0.3133 0.3133 1.0496 1.0496 1.0510 1.0510 2.1703 2.1703 2.1729 2.1729 2.9813 2.9813 2.9821 2.9821 3.5020 3.5020 3.5081 3.5081 3.7305 3.7305 3.7376 3.7376 4.1920 4.1920 4.1923 4.1923 4.6571 4.6571 4.6615 4.6615 4.8141 4.8141 4.8161 4.8161 5.7836 5.7836 5.7889 5.7889 6.3144 6.3144 6.3184 6.3184 14.4988 14.4988 14.4992 14.4992 17.2065 17.2065 17.2086 17.2086 17.4710 17.4710 17.4711 17.4711 k = 0.1964-0.0000 0.1509 ( 4228 PWs) bands (ev): -13.5701 -13.5701 -13.5699 -13.5699 -12.5205 -12.5205 -12.5204 -12.5204 -10.5610 -10.5610 -10.5608 -10.5608 -9.8054 -9.8054 -9.8040 -9.8040 -2.0303 -2.0303 -2.0303 -2.0303 0.3028 0.3028 0.3032 0.3032 1.0544 1.0544 1.0560 1.0560 2.1481 2.1481 2.1505 2.1505 2.9377 2.9377 2.9389 2.9389 3.4453 3.4453 3.4519 3.4519 3.7401 3.7401 3.7479 3.7479 4.1473 4.1473 4.1474 4.1474 4.6116 4.6116 4.6163 4.6163 4.7793 4.7793 4.7818 4.7818 5.7806 5.7806 5.7858 5.7858 6.3037 6.3037 6.3078 6.3078 14.5758 14.5758 14.5762 14.5762 17.2623 17.2623 17.2645 17.2645 17.5404 17.5404 17.5409 17.5409 k = 0.2054-0.0000 0.1509 ( 4228 PWs) bands (ev): -13.5468 -13.5468 -13.5467 -13.5467 -12.5150 -12.5150 -12.5149 -12.5149 -10.5446 -10.5446 -10.5443 -10.5443 -9.8004 -9.8004 -9.7990 -9.7990 -2.0077 -2.0077 -2.0077 -2.0077 0.2901 0.2901 0.2906 0.2906 1.0598 1.0598 1.0614 1.0614 2.1259 2.1259 2.1283 2.1283 2.8909 2.8909 2.8921 2.8921 3.3916 3.3916 3.3983 3.3983 3.7517 3.7517 3.7597 3.7597 4.0993 4.0993 4.0997 4.0997 4.5640 4.5640 4.5690 4.5690 4.7504 4.7504 4.7532 4.7532 5.7766 5.7766 5.7817 5.7817 6.2921 6.2921 6.2964 6.2964 14.6537 14.6537 14.6542 14.6542 17.3090 17.3090 17.3113 17.3113 17.6074 17.6074 17.6083 17.6083 k = 0.2143-0.0000 0.1509 ( 4228 PWs) bands (ev): -13.5228 -13.5228 -13.5227 -13.5227 -12.5096 -12.5096 -12.5095 -12.5095 -10.5276 -10.5276 -10.5274 -10.5274 -9.7955 -9.7955 -9.7941 -9.7941 -1.9844 -1.9844 -1.9844 -1.9844 0.2747 0.2747 0.2751 0.2751 1.0655 1.0655 1.0674 1.0674 2.1042 2.1042 2.1064 2.1064 2.8408 2.8408 2.8419 2.8419 3.3417 3.3417 3.3481 3.3481 3.7643 3.7643 3.7724 3.7724 4.0488 4.0488 4.0495 4.0495 4.5151 4.5151 4.5199 4.5199 4.7271 4.7271 4.7300 4.7300 5.7717 5.7717 5.7766 5.7766 6.2798 6.2798 6.2842 6.2842 14.7324 14.7324 14.7329 14.7329 17.3464 17.3464 17.3486 17.3486 17.6703 17.6703 17.6716 17.6716 k = 0.2232-0.0000 0.1509 ( 4230 PWs) bands (ev): -13.4982 -13.4982 -13.4980 -13.4980 -12.5044 -12.5044 -12.5043 -12.5043 -10.5102 -10.5102 -10.5099 -10.5099 -9.7907 -9.7907 -9.7893 -9.7893 -1.9604 -1.9604 -1.9604 -1.9604 0.2564 0.2564 0.2568 0.2568 1.0716 1.0716 1.0736 1.0736 2.0832 2.0832 2.0852 2.0852 2.7875 2.7875 2.7883 2.7883 3.2955 3.2955 3.3014 3.3014 3.7771 3.7771 3.7852 3.7852 3.9969 3.9969 3.9979 3.9979 4.4655 4.4655 4.4702 4.4702 4.7085 4.7085 4.7113 4.7113 5.7657 5.7657 5.7705 5.7705 6.2667 6.2667 6.2712 6.2712 14.8115 14.8115 14.8122 14.8122 17.3744 17.3744 17.3764 17.3764 17.7279 17.7279 17.7291 17.7291 k = 0.2321-0.0000 0.1509 ( 4230 PWs) bands (ev): -13.4729 -13.4729 -13.4727 -13.4727 -12.4994 -12.4994 -12.4994 -12.4994 -10.4922 -10.4922 -10.4919 -10.4919 -9.7862 -9.7862 -9.7847 -9.7847 -1.9358 -1.9358 -1.9358 -1.9358 0.2352 0.2352 0.2356 0.2356 1.0780 1.0780 1.0802 1.0802 2.0631 2.0631 2.0649 2.0649 2.7316 2.7316 2.7320 2.7320 3.2528 3.2528 3.2581 3.2581 3.7888 3.7888 3.7967 3.7967 3.9453 3.9453 3.9465 3.9465 4.4163 4.4163 4.4206 4.4206 4.6938 4.6938 4.6966 4.6966 5.7587 5.7587 5.7634 5.7634 6.2527 6.2527 6.2573 6.2573 14.8911 14.8911 14.8919 14.8919 17.3935 17.3935 17.3951 17.3951 17.7789 17.7789 17.7800 17.7800 k = 0.2411-0.0000 0.1509 ( 4224 PWs) bands (ev): -13.4470 -13.4470 -13.4468 -13.4468 -12.4948 -12.4948 -12.4947 -12.4947 -10.4738 -10.4738 -10.4735 -10.4735 -9.7818 -9.7818 -9.7803 -9.7803 -1.9105 -1.9105 -1.9105 -1.9105 0.2110 0.2110 0.2115 0.2115 1.0846 1.0846 1.0869 1.0869 2.0441 2.0441 2.0456 2.0456 2.6737 2.6737 2.6738 2.6738 3.2130 3.2130 3.2177 3.2177 3.7951 3.7951 3.8023 3.8023 3.8988 3.8988 3.8997 3.8997 4.3681 4.3681 4.3719 4.3719 4.6825 4.6825 4.6851 4.6851 5.7507 5.7507 5.7552 5.7552 6.2380 6.2380 6.2426 6.2426 14.9710 14.9710 14.9718 14.9718 17.4044 17.4044 17.4056 17.4056 17.8229 17.8229 17.8235 17.8235 k = 0.2500-0.0000 0.1509 ( 4224 PWs) bands (ev): -13.4205 -13.4205 -13.4204 -13.4204 -12.4904 -12.4904 -12.4904 -12.4904 -10.4549 -10.4549 -10.4547 -10.4547 -9.7778 -9.7778 -9.7763 -9.7763 -1.8846 -1.8846 -1.8846 -1.8846 0.1841 0.1841 0.1846 0.1846 1.0912 1.0912 1.0936 1.0936 2.0261 2.0261 2.0273 2.0273 2.6144 2.6144 2.6150 2.6150 3.1755 3.1755 3.1795 3.1795 3.7830 3.7830 3.7873 3.7873 3.8710 3.8710 3.8724 3.8724 4.3216 4.3216 4.3250 4.3250 4.6739 4.6739 4.6764 4.6764 5.7417 5.7417 5.7461 5.7461 6.2224 6.2224 6.2272 6.2272 15.0509 15.0509 15.0519 15.0519 17.4079 17.4079 17.4089 17.4089 17.8596 17.8596 17.8596 17.8596 k = 0.2589-0.0000 0.1509 ( 4212 PWs) bands (ev): -13.3935 -13.3935 -13.3934 -13.3934 -12.4865 -12.4865 -12.4864 -12.4864 -10.4357 -10.4357 -10.4355 -10.4355 -9.7740 -9.7740 -9.7725 -9.7725 -1.8581 -1.8581 -1.8581 -1.8581 0.1544 0.1544 0.1549 0.1549 1.0978 1.0978 1.1003 1.1003 2.0091 2.0091 2.0099 2.0099 2.5551 2.5551 2.5562 2.5562 3.1395 3.1395 3.1429 3.1429 3.7441 3.7441 3.7455 3.7455 3.8690 3.8690 3.8724 3.8724 4.2776 4.2776 4.2802 4.2802 4.6677 4.6677 4.6701 4.6701 5.7318 5.7318 5.7360 5.7360 6.2060 6.2060 6.2108 6.2108 15.1309 15.1309 15.1320 15.1320 17.4052 17.4052 17.4058 17.4058 17.8887 17.8887 17.8892 17.8892 k = 0.2679-0.0000 0.1509 ( 4206 PWs) bands (ev): -13.3661 -13.3661 -13.3660 -13.3660 -12.4830 -12.4830 -12.4829 -12.4829 -10.4161 -10.4161 -10.4159 -10.4159 -9.7707 -9.7707 -9.7691 -9.7691 -1.8311 -1.8311 -1.8311 -1.8311 0.1221 0.1221 0.1227 0.1227 1.1041 1.1041 1.1067 1.1067 1.9927 1.9927 1.9931 1.9931 2.4968 2.4968 2.4985 2.4985 3.1046 3.1046 3.1074 3.1074 3.6932 3.6932 3.6935 3.6935 3.8786 3.8786 3.8822 3.8822 4.2367 4.2367 4.2385 4.2385 4.6637 4.6637 4.6660 4.6660 5.7210 5.7210 5.7250 5.7250 6.1888 6.1888 6.1937 6.1937 15.2108 15.2108 15.2119 15.2119 17.3974 17.3974 17.3977 17.3977 17.9108 17.9108 17.9119 17.9119 k = 0.2768-0.0000 0.1509 ( 4202 PWs) bands (ev): -13.3382 -13.3382 -13.3381 -13.3381 -12.4799 -12.4799 -12.4799 -12.4799 -10.3962 -10.3962 -10.3960 -10.3960 -9.7677 -9.7677 -9.7661 -9.7661 -1.8036 -1.8036 -1.8035 -1.8035 0.0874 0.0874 0.0880 0.0880 1.1100 1.1100 1.1128 1.1128 1.9765 1.9765 1.9765 1.9765 2.4409 2.4409 2.4432 2.4432 3.0701 3.0701 3.0724 3.0724 3.6390 3.6390 3.6393 3.6393 3.8905 3.8905 3.8934 3.8934 4.2000 4.2000 4.2006 4.2006 4.6615 4.6615 4.6638 4.6638 5.7093 5.7093 5.7132 5.7132 6.1707 6.1707 6.1757 6.1757 15.2905 15.2905 15.2917 15.2917 17.3854 17.3854 17.3854 17.3854 17.9264 17.9264 17.9279 17.9279 k = 0.2857-0.0000 0.1509 ( 4202 PWs) bands (ev): -13.3101 -13.3101 -13.3099 -13.3099 -12.4774 -12.4774 -12.4774 -12.4774 -10.3760 -10.3760 -10.3758 -10.3758 -9.7651 -9.7651 -9.7635 -9.7635 -1.7756 -1.7756 -1.7755 -1.7755 0.0506 0.0506 0.0512 0.0512 1.1154 1.1154 1.1183 1.1183 1.9591 1.9591 1.9596 1.9596 2.3885 2.3885 2.3914 2.3914 3.0359 3.0359 3.0376 3.0376 3.5844 3.5844 3.5850 3.5850 3.9011 3.9011 3.9027 3.9027 4.1679 4.1679 4.1689 4.1689 4.6611 4.6611 4.6633 4.6633 5.6968 5.6968 5.7005 5.7005 6.1519 6.1519 6.1569 6.1569 15.3699 15.3699 15.3712 15.3712 17.3701 17.3701 17.3703 17.3703 17.9355 17.9355 17.9373 17.9373 k = 0.2946-0.0000 0.1509 ( 4202 PWs) bands (ev): -13.2815 -13.2815 -13.2814 -13.2814 -12.4755 -12.4755 -12.4754 -12.4754 -10.3555 -10.3555 -10.3553 -10.3553 -9.7630 -9.7630 -9.7614 -9.7614 -1.7471 -1.7471 -1.7471 -1.7471 0.0118 0.0118 0.0124 0.0124 1.1203 1.1203 1.1232 1.1232 1.9401 1.9401 1.9410 1.9410 2.3412 2.3412 2.3446 2.3446 3.0015 3.0015 3.0029 3.0029 3.5306 3.5306 3.5315 3.5315 3.9074 3.9074 3.9078 3.9078 4.1422 4.1422 4.1454 4.1454 4.6622 4.6622 4.6645 4.6645 5.6837 5.6837 5.6872 5.6872 6.1322 6.1322 6.1373 6.1373 15.4489 15.4489 15.4504 15.4504 17.3526 17.3526 17.3529 17.3529 17.9379 17.9379 17.9400 17.9400 k = 0.3036-0.0000 0.1509 ( 4214 PWs) bands (ev): -13.2528 -13.2528 -13.2527 -13.2527 -12.4742 -12.4742 -12.4741 -12.4741 -10.3348 -10.3348 -10.3347 -10.3347 -9.7614 -9.7614 -9.7599 -9.7599 -1.7183 -1.7183 -1.7183 -1.7183 -0.0287 -0.0287 -0.0280 -0.0280 1.1245 1.1245 1.1274 1.1274 1.9182 1.9182 1.9195 1.9195 2.3004 2.3004 2.3042 2.3042 2.9670 2.9670 2.9680 2.9680 3.4784 3.4784 3.4794 3.4794 3.9052 3.9052 3.9078 3.9078 4.1259 4.1259 4.1315 4.1315 4.6648 4.6648 4.6670 4.6670 5.6699 5.6699 5.6731 5.6731 6.1118 6.1118 6.1170 6.1170 15.5275 15.5275 15.5290 15.5290 17.3337 17.3337 17.3341 17.3341 17.9336 17.9336 17.9358 17.9358 k = 0.3125-0.0000 0.1509 ( 4222 PWs) bands (ev): -13.2238 -13.2238 -13.2237 -13.2237 -12.4736 -12.4736 -12.4735 -12.4735 -10.3140 -10.3140 -10.3138 -10.3138 -9.7604 -9.7604 -9.7589 -9.7589 -1.6890 -1.6890 -1.6890 -1.6890 -0.0707 -0.0707 -0.0700 -0.0700 1.1279 1.1279 1.1309 1.1309 1.8925 1.8925 1.8940 1.8940 2.2673 2.2673 2.2715 2.2715 2.9321 2.9321 2.9329 2.9329 3.4281 3.4281 3.4291 3.4291 3.8947 3.8947 3.8992 3.8992 4.1205 4.1205 4.1281 4.1281 4.6687 4.6687 4.6710 4.6710 5.6556 5.6556 5.6586 5.6586 6.0906 6.0906 6.0958 6.0958 15.6055 15.6055 15.6072 15.6072 17.3140 17.3140 17.3145 17.3145 17.9218 17.9218 17.9241 17.9241 k = 0.3214-0.0000 0.1509 ( 4222 PWs) bands (ev): -13.1948 -13.1948 -13.1946 -13.1946 -12.4736 -12.4736 -12.4736 -12.4736 -10.2929 -10.2929 -10.2928 -10.2928 -9.7600 -9.7600 -9.7584 -9.7584 -1.6594 -1.6594 -1.6593 -1.6593 -0.1139 -0.1139 -0.1132 -0.1132 1.1306 1.1306 1.1337 1.1337 1.8624 1.8624 1.8639 1.8639 2.2427 2.2427 2.2470 2.2470 2.8971 2.8971 2.8977 2.8977 3.3801 3.3801 3.3812 3.3812 3.8767 3.8767 3.8825 3.8825 4.1253 4.1253 4.1344 4.1344 4.6737 4.6737 4.6761 4.6761 5.6409 5.6409 5.6437 5.6437 6.0687 6.0687 6.0739 6.0739 15.6830 15.6830 15.6848 15.6848 17.2943 17.2943 17.2948 17.2948 17.9022 17.9022 17.9044 17.9044 k = 0.3304-0.0000 0.1509 ( 4212 PWs) bands (ev): -13.1656 -13.1656 -13.1654 -13.1654 -12.4745 -12.4745 -12.4744 -12.4744 -10.2718 -10.2718 -10.2717 -10.2717 -9.7601 -9.7601 -9.7586 -9.7586 -1.6294 -1.6294 -1.6293 -1.6293 -0.1581 -0.1581 -0.1574 -0.1574 1.1327 1.1327 1.1357 1.1357 1.8280 1.8280 1.8295 1.8295 2.2262 2.2262 2.2305 2.2305 2.8620 2.8620 2.8624 2.8624 3.3348 3.3348 3.3360 3.3360 3.8532 3.8532 3.8596 3.8596 4.1381 4.1381 4.1479 4.1479 4.6797 4.6797 4.6822 4.6822 5.6259 5.6259 5.6284 5.6284 6.0461 6.0461 6.0513 6.0513 15.7599 15.7599 15.7618 15.7618 17.2749 17.2749 17.2756 17.2756 17.8749 17.8749 17.8771 17.8771 k = 0.3393-0.0000 0.1509 ( 4208 PWs) bands (ev): -13.1363 -13.1363 -13.1362 -13.1362 -12.4761 -12.4761 -12.4761 -12.4761 -10.2506 -10.2506 -10.2505 -10.2505 -9.7610 -9.7610 -9.7594 -9.7594 -1.5990 -1.5990 -1.5990 -1.5990 -0.2031 -0.2031 -0.2023 -0.2023 1.1340 1.1340 1.1370 1.1370 1.7902 1.7902 1.7915 1.7915 2.2170 2.2170 2.2212 2.2212 2.8269 2.8269 2.8272 2.8272 3.2925 3.2925 3.2938 3.2938 3.8262 3.8262 3.8327 3.8327 4.1564 4.1564 4.1664 4.1664 4.6866 4.6866 4.6892 4.6892 5.6109 5.6109 5.6131 5.6131 6.0227 6.0227 6.0281 6.0281 15.8361 15.8361 15.8381 15.8381 17.2564 17.2564 17.2571 17.2571 17.8410 17.8410 17.8433 17.8433 k = 0.3482-0.0000 0.1509 ( 4208 PWs) bands (ev): -13.1072 -13.1072 -13.1070 -13.1070 -12.4786 -12.4786 -12.4785 -12.4785 -10.2294 -10.2294 -10.2293 -10.2293 -9.7624 -9.7624 -9.7609 -9.7609 -1.5683 -1.5683 -1.5683 -1.5683 -0.2486 -0.2486 -0.2479 -0.2479 1.1349 1.1349 1.1378 1.1378 1.7500 1.7500 1.7510 1.7510 2.2139 2.2139 2.2178 2.2178 2.7919 2.7919 2.7922 2.7922 3.2537 3.2537 3.2550 3.2550 3.7969 3.7969 3.8035 3.8035 4.1783 4.1783 4.1885 4.1885 4.6940 4.6940 4.6968 4.6968 5.5959 5.5959 5.5978 5.5978 5.9988 5.9988 6.0042 6.0042 15.9116 15.9116 15.9137 15.9137 17.2392 17.2392 17.2399 17.2399 17.8027 17.8027 17.8049 17.8049 k = 0.3571-0.0000 0.1509 ( 4220 PWs) bands (ev): -13.0781 -13.0781 -13.0779 -13.0779 -12.4819 -12.4819 -12.4819 -12.4819 -10.2081 -10.2081 -10.2081 -10.2081 -9.7646 -9.7646 -9.7632 -9.7632 -1.5374 -1.5374 -1.5373 -1.5373 -0.2946 -0.2946 -0.2938 -0.2938 1.1352 1.1352 1.1381 1.1381 1.7084 1.7084 1.7091 1.7091 2.2153 2.2153 2.2190 2.2190 2.7574 2.7574 2.7576 2.7576 3.2184 3.2184 3.2199 3.2199 3.7664 3.7664 3.7728 3.7728 4.2028 4.2028 4.2129 4.2129 4.7018 4.7018 4.7049 4.7049 5.5812 5.5812 5.5827 5.5827 5.9743 5.9743 5.9797 5.9797 15.9862 15.9862 15.9884 15.9884 17.2235 17.2235 17.2241 17.2241 17.7614 17.7614 17.7638 17.7638 k = 0.3661-0.0000 0.1509 ( 4228 PWs) bands (ev): -13.0491 -13.0491 -13.0490 -13.0490 -12.4862 -12.4862 -12.4862 -12.4862 -10.1870 -10.1870 -10.1870 -10.1870 -9.7676 -9.7676 -9.7661 -9.7661 -1.5060 -1.5060 -1.5060 -1.5060 -0.3407 -0.3407 -0.3400 -0.3400 1.1353 1.1353 1.1381 1.1381 1.6665 1.6665 1.6669 1.6669 2.2203 2.2203 2.2237 2.2237 2.7233 2.7233 2.7235 2.7235 3.1872 3.1872 3.1887 3.1887 3.7349 3.7349 3.7411 3.7411 4.2290 4.2290 4.2391 4.2391 4.7098 4.7098 4.7131 4.7131 5.5669 5.5669 5.5681 5.5681 5.9492 5.9492 5.9546 5.9546 16.0600 16.0600 16.0622 16.0622 17.2096 17.2096 17.2102 17.2102 17.7187 17.7187 17.7211 17.7211 k = 0.3750-0.0000 0.1509 ( 4230 PWs) bands (ev): -13.0204 -13.0204 -13.0202 -13.0202 -12.4913 -12.4913 -12.4913 -12.4913 -10.1660 -10.1660 -10.1659 -10.1659 -9.7712 -9.7712 -9.7698 -9.7698 -1.4744 -1.4744 -1.4743 -1.4743 -0.3869 -0.3869 -0.3862 -0.3862 1.1351 1.1351 1.1379 1.1379 1.6249 1.6249 1.6250 1.6250 2.2276 2.2276 2.2308 2.2308 2.6901 2.6901 2.6903 2.6903 3.1602 3.1602 3.1617 3.1617 3.7027 3.7027 3.7087 3.7087 4.2565 4.2565 4.2665 4.2665 4.7176 4.7176 4.7212 4.7212 5.5534 5.5534 5.5542 5.5542 5.9237 5.9237 5.9291 5.9291 16.1327 16.1327 16.1351 16.1351 17.1977 17.1977 17.1983 17.1983 17.6754 17.6754 17.6779 17.6779 k = 0.3839-0.0000 0.1509 ( 4230 PWs) bands (ev): -12.9919 -12.9919 -12.9917 -12.9917 -12.4975 -12.4975 -12.4975 -12.4975 -10.1451 -10.1451 -10.1450 -10.1450 -9.7757 -9.7757 -9.7743 -9.7743 -1.4424 -1.4424 -1.4423 -1.4423 -0.4330 -0.4330 -0.4323 -0.4323 1.1350 1.1350 1.1377 1.1377 1.5839 1.5839 1.5841 1.5841 2.2366 2.2366 2.2395 2.2395 2.6577 2.6577 2.6580 2.6580 3.1377 3.1377 3.1393 3.1393 3.6700 3.6700 3.6759 3.6759 4.2849 4.2849 4.2948 4.2948 4.7249 4.7249 4.7289 4.7289 5.5410 5.5410 5.5412 5.5412 5.8977 5.8977 5.9032 5.9032 16.2045 16.2045 16.2069 16.2069 17.1880 17.1880 17.1886 17.1886 17.6321 17.6321 17.6346 17.6346 k = 0.3929-0.0000 0.1509 ( 4230 PWs) bands (ev): -12.9637 -12.9637 -12.9636 -12.9636 -12.5046 -12.5046 -12.5046 -12.5046 -10.1244 -10.1244 -10.1243 -10.1243 -9.7809 -9.7809 -9.7795 -9.7795 -1.4101 -1.4101 -1.4100 -1.4100 -0.4789 -0.4789 -0.4783 -0.4783 1.1351 1.1351 1.1377 1.1377 1.5441 1.5441 1.5445 1.5445 2.2465 2.2465 2.2492 2.2492 2.6265 2.6265 2.6268 2.6268 3.1198 3.1198 3.1214 3.1214 3.6370 3.6370 3.6426 3.6426 4.3140 4.3140 4.3239 4.3239 4.7314 4.7314 4.7358 4.7358 5.5296 5.5296 5.5298 5.5298 5.8714 5.8714 5.8769 5.8769 16.2750 16.2750 16.2776 16.2776 17.1805 17.1805 17.1810 17.1810 17.5893 17.5893 17.5919 17.5919 k = 0.4018-0.0000 0.1509 ( 4230 PWs) bands (ev): -12.9359 -12.9359 -12.9358 -12.9358 -12.5127 -12.5127 -12.5127 -12.5127 -10.1039 -10.1039 -10.1037 -10.1037 -9.7869 -9.7869 -9.7856 -9.7856 -1.3774 -1.3774 -1.3774 -1.3774 -0.5245 -0.5245 -0.5239 -0.5239 1.1355 1.1355 1.1381 1.1381 1.5059 1.5059 1.5064 1.5064 2.2569 2.2569 2.2594 2.2594 2.5964 2.5964 2.5968 2.5968 3.1067 3.1067 3.1085 3.1085 3.6035 3.6035 3.6090 3.6090 4.3436 4.3436 4.3533 4.3533 4.7368 4.7368 4.7415 4.7415 5.5196 5.5196 5.5203 5.5203 5.8449 5.8449 5.8504 5.8504 16.3444 16.3444 16.3470 16.3470 17.1751 17.1751 17.1755 17.1755 17.5475 17.5475 17.5501 17.5501 k = 0.4107-0.0000 0.1509 ( 4236 PWs) bands (ev): -12.9085 -12.9085 -12.9084 -12.9084 -12.5219 -12.5219 -12.5219 -12.5219 -10.0837 -10.0837 -10.0835 -10.0835 -9.7937 -9.7937 -9.7925 -9.7925 -1.3444 -1.3444 -1.3443 -1.3443 -0.5697 -0.5697 -0.5691 -0.5691 1.1365 1.1365 1.1390 1.1390 1.4693 1.4693 1.4701 1.4701 2.2673 2.2673 2.2696 2.2696 2.5678 2.5678 2.5682 2.5682 3.0984 3.0984 3.1003 3.1003 3.5698 3.5698 3.5751 3.5751 4.3734 4.3734 4.3830 4.3830 4.7406 4.7406 4.7458 4.7458 5.5114 5.5114 5.5126 5.5126 5.8182 5.8182 5.8237 5.8237 16.4123 16.4123 16.4149 16.4149 17.1715 17.1715 17.1718 17.1718 17.5073 17.5073 17.5100 17.5100 k = 0.4196-0.0000 0.1509 ( 4236 PWs) bands (ev): -12.8817 -12.8817 -12.8815 -12.8815 -12.5321 -12.5321 -12.5320 -12.5320 -10.0639 -10.0639 -10.0636 -10.0636 -9.8014 -9.8014 -9.8001 -9.8001 -1.3109 -1.3109 -1.3109 -1.3109 -0.6144 -0.6144 -0.6138 -0.6138 1.1382 1.1382 1.1406 1.1406 1.4346 1.4346 1.4355 1.4355 2.2776 2.2776 2.2797 2.2797 2.5406 2.5406 2.5411 2.5411 3.0950 3.0950 3.0971 3.0971 3.5359 3.5359 3.5410 3.5410 4.4033 4.4033 4.4129 4.4129 4.7425 4.7425 4.7482 4.7482 5.5055 5.5055 5.5072 5.5072 5.7915 5.7915 5.7970 5.7970 16.4786 16.4786 16.4813 16.4813 17.1692 17.1692 17.1694 17.1694 17.4696 17.4696 17.4723 17.4723 k = 0.4286-0.0000 0.1509 ( 4232 PWs) bands (ev): -12.8553 -12.8553 -12.8552 -12.8552 -12.5433 -12.5433 -12.5432 -12.5432 -10.0443 -10.0443 -10.0440 -10.0440 -9.8098 -9.8098 -9.8086 -9.8086 -1.2771 -1.2771 -1.2771 -1.2771 -0.6585 -0.6585 -0.6580 -0.6580 1.1408 1.1408 1.1432 1.1432 1.4018 1.4018 1.4029 1.4029 2.2875 2.2875 2.2895 2.2895 2.5149 2.5149 2.5155 2.5155 3.0963 3.0963 3.0985 3.0985 3.5019 3.5019 3.5068 3.5068 4.4331 4.4331 4.4426 4.4426 4.7422 4.7422 4.7483 4.7483 5.5020 5.5020 5.5043 5.5043 5.7648 5.7648 5.7703 5.7703 16.5432 16.5432 16.5459 16.5459 17.1672 17.1672 17.1673 17.1673 17.4357 17.4357 17.4382 17.4382 k = 0.4375-0.0000 0.1509 ( 4232 PWs) bands (ev): -12.8296 -12.8296 -12.8295 -12.8295 -12.5555 -12.5555 -12.5555 -12.5555 -10.0252 -10.0252 -10.0248 -10.0248 -9.8191 -9.8191 -9.8179 -9.8179 -1.2428 -1.2428 -1.2428 -1.2428 -0.7021 -0.7021 -0.7016 -0.7016 1.1446 1.1446 1.1468 1.1468 1.3710 1.3710 1.3722 1.3722 2.2971 2.2971 2.2989 2.2989 2.4909 2.4909 2.4915 2.4915 3.1022 3.1022 3.1045 3.1045 3.4679 3.4679 3.4726 3.4726 4.4626 4.4626 4.4721 4.4721 4.7395 4.7395 4.7461 4.7461 5.5013 5.5013 5.5041 5.5041 5.7384 5.7384 5.7439 5.7439 16.6059 16.6059 16.6086 16.6086 17.1635 17.1635 17.1637 17.1637 17.4074 17.4074 17.4099 17.4099 k = 0.4464-0.0000 0.1509 ( 4226 PWs) bands (ev): -12.8045 -12.8045 -12.8044 -12.8044 -12.5688 -12.5688 -12.5688 -12.5688 -10.0065 -10.0065 -10.0060 -10.0060 -9.8291 -9.8291 -9.8280 -9.8280 -1.2081 -1.2081 -1.2081 -1.2081 -0.7450 -0.7450 -0.7445 -0.7445 1.1495 1.1495 1.1517 1.1517 1.3422 1.3422 1.3435 1.3435 2.3065 2.3065 2.3081 2.3081 2.4685 2.4685 2.4692 2.4692 3.1123 3.1123 3.1148 3.1148 3.4339 3.4339 3.4384 3.4384 4.4918 4.4918 4.5011 4.5011 4.7341 4.7341 4.7412 4.7412 5.5034 5.5034 5.5066 5.5066 5.7123 5.7123 5.7178 5.7178 16.6664 16.6664 16.6691 16.6691 17.1557 17.1557 17.1562 17.1562 17.3873 17.3873 17.3896 17.3896 k = 0.4554-0.0000 0.1509 ( 4238 PWs) bands (ev): -12.7801 -12.7801 -12.7800 -12.7800 -12.5832 -12.5832 -12.5831 -12.5831 -9.9883 -9.9883 -9.9878 -9.9878 -9.8400 -9.8400 -9.8389 -9.8389 -1.1729 -1.1729 -1.1728 -1.1728 -0.7873 -0.7873 -0.7868 -0.7868 1.1558 1.1558 1.1580 1.1580 1.3154 1.3154 1.3169 1.3169 2.3157 2.3157 2.3172 2.3172 2.4478 2.4478 2.4486 2.4486 3.1264 3.1264 3.1290 3.1290 3.4002 3.4002 3.4046 3.4046 4.5203 4.5203 4.5296 4.5296 4.7260 4.7260 4.7335 4.7335 5.5084 5.5084 5.5121 5.5121 5.6868 5.6868 5.6922 5.6922 16.7245 16.7245 16.7272 16.7272 17.1413 17.1413 17.1422 17.1422 17.3779 17.3779 17.3801 17.3801 k = 0.4643-0.0000 0.1509 ( 4242 PWs) bands (ev): -12.7565 -12.7565 -12.7564 -12.7564 -12.5986 -12.5986 -12.5985 -12.5985 -9.9706 -9.9706 -9.9700 -9.9700 -9.8516 -9.8516 -9.8506 -9.8506 -1.1371 -1.1371 -1.1370 -1.1370 -0.8288 -0.8288 -0.8285 -0.8285 1.1636 1.1636 1.1657 1.1657 1.2907 1.2907 1.2923 1.2923 2.3250 2.3250 2.3264 2.3264 2.4288 2.4288 2.4296 2.4296 3.1440 3.1440 3.1468 3.1468 3.3669 3.3669 3.3711 3.3711 4.5480 4.5480 4.5572 4.5572 4.7152 4.7152 4.7230 4.7230 5.5163 5.5163 5.5204 5.5204 5.6619 5.6619 5.6673 5.6673 16.7802 16.7802 16.7827 16.7827 17.1192 17.1192 17.1205 17.1205 17.3801 17.3801 17.3821 17.3821 k = 0.4732-0.0000 0.1509 ( 4240 PWs) bands (ev): -12.7336 -12.7336 -12.7335 -12.7335 -12.6150 -12.6150 -12.6149 -12.6149 -9.9534 -9.9534 -9.9528 -9.9528 -9.8640 -9.8640 -9.8631 -9.8631 -1.1008 -1.1008 -1.1007 -1.1007 -0.8697 -0.8697 -0.8694 -0.8694 1.1731 1.1731 1.1751 1.1751 1.2680 1.2680 1.2697 1.2697 2.3347 2.3347 2.3359 2.3359 2.4113 2.4113 2.4122 2.4122 3.1647 3.1647 3.1677 3.1677 3.3342 3.3342 3.3382 3.3382 4.5747 4.5747 4.5839 4.5839 4.7017 4.7017 4.7098 4.7098 5.5271 5.5271 5.5314 5.5314 5.6380 5.6380 5.6434 5.6434 16.8332 16.8332 16.8356 16.8356 17.0903 17.0903 17.0918 17.0918 17.3927 17.3927 17.3946 17.3946 k = 0.4821-0.0000 0.1509 ( 4238 PWs) bands (ev): -12.7115 -12.7115 -12.7114 -12.7114 -12.6324 -12.6324 -12.6323 -12.6323 -9.9369 -9.9369 -9.9362 -9.9362 -9.8772 -9.8772 -9.8763 -9.8763 -1.0639 -1.0639 -1.0637 -1.0637 -0.9099 -0.9099 -0.9096 -0.9096 1.1842 1.1842 1.1862 1.1862 1.2473 1.2473 1.2491 1.2491 2.3448 2.3448 2.3460 2.3460 2.3954 2.3954 2.3963 2.3963 3.1882 3.1882 3.1914 3.1914 3.3023 3.3023 3.3061 3.3061 4.6003 4.6003 4.6093 4.6093 4.6857 4.6857 4.6941 4.6941 5.5404 5.5404 5.5450 5.5450 5.6152 5.6152 5.6205 5.6205 16.8834 16.8834 16.8858 16.8858 17.0559 17.0559 17.0577 17.0577 17.4137 17.4137 17.4156 17.4156 k = 0.4911-0.0000 0.1509 ( 4234 PWs) bands (ev): -12.6904 -12.6904 -12.6903 -12.6903 -12.6507 -12.6507 -12.6507 -12.6507 -9.9209 -9.9209 -9.9202 -9.9202 -9.8911 -9.8911 -9.8902 -9.8902 -1.0264 -1.0264 -1.0262 -1.0262 -0.9494 -0.9494 -0.9492 -0.9492 1.1971 1.1971 1.1991 1.1991 1.2287 1.2287 1.2305 1.2305 2.3558 2.3558 2.3569 2.3569 2.3809 2.3809 2.3819 2.3819 3.2141 3.2141 3.2174 3.2174 3.2715 3.2715 3.2751 3.2751 4.6244 4.6244 4.6333 4.6333 4.6673 4.6673 4.6759 4.6759 5.5561 5.5561 5.5610 5.5610 5.5938 5.5938 5.5990 5.5990 16.9310 16.9310 16.9332 16.9332 17.0175 17.0175 17.0194 17.0194 17.4410 17.4410 17.4429 17.4429 k = 0.5000-0.0000 0.1509 ( 4224 PWs) bands (ev): -12.6701 -12.6701 -12.6701 -12.6701 -12.6700 -12.6700 -12.6700 -12.6700 -9.9057 -9.9057 -9.9057 -9.9057 -9.9049 -9.9049 -9.9049 -9.9049 -0.9882 -0.9882 -0.9882 -0.9882 -0.9880 -0.9880 -0.9880 -0.9880 1.2120 1.2120 1.2120 1.2120 1.2138 1.2138 1.2138 1.2138 2.3678 2.3678 2.3678 2.3678 2.3688 2.3688 2.3688 2.3688 3.2420 3.2420 3.2420 3.2420 3.2455 3.2455 3.2455 3.2455 4.6468 4.6468 4.6468 4.6468 4.6556 4.6556 4.6556 4.6556 5.5740 5.5740 5.5740 5.5740 5.5790 5.5790 5.5790 5.5790 16.9757 16.9757 16.9757 16.9757 16.9778 16.9778 16.9778 16.9778 17.4729 17.4731 17.4736 17.4742 k = 0.5000-0.0000 0.1509 ( 4224 PWs) bands (ev): -12.6701 -12.6701 -12.6701 -12.6701 -12.6700 -12.6700 -12.6700 -12.6700 -9.9057 -9.9057 -9.9057 -9.9057 -9.9049 -9.9049 -9.9049 -9.9049 -0.9882 -0.9882 -0.9882 -0.9882 -0.9880 -0.9880 -0.9880 -0.9880 1.2120 1.2120 1.2120 1.2120 1.2138 1.2138 1.2138 1.2138 2.3678 2.3678 2.3678 2.3678 2.3688 2.3688 2.3688 2.3688 3.2420 3.2420 3.2420 3.2420 3.2455 3.2455 3.2455 3.2455 4.6468 4.6468 4.6468 4.6468 4.6556 4.6556 4.6556 4.6556 5.5740 5.5740 5.5740 5.5740 5.5790 5.5790 5.5790 5.5790 16.9757 16.9757 16.9757 16.9757 16.9778 16.9778 16.9778 16.9778 17.4730 17.4733 17.4736 17.4742 k = 0.5000 0.0088 0.1509 ( 4232 PWs) bands (ev): -12.6699 -12.6699 -12.6699 -12.6699 -12.6698 -12.6698 -12.6698 -12.6698 -9.9060 -9.9060 -9.9059 -9.9059 -9.9052 -9.9052 -9.9052 -9.9052 -0.9885 -0.9885 -0.9884 -0.9884 -0.9883 -0.9883 -0.9882 -0.9882 1.2126 1.2126 1.2131 1.2131 1.2146 1.2146 1.2148 1.2148 2.3651 2.3651 2.3655 2.3655 2.3662 2.3662 2.3664 2.3664 3.2436 3.2436 3.2442 3.2442 3.2471 3.2471 3.2478 3.2478 4.6462 4.6462 4.6470 4.6470 4.6551 4.6551 4.6556 4.6556 5.5746 5.5746 5.5748 5.5748 5.5793 5.5793 5.5802 5.5802 16.9689 16.9689 16.9692 16.9692 16.9711 16.9711 16.9712 16.9712 17.4764 17.4768 17.4772 17.4776 k = 0.5000 0.0176 0.1509 ( 4224 PWs) bands (ev): -12.6693 -12.6693 -12.6693 -12.6693 -12.6692 -12.6692 -12.6692 -12.6692 -9.9069 -9.9069 -9.9068 -9.9068 -9.9061 -9.9061 -9.9060 -9.9060 -0.9892 -0.9892 -0.9890 -0.9890 -0.9890 -0.9890 -0.9888 -0.9888 1.2151 1.2151 1.2160 1.2160 1.2172 1.2172 1.2177 1.2177 2.3574 2.3574 2.3583 2.3583 2.3586 2.3586 2.3591 2.3591 3.2491 3.2491 3.2502 3.2502 3.2525 3.2525 3.2539 3.2539 4.6453 4.6453 4.6469 4.6469 4.6543 4.6543 4.6554 4.6554 5.5765 5.5765 5.5770 5.5770 5.5808 5.5808 5.5826 5.5826 16.9498 16.9498 16.9505 16.9505 16.9523 16.9523 16.9523 16.9523 17.4863 17.4865 17.4874 17.4879 k = 0.5000 0.0263 0.1509 ( 4228 PWs) bands (ev): -12.6684 -12.6684 -12.6684 -12.6684 -12.6683 -12.6683 -12.6683 -12.6683 -9.9084 -9.9084 -9.9083 -9.9083 -9.9077 -9.9077 -9.9075 -9.9075 -0.9903 -0.9903 -0.9901 -0.9901 -0.9901 -0.9901 -0.9899 -0.9899 1.2193 1.2193 1.2206 1.2206 1.2215 1.2215 1.2222 1.2222 2.3452 2.3452 2.3464 2.3464 2.3464 2.3464 2.3471 2.3471 3.2582 3.2582 3.2597 3.2597 3.2615 3.2615 3.2635 3.2635 4.6439 4.6439 4.6464 4.6464 4.6531 4.6531 4.6546 4.6546 5.5797 5.5797 5.5805 5.5805 5.5837 5.5837 5.5864 5.5864 16.9211 16.9211 16.9219 16.9219 16.9237 16.9237 16.9237 16.9237 17.5008 17.5014 17.5023 17.5026 k = 0.5000 0.0351 0.1509 ( 4228 PWs) bands (ev): -12.6671 -12.6671 -12.6671 -12.6671 -12.6670 -12.6670 -12.6670 -12.6670 -9.9105 -9.9105 -9.9103 -9.9103 -9.9098 -9.9098 -9.9095 -9.9095 -0.9919 -0.9919 -0.9916 -0.9916 -0.9915 -0.9915 -0.9914 -0.9914 1.2250 1.2250 1.2268 1.2268 1.2274 1.2274 1.2284 1.2284 2.3290 2.3290 2.3301 2.3301 2.3305 2.3305 2.3310 2.3310 3.2705 3.2705 3.2724 3.2724 3.2738 3.2738 3.2763 3.2763 4.6422 4.6422 4.6455 4.6455 4.6515 4.6515 4.6535 4.6535 5.5843 5.5843 5.5853 5.5853 5.5879 5.5879 5.5914 5.5914 16.8857 16.8857 16.8867 16.8867 16.8884 16.8884 16.8885 16.8885 17.5168 17.5170 17.5185 17.5188 k = 0.5000 0.0439 0.1509 ( 4236 PWs) bands (ev): -12.6654 -12.6654 -12.6654 -12.6654 -12.6653 -12.6653 -12.6653 -12.6653 -9.9132 -9.9132 -9.9129 -9.9129 -9.9124 -9.9124 -9.9122 -9.9122 -0.9938 -0.9938 -0.9935 -0.9935 -0.9933 -0.9933 -0.9932 -0.9932 1.2321 1.2321 1.2343 1.2343 1.2347 1.2347 1.2359 1.2359 2.3093 2.3093 2.3104 2.3104 2.3111 2.3111 2.3113 2.3113 3.2855 3.2855 3.2878 3.2878 3.2888 3.2888 3.2918 3.2918 4.6401 4.6401 4.6442 4.6442 4.6495 4.6495 4.6520 4.6520 5.5901 5.5901 5.5914 5.5914 5.5933 5.5933 5.5977 5.5977 16.8463 16.8463 16.8473 16.8473 16.8490 16.8490 16.8491 16.8491 17.5332 17.5343 17.5347 17.5353 k = 0.5000 0.0527 0.1509 ( 4232 PWs) bands (ev): -12.6634 -12.6634 -12.6634 -12.6634 -12.6633 -12.6633 -12.6633 -12.6633 -9.9164 -9.9164 -9.9161 -9.9161 -9.9157 -9.9157 -9.9153 -9.9153 -0.9959 -0.9959 -0.9957 -0.9957 -0.9954 -0.9954 -0.9954 -0.9954 1.2403 1.2403 1.2429 1.2429 1.2430 1.2430 1.2445 1.2445 2.2869 2.2869 2.2879 2.2879 2.2889 2.2889 2.2889 2.2889 3.3028 3.3028 3.3054 3.3054 3.3061 3.3061 3.3096 3.3096 4.6377 4.6377 4.6425 4.6425 4.6471 4.6471 4.6500 4.6500 5.5971 5.5971 5.5985 5.5985 5.5999 5.5999 5.6051 5.6051 16.8049 16.8049 16.8058 16.8058 16.8076 16.8076 16.8077 16.8077 17.5488 17.5501 17.5504 17.5509 k = 0.5000 0.0614 0.1509 ( 4228 PWs) bands (ev): -12.6610 -12.6610 -12.6610 -12.6610 -12.6610 -12.6610 -12.6609 -12.6609 -9.9202 -9.9202 -9.9198 -9.9198 -9.9194 -9.9194 -9.9190 -9.9190 -0.9983 -0.9983 -0.9981 -0.9981 -0.9978 -0.9978 -0.9977 -0.9977 1.2492 1.2492 1.2522 1.2522 1.2523 1.2523 1.2538 1.2538 2.2625 2.2625 2.2636 2.2636 2.2646 2.2646 2.2649 2.2649 3.3219 3.3219 3.3248 3.3248 3.3252 3.3252 3.3291 3.3291 4.6349 4.6349 4.6404 4.6404 4.6443 4.6443 4.6476 4.6476 5.6052 5.6052 5.6068 5.6068 5.6076 5.6076 5.6135 5.6135 16.7629 16.7629 16.7638 16.7638 16.7656 16.7656 16.7658 16.7658 17.5639 17.5643 17.5651 17.5656 k = 0.5000 0.0702 0.1509 ( 4220 PWs) bands (ev): -12.6584 -12.6584 -12.6583 -12.6583 -12.6583 -12.6583 -12.6582 -12.6582 -9.9244 -9.9244 -9.9240 -9.9240 -9.9237 -9.9237 -9.9232 -9.9232 -1.0009 -1.0009 -1.0007 -1.0007 -1.0003 -1.0003 -1.0003 -1.0003 1.2585 1.2585 1.2617 1.2617 1.2620 1.2620 1.2636 1.2636 2.2371 2.2371 2.2381 2.2381 2.2390 2.2390 2.2396 2.2396 3.3423 3.3423 3.3454 3.3454 3.3456 3.3456 3.3498 3.3498 4.6317 4.6317 4.6379 4.6379 4.6413 4.6413 4.6448 4.6448 5.6143 5.6143 5.6160 5.6160 5.6163 5.6163 5.6228 5.6228 16.7216 16.7216 16.7224 16.7224 16.7242 16.7242 16.7245 16.7245 17.5778 17.5781 17.5788 17.5795 k = 0.5000 0.0790 0.1509 ( 4224 PWs) bands (ev): -12.6554 -12.6554 -12.6553 -12.6553 -12.6553 -12.6553 -12.6553 -12.6553 -9.9291 -9.9291 -9.9287 -9.9287 -9.9284 -9.9284 -9.9279 -9.9279 -1.0036 -1.0036 -1.0034 -1.0034 -1.0029 -1.0029 -1.0029 -1.0029 1.2677 1.2677 1.2710 1.2710 1.2716 1.2716 1.2732 1.2732 2.2115 2.2115 2.2124 2.2124 2.2132 2.2132 2.2141 2.2141 3.3636 3.3636 3.3669 3.3669 3.3669 3.3669 3.3714 3.3714 4.6283 4.6283 4.6351 4.6351 4.6379 4.6379 4.6416 4.6416 5.6242 5.6242 5.6257 5.6257 5.6260 5.6260 5.6330 5.6330 16.6817 16.6817 16.6824 16.6824 16.6842 16.6842 16.6846 16.6846 17.5908 17.5910 17.5917 17.5921 k = 0.5000 0.0878 0.1509 ( 4220 PWs) bands (ev): -12.6521 -12.6521 -12.6521 -12.6521 -12.6520 -12.6520 -12.6520 -12.6520 -9.9343 -9.9343 -9.9338 -9.9338 -9.9336 -9.9336 -9.9331 -9.9331 -1.0062 -1.0062 -1.0061 -1.0061 -1.0056 -1.0056 -1.0055 -1.0055 1.2762 1.2762 1.2798 1.2798 1.2805 1.2805 1.2822 1.2822 2.1864 2.1864 2.1872 2.1872 2.1879 2.1879 2.1892 2.1892 3.3854 3.3854 3.3887 3.3887 3.3888 3.3888 3.3935 3.3935 4.6246 4.6246 4.6320 4.6320 4.6343 4.6343 4.6382 4.6382 5.6348 5.6348 5.6359 5.6359 5.6366 5.6366 5.6438 5.6438 16.6439 16.6439 16.6444 16.6444 16.6463 16.6463 16.6467 16.6467 17.6034 17.6036 17.6042 17.6050 k = 0.5000 0.0966 0.1509 ( 4212 PWs) bands (ev): -12.6485 -12.6485 -12.6485 -12.6485 -12.6485 -12.6485 -12.6484 -12.6484 -9.9399 -9.9399 -9.9394 -9.9394 -9.9393 -9.9393 -9.9386 -9.9386 -1.0089 -1.0089 -1.0087 -1.0087 -1.0082 -1.0082 -1.0080 -1.0080 1.2835 1.2835 1.2873 1.2873 1.2881 1.2881 1.2899 1.2899 2.1628 2.1628 2.1636 2.1636 2.1640 2.1640 2.1657 2.1657 3.4074 3.4074 3.4107 3.4107 3.4108 3.4108 3.4156 3.4156 4.6208 4.6208 4.6287 4.6287 4.6305 4.6305 4.6346 4.6346 5.6460 5.6460 5.6466 5.6466 5.6478 5.6478 5.6550 5.6550 16.6085 16.6085 16.6090 16.6090 16.6109 16.6109 16.6114 16.6114 17.6155 17.6162 17.6164 17.6168 k = 0.5000 0.1053 0.1509 ( 4212 PWs) bands (ev): -12.6448 -12.6448 -12.6447 -12.6447 -12.6447 -12.6447 -12.6446 -12.6446 -9.9459 -9.9459 -9.9453 -9.9453 -9.9452 -9.9452 -9.9446 -9.9446 -1.0114 -1.0114 -1.0112 -1.0112 -1.0107 -1.0107 -1.0105 -1.0105 1.2890 1.2890 1.2928 1.2928 1.2938 1.2938 1.2958 1.2958 2.1416 2.1416 2.1422 2.1422 2.1424 2.1424 2.1445 2.1445 3.4291 3.4291 3.4324 3.4324 3.4326 3.4326 3.4375 3.4375 4.6170 4.6170 4.6254 4.6254 4.6268 4.6268 4.6309 4.6309 5.6575 5.6575 5.6577 5.6577 5.6593 5.6593 5.6666 5.6666 16.5761 16.5761 16.5765 16.5765 16.5784 16.5784 16.5789 16.5789 17.6271 17.6273 17.6275 17.6281 k = 0.5000 0.1141 0.1509 ( 4216 PWs) bands (ev): -12.6408 -12.6408 -12.6407 -12.6407 -12.6407 -12.6407 -12.6406 -12.6406 -9.9522 -9.9522 -9.9516 -9.9516 -9.9516 -9.9516 -9.9509 -9.9509 -1.0137 -1.0137 -1.0136 -1.0136 -1.0130 -1.0130 -1.0128 -1.0128 1.2919 1.2919 1.2959 1.2959 1.2969 1.2969 1.2991 1.2991 2.1235 2.1235 2.1240 2.1240 2.1240 2.1240 2.1264 2.1264 3.4503 3.4503 3.4536 3.4536 3.4538 3.4538 3.4588 3.4588 4.6134 4.6134 4.6223 4.6223 4.6233 4.6233 4.6273 4.6273 5.6690 5.6690 5.6693 5.6693 5.6709 5.6709 5.6784 5.6784 16.5469 16.5469 16.5472 16.5472 16.5490 16.5490 16.5497 16.5497 17.6377 17.6379 17.6385 17.6388 k = 0.5000 0.1229 0.1509 ( 4212 PWs) bands (ev): -12.6365 -12.6365 -12.6365 -12.6365 -12.6365 -12.6365 -12.6364 -12.6364 -9.9588 -9.9588 -9.9582 -9.9582 -9.9581 -9.9581 -9.9574 -9.9574 -1.0157 -1.0157 -1.0156 -1.0156 -1.0150 -1.0150 -1.0148 -1.0148 1.2917 1.2917 1.2959 1.2959 1.2969 1.2969 1.2992 1.2992 2.1094 2.1094 2.1095 2.1095 2.1097 2.1097 2.1121 2.1121 3.4707 3.4707 3.4739 3.4739 3.4742 3.4742 3.4792 3.4792 4.6101 4.6101 4.6194 4.6194 4.6200 4.6200 4.6240 4.6240 5.6803 5.6803 5.6810 5.6810 5.6825 5.6825 5.6901 5.6901 16.5211 16.5211 16.5213 16.5213 16.5232 16.5232 16.5239 16.5239 17.6479 17.6481 17.6490 17.6493 k = 0.5000 0.1317 0.1509 ( 4220 PWs) bands (ev): -12.6322 -12.6322 -12.6321 -12.6321 -12.6321 -12.6321 -12.6321 -12.6321 -9.9657 -9.9657 -9.9651 -9.9651 -9.9649 -9.9649 -9.9643 -9.9643 -1.0175 -1.0175 -1.0174 -1.0174 -1.0168 -1.0168 -1.0165 -1.0165 1.2880 1.2880 1.2923 1.2923 1.2933 1.2933 1.2957 1.2957 2.0994 2.0994 2.0997 2.0997 2.0998 2.0998 2.1022 2.1022 3.4899 3.4899 3.4931 3.4931 3.4934 3.4934 3.4985 3.4985 4.6073 4.6073 4.6170 4.6170 4.6173 4.6173 4.6211 4.6211 5.6914 5.6914 5.6925 5.6925 5.6939 5.6939 5.7015 5.7015 16.4990 16.4990 16.4990 16.4990 16.5009 16.5009 16.5017 16.5017 17.6570 17.6572 17.6579 17.6581 k = 0.5000 0.1404 0.1509 ( 4228 PWs) bands (ev): -12.6277 -12.6277 -12.6276 -12.6276 -12.6276 -12.6276 -12.6276 -12.6276 -9.9727 -9.9727 -9.9722 -9.9722 -9.9719 -9.9719 -9.9713 -9.9713 -1.0189 -1.0189 -1.0188 -1.0188 -1.0182 -1.0182 -1.0179 -1.0179 1.2805 1.2805 1.2848 1.2848 1.2858 1.2858 1.2883 1.2883 2.0943 2.0943 2.0948 2.0948 2.0948 2.0948 2.0972 2.0972 3.5077 3.5077 3.5110 3.5110 3.5112 3.5112 3.5163 3.5163 4.6052 4.6052 4.6153 4.6153 4.6153 4.6153 4.6189 4.6189 5.7021 5.7021 5.7036 5.7036 5.7049 5.7049 5.7126 5.7126 16.4805 16.4805 16.4806 16.4806 16.4824 16.4824 16.4833 16.4833 17.6650 17.6652 17.6656 17.6664 k = 0.5000 0.1492 0.1509 ( 4228 PWs) bands (ev): -12.6231 -12.6231 -12.6230 -12.6230 -12.6230 -12.6230 -12.6229 -12.6229 -9.9799 -9.9799 -9.9794 -9.9794 -9.9791 -9.9791 -9.9785 -9.9785 -1.0199 -1.0199 -1.0199 -1.0199 -1.0192 -1.0192 -1.0189 -1.0189 1.2692 1.2692 1.2734 1.2734 1.2744 1.2744 1.2769 1.2769 2.0941 2.0941 2.0947 2.0947 2.0950 2.0950 2.0971 2.0971 3.5239 3.5239 3.5271 3.5271 3.5273 3.5273 3.5325 3.5325 4.6041 4.6041 4.6143 4.6143 4.6146 4.6146 4.6176 4.6176 5.7124 5.7124 5.7143 5.7143 5.7153 5.7153 5.7231 5.7231 16.4660 16.4660 16.4662 16.4662 16.4679 16.4679 16.4688 16.4688 17.6714 17.6716 17.6719 17.6726 k = 0.5000 0.1580 0.1509 ( 4224 PWs) bands (ev): -12.6184 -12.6184 -12.6183 -12.6183 -12.6183 -12.6183 -12.6183 -12.6183 -9.9872 -9.9872 -9.9867 -9.9867 -9.9864 -9.9864 -9.9858 -9.9858 -1.0205 -1.0205 -1.0205 -1.0205 -1.0199 -1.0199 -1.0195 -1.0195 1.2541 1.2541 1.2582 1.2582 1.2591 1.2591 1.2617 1.2617 2.0989 2.0989 2.0996 2.0996 2.1000 2.1000 2.1018 2.1018 3.5382 3.5382 3.5413 3.5413 3.5415 3.5415 3.5467 3.5467 4.6042 4.6042 4.6145 4.6145 4.6149 4.6149 4.6175 4.6175 5.7219 5.7219 5.7242 5.7242 5.7250 5.7250 5.7329 5.7329 16.4554 16.4554 16.4557 16.4557 16.4573 16.4573 16.4582 16.4582 17.6761 17.6762 17.6765 17.6774 k = 0.5000 0.1668 0.1509 ( 4228 PWs) bands (ev): -12.6137 -12.6137 -12.6136 -12.6136 -12.6136 -12.6136 -12.6135 -12.6135 -9.9946 -9.9946 -9.9941 -9.9941 -9.9937 -9.9937 -9.9931 -9.9931 -1.0207 -1.0207 -1.0207 -1.0207 -1.0201 -1.0201 -1.0196 -1.0196 1.2356 1.2356 1.2397 1.2397 1.2405 1.2405 1.2431 1.2431 2.1083 2.1083 2.1090 2.1090 2.1096 2.1096 2.1110 2.1110 3.5505 3.5505 3.5534 3.5534 3.5535 3.5535 3.5587 3.5587 4.6056 4.6056 4.6160 4.6160 4.6166 4.6166 4.6186 4.6186 5.7306 5.7306 5.7333 5.7333 5.7338 5.7338 5.7418 5.7418 16.4489 16.4489 16.4493 16.4493 16.4508 16.4508 16.4518 16.4518 17.6784 17.6786 17.6788 17.6803 k = 0.5000 0.1756 0.1509 ( 4224 PWs) bands (ev): -12.6089 -12.6089 -12.6089 -12.6089 -12.6088 -12.6088 -12.6088 -12.6088 -10.0020 -10.0020 -10.0015 -10.0015 -10.0010 -10.0010 -10.0005 -10.0005 -1.0205 -1.0205 -1.0205 -1.0205 -1.0199 -1.0199 -1.0194 -1.0194 1.2143 1.2143 1.2182 1.2182 1.2190 1.2190 1.2215 1.2215 2.1217 2.1217 2.1224 2.1224 2.1233 2.1233 2.1243 2.1243 3.5604 3.5604 3.5632 3.5632 3.5633 3.5633 3.5685 3.5685 4.6085 4.6085 4.6190 4.6190 4.6198 4.6198 4.6211 4.6211 5.7383 5.7383 5.7415 5.7415 5.7416 5.7416 5.7497 5.7497 16.4465 16.4465 16.4470 16.4470 16.4483 16.4483 16.4494 16.4494 17.6781 17.6783 17.6783 17.6786 k = 0.5000 0.1843 0.1509 ( 4232 PWs) bands (ev): -12.6042 -12.6042 -12.6042 -12.6042 -12.6041 -12.6041 -12.6041 -12.6041 -10.0093 -10.0093 -10.0088 -10.0088 -10.0083 -10.0083 -10.0078 -10.0078 -1.0198 -1.0198 -1.0198 -1.0198 -1.0193 -1.0193 -1.0187 -1.0187 1.1907 1.1907 1.1945 1.1945 1.1951 1.1951 1.1976 1.1976 2.1387 2.1387 2.1394 2.1394 2.1404 2.1404 2.1410 2.1410 3.5680 3.5680 3.5706 3.5706 3.5707 3.5707 3.5758 3.5758 4.6130 4.6130 4.6236 4.6236 4.6246 4.6246 4.6252 4.6252 5.7450 5.7450 5.7484 5.7484 5.7486 5.7486 5.7566 5.7566 16.4481 16.4481 16.4487 16.4487 16.4500 16.4500 16.4511 16.4511 17.6744 17.6749 17.6751 17.6753 k = 0.5000 0.1931 0.1509 ( 4236 PWs) bands (ev): -12.5995 -12.5995 -12.5995 -12.5995 -12.5995 -12.5995 -12.5994 -12.5994 -10.0165 -10.0165 -10.0161 -10.0161 -10.0155 -10.0155 -10.0150 -10.0150 -1.0188 -1.0188 -1.0188 -1.0188 -1.0182 -1.0182 -1.0177 -1.0177 1.1655 1.1655 1.1690 1.1690 1.1697 1.1697 1.1720 1.1720 2.1586 2.1586 2.1592 2.1592 2.1603 2.1603 2.1606 2.1606 3.5731 3.5731 3.5755 3.5755 3.5757 3.5757 3.5807 3.5807 4.6191 4.6191 4.6299 4.6299 4.6309 4.6309 4.6309 4.6309 5.7507 5.7507 5.7540 5.7540 5.7546 5.7546 5.7624 5.7624 16.4538 16.4538 16.4544 16.4544 16.4556 16.4556 16.4568 16.4568 17.6675 17.6678 17.6681 17.6684 k = 0.5000 0.2019 0.1509 ( 4240 PWs) bands (ev): -12.5950 -12.5950 -12.5950 -12.5950 -12.5949 -12.5949 -12.5949 -12.5949 -10.0235 -10.0235 -10.0231 -10.0231 -10.0225 -10.0225 -10.0220 -10.0220 -1.0174 -1.0174 -1.0174 -1.0174 -1.0169 -1.0169 -1.0163 -1.0163 1.1392 1.1392 1.1426 1.1426 1.1431 1.1431 1.1453 1.1453 2.1807 2.1807 2.1812 2.1812 2.1825 2.1825 2.1825 2.1825 3.5758 3.5758 3.5781 3.5781 3.5783 3.5783 3.5831 3.5831 4.6269 4.6269 4.6377 4.6377 4.6381 4.6381 4.6389 4.6389 5.7551 5.7551 5.7585 5.7585 5.7595 5.7595 5.7670 5.7670 16.4635 16.4635 16.4642 16.4642 16.4653 16.4653 16.4665 16.4665 17.6566 17.6568 17.6575 17.6577 k = 0.5000 0.2107 0.1509 ( 4232 PWs) bands (ev): -12.5906 -12.5906 -12.5905 -12.5905 -12.5905 -12.5905 -12.5904 -12.5904 -10.0303 -10.0303 -10.0300 -10.0300 -10.0293 -10.0293 -10.0288 -10.0288 -1.0156 -1.0156 -1.0156 -1.0156 -1.0151 -1.0151 -1.0145 -1.0145 1.1124 1.1124 1.1156 1.1156 1.1161 1.1161 1.1181 1.1181 2.2044 2.2044 2.2049 2.2049 2.2060 2.2060 2.2063 2.2063 3.5762 3.5762 3.5782 3.5782 3.5785 3.5785 3.5832 3.5832 4.6362 4.6362 4.6469 4.6469 4.6471 4.6471 4.6484 4.6484 5.7585 5.7585 5.7618 5.7618 5.7633 5.7633 5.7704 5.7704 16.4771 16.4771 16.4778 16.4778 16.4788 16.4788 16.4801 16.4801 17.6416 17.6417 17.6426 17.6427 k = 0.5000 0.2194 0.1509 ( 4244 PWs) bands (ev): -12.5863 -12.5863 -12.5863 -12.5863 -12.5862 -12.5862 -12.5862 -12.5862 -10.0369 -10.0369 -10.0366 -10.0366 -10.0358 -10.0358 -10.0354 -10.0354 -1.0136 -1.0136 -1.0135 -1.0135 -1.0131 -1.0131 -1.0125 -1.0125 1.0857 1.0857 1.0887 1.0887 1.0891 1.0891 1.0909 1.0909 2.2292 2.2292 2.2296 2.2296 2.2305 2.2305 2.2311 2.2311 3.5745 3.5745 3.5762 3.5762 3.5766 3.5766 3.5811 3.5811 4.6469 4.6469 4.6569 4.6569 4.6578 4.6578 4.6592 4.6592 5.7607 5.7607 5.7640 5.7640 5.7659 5.7659 5.7727 5.7727 16.4944 16.4944 16.4952 16.4952 16.4961 16.4961 16.4974 16.4974 17.6223 17.6224 17.6234 17.6236 k = 0.5000 0.2282 0.1509 ( 4248 PWs) bands (ev): -12.5823 -12.5823 -12.5822 -12.5822 -12.5822 -12.5822 -12.5821 -12.5821 -10.0431 -10.0431 -10.0428 -10.0428 -10.0420 -10.0420 -10.0416 -10.0416 -1.0114 -1.0114 -1.0113 -1.0113 -1.0109 -1.0109 -1.0103 -1.0103 1.0595 1.0595 1.0623 1.0623 1.0627 1.0627 1.0643 1.0643 2.2545 2.2545 2.2549 2.2549 2.2556 2.2556 2.2564 2.2564 3.5708 3.5708 3.5723 3.5723 3.5728 3.5728 3.5771 3.5771 4.6587 4.6587 4.6681 4.6681 4.6697 4.6697 4.6711 4.6711 5.7619 5.7619 5.7651 5.7651 5.7675 5.7675 5.7739 5.7739 16.5152 16.5152 16.5161 16.5161 16.5170 16.5170 16.5182 16.5182 17.5988 17.5990 17.6002 17.6003 k = 0.5000 0.2370 0.1509 ( 4256 PWs) bands (ev): -12.5784 -12.5784 -12.5784 -12.5784 -12.5783 -12.5783 -12.5783 -12.5783 -10.0490 -10.0490 -10.0487 -10.0487 -10.0479 -10.0479 -10.0475 -10.0475 -1.0090 -1.0090 -1.0088 -1.0088 -1.0086 -1.0086 -1.0079 -1.0079 1.0342 1.0342 1.0369 1.0369 1.0372 1.0372 1.0386 1.0386 2.2797 2.2797 2.2801 2.2801 2.2806 2.2806 2.2816 2.2816 3.5654 3.5654 3.5668 3.5668 3.5673 3.5673 3.5714 3.5714 4.6714 4.6714 4.6800 4.6800 4.6824 4.6824 4.6838 4.6838 5.7621 5.7621 5.7651 5.7651 5.7682 5.7682 5.7741 5.7741 16.5394 16.5394 16.5403 16.5403 16.5411 16.5411 16.5424 16.5424 17.5713 17.5714 17.5726 17.5728 k = 0.5000 0.2458 0.1509 ( 4252 PWs) bands (ev): -12.5748 -12.5748 -12.5748 -12.5748 -12.5747 -12.5747 -12.5747 -12.5747 -10.0545 -10.0545 -10.0542 -10.0542 -10.0533 -10.0533 -10.0530 -10.0530 -1.0065 -1.0065 -1.0063 -1.0063 -1.0061 -1.0061 -1.0054 -1.0054 1.0103 1.0103 1.0128 1.0128 1.0131 1.0131 1.0143 1.0143 2.3045 2.3045 2.3048 2.3048 2.3052 2.3052 2.3063 2.3063 3.5588 3.5588 3.5599 3.5599 3.5606 3.5606 3.5644 3.5644 4.6845 4.6845 4.6924 4.6924 4.6956 4.6956 4.6969 4.6969 5.7615 5.7615 5.7644 5.7644 5.7680 5.7680 5.7735 5.7735 16.5666 16.5666 16.5675 16.5675 16.5683 16.5683 16.5695 16.5695 17.5400 17.5400 17.5414 17.5415 k = 0.5000 0.2545 0.1509 ( 4256 PWs) bands (ev): -12.5716 -12.5716 -12.5715 -12.5715 -12.5715 -12.5715 -12.5714 -12.5714 -10.0595 -10.0595 -10.0593 -10.0593 -10.0583 -10.0583 -10.0580 -10.0580 -1.0040 -1.0040 -1.0038 -1.0038 -1.0036 -1.0036 -1.0030 -1.0030 0.9880 0.9880 0.9903 0.9903 0.9906 0.9906 0.9915 0.9915 2.3282 2.3282 2.3286 2.3286 2.3288 2.3288 2.3300 2.3300 3.5512 3.5512 3.5522 3.5522 3.5531 3.5531 3.5565 3.5565 4.6978 4.6978 4.7049 4.7049 4.7088 4.7088 4.7102 4.7102 5.7602 5.7602 5.7629 5.7629 5.7671 5.7671 5.7722 5.7722 16.5964 16.5964 16.5973 16.5973 16.5980 16.5980 16.5992 16.5992 17.5054 17.5055 17.5069 17.5069 k = 0.5000 0.2633 0.1509 ( 4264 PWs) bands (ev): -12.5686 -12.5686 -12.5686 -12.5686 -12.5685 -12.5685 -12.5685 -12.5685 -10.0640 -10.0640 -10.0638 -10.0638 -10.0628 -10.0628 -10.0626 -10.0626 -1.0015 -1.0015 -1.0013 -1.0013 -1.0012 -1.0012 -1.0006 -1.0006 0.9677 0.9677 0.9698 0.9698 0.9700 0.9700 0.9708 0.9708 2.3505 2.3505 2.3509 2.3509 2.3510 2.3510 2.3523 2.3523 3.5431 3.5431 3.5439 3.5439 3.5450 3.5450 3.5481 3.5481 4.7108 4.7108 4.7171 4.7171 4.7218 4.7218 4.7231 4.7231 5.7585 5.7585 5.7609 5.7609 5.7657 5.7657 5.7703 5.7703 16.6282 16.6282 16.6291 16.6291 16.6297 16.6297 16.6310 16.6310 17.4685 17.4686 17.4699 17.4703 k = 0.5000 0.2721 0.1509 ( 4268 PWs) bands (ev): -12.5660 -12.5660 -12.5660 -12.5660 -12.5659 -12.5659 -12.5659 -12.5659 -10.0680 -10.0680 -10.0679 -10.0679 -10.0668 -10.0668 -10.0666 -10.0666 -0.9992 -0.9992 -0.9990 -0.9990 -0.9990 -0.9990 -0.9983 -0.9983 0.9496 0.9496 0.9516 0.9516 0.9517 0.9517 0.9523 0.9523 2.3710 2.3710 2.3713 2.3713 2.3714 2.3714 2.3727 2.3727 3.5350 3.5350 3.5356 3.5356 3.5369 3.5369 3.5397 3.5397 4.7231 4.7231 4.7287 4.7287 4.7341 4.7341 4.7353 4.7353 5.7564 5.7564 5.7585 5.7585 5.7641 5.7641 5.7680 5.7680 16.6613 16.6613 16.6623 16.6623 16.6628 16.6628 16.6640 16.6640 17.4301 17.4301 17.4315 17.4315 k = 0.5000 0.2809 0.1509 ( 4264 PWs) bands (ev): -12.5637 -12.5637 -12.5637 -12.5637 -12.5636 -12.5636 -12.5636 -12.5636 -10.0715 -10.0715 -10.0713 -10.0713 -10.0702 -10.0702 -10.0700 -10.0700 -0.9971 -0.9971 -0.9969 -0.9969 -0.9968 -0.9968 -0.9962 -0.9962 0.9339 0.9339 0.9357 0.9357 0.9359 0.9359 0.9362 0.9362 2.3892 2.3892 2.3894 2.3894 2.3897 2.3897 2.3908 2.3908 3.5272 3.5272 3.5277 3.5277 3.5292 3.5292 3.5316 3.5316 4.7345 4.7345 4.7391 4.7391 4.7454 4.7454 4.7464 4.7464 5.7542 5.7542 5.7561 5.7561 5.7623 5.7623 5.7656 5.7656 16.6949 16.6949 16.6958 16.6958 16.6963 16.6963 16.6974 16.6974 17.3915 17.3915 17.3929 17.3929 k = 0.5000 0.2897 0.1509 ( 4260 PWs) bands (ev): -12.5618 -12.5618 -12.5618 -12.5618 -12.5617 -12.5617 -12.5617 -12.5617 -10.0743 -10.0743 -10.0742 -10.0742 -10.0730 -10.0730 -10.0729 -10.0729 -0.9953 -0.9953 -0.9951 -0.9951 -0.9949 -0.9949 -0.9945 -0.9945 0.9209 0.9209 0.9225 0.9225 0.9226 0.9226 0.9227 0.9227 2.4046 2.4046 2.4048 2.4048 2.4052 2.4052 2.4061 2.4061 3.5202 3.5202 3.5205 3.5205 3.5223 3.5223 3.5242 3.5242 4.7444 4.7444 4.7481 4.7481 4.7552 4.7552 4.7560 4.7560 5.7521 5.7521 5.7536 5.7536 5.7605 5.7605 5.7633 5.7633 16.7276 16.7276 16.7284 16.7284 16.7288 16.7288 16.7298 16.7298 17.3544 17.3544 17.3556 17.3556 k = 0.5000 0.2984 0.1509 ( 4260 PWs) bands (ev): -12.5604 -12.5604 -12.5604 -12.5604 -12.5603 -12.5603 -12.5602 -12.5602 -10.0765 -10.0765 -10.0765 -10.0765 -10.0753 -10.0753 -10.0752 -10.0752 -0.9938 -0.9938 -0.9937 -0.9937 -0.9934 -0.9934 -0.9931 -0.9931 0.9106 0.9106 0.9120 0.9120 0.9120 0.9120 0.9121 0.9121 2.4171 2.4171 2.4172 2.4172 2.4177 2.4177 2.4185 2.4185 3.5143 3.5143 3.5145 3.5145 3.5165 3.5165 3.5180 3.5180 4.7525 4.7525 4.7554 4.7554 4.7632 4.7632 4.7639 4.7639 5.7503 5.7503 5.7515 5.7515 5.7590 5.7590 5.7611 5.7611 16.7574 16.7574 16.7582 16.7582 16.7585 16.7585 16.7594 16.7594 17.3207 17.3207 17.3218 17.3218 k = 0.5000 0.3072 0.1509 ( 4252 PWs) bands (ev): -12.5593 -12.5593 -12.5593 -12.5593 -12.5592 -12.5592 -12.5592 -12.5592 -10.0782 -10.0782 -10.0781 -10.0781 -10.0769 -10.0769 -10.0768 -10.0768 -0.9927 -0.9927 -0.9926 -0.9926 -0.9923 -0.9923 -0.9920 -0.9920 0.9033 0.9033 0.9042 0.9042 0.9045 0.9045 0.9046 0.9046 2.4262 2.4262 2.4263 2.4263 2.4270 2.4270 2.4275 2.4275 3.5098 3.5098 3.5100 3.5100 3.5122 3.5122 3.5132 3.5132 4.7588 4.7588 4.7607 4.7607 4.7692 4.7692 4.7696 4.7696 5.7490 5.7490 5.7498 5.7498 5.7580 5.7580 5.7594 5.7594 16.7822 16.7822 16.7829 16.7829 16.7830 16.7830 16.7838 16.7838 17.2933 17.2933 17.2941 17.2941 k = 0.5000 0.3160 0.1509 ( 4260 PWs) bands (ev): -12.5587 -12.5587 -12.5587 -12.5587 -12.5585 -12.5585 -12.5585 -12.5585 -10.0791 -10.0791 -10.0791 -10.0791 -10.0778 -10.0778 -10.0778 -10.0778 -0.9920 -0.9920 -0.9920 -0.9920 -0.9915 -0.9915 -0.9914 -0.9914 0.8989 0.8989 0.8994 0.8994 0.8999 0.8999 0.9000 0.9000 2.4318 2.4318 2.4318 2.4318 2.4326 2.4326 2.4329 2.4329 3.5070 3.5070 3.5071 3.5071 3.5097 3.5097 3.5102 3.5102 4.7627 4.7627 4.7637 4.7637 4.7729 4.7729 4.7731 4.7731 5.7482 5.7482 5.7486 5.7486 5.7574 5.7574 5.7581 5.7581 16.7989 16.7989 16.7993 16.7993 16.7996 16.7996 16.8001 16.8001 17.2751 17.2751 17.2755 17.2755 k = 0.5000 0.3248 0.1509 ( 4256 PWs) bands (ev): -12.5585 -12.5585 -12.5585 -12.5585 -12.5583 -12.5583 -12.5583 -12.5583 -10.0794 -10.0794 -10.0794 -10.0794 -10.0781 -10.0781 -10.0781 -10.0781 -0.9917 -0.9917 -0.9917 -0.9917 -0.9912 -0.9912 -0.9912 -0.9912 0.8976 0.8976 0.8976 0.8976 0.8984 0.8984 0.8984 0.8984 2.4337 2.4337 2.4337 2.4337 2.4346 2.4346 2.4346 2.4346 3.5061 3.5061 3.5061 3.5061 3.5090 3.5090 3.5090 3.5090 4.7644 4.7644 4.7644 4.7644 4.7742 4.7742 4.7742 4.7742 5.7481 5.7481 5.7481 5.7481 5.7575 5.7575 5.7575 5.7575 16.8050 16.8050 16.8050 16.8050 16.8057 16.8057 16.8057 16.8057 17.2688 17.2688 17.2688 17.2688 k = 0.5000 0.3248 0.1509 ( 4256 PWs) bands (ev): -12.5585 -12.5585 -12.5585 -12.5585 -12.5583 -12.5583 -12.5583 -12.5583 -10.0794 -10.0794 -10.0794 -10.0794 -10.0781 -10.0781 -10.0781 -10.0781 -0.9917 -0.9917 -0.9917 -0.9917 -0.9912 -0.9912 -0.9912 -0.9912 0.8976 0.8976 0.8976 0.8976 0.8984 0.8984 0.8984 0.8984 2.4337 2.4337 2.4337 2.4337 2.4346 2.4346 2.4346 2.4346 3.5061 3.5061 3.5061 3.5061 3.5090 3.5090 3.5090 3.5090 4.7644 4.7644 4.7644 4.7644 4.7742 4.7742 4.7742 4.7742 5.7481 5.7481 5.7481 5.7481 5.7575 5.7575 5.7575 5.7575 16.8050 16.8050 16.8050 16.8050 16.8057 16.8057 16.8057 16.8057 17.2688 17.2688 17.2688 17.2688 k = 0.4911 0.3248 0.1509 ( 4256 PWs) bands (ev): -12.5686 -12.5686 -12.5686 -12.5686 -12.5492 -12.5492 -12.5492 -12.5492 -10.0802 -10.0802 -10.0802 -10.0802 -10.0782 -10.0782 -10.0782 -10.0782 -1.0219 -1.0219 -1.0219 -1.0219 -0.9600 -0.9600 -0.9600 -0.9600 0.8876 0.8876 0.8876 0.8876 0.9107 0.9107 0.9107 0.9107 2.4333 2.4333 2.4333 2.4333 2.4363 2.4363 2.4363 2.4363 3.4882 3.4882 3.4882 3.4882 3.5269 3.5269 3.5269 3.5269 4.7641 4.7641 4.7641 4.7641 4.7752 4.7752 4.7752 4.7752 5.7476 5.7476 5.7476 5.7476 5.7580 5.7580 5.7580 5.7580 16.7838 16.7838 16.7838 16.7838 16.8260 16.8260 16.8260 16.8260 17.2582 17.2582 17.2582 17.2582 k = 0.4821 0.3248 0.1509 ( 4248 PWs) bands (ev): -12.5797 -12.5797 -12.5797 -12.5797 -12.5409 -12.5409 -12.5409 -12.5409 -10.0823 -10.0823 -10.0823 -10.0823 -10.0788 -10.0788 -10.0788 -10.0788 -1.0513 -1.0513 -1.0513 -1.0513 -0.9273 -0.9273 -0.9273 -0.9273 0.8792 0.8792 0.8792 0.8792 0.9256 0.9256 0.9256 0.9256 2.4339 2.4339 2.4339 2.4339 2.4399 2.4399 2.4399 2.4399 3.4691 3.4691 3.4691 3.4691 3.5461 3.5461 3.5461 3.5461 4.7636 4.7636 4.7636 4.7636 4.7777 4.7777 4.7777 4.7777 5.7464 5.7464 5.7464 5.7464 5.7594 5.7594 5.7594 5.7594 16.7622 16.7622 16.7622 16.7622 16.8452 16.8452 16.8452 16.8452 17.2505 17.2505 17.2505 17.2505 k = 0.4732 0.3248 0.1509 ( 4260 PWs) bands (ev): -12.5918 -12.5918 -12.5918 -12.5918 -12.5336 -12.5336 -12.5336 -12.5336 -10.0852 -10.0852 -10.0852 -10.0852 -10.0802 -10.0802 -10.0802 -10.0802 -1.0797 -1.0797 -1.0797 -1.0797 -0.8936 -0.8936 -0.8936 -0.8936 0.8730 0.8730 0.8730 0.8730 0.9427 0.9427 0.9427 0.9427 2.4357 2.4357 2.4357 2.4357 2.4449 2.4449 2.4449 2.4449 3.4503 3.4503 3.4503 3.4503 3.5649 3.5649 3.5649 3.5649 4.7635 4.7635 4.7635 4.7635 4.7812 4.7812 4.7812 4.7812 5.7448 5.7448 5.7448 5.7448 5.7613 5.7613 5.7613 5.7613 16.7407 16.7407 16.7407 16.7407 16.8623 16.8623 16.8623 16.8623 17.2477 17.2477 17.2477 17.2477 k = 0.4643 0.3248 0.1509 ( 4260 PWs) bands (ev): -12.6047 -12.6047 -12.6047 -12.6047 -12.5273 -12.5273 -12.5273 -12.5273 -10.0891 -10.0891 -10.0891 -10.0891 -10.0825 -10.0825 -10.0825 -10.0825 -1.1071 -1.1071 -1.1071 -1.1071 -0.8587 -0.8587 -0.8587 -0.8587 0.8687 0.8687 0.8687 0.8687 0.9620 0.9620 0.9620 0.9620 2.4387 2.4387 2.4387 2.4387 2.4515 2.4515 2.4515 2.4515 3.4322 3.4322 3.4322 3.4322 3.5833 3.5833 3.5833 3.5833 4.7641 4.7641 4.7641 4.7641 4.7853 4.7853 4.7853 4.7853 5.7431 5.7431 5.7431 5.7431 5.7635 5.7635 5.7635 5.7635 16.7198 16.7198 16.7198 16.7198 16.8764 16.8764 16.8764 16.8764 17.2503 17.2503 17.2503 17.2503 k = 0.4554 0.3248 0.1509 ( 4256 PWs) bands (ev): -12.6185 -12.6185 -12.6185 -12.6185 -12.5220 -12.5220 -12.5220 -12.5220 -10.0937 -10.0937 -10.0937 -10.0937 -10.0857 -10.0857 -10.0857 -10.0857 -1.1335 -1.1335 -1.1335 -1.1335 -0.8226 -0.8226 -0.8226 -0.8226 0.8662 0.8662 0.8662 0.8662 0.9835 0.9835 0.9835 0.9835 2.4428 2.4428 2.4428 2.4428 2.4597 2.4597 2.4597 2.4597 3.4150 3.4150 3.4150 3.4150 3.6011 3.6011 3.6011 3.6011 4.7656 4.7656 4.7656 4.7656 4.7898 4.7898 4.7898 4.7898 5.7413 5.7413 5.7413 5.7413 5.7659 5.7659 5.7659 5.7659 16.6997 16.6997 16.6997 16.6997 16.8872 16.8872 16.8872 16.8872 17.2587 17.2587 17.2587 17.2587 k = 0.4464 0.3248 0.1509 ( 4248 PWs) bands (ev): -12.6332 -12.6332 -12.6332 -12.6332 -12.5176 -12.5176 -12.5176 -12.5176 -10.0993 -10.0993 -10.0993 -10.0993 -10.0896 -10.0896 -10.0896 -10.0896 -1.1591 -1.1591 -1.1591 -1.1591 -0.7855 -0.7855 -0.7855 -0.7855 0.8656 0.8656 0.8656 0.8656 1.0072 1.0072 1.0072 1.0072 2.4479 2.4479 2.4479 2.4479 2.4695 2.4695 2.4695 2.4695 3.3989 3.3989 3.3989 3.3989 3.6184 3.6184 3.6184 3.6184 4.7680 4.7680 4.7680 4.7680 4.7945 4.7945 4.7945 4.7945 5.7395 5.7395 5.7395 5.7395 5.7684 5.7684 5.7684 5.7684 16.6806 16.6806 16.6806 16.6806 16.8946 16.8946 16.8946 16.8946 17.2729 17.2729 17.2729 17.2729 k = 0.4375 0.3248 0.1509 ( 4248 PWs) bands (ev): -12.6487 -12.6487 -12.6487 -12.6487 -12.5143 -12.5143 -12.5143 -12.5143 -10.1056 -10.1056 -10.1056 -10.1056 -10.0944 -10.0944 -10.0944 -10.0944 -1.1839 -1.1839 -1.1839 -1.1839 -0.7472 -0.7472 -0.7472 -0.7472 0.8665 0.8665 0.8665 0.8665 1.0330 1.0330 1.0330 1.0330 2.4541 2.4541 2.4541 2.4541 2.4811 2.4811 2.4811 2.4811 3.3841 3.3841 3.3841 3.3841 3.6350 3.6350 3.6350 3.6350 4.7715 4.7715 4.7715 4.7715 4.7993 4.7993 4.7993 4.7993 5.7377 5.7377 5.7377 5.7377 5.7710 5.7710 5.7710 5.7710 16.6625 16.6625 16.6625 16.6625 16.8987 16.8987 16.8987 16.8987 17.2922 17.2922 17.2922 17.2922 k = 0.4286 0.3248 0.1509 ( 4260 PWs) bands (ev): -12.6649 -12.6649 -12.6649 -12.6649 -12.5119 -12.5119 -12.5119 -12.5119 -10.1128 -10.1128 -10.1128 -10.1128 -10.1000 -10.1000 -10.1000 -10.1000 -1.2078 -1.2078 -1.2078 -1.2078 -0.7079 -0.7079 -0.7079 -0.7079 0.8689 0.8689 0.8689 0.8689 1.0607 1.0607 1.0607 1.0607 2.4613 2.4613 2.4613 2.4613 2.4945 2.4945 2.4945 2.4945 3.3709 3.3709 3.3709 3.3709 3.6511 3.6511 3.6511 3.6511 4.7760 4.7760 4.7760 4.7760 4.8042 4.8042 4.8042 4.8042 5.7359 5.7359 5.7359 5.7359 5.7737 5.7737 5.7737 5.7737 16.6456 16.6456 16.6456 16.6456 16.9000 16.9000 16.9000 16.9000 17.3159 17.3159 17.3159 17.3159 k = 0.4196 0.3248 0.1509 ( 4264 PWs) bands (ev): -12.6819 -12.6819 -12.6819 -12.6819 -12.5104 -12.5104 -12.5104 -12.5104 -10.1207 -10.1207 -10.1207 -10.1207 -10.1064 -10.1064 -10.1064 -10.1064 -1.2310 -1.2310 -1.2310 -1.2310 -0.6676 -0.6676 -0.6676 -0.6676 0.8726 0.8726 0.8726 0.8726 1.0904 1.0904 1.0904 1.0904 2.4694 2.4694 2.4694 2.4694 2.5097 2.5097 2.5097 2.5097 3.3596 3.3596 3.3596 3.3596 3.6665 3.6665 3.6665 3.6665 4.7816 4.7816 4.7816 4.7816 4.8091 4.8091 4.8091 4.8091 5.7342 5.7342 5.7342 5.7342 5.7765 5.7765 5.7765 5.7765 16.6297 16.6297 16.6297 16.6297 16.8992 16.8992 16.8992 16.8992 17.3429 17.3429 17.3429 17.3429 k = 0.4107 0.3248 0.1509 ( 4244 PWs) bands (ev): -12.6995 -12.6995 -12.6995 -12.6995 -12.5099 -12.5099 -12.5099 -12.5099 -10.1293 -10.1293 -10.1293 -10.1293 -10.1136 -10.1136 -10.1136 -10.1136 -1.2535 -1.2535 -1.2535 -1.2535 -0.6262 -0.6262 -0.6262 -0.6262 0.8774 0.8774 0.8774 0.8774 1.1219 1.1219 1.1219 1.1219 2.4785 2.4785 2.4785 2.4785 2.5267 2.5267 2.5267 2.5267 3.3504 3.3504 3.3504 3.3504 3.6815 3.6815 3.6815 3.6815 4.7882 4.7882 4.7882 4.7882 4.8139 4.8139 4.8139 4.8139 5.7325 5.7325 5.7325 5.7325 5.7794 5.7794 5.7794 5.7794 16.6148 16.6148 16.6148 16.6148 16.8968 16.8968 16.8968 16.8968 17.3723 17.3723 17.3723 17.3723 k = 0.4018 0.3248 0.1509 ( 4252 PWs) bands (ev): -12.7178 -12.7178 -12.7178 -12.7178 -12.5102 -12.5102 -12.5102 -12.5102 -10.1387 -10.1387 -10.1387 -10.1387 -10.1214 -10.1214 -10.1214 -10.1214 -1.2755 -1.2755 -1.2755 -1.2755 -0.5840 -0.5840 -0.5840 -0.5840 0.8831 0.8831 0.8831 0.8831 1.1550 1.1550 1.1550 1.1550 2.4886 2.4886 2.4886 2.4886 2.5456 2.5456 2.5456 2.5456 3.3435 3.3435 3.3435 3.3435 3.6960 3.6960 3.6960 3.6960 4.7958 4.7958 4.7958 4.7958 4.8185 4.8185 4.8185 4.8185 5.7308 5.7308 5.7308 5.7308 5.7822 5.7822 5.7822 5.7822 16.6009 16.6009 16.6009 16.6009 16.8932 16.8932 16.8932 16.8932 17.4030 17.4030 17.4030 17.4030 k = 0.3929 0.3248 0.1509 ( 4252 PWs) bands (ev): -12.7367 -12.7367 -12.7367 -12.7367 -12.5114 -12.5114 -12.5114 -12.5114 -10.1487 -10.1487 -10.1487 -10.1487 -10.1300 -10.1300 -10.1300 -10.1300 -1.2968 -1.2968 -1.2968 -1.2968 -0.5409 -0.5409 -0.5409 -0.5409 0.8895 0.8895 0.8895 0.8895 1.1895 1.1895 1.1895 1.1895 2.4996 2.4996 2.4996 2.4996 2.5663 2.5663 2.5663 2.5663 3.3391 3.3391 3.3391 3.3391 3.7103 3.7103 3.7103 3.7103 4.8041 4.8041 4.8041 4.8041 4.8230 4.8230 4.8230 4.8230 5.7292 5.7292 5.7292 5.7292 5.7851 5.7851 5.7851 5.7851 16.5878 16.5878 16.5878 16.5878 16.8889 16.8889 16.8889 16.8889 17.4340 17.4340 17.4340 17.4340 k = 0.3839 0.3248 0.1509 ( 4248 PWs) bands (ev): -12.7562 -12.7562 -12.7562 -12.7562 -12.5135 -12.5135 -12.5135 -12.5135 -10.1594 -10.1594 -10.1594 -10.1594 -10.1392 -10.1392 -10.1392 -10.1392 -1.3176 -1.3176 -1.3176 -1.3176 -0.4971 -0.4971 -0.4971 -0.4971 0.8964 0.8964 0.8964 0.8964 1.2254 1.2254 1.2254 1.2254 2.5117 2.5117 2.5117 2.5117 2.5890 2.5890 2.5890 2.5890 3.3375 3.3375 3.3375 3.3375 3.7245 3.7245 3.7245 3.7245 4.8130 4.8130 4.8130 4.8130 4.8276 4.8276 4.8276 4.8276 5.7276 5.7276 5.7276 5.7276 5.7880 5.7880 5.7880 5.7880 16.5754 16.5754 16.5754 16.5754 16.8839 16.8839 16.8839 16.8839 17.4644 17.4644 17.4644 17.4644 k = 0.3750 0.3248 0.1509 ( 4244 PWs) bands (ev): -12.7761 -12.7761 -12.7761 -12.7761 -12.5164 -12.5164 -12.5164 -12.5164 -10.1706 -10.1706 -10.1706 -10.1706 -10.1490 -10.1490 -10.1490 -10.1490 -1.3379 -1.3379 -1.3379 -1.3379 -0.4526 -0.4526 -0.4526 -0.4526 0.9036 0.9036 0.9036 0.9036 1.2624 1.2624 1.2624 1.2624 2.5248 2.5248 2.5248 2.5248 2.6137 2.6137 2.6137 2.6137 3.3388 3.3388 3.3388 3.3388 3.7387 3.7387 3.7387 3.7387 4.8219 4.8219 4.8219 4.8219 4.8326 4.8326 4.8326 4.8326 5.7261 5.7261 5.7261 5.7261 5.7909 5.7909 5.7909 5.7909 16.5635 16.5635 16.5635 16.5635 16.8784 16.8784 16.8784 16.8784 17.4932 17.4932 17.4932 17.4932 k = 0.3661 0.3248 0.1509 ( 4252 PWs) bands (ev): -12.7965 -12.7965 -12.7965 -12.7965 -12.5201 -12.5201 -12.5201 -12.5201 -10.1825 -10.1825 -10.1825 -10.1825 -10.1594 -10.1594 -10.1594 -10.1594 -1.3578 -1.3578 -1.3578 -1.3578 -0.4076 -0.4076 -0.4076 -0.4076 0.9109 0.9109 0.9109 0.9109 1.3003 1.3003 1.3003 1.3003 2.5391 2.5391 2.5391 2.5391 2.6402 2.6402 2.6402 2.6402 3.3431 3.3431 3.3431 3.3431 3.7533 3.7533 3.7533 3.7533 4.8292 4.8292 4.8292 4.8292 4.8397 4.8397 4.8397 4.8397 5.7246 5.7246 5.7246 5.7246 5.7937 5.7937 5.7937 5.7937 16.5519 16.5519 16.5519 16.5519 16.8724 16.8724 16.8724 16.8724 17.5196 17.5196 17.5196 17.5196 k = 0.3571 0.3248 0.1509 ( 4252 PWs) bands (ev): -12.8173 -12.8173 -12.8173 -12.8173 -12.5245 -12.5245 -12.5245 -12.5245 -10.1948 -10.1948 -10.1948 -10.1948 -10.1704 -10.1704 -10.1704 -10.1704 -1.3772 -1.3772 -1.3772 -1.3772 -0.3622 -0.3622 -0.3622 -0.3622 0.9181 0.9181 0.9181 0.9181 1.3389 1.3389 1.3389 1.3389 2.5547 2.5547 2.5547 2.5547 2.6687 2.6687 2.6687 2.6687 3.3507 3.3507 3.3507 3.3507 3.7683 3.7683 3.7683 3.7683 4.8340 4.8340 4.8340 4.8340 4.8495 4.8495 4.8495 4.8495 5.7232 5.7232 5.7232 5.7232 5.7965 5.7965 5.7965 5.7965 16.5404 16.5404 16.5404 16.5404 16.8660 16.8660 16.8660 16.8660 17.5428 17.5428 17.5428 17.5428 k = 0.3482 0.3248 0.1509 ( 4248 PWs) bands (ev): -12.8384 -12.8384 -12.8384 -12.8384 -12.5296 -12.5296 -12.5296 -12.5296 -10.2076 -10.2076 -10.2076 -10.2076 -10.1819 -10.1819 -10.1819 -10.1819 -1.3963 -1.3963 -1.3963 -1.3963 -0.3166 -0.3166 -0.3166 -0.3166 0.9252 0.9252 0.9252 0.9252 1.3779 1.3779 1.3779 1.3779 2.5715 2.5715 2.5715 2.5715 2.6992 2.6992 2.6992 2.6992 3.3615 3.3615 3.3615 3.3615 3.7840 3.7840 3.7840 3.7840 4.8374 4.8374 4.8374 4.8374 4.8609 4.8609 4.8609 4.8609 5.7217 5.7217 5.7217 5.7217 5.7991 5.7991 5.7991 5.7991 16.5288 16.5288 16.5288 16.5288 16.8589 16.8589 16.8589 16.8589 17.5618 17.5618 17.5618 17.5618 k = 0.3393 0.3248 0.1509 ( 4260 PWs) bands (ev): -12.8598 -12.8598 -12.8598 -12.8598 -12.5353 -12.5353 -12.5353 -12.5353 -10.2209 -10.2209 -10.2209 -10.2209 -10.1938 -10.1938 -10.1938 -10.1938 -1.4151 -1.4151 -1.4151 -1.4151 -0.2709 -0.2709 -0.2709 -0.2709 0.9318 0.9318 0.9318 0.9318 1.4170 1.4170 1.4170 1.4170 2.5898 2.5898 2.5898 2.5898 2.7317 2.7317 2.7317 2.7317 3.3757 3.3757 3.3757 3.3757 3.8006 3.8006 3.8006 3.8006 4.8401 4.8401 4.8401 4.8401 4.8731 4.8731 4.8731 4.8731 5.7203 5.7203 5.7203 5.7203 5.8017 5.8017 5.8017 5.8017 16.5167 16.5167 16.5167 16.5167 16.8510 16.8510 16.8510 16.8510 17.5761 17.5761 17.5761 17.5761 k = 0.3304 0.3248 0.1509 ( 4256 PWs) bands (ev): -12.8814 -12.8814 -12.8814 -12.8814 -12.5417 -12.5417 -12.5417 -12.5417 -10.2345 -10.2345 -10.2345 -10.2345 -10.2061 -10.2061 -10.2061 -10.2061 -1.4335 -1.4335 -1.4335 -1.4335 -0.2253 -0.2253 -0.2253 -0.2253 0.9380 0.9380 0.9380 0.9380 1.4561 1.4561 1.4561 1.4561 2.6097 2.6097 2.6097 2.6097 2.7661 2.7661 2.7661 2.7661 3.3932 3.3932 3.3932 3.3932 3.8183 3.8183 3.8183 3.8183 4.8424 4.8424 4.8424 4.8424 4.8858 4.8858 4.8858 4.8858 5.7190 5.7190 5.7190 5.7190 5.8041 5.8041 5.8041 5.8041 16.5040 16.5040 16.5040 16.5040 16.8422 16.8422 16.8422 16.8422 17.5849 17.5849 17.5849 17.5849 k = 0.3214 0.3248 0.1509 ( 4256 PWs) bands (ev): -12.9032 -12.9032 -12.9032 -12.9032 -12.5486 -12.5486 -12.5486 -12.5486 -10.2485 -10.2485 -10.2485 -10.2485 -10.2189 -10.2189 -10.2189 -10.2189 -1.4516 -1.4516 -1.4516 -1.4516 -0.1800 -0.1800 -0.1800 -0.1800 0.9436 0.9436 0.9436 0.9436 1.4947 1.4947 1.4947 1.4947 2.6311 2.6311 2.6311 2.6311 2.8026 2.8026 2.8026 2.8026 3.4140 3.4140 3.4140 3.4140 3.8373 3.8373 3.8373 3.8373 4.8443 4.8443 4.8443 4.8443 4.8989 4.8989 4.8989 4.8989 5.7177 5.7177 5.7177 5.7177 5.8062 5.8062 5.8062 5.8062 16.4903 16.4903 16.4903 16.4903 16.8322 16.8322 16.8322 16.8322 17.5848 17.5848 17.5848 17.5848 k = 0.3125 0.3248 0.1509 ( 4260 PWs) bands (ev): -12.9252 -12.9252 -12.9252 -12.9252 -12.5561 -12.5561 -12.5561 -12.5561 -10.2627 -10.2627 -10.2627 -10.2627 -10.2319 -10.2319 -10.2319 -10.2319 -1.4695 -1.4695 -1.4695 -1.4695 -0.1352 -0.1352 -0.1352 -0.1352 0.9486 0.9486 0.9486 0.9486 1.5327 1.5327 1.5327 1.5327 2.6543 2.6543 2.6543 2.6543 2.8410 2.8410 2.8410 2.8410 3.4381 3.4381 3.4381 3.4381 3.8576 3.8576 3.8576 3.8576 4.8459 4.8459 4.8459 4.8459 4.9123 4.9123 4.9123 4.9123 5.7163 5.7163 5.7163 5.7163 5.8082 5.8082 5.8082 5.8082 16.4753 16.4753 16.4753 16.4753 16.8208 16.8208 16.8208 16.8208 17.5689 17.5689 17.5689 17.5689 k = 0.3036 0.3248 0.1509 ( 4260 PWs) bands (ev): -12.9472 -12.9472 -12.9472 -12.9472 -12.5640 -12.5640 -12.5640 -12.5640 -10.2772 -10.2772 -10.2772 -10.2772 -10.2452 -10.2452 -10.2452 -10.2452 -1.4871 -1.4871 -1.4871 -1.4871 -0.0911 -0.0911 -0.0911 -0.0911 0.9531 0.9531 0.9531 0.9531 1.5698 1.5698 1.5698 1.5698 2.6793 2.6793 2.6793 2.6793 2.8814 2.8814 2.8814 2.8814 3.4655 3.4655 3.4655 3.4655 3.8796 3.8796 3.8796 3.8796 4.8473 4.8473 4.8473 4.8473 4.9259 4.9259 4.9259 4.9259 5.7150 5.7150 5.7150 5.7150 5.8099 5.8099 5.8099 5.8099 16.4588 16.4588 16.4588 16.4588 16.8079 16.8079 16.8079 16.8079 17.5474 17.5474 17.5474 17.5474 k = 0.2946 0.3248 0.1509 ( 4260 PWs) bands (ev): -12.9692 -12.9692 -12.9692 -12.9692 -12.5724 -12.5724 -12.5724 -12.5724 -10.2919 -10.2919 -10.2919 -10.2919 -10.2588 -10.2588 -10.2588 -10.2588 -1.5045 -1.5045 -1.5045 -1.5045 -0.0480 -0.0480 -0.0480 -0.0480 0.9569 0.9569 0.9569 0.9569 1.6056 1.6056 1.6056 1.6056 2.7062 2.7062 2.7062 2.7062 2.9239 2.9239 2.9239 2.9239 3.4960 3.4960 3.4960 3.4960 3.9031 3.9031 3.9031 3.9031 4.8486 4.8486 4.8486 4.8486 4.9397 4.9397 4.9397 4.9397 5.7137 5.7137 5.7137 5.7137 5.8114 5.8114 5.8114 5.8114 16.4406 16.4406 16.4406 16.4406 16.7931 16.7931 16.7931 16.7931 17.5207 17.5207 17.5207 17.5207 k = 0.2857 0.3248 0.1509 ( 4264 PWs) bands (ev): -12.9912 -12.9912 -12.9912 -12.9912 -12.5811 -12.5811 -12.5811 -12.5811 -10.3068 -10.3068 -10.3068 -10.3068 -10.2725 -10.2725 -10.2725 -10.2725 -1.5216 -1.5216 -1.5216 -1.5216 -0.0060 -0.0060 -0.0060 -0.0060 0.9602 0.9602 0.9602 0.9602 1.6400 1.6400 1.6400 1.6400 2.7350 2.7350 2.7350 2.7350 2.9683 2.9683 2.9683 2.9683 3.5294 3.5294 3.5294 3.5294 3.9283 3.9283 3.9283 3.9283 4.8497 4.8497 4.8497 4.8497 4.9537 4.9537 4.9537 4.9537 5.7123 5.7123 5.7123 5.7123 5.8125 5.8125 5.8125 5.8125 16.4202 16.4202 16.4202 16.4202 16.7763 16.7763 16.7763 16.7763 17.4889 17.4889 17.4889 17.4889 k = 0.2768 0.3248 0.1509 ( 4260 PWs) bands (ev): -13.0131 -13.0131 -13.0131 -13.0131 -12.5902 -12.5902 -12.5902 -12.5902 -10.3217 -10.3217 -10.3217 -10.3217 -10.2864 -10.2864 -10.2864 -10.2864 -1.5384 -1.5384 -1.5384 -1.5384 0.0346 0.0346 0.0346 0.0346 0.9631 0.9631 0.9631 0.9631 1.6727 1.6727 1.6727 1.6727 2.7657 2.7657 2.7657 2.7657 3.0147 3.0147 3.0147 3.0147 3.5657 3.5657 3.5657 3.5657 3.9553 3.9553 3.9553 3.9553 4.8508 4.8508 4.8508 4.8508 4.9679 4.9679 4.9679 4.9679 5.7109 5.7109 5.7109 5.7109 5.8132 5.8132 5.8132 5.8132 16.3976 16.3976 16.3976 16.3976 16.7573 16.7573 16.7573 16.7573 17.4523 17.4523 17.4523 17.4523 k = 0.2679 0.3248 0.1509 ( 4256 PWs) bands (ev): -13.0348 -13.0348 -13.0348 -13.0348 -12.5995 -12.5995 -12.5995 -12.5995 -10.3367 -10.3367 -10.3367 -10.3367 -10.3003 -10.3003 -10.3003 -10.3003 -1.5550 -1.5550 -1.5550 -1.5550 0.0735 0.0735 0.0735 0.0735 0.9658 0.9658 0.9658 0.9658 1.7036 1.7036 1.7036 1.7036 2.7984 2.7984 2.7984 2.7984 3.0631 3.0631 3.0631 3.0631 3.6046 3.6046 3.6046 3.6046 3.9839 3.9839 3.9839 3.9839 4.8519 4.8519 4.8519 4.8519 4.9823 4.9823 4.9823 4.9823 5.7094 5.7094 5.7094 5.7094 5.8136 5.8136 5.8136 5.8136 16.3725 16.3725 16.3725 16.3725 16.7359 16.7359 16.7359 16.7359 17.4113 17.4113 17.4113 17.4113 k = 0.2589 0.3248 0.1509 ( 4260 PWs) bands (ev): -13.0564 -13.0564 -13.0564 -13.0564 -12.6091 -12.6091 -12.6091 -12.6091 -10.3517 -10.3517 -10.3517 -10.3517 -10.3144 -10.3144 -10.3144 -10.3144 -1.5713 -1.5713 -1.5713 -1.5713 0.1104 0.1104 0.1104 0.1104 0.9683 0.9683 0.9683 0.9683 1.7325 1.7325 1.7325 1.7325 2.8330 2.8330 2.8330 2.8330 3.1133 3.1133 3.1133 3.1133 3.6459 3.6459 3.6459 3.6459 4.0140 4.0140 4.0140 4.0140 4.8531 4.8531 4.8531 4.8531 4.9971 4.9971 4.9971 4.9971 5.7079 5.7079 5.7079 5.7079 5.8135 5.8135 5.8135 5.8135 16.3447 16.3447 16.3447 16.3447 16.7119 16.7119 16.7119 16.7119 17.3661 17.3661 17.3661 17.3661 k = 0.2500 0.3248 0.1509 ( 4252 PWs) bands (ev): -13.0777 -13.0777 -13.0777 -13.0777 -12.6189 -12.6189 -12.6189 -12.6189 -10.3667 -10.3667 -10.3667 -10.3667 -10.3284 -10.3284 -10.3284 -10.3284 -1.5874 -1.5874 -1.5874 -1.5874 0.1452 0.1452 0.1452 0.1452 0.9709 0.9709 0.9709 0.9709 1.7592 1.7592 1.7592 1.7592 2.8694 2.8694 2.8694 2.8694 3.1653 3.1653 3.1653 3.1653 3.6894 3.6894 3.6894 3.6894 4.0457 4.0457 4.0457 4.0457 4.8546 4.8546 4.8546 4.8546 5.0121 5.0121 5.0121 5.0121 5.7062 5.7062 5.7062 5.7062 5.8130 5.8130 5.8130 5.8130 16.3142 16.3142 16.3142 16.3142 16.6853 16.6853 16.6853 16.6853 17.3172 17.3172 17.3172 17.3172 k = 0.2411 0.3248 0.1509 ( 4256 PWs) bands (ev): -13.0987 -13.0987 -13.0987 -13.0987 -12.6288 -12.6288 -12.6288 -12.6288 -10.3816 -10.3816 -10.3816 -10.3816 -10.3423 -10.3423 -10.3423 -10.3423 -1.6032 -1.6032 -1.6032 -1.6032 0.1777 0.1777 0.1777 0.1777 0.9737 0.9737 0.9737 0.9737 1.7838 1.7838 1.7838 1.7838 2.9077 2.9077 2.9077 2.9077 3.2190 3.2190 3.2190 3.2190 3.7347 3.7347 3.7347 3.7347 4.0786 4.0786 4.0786 4.0786 4.8563 4.8563 4.8563 4.8563 5.0276 5.0276 5.0276 5.0276 5.7044 5.7044 5.7044 5.7044 5.8121 5.8121 5.8121 5.8121 16.2808 16.2808 16.2808 16.2808 16.6560 16.6560 16.6560 16.6560 17.2649 17.2649 17.2649 17.2649 k = 0.2321 0.3248 0.1509 ( 4252 PWs) bands (ev): -13.1194 -13.1194 -13.1194 -13.1194 -12.6388 -12.6388 -12.6388 -12.6388 -10.3963 -10.3963 -10.3963 -10.3963 -10.3562 -10.3562 -10.3562 -10.3562 -1.6186 -1.6186 -1.6186 -1.6186 0.2076 0.2076 0.2076 0.2076 0.9769 0.9769 0.9769 0.9769 1.8061 1.8061 1.8061 1.8061 2.9477 2.9477 2.9477 2.9477 3.2742 3.2742 3.2742 3.2742 3.7815 3.7815 3.7815 3.7815 4.1127 4.1127 4.1127 4.1127 4.8586 4.8586 4.8586 4.8586 5.0436 5.0436 5.0436 5.0436 5.7024 5.7024 5.7024 5.7024 5.8106 5.8106 5.8106 5.8106 16.2446 16.2446 16.2446 16.2446 16.6240 16.6240 16.6240 16.6240 17.2095 17.2095 17.2095 17.2095 k = 0.2232 0.3248 0.1509 ( 4252 PWs) bands (ev): -13.1397 -13.1397 -13.1397 -13.1397 -12.6488 -12.6488 -12.6488 -12.6488 -10.4109 -10.4109 -10.4109 -10.4109 -10.3700 -10.3700 -10.3700 -10.3700 -1.6338 -1.6338 -1.6338 -1.6338 0.2347 0.2347 0.2347 0.2347 0.9806 0.9806 0.9806 0.9806 1.8263 1.8263 1.8263 1.8263 2.9894 2.9894 2.9894 2.9894 3.3308 3.3308 3.3308 3.3308 3.8295 3.8295 3.8295 3.8295 4.1476 4.1476 4.1476 4.1476 4.8614 4.8614 4.8614 4.8614 5.0601 5.0601 5.0601 5.0601 5.7003 5.7003 5.7003 5.7003 5.8086 5.8086 5.8086 5.8086 16.2056 16.2056 16.2056 16.2056 16.5894 16.5894 16.5894 16.5894 17.1515 17.1515 17.1515 17.1515 k = 0.2143 0.3248 0.1509 ( 4252 PWs) bands (ev): -13.1595 -13.1595 -13.1595 -13.1595 -12.6588 -12.6588 -12.6588 -12.6588 -10.4253 -10.4253 -10.4253 -10.4253 -10.3836 -10.3836 -10.3836 -10.3836 -1.6486 -1.6486 -1.6486 -1.6486 0.2590 0.2590 0.2590 0.2590 0.9851 0.9851 0.9851 0.9851 1.8442 1.8442 1.8442 1.8442 3.0326 3.0326 3.0326 3.0326 3.3885 3.3885 3.3885 3.3885 3.8783 3.8783 3.8783 3.8783 4.1831 4.1831 4.1831 4.1831 4.8651 4.8651 4.8651 4.8651 5.0774 5.0774 5.0774 5.0774 5.6979 5.6979 5.6979 5.6979 5.8060 5.8060 5.8060 5.8060 16.1639 16.1639 16.1639 16.1639 16.5522 16.5522 16.5522 16.5522 17.0912 17.0912 17.0912 17.0912 k = 0.2054 0.3248 0.1509 ( 4248 PWs) bands (ev): -13.1789 -13.1789 -13.1789 -13.1789 -12.6688 -12.6688 -12.6688 -12.6688 -10.4394 -10.4394 -10.4394 -10.4394 -10.3969 -10.3969 -10.3969 -10.3969 -1.6630 -1.6630 -1.6630 -1.6630 0.2804 0.2804 0.2804 0.2804 0.9904 0.9904 0.9904 0.9904 1.8601 1.8601 1.8601 1.8601 3.0772 3.0772 3.0772 3.0772 3.4471 3.4471 3.4471 3.4471 3.9274 3.9274 3.9274 3.9274 4.2190 4.2190 4.2190 4.2190 4.8697 4.8697 4.8697 4.8697 5.0954 5.0954 5.0954 5.0954 5.6953 5.6953 5.6953 5.6953 5.8028 5.8028 5.8028 5.8028 16.1197 16.1197 16.1197 16.1197 16.5128 16.5128 16.5128 16.5128 17.0290 17.0290 17.0290 17.0290 k = 0.1964 0.3248 0.1509 ( 4248 PWs) bands (ev): -13.1978 -13.1978 -13.1978 -13.1978 -12.6787 -12.6787 -12.6787 -12.6787 -10.4532 -10.4532 -10.4532 -10.4532 -10.4100 -10.4100 -10.4100 -10.4100 -1.6771 -1.6771 -1.6771 -1.6771 0.2989 0.2989 0.2989 0.2989 0.9964 0.9964 0.9964 0.9964 1.8740 1.8740 1.8740 1.8740 3.1231 3.1231 3.1231 3.1231 3.5063 3.5063 3.5063 3.5063 3.9765 3.9765 3.9765 3.9765 4.2549 4.2549 4.2549 4.2549 4.8755 4.8755 4.8755 4.8755 5.1144 5.1144 5.1144 5.1144 5.6925 5.6925 5.6925 5.6925 5.7989 5.7989 5.7989 5.7989 16.0732 16.0732 16.0732 16.0732 16.4712 16.4712 16.4712 16.4712 16.9652 16.9652 16.9652 16.9652 k = 0.1875 0.3248 0.1509 ( 4240 PWs) bands (ev): -13.2161 -13.2161 -13.2161 -13.2161 -12.6885 -12.6885 -12.6885 -12.6885 -10.4667 -10.4667 -10.4667 -10.4667 -10.4228 -10.4228 -10.4228 -10.4228 -1.6907 -1.6907 -1.6907 -1.6907 0.3145 0.3145 0.3145 0.3145 1.0034 1.0034 1.0034 1.0034 1.8861 1.8861 1.8861 1.8861 3.1700 3.1700 3.1700 3.1700 3.5659 3.5659 3.5659 3.5659 4.0249 4.0249 4.0249 4.0249 4.2906 4.2906 4.2906 4.2906 4.8828 4.8828 4.8828 4.8828 5.1343 5.1343 5.1343 5.1343 5.6893 5.6893 5.6893 5.6893 5.7945 5.7945 5.7945 5.7945 16.0247 16.0247 16.0247 16.0247 16.4278 16.4278 16.4278 16.4278 16.9002 16.9002 16.9002 16.9002 k = 0.1786 0.3248 0.1509 ( 4224 PWs) bands (ev): -13.2338 -13.2338 -13.2338 -13.2338 -12.6980 -12.6980 -12.6980 -12.6980 -10.4798 -10.4798 -10.4798 -10.4798 -10.4353 -10.4353 -10.4353 -10.4353 -1.7039 -1.7039 -1.7039 -1.7039 0.3274 0.3274 0.3274 0.3274 1.0111 1.0111 1.0111 1.0111 1.8964 1.8964 1.8964 1.8964 3.2178 3.2178 3.2178 3.2178 3.6255 3.6255 3.6255 3.6255 4.0722 4.0722 4.0722 4.0722 4.3258 4.3258 4.3258 4.3258 4.8917 4.8917 4.8917 4.8917 5.1552 5.1552 5.1552 5.1552 5.6859 5.6859 5.6859 5.6859 5.7893 5.7893 5.7893 5.7893 15.9746 15.9746 15.9746 15.9746 16.3829 16.3829 16.3829 16.3829 16.8344 16.8344 16.8344 16.8344 k = 0.1696 0.3248 0.1509 ( 4228 PWs) bands (ev): -13.2509 -13.2509 -13.2509 -13.2509 -12.7074 -12.7074 -12.7074 -12.7074 -10.4925 -10.4925 -10.4925 -10.4925 -10.4474 -10.4474 -10.4474 -10.4474 -1.7167 -1.7167 -1.7167 -1.7167 0.3377 0.3377 0.3377 0.3377 1.0194 1.0194 1.0194 1.0194 1.9051 1.9051 1.9051 1.9051 3.2662 3.2662 3.2662 3.2662 3.6848 3.6848 3.6848 3.6848 4.1179 4.1179 4.1179 4.1179 4.3602 4.3602 4.3602 4.3602 4.9027 4.9027 4.9027 4.9027 5.1771 5.1771 5.1771 5.1771 5.6821 5.6821 5.6821 5.6821 5.7834 5.7834 5.7834 5.7834 15.9231 15.9231 15.9231 15.9231 16.3366 16.3366 16.3366 16.3366 16.7681 16.7681 16.7681 16.7681 k = 0.1607 0.3248 0.1509 ( 4228 PWs) bands (ev): -13.2673 -13.2673 -13.2673 -13.2673 -12.7165 -12.7165 -12.7165 -12.7165 -10.5048 -10.5048 -10.5048 -10.5048 -10.4591 -10.4591 -10.4591 -10.4591 -1.7290 -1.7290 -1.7290 -1.7290 0.3456 0.3456 0.3456 0.3456 1.0284 1.0284 1.0284 1.0284 1.9124 1.9124 1.9124 1.9124 3.3150 3.3150 3.3150 3.3150 3.7434 3.7434 3.7434 3.7434 4.1613 4.1613 4.1613 4.1613 4.3937 4.3937 4.3937 4.3937 4.9160 4.9160 4.9160 4.9160 5.2001 5.2001 5.2001 5.2001 5.6780 5.6780 5.6780 5.6780 5.7768 5.7768 5.7768 5.7768 15.8706 15.8706 15.8706 15.8706 16.2895 16.2895 16.2895 16.2895 16.7018 16.7018 16.7018 16.7018 k = 0.1518 0.3248 0.1509 ( 4228 PWs) bands (ev): -13.2831 -13.2831 -13.2831 -13.2831 -12.7254 -12.7254 -12.7254 -12.7254 -10.5166 -10.5166 -10.5166 -10.5166 -10.4703 -10.4703 -10.4703 -10.4703 -1.7408 -1.7408 -1.7408 -1.7408 0.3515 0.3515 0.3515 0.3515 1.0377 1.0377 1.0377 1.0377 1.9184 1.9184 1.9184 1.9184 3.3640 3.3640 3.3640 3.3640 3.8009 3.8009 3.8009 3.8009 4.2019 4.2019 4.2019 4.2019 4.4262 4.4262 4.4262 4.4262 4.9318 4.9318 4.9318 4.9318 5.2240 5.2240 5.2240 5.2240 5.6735 5.6735 5.6735 5.6735 5.7694 5.7694 5.7694 5.7694 15.8176 15.8176 15.8176 15.8176 16.2420 16.2420 16.2420 16.2420 16.6359 16.6359 16.6359 16.6359 k = 0.1429 0.3248 0.1509 ( 4236 PWs) bands (ev): -13.2981 -13.2981 -13.2981 -13.2981 -12.7339 -12.7339 -12.7339 -12.7339 -10.5278 -10.5278 -10.5278 -10.5278 -10.4811 -10.4811 -10.4811 -10.4811 -1.7520 -1.7520 -1.7520 -1.7520 0.3554 0.3554 0.3554 0.3554 1.0473 1.0473 1.0473 1.0473 1.9232 1.9232 1.9232 1.9232 3.4129 3.4129 3.4129 3.4129 3.8570 3.8570 3.8570 3.8570 4.2392 4.2392 4.2392 4.2392 4.4574 4.4574 4.4574 4.4574 4.9503 4.9503 4.9503 4.9503 5.2488 5.2488 5.2488 5.2488 5.6687 5.6687 5.6687 5.6687 5.7611 5.7611 5.7611 5.7611 15.7645 15.7645 15.7645 15.7645 16.1943 16.1943 16.1943 16.1943 16.5707 16.5707 16.5707 16.5707 k = 0.1339 0.3248 0.1509 ( 4232 PWs) bands (ev): -13.3123 -13.3123 -13.3123 -13.3123 -12.7420 -12.7420 -12.7420 -12.7420 -10.5386 -10.5386 -10.5386 -10.5386 -10.4914 -10.4914 -10.4914 -10.4914 -1.7627 -1.7627 -1.7627 -1.7627 0.3579 0.3579 0.3579 0.3579 1.0570 1.0570 1.0570 1.0570 1.9271 1.9271 1.9271 1.9271 3.4613 3.4613 3.4613 3.4613 3.9114 3.9114 3.9114 3.9114 4.2730 4.2730 4.2730 4.2730 4.4874 4.4874 4.4874 4.4874 4.9718 4.9718 4.9718 4.9718 5.2742 5.2742 5.2742 5.2742 5.6636 5.6636 5.6636 5.6636 5.7520 5.7520 5.7520 5.7520 15.7118 15.7118 15.7118 15.7118 16.1469 16.1469 16.1469 16.1469 16.5067 16.5067 16.5067 16.5067 k = 0.1250 0.3248 0.1509 ( 4216 PWs) bands (ev): -13.3257 -13.3257 -13.3257 -13.3257 -12.7498 -12.7498 -12.7498 -12.7498 -10.5488 -10.5488 -10.5488 -10.5488 -10.5011 -10.5011 -10.5011 -10.5011 -1.7728 -1.7728 -1.7728 -1.7728 0.3590 0.3590 0.3590 0.3590 1.0667 1.0667 1.0667 1.0667 1.9301 1.9301 1.9301 1.9301 3.5091 3.5091 3.5091 3.5091 3.9635 3.9635 3.9635 3.9635 4.3029 4.3029 4.3029 4.3029 4.5162 4.5162 4.5162 4.5162 4.9962 4.9962 4.9962 4.9962 5.3002 5.3002 5.3002 5.3002 5.6581 5.6581 5.6581 5.6581 5.7421 5.7421 5.7421 5.7421 15.6599 15.6599 15.6599 15.6599 16.1002 16.1002 16.1002 16.1002 16.4444 16.4444 16.4444 16.4444 k = 0.1161 0.3248 0.1509 ( 4212 PWs) bands (ev): -13.3384 -13.3384 -13.3384 -13.3384 -12.7572 -12.7572 -12.7572 -12.7572 -10.5584 -10.5584 -10.5584 -10.5584 -10.5103 -10.5103 -10.5103 -10.5103 -1.7824 -1.7824 -1.7824 -1.7824 0.3590 0.3590 0.3590 0.3590 1.0761 1.0761 1.0761 1.0761 1.9323 1.9323 1.9323 1.9323 3.5559 3.5559 3.5559 3.5559 4.0130 4.0130 4.0130 4.0130 4.3288 4.3288 4.3288 4.3288 4.5437 4.5437 4.5437 4.5437 5.0233 5.0233 5.0233 5.0233 5.3264 5.3264 5.3264 5.3264 5.6523 5.6523 5.6523 5.6523 5.7312 5.7312 5.7312 5.7312 15.6092 15.6092 15.6092 15.6092 16.0546 16.0546 16.0546 16.0546 16.3840 16.3840 16.3840 16.3840 k = 0.1071 0.3248 0.1509 ( 4216 PWs) bands (ev): -13.3502 -13.3502 -13.3502 -13.3502 -12.7641 -12.7641 -12.7641 -12.7641 -10.5674 -10.5674 -10.5674 -10.5674 -10.5190 -10.5190 -10.5190 -10.5190 -1.7913 -1.7913 -1.7913 -1.7913 0.3582 0.3582 0.3582 0.3582 1.0851 1.0851 1.0851 1.0851 1.9340 1.9340 1.9340 1.9340 3.6013 3.6013 3.6013 3.6013 4.0595 4.0595 4.0595 4.0595 4.3507 4.3507 4.3507 4.3507 4.5701 4.5701 4.5701 4.5701 5.0530 5.0530 5.0530 5.0530 5.3525 5.3525 5.3525 5.3525 5.6462 5.6462 5.6462 5.6462 5.7194 5.7194 5.7194 5.7194 15.5601 15.5601 15.5601 15.5601 16.0105 16.0105 16.0105 16.0105 16.3261 16.3261 16.3261 16.3261 k = 0.0982 0.3248 0.1509 ( 4220 PWs) bands (ev): -13.3611 -13.3611 -13.3611 -13.3611 -12.7706 -12.7706 -12.7706 -12.7706 -10.5757 -10.5757 -10.5757 -10.5757 -10.5270 -10.5270 -10.5270 -10.5270 -1.7996 -1.7996 -1.7996 -1.7996 0.3567 0.3567 0.3567 0.3567 1.0938 1.0938 1.0938 1.0938 1.9351 1.9351 1.9351 1.9351 3.6451 3.6451 3.6451 3.6451 4.1028 4.1028 4.1028 4.1028 4.3689 4.3689 4.3689 4.3689 4.5953 4.5953 4.5953 4.5953 5.0847 5.0847 5.0847 5.0847 5.3782 5.3782 5.3782 5.3782 5.6398 5.6398 5.6398 5.6398 5.7067 5.7067 5.7067 5.7067 15.5132 15.5132 15.5132 15.5132 15.9682 15.9682 15.9682 15.9682 16.2710 16.2710 16.2710 16.2710 k = 0.0893 0.3248 0.1509 ( 4224 PWs) bands (ev): -13.3712 -13.3712 -13.3712 -13.3712 -12.7766 -12.7766 -12.7766 -12.7766 -10.5834 -10.5834 -10.5834 -10.5834 -10.5344 -10.5344 -10.5344 -10.5344 -1.8072 -1.8072 -1.8072 -1.8072 0.3548 0.3548 0.3548 0.3548 1.1018 1.1018 1.1018 1.1018 1.9358 1.9358 1.9358 1.9358 3.6869 3.6869 3.6869 3.6869 4.1425 4.1425 4.1425 4.1425 4.3837 4.3837 4.3837 4.3837 4.6194 4.6194 4.6194 4.6194 5.1180 5.1180 5.1180 5.1180 5.4032 5.4032 5.4032 5.4032 5.6333 5.6333 5.6333 5.6333 5.6929 5.6929 5.6929 5.6929 15.4688 15.4688 15.4688 15.4688 15.9282 15.9282 15.9282 15.9282 16.2191 16.2191 16.2191 16.2191 k = 0.0804 0.3248 0.1509 ( 4224 PWs) bands (ev): -13.3803 -13.3803 -13.3803 -13.3803 -12.7820 -12.7820 -12.7820 -12.7820 -10.5904 -10.5904 -10.5904 -10.5904 -10.5411 -10.5411 -10.5411 -10.5411 -1.8141 -1.8141 -1.8141 -1.8141 0.3526 0.3526 0.3526 0.3526 1.1093 1.1093 1.1093 1.1093 1.9361 1.9361 1.9361 1.9361 3.7263 3.7263 3.7263 3.7263 4.1783 4.1783 4.1783 4.1783 4.3953 4.3953 4.3953 4.3953 4.6424 4.6424 4.6424 4.6424 5.1524 5.1524 5.1524 5.1524 5.4271 5.4271 5.4271 5.4271 5.6267 5.6267 5.6267 5.6267 5.6781 5.6781 5.6781 5.6781 15.4273 15.4273 15.4273 15.4273 15.8908 15.8908 15.8908 15.8908 16.1709 16.1709 16.1709 16.1709 k = 0.0714 0.3248 0.1509 ( 4220 PWs) bands (ev): -13.3886 -13.3886 -13.3886 -13.3886 -12.7870 -12.7870 -12.7870 -12.7870 -10.5967 -10.5967 -10.5967 -10.5967 -10.5472 -10.5472 -10.5472 -10.5472 -1.8204 -1.8204 -1.8204 -1.8204 0.3503 0.3503 0.3503 0.3503 1.1161 1.1161 1.1161 1.1161 1.9362 1.9362 1.9362 1.9362 3.7629 3.7629 3.7629 3.7629 4.2102 4.2102 4.2102 4.2102 4.4043 4.4043 4.4043 4.4043 4.6641 4.6641 4.6641 4.6641 5.1873 5.1873 5.1873 5.1873 5.4496 5.4496 5.4496 5.4496 5.6201 5.6201 5.6201 5.6201 5.6624 5.6624 5.6624 5.6624 15.3891 15.3891 15.3891 15.3891 15.8564 15.8564 15.8564 15.8564 16.1267 16.1267 16.1267 16.1267 k = 0.0625 0.3248 0.1509 ( 4220 PWs) bands (ev): -13.3959 -13.3959 -13.3959 -13.3959 -12.7914 -12.7914 -12.7914 -12.7914 -10.6023 -10.6023 -10.6023 -10.6023 -10.5526 -10.5526 -10.5526 -10.5526 -1.8259 -1.8259 -1.8259 -1.8259 0.3480 0.3480 0.3480 0.3480 1.1222 1.1222 1.1222 1.1222 1.9362 1.9362 1.9362 1.9362 3.7965 3.7965 3.7965 3.7965 4.2381 4.2381 4.2381 4.2381 4.4109 4.4109 4.4109 4.4109 4.6844 4.6844 4.6844 4.6844 5.2223 5.2223 5.2223 5.2223 5.4705 5.4705 5.4705 5.4705 5.6135 5.6135 5.6135 5.6135 5.6458 5.6458 5.6458 5.6458 15.3546 15.3546 15.3546 15.3546 15.8252 15.8252 15.8252 15.8252 16.0868 16.0868 16.0868 16.0868 k = 0.0536 0.3248 0.1509 ( 4224 PWs) bands (ev): -13.4022 -13.4022 -13.4022 -13.4022 -12.7953 -12.7953 -12.7953 -12.7953 -10.6072 -10.6072 -10.6072 -10.6072 -10.5573 -10.5573 -10.5573 -10.5573 -1.8308 -1.8308 -1.8308 -1.8308 0.3458 0.3458 0.3458 0.3458 1.1275 1.1275 1.1275 1.1275 1.9360 1.9360 1.9360 1.9360 3.8267 3.8267 3.8267 3.8267 4.2619 4.2619 4.2619 4.2619 4.4157 4.4157 4.4157 4.4157 4.7030 4.7030 4.7030 4.7030 5.2566 5.2566 5.2566 5.2566 5.4894 5.4894 5.4894 5.4894 5.6070 5.6070 5.6070 5.6070 5.6283 5.6283 5.6283 5.6283 15.3240 15.3240 15.3240 15.3240 15.7976 15.7976 15.7976 15.7976 16.0516 16.0516 16.0516 16.0516 k = 0.0446 0.3248 0.1509 ( 4220 PWs) bands (ev): -13.4076 -13.4076 -13.4076 -13.4076 -12.7985 -12.7985 -12.7985 -12.7985 -10.6114 -10.6114 -10.6114 -10.6114 -10.5613 -10.5613 -10.5613 -10.5613 -1.8349 -1.8349 -1.8349 -1.8349 0.3438 0.3438 0.3438 0.3438 1.1321 1.1321 1.1321 1.1321 1.9358 1.9358 1.9358 1.9358 3.8530 3.8530 3.8530 3.8530 4.2818 4.2818 4.2818 4.2818 4.4189 4.4189 4.4189 4.4189 4.7196 4.7196 4.7196 4.7196 5.2899 5.2899 5.2899 5.2899 5.5060 5.5060 5.5060 5.5060 5.6002 5.6002 5.6002 5.6002 5.6108 5.6108 5.6108 5.6108 15.2976 15.2976 15.2976 15.2976 15.7738 15.7738 15.7738 15.7738 16.0213 16.0213 16.0213 16.0213 k = 0.0357 0.3248 0.1509 ( 4224 PWs) bands (ev): -13.4120 -13.4120 -13.4120 -13.4120 -12.8012 -12.8012 -12.8012 -12.8012 -10.6148 -10.6148 -10.6148 -10.6148 -10.5646 -10.5646 -10.5646 -10.5646 -1.8383 -1.8383 -1.8383 -1.8383 0.3420 0.3420 0.3420 0.3420 1.1358 1.1358 1.1358 1.1358 1.9355 1.9355 1.9355 1.9355 3.8751 3.8751 3.8751 3.8751 4.2978 4.2978 4.2978 4.2978 4.4210 4.4210 4.4210 4.4210 4.7339 4.7339 4.7339 4.7339 5.3214 5.3214 5.3214 5.3214 5.5202 5.5202 5.5202 5.5202 5.5889 5.5889 5.5889 5.5889 5.5979 5.5979 5.5979 5.5979 15.2756 15.2756 15.2756 15.2756 15.7539 15.7539 15.7539 15.7539 15.9962 15.9962 15.9962 15.9962 k = 0.0268 0.3248 0.1509 ( 4228 PWs) bands (ev): -13.4155 -13.4155 -13.4155 -13.4155 -12.8034 -12.8034 -12.8034 -12.8034 -10.6175 -10.6175 -10.6175 -10.6175 -10.5672 -10.5672 -10.5672 -10.5672 -1.8409 -1.8409 -1.8409 -1.8409 0.3406 0.3406 0.3406 0.3406 1.1387 1.1387 1.1387 1.1387 1.9353 1.9353 1.9353 1.9353 3.8927 3.8927 3.8927 3.8927 4.3100 4.3100 4.3100 4.3100 4.4222 4.4222 4.4222 4.4222 4.7454 4.7454 4.7454 4.7454 5.3502 5.3502 5.3502 5.3502 5.5313 5.5313 5.5313 5.5313 5.5720 5.5720 5.5720 5.5720 5.5918 5.5918 5.5918 5.5918 15.2583 15.2583 15.2583 15.2583 15.7383 15.7383 15.7383 15.7383 15.9764 15.9764 15.9764 15.9764 k = 0.0179 0.3248 0.1509 ( 4232 PWs) bands (ev): -13.4180 -13.4180 -13.4180 -13.4180 -12.8049 -12.8049 -12.8049 -12.8049 -10.6194 -10.6194 -10.6194 -10.6194 -10.5690 -10.5690 -10.5690 -10.5690 -1.8428 -1.8428 -1.8428 -1.8428 0.3396 0.3396 0.3396 0.3396 1.1408 1.1408 1.1408 1.1408 1.9351 1.9351 1.9351 1.9351 3.9056 3.9056 3.9056 3.9056 4.3187 4.3187 4.3187 4.3187 4.4228 4.4228 4.4228 4.4228 4.7539 4.7539 4.7539 4.7539 5.3749 5.3749 5.3749 5.3749 5.5376 5.5376 5.5376 5.5376 5.5579 5.5579 5.5579 5.5579 5.5873 5.5873 5.5873 5.5873 15.2459 15.2459 15.2459 15.2459 15.7271 15.7271 15.7271 15.7271 15.9621 15.9621 15.9621 15.9621 k = 0.0089 0.3248 0.1509 ( 4232 PWs) bands (ev): -13.4195 -13.4195 -13.4195 -13.4195 -12.8058 -12.8058 -12.8058 -12.8058 -10.6205 -10.6205 -10.6205 -10.6205 -10.5701 -10.5701 -10.5701 -10.5701 -1.8440 -1.8440 -1.8440 -1.8440 0.3389 0.3389 0.3389 0.3389 1.1421 1.1421 1.1421 1.1421 1.9350 1.9350 1.9350 1.9350 3.9134 3.9134 3.9134 3.9134 4.3239 4.3239 4.3239 4.3239 4.4231 4.4231 4.4231 4.4231 4.7591 4.7591 4.7591 4.7591 5.3925 5.3925 5.3925 5.3925 5.5345 5.5345 5.5345 5.5345 5.5540 5.5540 5.5540 5.5540 5.5841 5.5841 5.5841 5.5841 15.2384 15.2384 15.2384 15.2384 15.7203 15.7203 15.7203 15.7203 15.9536 15.9536 15.9536 15.9536 k = 0.0000 0.3248 0.1509 ( 4228 PWs) bands (ev): -13.4200 -13.4200 -13.4200 -13.4200 -12.8061 -12.8061 -12.8061 -12.8061 -10.6209 -10.6209 -10.6209 -10.6209 -10.5705 -10.5705 -10.5705 -10.5705 -1.8443 -1.8443 -1.8443 -1.8443 0.3387 0.3387 0.3387 0.3387 1.1425 1.1425 1.1425 1.1425 1.9350 1.9350 1.9350 1.9350 3.9160 3.9160 3.9160 3.9160 4.3256 4.3256 4.3256 4.3256 4.4232 4.4232 4.4232 4.4232 4.7609 4.7609 4.7609 4.7609 5.3992 5.3992 5.3992 5.3992 5.5309 5.5309 5.5309 5.5309 5.5546 5.5546 5.5546 5.5546 5.5829 5.5829 5.5829 5.5829 15.2358 15.2358 15.2358 15.2358 15.7180 15.7180 15.7180 15.7180 15.9507 15.9507 15.9507 15.9507 k = 0.0000 0.3248 0.1509 ( 4228 PWs) bands (ev): -13.4200 -13.4200 -13.4200 -13.4200 -12.8061 -12.8061 -12.8061 -12.8061 -10.6209 -10.6209 -10.6209 -10.6209 -10.5705 -10.5705 -10.5705 -10.5705 -1.8443 -1.8443 -1.8443 -1.8443 0.3387 0.3387 0.3387 0.3387 1.1425 1.1425 1.1425 1.1425 1.9350 1.9350 1.9350 1.9350 3.9160 3.9160 3.9160 3.9160 4.3256 4.3256 4.3256 4.3256 4.4232 4.4232 4.4232 4.4232 4.7609 4.7609 4.7609 4.7609 5.3992 5.3992 5.3992 5.3992 5.5309 5.5309 5.5309 5.5309 5.5546 5.5546 5.5546 5.5546 5.5829 5.5829 5.5829 5.5829 15.2358 15.2358 15.2358 15.2358 15.7180 15.7180 15.7180 15.7180 15.9507 15.9507 15.9507 15.9507 k = 0.0000 0.3160 0.1509 ( 4232 PWs) bands (ev): -13.4212 -13.4212 -13.4212 -13.4212 -12.8052 -12.8052 -12.8052 -12.8052 -10.6269 -10.6269 -10.6269 -10.6269 -10.5637 -10.5637 -10.5637 -10.5637 -1.8449 -1.8449 -1.8449 -1.8449 0.3396 0.3396 0.3396 0.3396 1.1370 1.1370 1.1370 1.1370 1.9405 1.9405 1.9405 1.9405 3.9154 3.9154 3.9154 3.9154 4.3197 4.3197 4.3197 4.3197 4.4259 4.4259 4.4259 4.4259 4.7613 4.7613 4.7613 4.7613 5.3982 5.3982 5.3982 5.3982 5.5295 5.5295 5.5295 5.5295 5.5555 5.5555 5.5555 5.5555 5.5862 5.5862 5.5862 5.5862 15.2285 15.2285 15.2285 15.2285 15.7175 15.7175 15.7175 15.7175 15.9543 15.9543 15.9543 15.9543 k = 0.0000 0.3072 0.1509 ( 4224 PWs) bands (ev): -13.4248 -13.4248 -13.4248 -13.4248 -12.8026 -12.8026 -12.8026 -12.8026 -10.6395 -10.6395 -10.6395 -10.6395 -10.5482 -10.5482 -10.5482 -10.5482 -1.8465 -1.8465 -1.8465 -1.8465 0.3424 0.3424 0.3424 0.3424 1.1213 1.1213 1.1213 1.1213 1.9566 1.9566 1.9566 1.9566 3.9138 3.9138 3.9138 3.9138 4.3039 4.3039 4.3039 4.3039 4.4322 4.4322 4.4322 4.4322 4.7625 4.7625 4.7625 4.7625 5.3951 5.3951 5.3951 5.3951 5.5257 5.5257 5.5257 5.5257 5.5586 5.5586 5.5586 5.5586 5.5954 5.5954 5.5954 5.5954 15.2073 15.2073 15.2073 15.2073 15.7159 15.7159 15.7159 15.7159 15.9650 15.9650 15.9650 15.9650 k = 0.0000 0.2984 0.1509 ( 4230 PWs) bands (ev): -13.4307 -13.4307 -13.4307 -13.4307 -12.7984 -12.7984 -12.7984 -12.7984 -10.6539 -10.6539 -10.6539 -10.6539 -10.5293 -10.5293 -10.5293 -10.5293 -1.8492 -1.8492 -1.8492 -1.8492 0.3469 0.3469 0.3469 0.3469 1.0967 1.0967 1.0967 1.0967 1.9818 1.9818 1.9818 1.9818 3.9111 3.9111 3.9111 3.9111 4.2813 4.2813 4.2813 4.2813 4.4391 4.4391 4.4391 4.4391 4.7644 4.7644 4.7644 4.7644 5.3902 5.3902 5.3902 5.3902 5.5201 5.5201 5.5201 5.5201 5.5642 5.5642 5.5642 5.5642 5.6089 5.6089 5.6089 5.6089 15.1740 15.1740 15.1740 15.1740 15.7127 15.7127 15.7127 15.7127 15.9826 15.9826 15.9826 15.9826 k = 0.0000 0.2897 0.1509 ( 4232 PWs) bands (ev): -13.4388 -13.4388 -13.4388 -13.4388 -12.7926 -12.7926 -12.7926 -12.7926 -10.6682 -10.6682 -10.6682 -10.6682 -10.5086 -10.5086 -10.5086 -10.5086 -1.8530 -1.8530 -1.8530 -1.8530 0.3529 0.3529 0.3529 0.3529 1.0653 1.0653 1.0653 1.0653 2.0140 2.0140 2.0140 2.0140 3.9074 3.9074 3.9074 3.9074 4.2543 4.2543 4.2543 4.2543 4.4448 4.4448 4.4448 4.4448 4.7671 4.7671 4.7671 4.7671 5.3841 5.3841 5.3841 5.3841 5.5134 5.5134 5.5134 5.5134 5.5719 5.5719 5.5719 5.5719 5.6260 5.6260 5.6260 5.6260 15.1311 15.1311 15.1311 15.1311 15.7083 15.7083 15.7083 15.7083 16.0061 16.0061 16.0061 16.0061 k = 0.0000 0.2809 0.1509 ( 4228 PWs) bands (ev): -13.4488 -13.4488 -13.4488 -13.4488 -12.7856 -12.7856 -12.7856 -12.7856 -10.6820 -10.6820 -10.6820 -10.6820 -10.4867 -10.4867 -10.4867 -10.4867 -1.8579 -1.8579 -1.8579 -1.8579 0.3603 0.3603 0.3603 0.3603 1.0293 1.0293 1.0293 1.0293 2.0513 2.0513 2.0513 2.0513 3.9027 3.9027 3.9027 3.9027 4.2242 4.2242 4.2242 4.2242 4.4485 4.4485 4.4485 4.4485 4.7705 4.7705 4.7705 4.7705 5.3771 5.3771 5.3771 5.3771 5.5057 5.5057 5.5057 5.5057 5.5812 5.5812 5.5812 5.5812 5.6462 5.6462 5.6462 5.6462 15.0807 15.0807 15.0807 15.0807 15.7033 15.7033 15.7033 15.7033 16.0340 16.0340 16.0340 16.0340 k = 0.0000 0.2721 0.1509 ( 4238 PWs) bands (ev): -13.4605 -13.4605 -13.4605 -13.4605 -12.7775 -12.7775 -12.7775 -12.7775 -10.6949 -10.6949 -10.6949 -10.6949 -10.4639 -10.4639 -10.4639 -10.4639 -1.8639 -1.8639 -1.8639 -1.8639 0.3688 0.3688 0.3688 0.3688 0.9906 0.9906 0.9906 0.9906 2.0916 2.0916 2.0916 2.0916 3.8971 3.8971 3.8971 3.8971 4.1920 4.1920 4.1920 4.1920 4.4496 4.4496 4.4496 4.4496 4.7744 4.7744 4.7744 4.7744 5.3696 5.3696 5.3696 5.3696 5.4971 5.4971 5.4971 5.4971 5.5918 5.5918 5.5918 5.5918 5.6691 5.6691 5.6691 5.6691 15.0246 15.0246 15.0246 15.0246 15.6986 15.6986 15.6986 15.6986 16.0647 16.0647 16.0647 16.0647 k = 0.0000 0.2633 0.1509 ( 4240 PWs) bands (ev): -13.4738 -13.4738 -13.4738 -13.4738 -12.7686 -12.7686 -12.7686 -12.7686 -10.7068 -10.7068 -10.7068 -10.7068 -10.4403 -10.4403 -10.4403 -10.4403 -1.8710 -1.8710 -1.8710 -1.8710 0.3779 0.3779 0.3779 0.3779 0.9511 0.9511 0.9511 0.9511 2.1335 2.1335 2.1335 2.1335 3.8907 3.8907 3.8907 3.8907 4.1584 4.1584 4.1584 4.1584 4.4483 4.4483 4.4483 4.4483 4.7789 4.7789 4.7789 4.7789 5.3618 5.3618 5.3618 5.3618 5.4876 5.4876 5.4876 5.4876 5.6034 5.6034 5.6034 5.6034 5.6945 5.6945 5.6945 5.6945 14.9643 14.9643 14.9643 14.9643 15.6951 15.6951 15.6951 15.6951 16.0968 16.0968 16.0968 16.0968 k = 0.0000 0.2545 0.1509 ( 4242 PWs) bands (ev): -13.4883 -13.4883 -13.4883 -13.4883 -12.7589 -12.7589 -12.7589 -12.7589 -10.7178 -10.7178 -10.7178 -10.7178 -10.4162 -10.4162 -10.4162 -10.4162 -1.8792 -1.8792 -1.8792 -1.8792 0.3870 0.3870 0.3870 0.3870 0.9124 0.9124 0.9124 0.9124 2.1756 2.1756 2.1756 2.1756 3.8836 3.8836 3.8836 3.8836 4.1241 4.1241 4.1241 4.1241 4.4447 4.4447 4.4447 4.4447 4.7837 4.7837 4.7837 4.7837 5.3540 5.3540 5.3540 5.3540 5.4772 5.4772 5.4772 5.4772 5.6155 5.6155 5.6155 5.6155 5.7221 5.7221 5.7221 5.7221 14.9008 14.9008 14.9008 14.9008 15.6935 15.6935 15.6935 15.6935 16.1291 16.1291 16.1291 16.1291 k = 0.0000 0.2458 0.1509 ( 4238 PWs) bands (ev): -13.5038 -13.5038 -13.5038 -13.5038 -12.7489 -12.7489 -12.7489 -12.7489 -10.7277 -10.7277 -10.7277 -10.7277 -10.3916 -10.3916 -10.3916 -10.3916 -1.8885 -1.8885 -1.8885 -1.8885 0.3953 0.3953 0.3953 0.3953 0.8761 0.8761 0.8761 0.8761 2.2167 2.2167 2.2167 2.2167 3.8757 3.8757 3.8757 3.8757 4.0895 4.0895 4.0895 4.0895 4.4390 4.4390 4.4390 4.4390 4.7888 4.7888 4.7888 4.7888 5.3463 5.3463 5.3463 5.3463 5.4660 5.4660 5.4660 5.4660 5.6282 5.6282 5.6282 5.6282 5.7514 5.7514 5.7514 5.7514 14.8350 14.8350 14.8350 14.8350 15.6940 15.6940 15.6940 15.6940 16.1609 16.1609 16.1609 16.1609 k = 0.0000 0.2370 0.1509 ( 4238 PWs) bands (ev): -13.5202 -13.5202 -13.5202 -13.5202 -12.7386 -12.7386 -12.7386 -12.7386 -10.7365 -10.7365 -10.7365 -10.7365 -10.3666 -10.3666 -10.3666 -10.3666 -1.8989 -1.8989 -1.8989 -1.8989 0.4021 0.4021 0.4021 0.4021 0.8437 0.8437 0.8437 0.8437 2.2558 2.2558 2.2558 2.2558 3.8673 3.8673 3.8673 3.8673 4.0552 4.0552 4.0552 4.0552 4.4314 4.4314 4.4314 4.4314 4.7942 4.7942 4.7942 4.7942 5.3389 5.3389 5.3389 5.3389 5.4539 5.4539 5.4539 5.4539 5.6412 5.6412 5.6412 5.6412 5.7822 5.7822 5.7822 5.7822 14.7675 14.7675 14.7675 14.7675 15.6972 15.6972 15.6972 15.6972 16.1914 16.1914 16.1914 16.1914 k = 0.0000 0.2282 0.1509 ( 4248 PWs) bands (ev): -13.5372 -13.5372 -13.5372 -13.5372 -12.7282 -12.7282 -12.7282 -12.7282 -10.7443 -10.7443 -10.7443 -10.7443 -10.3412 -10.3412 -10.3412 -10.3412 -1.9104 -1.9104 -1.9104 -1.9104 0.4061 0.4061 0.4061 0.4061 0.8168 0.8168 0.8168 0.8168 2.2922 2.2922 2.2922 2.2922 3.8584 3.8584 3.8584 3.8584 4.0217 4.0217 4.0217 4.0217 4.4223 4.4223 4.4223 4.4223 4.7996 4.7996 4.7996 4.7996 5.3319 5.3319 5.3319 5.3319 5.4411 5.4411 5.4411 5.4411 5.6544 5.6544 5.6544 5.6544 5.8142 5.8142 5.8142 5.8142 14.6990 14.6990 14.6990 14.6990 15.7029 15.7029 15.7029 15.7029 16.2202 16.2202 16.2202 16.2202 k = 0.0000 0.2194 0.1509 ( 4252 PWs) bands (ev): -13.5546 -13.5546 -13.5546 -13.5546 -12.7180 -12.7180 -12.7180 -12.7180 -10.7511 -10.7511 -10.7511 -10.7511 -10.3156 -10.3156 -10.3156 -10.3156 -1.9230 -1.9230 -1.9230 -1.9230 0.4063 0.4063 0.4063 0.4063 0.7967 0.7967 0.7967 0.7967 2.3251 2.3251 2.3251 2.3251 3.8491 3.8491 3.8491 3.8491 3.9893 3.9893 3.9893 3.9893 4.4120 4.4120 4.4120 4.4120 4.8051 4.8051 4.8051 4.8051 5.3254 5.3254 5.3254 5.3254 5.4277 5.4277 5.4277 5.4277 5.6677 5.6677 5.6677 5.6677 5.8470 5.8470 5.8470 5.8470 14.6299 14.6299 14.6299 14.6299 15.7114 15.7114 15.7114 15.7114 16.2470 16.2470 16.2470 16.2470 k = 0.0000 0.2107 0.1509 ( 4242 PWs) bands (ev): -13.5723 -13.5723 -13.5723 -13.5723 -12.7079 -12.7079 -12.7079 -12.7079 -10.7568 -10.7568 -10.7568 -10.7568 -10.2899 -10.2899 -10.2899 -10.2899 -1.9367 -1.9367 -1.9367 -1.9367 0.4021 0.4021 0.4021 0.4021 0.7844 0.7844 0.7844 0.7844 2.3541 2.3541 2.3541 2.3541 3.8395 3.8395 3.8395 3.8395 3.9583 3.9583 3.9583 3.9583 4.4010 4.4010 4.4010 4.4010 4.8105 4.8105 4.8105 4.8105 5.3194 5.3194 5.3194 5.3194 5.4138 5.4138 5.4138 5.4138 5.6810 5.6810 5.6810 5.6810 5.8803 5.8803 5.8803 5.8803 14.5605 14.5605 14.5605 14.5605 15.7224 15.7224 15.7224 15.7224 16.2714 16.2714 16.2714 16.2714 k = 0.0000 0.2019 0.1509 ( 4242 PWs) bands (ev): -13.5901 -13.5901 -13.5901 -13.5901 -12.6981 -12.6981 -12.6981 -12.6981 -10.7616 -10.7616 -10.7616 -10.7616 -10.2641 -10.2641 -10.2641 -10.2641 -1.9514 -1.9514 -1.9514 -1.9514 0.3935 0.3935 0.3935 0.3935 0.7800 0.7800 0.7800 0.7800 2.3786 2.3786 2.3786 2.3786 3.8297 3.8297 3.8297 3.8297 3.9290 3.9290 3.9290 3.9290 4.3896 4.3896 4.3896 4.3896 4.8156 4.8156 4.8156 4.8156 5.3140 5.3140 5.3140 5.3140 5.3995 5.3995 5.3995 5.3995 5.6943 5.6943 5.6943 5.6943 5.9140 5.9140 5.9140 5.9140 14.4913 14.4913 14.4913 14.4913 15.7359 15.7359 15.7359 15.7359 16.2935 16.2935 16.2935 16.2935 k = 0.0000 0.1931 0.1509 ( 4238 PWs) bands (ev): -13.6079 -13.6079 -13.6079 -13.6079 -12.6887 -12.6887 -12.6887 -12.6887 -10.7655 -10.7655 -10.7655 -10.7655 -10.2383 -10.2383 -10.2383 -10.2383 -1.9672 -1.9672 -1.9672 -1.9672 0.3810 0.3810 0.3810 0.3810 0.7829 0.7829 0.7829 0.7829 2.3985 2.3985 2.3985 2.3985 3.8196 3.8196 3.8196 3.8196 3.9012 3.9012 3.9012 3.9012 4.3781 4.3781 4.3781 4.3781 4.8206 4.8206 4.8206 4.8206 5.3092 5.3092 5.3092 5.3092 5.3850 5.3850 5.3850 5.3850 5.7075 5.7075 5.7075 5.7075 5.9477 5.9477 5.9477 5.9477 14.4226 14.4226 14.4226 14.4226 15.7516 15.7516 15.7516 15.7516 16.3132 16.3132 16.3132 16.3132 k = 0.0000 0.1843 0.1509 ( 4234 PWs) bands (ev): -13.6255 -13.6255 -13.6255 -13.6255 -12.6797 -12.6797 -12.6797 -12.6797 -10.7684 -10.7684 -10.7684 -10.7684 -10.2127 -10.2127 -10.2127 -10.2127 -1.9838 -1.9838 -1.9838 -1.9838 0.3659 0.3659 0.3659 0.3659 0.7919 0.7919 0.7919 0.7919 2.4136 2.4136 2.4136 2.4136 3.8095 3.8095 3.8095 3.8095 3.8751 3.8751 3.8751 3.8751 4.3671 4.3671 4.3671 4.3671 4.8252 4.8252 4.8252 4.8252 5.3051 5.3051 5.3051 5.3051 5.3704 5.3704 5.3704 5.3704 5.7205 5.7205 5.7205 5.7205 5.9813 5.9813 5.9813 5.9813 14.3546 14.3546 14.3546 14.3546 15.7692 15.7692 15.7692 15.7692 16.3305 16.3305 16.3305 16.3305 k = 0.0000 0.1756 0.1509 ( 4232 PWs) bands (ev): -13.6429 -13.6429 -13.6429 -13.6429 -12.6713 -12.6713 -12.6713 -12.6713 -10.7706 -10.7706 -10.7706 -10.7706 -10.1873 -10.1873 -10.1873 -10.1873 -2.0013 -2.0013 -2.0013 -2.0013 0.3494 0.3494 0.3494 0.3494 0.8056 0.8056 0.8056 0.8056 2.4240 2.4240 2.4240 2.4240 3.7993 3.7993 3.7993 3.7993 3.8503 3.8503 3.8503 3.8503 4.3569 4.3569 4.3569 4.3569 4.8294 4.8294 4.8294 4.8294 5.3016 5.3016 5.3016 5.3016 5.3560 5.3560 5.3560 5.3560 5.7332 5.7332 5.7332 5.7332 6.0145 6.0145 6.0145 6.0145 14.2878 14.2878 14.2878 14.2878 15.7884 15.7884 15.7884 15.7884 16.3456 16.3456 16.3456 16.3456 k = 0.0000 0.1668 0.1509 ( 4234 PWs) bands (ev): -13.6599 -13.6599 -13.6599 -13.6599 -12.6634 -12.6634 -12.6634 -12.6634 -10.7720 -10.7720 -10.7720 -10.7720 -10.1622 -10.1622 -10.1622 -10.1622 -2.0195 -2.0195 -2.0195 -2.0195 0.3327 0.3327 0.3327 0.3327 0.8227 0.8227 0.8227 0.8227 2.4300 2.4300 2.4300 2.4300 3.7890 3.7890 3.7890 3.7890 3.8267 3.8267 3.8267 3.8267 4.3478 4.3478 4.3478 4.3478 4.8333 4.8333 4.8333 4.8333 5.2987 5.2987 5.2987 5.2987 5.3419 5.3419 5.3419 5.3419 5.7457 5.7457 5.7457 5.7457 6.0471 6.0471 6.0471 6.0471 14.2222 14.2222 14.2222 14.2222 15.8086 15.8086 15.8086 15.8086 16.3586 16.3586 16.3586 16.3586 k = 0.0000 0.1580 0.1509 ( 4230 PWs) bands (ev): -13.6765 -13.6765 -13.6765 -13.6765 -12.6560 -12.6560 -12.6560 -12.6560 -10.7727 -10.7727 -10.7727 -10.7727 -10.1376 -10.1376 -10.1376 -10.1376 -2.0384 -2.0384 -2.0384 -2.0384 0.3168 0.3168 0.3168 0.3168 0.8420 0.8420 0.8420 0.8420 2.4321 2.4321 2.4321 2.4321 3.7784 3.7784 3.7784 3.7784 3.8041 3.8041 3.8041 3.8041 4.3402 4.3402 4.3402 4.3402 4.8367 4.8367 4.8367 4.8367 5.2965 5.2965 5.2965 5.2965 5.3283 5.3283 5.3283 5.3283 5.7578 5.7578 5.7578 5.7578 6.0791 6.0791 6.0791 6.0791 14.1581 14.1581 14.1581 14.1581 15.8296 15.8296 15.8296 15.8296 16.3699 16.3699 16.3699 16.3699 k = 0.0000 0.1492 0.1509 ( 4234 PWs) bands (ev): -13.6926 -13.6926 -13.6926 -13.6926 -12.6493 -12.6493 -12.6493 -12.6493 -10.7727 -10.7727 -10.7727 -10.7727 -10.1135 -10.1135 -10.1135 -10.1135 -2.0578 -2.0578 -2.0578 -2.0578 0.3022 0.3022 0.3022 0.3022 0.8625 0.8625 0.8625 0.8625 2.4308 2.4308 2.4308 2.4308 3.7665 3.7665 3.7665 3.7665 3.7832 3.7832 3.7832 3.7832 4.3343 4.3343 4.3343 4.3343 4.8397 4.8397 4.8397 4.8397 5.2947 5.2947 5.2947 5.2947 5.3154 5.3154 5.3154 5.3154 5.7696 5.7696 5.7696 5.7696 6.1102 6.1102 6.1102 6.1102 14.0959 14.0959 14.0959 14.0959 15.8508 15.8508 15.8508 15.8508 16.3798 16.3798 16.3798 16.3798 k = 0.0000 0.1404 0.1509 ( 4234 PWs) bands (ev): -13.7081 -13.7081 -13.7081 -13.7081 -12.6431 -12.6431 -12.6431 -12.6431 -10.7723 -10.7723 -10.7723 -10.7723 -10.0900 -10.0900 -10.0900 -10.0900 -2.0775 -2.0775 -2.0775 -2.0775 0.2894 0.2894 0.2894 0.2894 0.8835 0.8835 0.8835 0.8835 2.4268 2.4268 2.4268 2.4268 3.7500 3.7500 3.7500 3.7500 3.7670 3.7670 3.7670 3.7670 4.3301 4.3301 4.3301 4.3301 4.8422 4.8422 4.8422 4.8422 5.2930 5.2930 5.2930 5.2930 5.3038 5.3038 5.3038 5.3038 5.7810 5.7810 5.7810 5.7810 6.1403 6.1403 6.1403 6.1403 14.0357 14.0357 14.0357 14.0357 15.8716 15.8716 15.8716 15.8716 16.3887 16.3887 16.3887 16.3887 k = 0.0000 0.1317 0.1509 ( 4236 PWs) bands (ev): -13.7229 -13.7229 -13.7229 -13.7229 -12.6375 -12.6375 -12.6375 -12.6375 -10.7714 -10.7714 -10.7714 -10.7714 -10.0673 -10.0673 -10.0673 -10.0673 -2.0974 -2.0974 -2.0974 -2.0974 0.2787 0.2787 0.2787 0.2787 0.9041 0.9041 0.9041 0.9041 2.4208 2.4208 2.4208 2.4208 3.7282 3.7282 3.7282 3.7282 3.7557 3.7557 3.7557 3.7557 4.3277 4.3277 4.3277 4.3277 4.8443 4.8443 4.8443 4.8443 5.2886 5.2886 5.2886 5.2886 5.2962 5.2962 5.2962 5.2962 5.7918 5.7918 5.7918 5.7918 6.1692 6.1692 6.1692 6.1692 13.9778 13.9778 13.9778 13.9778 15.8916 15.8916 15.8916 15.8916 16.3969 16.3969 16.3969 16.3969 k = 0.0000 0.1229 0.1509 ( 4234 PWs) bands (ev): -13.7371 -13.7371 -13.7371 -13.7371 -12.6324 -12.6324 -12.6324 -12.6324 -10.7701 -10.7701 -10.7701 -10.7701 -10.0454 -10.0454 -10.0454 -10.0454 -2.1173 -2.1173 -2.1173 -2.1173 0.2702 0.2702 0.2702 0.2702 0.9239 0.9239 0.9239 0.9239 2.4136 2.4136 2.4136 2.4136 3.7042 3.7042 3.7042 3.7042 3.7463 3.7463 3.7463 3.7463 4.3270 4.3270 4.3270 4.3270 4.8461 4.8461 4.8461 4.8461 5.2798 5.2798 5.2798 5.2798 5.2945 5.2945 5.2945 5.2945 5.8022 5.8022 5.8022 5.8022 6.1969 6.1969 6.1969 6.1969 13.9224 13.9224 13.9224 13.9224 15.9102 15.9102 15.9102 15.9102 16.4047 16.4047 16.4047 16.4047 k = 0.0000 0.1141 0.1509 ( 4228 PWs) bands (ev): -13.7504 -13.7504 -13.7504 -13.7504 -12.6278 -12.6278 -12.6278 -12.6278 -10.7685 -10.7685 -10.7685 -10.7685 -10.0244 -10.0244 -10.0244 -10.0244 -2.1370 -2.1370 -2.1370 -2.1370 0.2641 0.2641 0.2641 0.2641 0.9422 0.9422 0.9422 0.9422 2.4060 2.4060 2.4060 2.4060 3.6789 3.6789 3.6789 3.6789 3.7377 3.7377 3.7377 3.7377 4.3278 4.3278 4.3278 4.3278 4.8474 4.8474 4.8474 4.8474 5.2709 5.2709 5.2709 5.2709 5.2945 5.2945 5.2945 5.2945 5.8121 5.8121 5.8121 5.8121 6.2232 6.2232 6.2232 6.2232 13.8697 13.8697 13.8697 13.8697 15.9271 15.9271 15.9271 15.9271 16.4126 16.4126 16.4126 16.4126 k = 0.0000 0.1053 0.1509 ( 4230 PWs) bands (ev): -13.7629 -13.7629 -13.7629 -13.7629 -12.6238 -12.6238 -12.6238 -12.6238 -10.7667 -10.7667 -10.7667 -10.7667 -10.0045 -10.0045 -10.0045 -10.0045 -2.1563 -2.1563 -2.1563 -2.1563 0.2600 0.2600 0.2600 0.2600 0.9588 0.9588 0.9588 0.9588 2.3985 2.3985 2.3985 2.3985 3.6527 3.6527 3.6527 3.6527 3.7298 3.7298 3.7298 3.7298 4.3297 4.3297 4.3297 4.3297 4.8484 4.8484 4.8484 4.8484 5.2629 5.2629 5.2629 5.2629 5.2949 5.2949 5.2949 5.2949 5.8213 5.8213 5.8213 5.8213 6.2480 6.2480 6.2480 6.2480 13.8200 13.8200 13.8200 13.8200 15.9418 15.9418 15.9418 15.9418 16.4206 16.4206 16.4206 16.4206 k = 0.0000 0.0966 0.1509 ( 4220 PWs) bands (ev): -13.7746 -13.7746 -13.7746 -13.7746 -12.6202 -12.6202 -12.6202 -12.6202 -10.7647 -10.7647 -10.7647 -10.7647 -9.9858 -9.9858 -9.9858 -9.9858 -2.1751 -2.1751 -2.1751 -2.1751 0.2581 0.2581 0.2581 0.2581 0.9734 0.9734 0.9734 0.9734 2.3918 2.3918 2.3918 2.3918 3.6259 3.6259 3.6259 3.6259 3.7225 3.7225 3.7225 3.7225 4.3325 4.3325 4.3325 4.3325 4.8492 4.8492 4.8492 4.8492 5.2561 5.2561 5.2561 5.2561 5.2957 5.2957 5.2957 5.2957 5.8300 5.8300 5.8300 5.8300 6.2713 6.2713 6.2713 6.2713 13.7734 13.7734 13.7734 13.7734 15.9543 15.9543 15.9543 15.9543 16.4288 16.4288 16.4288 16.4288 k = 0.0000 0.0878 0.1509 ( 4216 PWs) bands (ev): -13.7854 -13.7854 -13.7854 -13.7854 -12.6170 -12.6170 -12.6170 -12.6170 -10.7626 -10.7626 -10.7626 -10.7626 -9.9683 -9.9683 -9.9683 -9.9683 -2.1930 -2.1930 -2.1930 -2.1930 0.2580 0.2580 0.2580 0.2580 0.9856 0.9856 0.9856 0.9856 2.3863 2.3863 2.3863 2.3863 3.5987 3.5987 3.5987 3.5987 3.7158 3.7158 3.7158 3.7158 4.3359 4.3359 4.3359 4.3359 4.8497 4.8497 4.8497 4.8497 5.2503 5.2503 5.2503 5.2503 5.2967 5.2967 5.2967 5.2967 5.8380 5.8380 5.8380 5.8380 6.2928 6.2928 6.2928 6.2928 13.7301 13.7301 13.7301 13.7301 15.9644 15.9644 15.9644 15.9644 16.4373 16.4373 16.4373 16.4373 k = 0.0000 0.0790 0.1509 ( 4216 PWs) bands (ev): -13.7952 -13.7952 -13.7952 -13.7952 -12.6143 -12.6143 -12.6143 -12.6143 -10.7606 -10.7606 -10.7606 -10.7606 -9.9522 -9.9522 -9.9522 -9.9522 -2.2098 -2.2098 -2.2098 -2.2098 0.2595 0.2595 0.2595 0.2595 0.9954 0.9954 0.9954 0.9954 2.3823 2.3823 2.3823 2.3823 3.5718 3.5718 3.5718 3.5718 3.7096 3.7096 3.7096 3.7096 4.3397 4.3397 4.3397 4.3397 4.8500 4.8500 4.8500 4.8500 5.2456 5.2456 5.2456 5.2456 5.2978 5.2978 5.2978 5.2978 5.8454 5.8454 5.8454 5.8454 6.3126 6.3126 6.3126 6.3126 13.6903 13.6903 13.6903 13.6903 15.9723 15.9723 15.9723 15.9723 16.4459 16.4459 16.4459 16.4459 k = 0.0000 0.0702 0.1509 ( 4224 PWs) bands (ev): -13.8041 -13.8041 -13.8041 -13.8041 -12.6120 -12.6120 -12.6120 -12.6120 -10.7585 -10.7585 -10.7585 -10.7585 -9.9374 -9.9374 -9.9374 -9.9374 -2.2256 -2.2256 -2.2256 -2.2256 0.2622 0.2622 0.2622 0.2622 1.0030 1.0030 1.0030 1.0030 2.3799 2.3799 2.3799 2.3799 3.5454 3.5454 3.5454 3.5454 3.7040 3.7040 3.7040 3.7040 4.3435 4.3435 4.3435 4.3435 4.8501 4.8501 4.8501 4.8501 5.2418 5.2418 5.2418 5.2418 5.2990 5.2990 5.2990 5.2990 5.8520 5.8520 5.8520 5.8520 6.3306 6.3306 6.3306 6.3306 13.6542 13.6542 13.6542 13.6542 15.9781 15.9781 15.9781 15.9781 16.4544 16.4544 16.4544 16.4544 k = 0.0000 0.0614 0.1509 ( 4222 PWs) bands (ev): -13.8120 -13.8120 -13.8120 -13.8120 -12.6099 -12.6099 -12.6099 -12.6099 -10.7566 -10.7566 -10.7566 -10.7566 -9.9242 -9.9242 -9.9242 -9.9242 -2.2399 -2.2399 -2.2399 -2.2399 0.2659 0.2659 0.2659 0.2659 1.0083 1.0083 1.0083 1.0083 2.3791 2.3791 2.3791 2.3791 3.5201 3.5201 3.5201 3.5201 3.6990 3.6990 3.6990 3.6990 4.3472 4.3472 4.3472 4.3472 4.8501 4.8501 4.8501 4.8501 5.2390 5.2390 5.2390 5.2390 5.3002 5.3002 5.3002 5.3002 5.8579 5.8579 5.8579 5.8579 6.3466 6.3466 6.3466 6.3466 13.6220 13.6220 13.6220 13.6220 15.9822 15.9822 15.9822 15.9822 16.4625 16.4625 16.4625 16.4625 k = 0.0000 0.0527 0.1509 ( 4218 PWs) bands (ev): -13.8189 -13.8189 -13.8189 -13.8189 -12.6083 -12.6083 -12.6083 -12.6083 -10.7548 -10.7548 -10.7548 -10.7548 -9.9126 -9.9126 -9.9126 -9.9126 -2.2527 -2.2527 -2.2527 -2.2527 0.2702 0.2702 0.2702 0.2702 1.0118 1.0118 1.0118 1.0118 2.3796 2.3796 2.3796 2.3796 3.4966 3.4966 3.4966 3.4966 3.6947 3.6947 3.6947 3.6947 4.3506 4.3506 4.3506 4.3506 4.8500 4.8500 4.8500 4.8500 5.2369 5.2369 5.2369 5.2369 5.3013 5.3013 5.3013 5.3013 5.8631 5.8631 5.8631 5.8631 6.3606 6.3606 6.3606 6.3606 13.5937 13.5937 13.5937 13.5937 15.9849 15.9849 15.9849 15.9849 16.4700 16.4700 16.4700 16.4700 k = 0.0000 0.0439 0.1509 ( 4228 PWs) bands (ev): -13.8248 -13.8248 -13.8248 -13.8248 -12.6069 -12.6069 -12.6069 -12.6069 -10.7532 -10.7532 -10.7532 -10.7532 -9.9027 -9.9027 -9.9027 -9.9027 -2.2637 -2.2637 -2.2637 -2.2637 0.2747 0.2747 0.2747 0.2747 1.0138 1.0138 1.0138 1.0138 2.3812 2.3812 2.3812 2.3812 3.4753 3.4753 3.4753 3.4753 3.6910 3.6910 3.6910 3.6910 4.3535 4.3535 4.3535 4.3535 4.8499 4.8499 4.8499 4.8499 5.2354 5.2354 5.2354 5.2354 5.3024 5.3024 5.3024 5.3024 5.8675 5.8675 5.8675 5.8675 6.3726 6.3726 6.3726 6.3726 13.5696 13.5696 13.5696 13.5696 15.9866 15.9866 15.9866 15.9866 16.4766 16.4766 16.4766 16.4766 k = 0.0000 0.0351 0.1509 ( 4230 PWs) bands (ev): -13.8296 -13.8296 -13.8296 -13.8296 -12.6058 -12.6058 -12.6058 -12.6058 -10.7519 -10.7519 -10.7519 -10.7519 -9.8945 -9.8945 -9.8945 -9.8945 -2.2730 -2.2730 -2.2730 -2.2730 0.2790 0.2790 0.2790 0.2790 1.0146 1.0146 1.0146 1.0146 2.3834 2.3834 2.3834 2.3834 3.4569 3.4569 3.4569 3.4569 3.6879 3.6879 3.6879 3.6879 4.3561 4.3561 4.3561 4.3561 4.8498 4.8498 4.8498 4.8498 5.2344 5.2344 5.2344 5.2344 5.3033 5.3033 5.3033 5.3033 5.8712 5.8712 5.8712 5.8712 6.3825 6.3825 6.3825 6.3825 13.5497 13.5497 13.5497 13.5497 15.9874 15.9874 15.9874 15.9874 16.4822 16.4822 16.4822 16.4822 k = 0.0000 0.0263 0.1509 ( 4232 PWs) bands (ev): -13.8334 -13.8334 -13.8334 -13.8334 -12.6050 -12.6050 -12.6050 -12.6050 -10.7508 -10.7508 -10.7508 -10.7508 -9.8880 -9.8880 -9.8880 -9.8880 -2.2803 -2.2803 -2.2803 -2.2803 0.2828 0.2828 0.2828 0.2828 1.0147 1.0147 1.0147 1.0147 2.3857 2.3857 2.3857 2.3857 3.4419 3.4419 3.4419 3.4419 3.6855 3.6855 3.6855 3.6855 4.3581 4.3581 4.3581 4.3581 4.8497 4.8497 4.8497 4.8497 5.2338 5.2338 5.2338 5.2338 5.3040 5.3040 5.3040 5.3040 5.8740 5.8740 5.8740 5.8740 6.3902 6.3902 6.3902 6.3902 13.5341 13.5341 13.5341 13.5341 15.9878 15.9878 15.9878 15.9878 16.4867 16.4867 16.4867 16.4867 k = 0.0000 0.0176 0.1509 ( 4240 PWs) bands (ev): -13.8361 -13.8361 -13.8361 -13.8361 -12.6044 -12.6044 -12.6044 -12.6044 -10.7500 -10.7500 -10.7500 -10.7500 -9.8834 -9.8834 -9.8834 -9.8834 -2.2856 -2.2856 -2.2856 -2.2856 0.2857 0.2857 0.2857 0.2857 1.0144 1.0144 1.0144 1.0144 2.3877 2.3877 2.3877 2.3877 3.4308 3.4308 3.4308 3.4308 3.6838 3.6838 3.6838 3.6838 4.3595 4.3595 4.3595 4.3595 4.8495 4.8495 4.8495 4.8495 5.2334 5.2334 5.2334 5.2334 5.3046 5.3046 5.3046 5.3046 5.8761 5.8761 5.8761 5.8761 6.3958 6.3958 6.3958 6.3958 13.5229 13.5229 13.5229 13.5229 15.9880 15.9880 15.9880 15.9880 16.4900 16.4900 16.4900 16.4900 k = 0.0000 0.0088 0.1509 ( 4238 PWs) bands (ev): -13.8377 -13.8377 -13.8377 -13.8377 -12.6041 -12.6041 -12.6041 -12.6041 -10.7495 -10.7495 -10.7495 -10.7495 -9.8806 -9.8806 -9.8806 -9.8806 -2.2888 -2.2888 -2.2888 -2.2888 0.2876 0.2876 0.2876 0.2876 1.0141 1.0141 1.0141 1.0141 2.3891 2.3891 2.3891 2.3891 3.4240 3.4240 3.4240 3.4240 3.6828 3.6828 3.6828 3.6828 4.3604 4.3604 4.3604 4.3604 4.8495 4.8495 4.8495 4.8495 5.2332 5.2332 5.2332 5.2332 5.3049 5.3049 5.3049 5.3049 5.8773 5.8773 5.8773 5.8773 6.3991 6.3991 6.3991 6.3991 13.5161 13.5161 13.5161 13.5161 15.9880 15.9880 15.9880 15.9880 16.4919 16.4919 16.4919 16.4919 k = 0.0000 0.0000 0.1509 ( 4238 PWs) bands (ev): -13.8383 -13.8383 -13.8383 -13.8383 -12.6039 -12.6039 -12.6039 -12.6039 -10.7494 -10.7494 -10.7494 -10.7494 -9.8797 -9.8797 -9.8797 -9.8797 -2.2899 -2.2899 -2.2899 -2.2899 0.2882 0.2882 0.2882 0.2882 1.0140 1.0140 1.0140 1.0140 2.3896 2.3896 2.3896 2.3896 3.4217 3.4217 3.4217 3.4217 3.6825 3.6825 3.6825 3.6825 4.3607 4.3607 4.3607 4.3607 4.8494 4.8494 4.8494 4.8494 5.2331 5.2331 5.2331 5.2331 5.3050 5.3050 5.3050 5.3050 5.8777 5.8777 5.8777 5.8777 6.4002 6.4002 6.4002 6.4002 13.5139 13.5139 13.5139 13.5139 15.9880 15.9880 15.9880 15.9880 16.4926 16.4926 16.4926 16.4926 k = 0.0000 0.3248-0.0000 ( 4234 PWs) bands (ev): -13.4245 -13.4245 -13.4245 -13.4245 -12.7958 -12.7958 -12.7958 -12.7958 -10.7277 -10.7277 -10.7277 -10.7277 -10.4675 -10.4675 -10.4675 -10.4675 -1.8704 -1.8704 -1.8704 -1.8704 0.4508 0.4508 0.4508 0.4508 0.9946 0.9946 0.9946 0.9946 2.0675 2.0675 2.0675 2.0675 3.9107 3.9107 3.9107 3.9107 4.0506 4.0506 4.0506 4.0506 4.5733 4.5733 4.5733 4.5733 4.8004 4.8004 4.8004 4.8004 5.2922 5.2922 5.2922 5.2922 5.3248 5.3248 5.3248 5.3248 5.6213 5.6213 5.6213 5.6213 5.8659 5.8659 5.8659 5.8659 14.8850 14.8850 14.8850 14.8850 15.7493 15.7493 15.7493 15.7493 16.1899 16.1899 16.1899 16.1899 k = 0.0000 0.3248 0.0089 ( 4230 PWs) bands (ev): -13.4245 -13.4245 -13.4245 -13.4245 -12.7959 -12.7959 -12.7959 -12.7959 -10.7272 -10.7272 -10.7272 -10.7272 -10.4681 -10.4681 -10.4681 -10.4681 -1.8702 -1.8702 -1.8702 -1.8702 0.4496 0.4496 0.4496 0.4496 0.9960 0.9960 0.9960 0.9960 2.0664 2.0664 2.0664 2.0664 3.9107 3.9107 3.9107 3.9107 4.0523 4.0523 4.0523 4.0523 4.5726 4.5726 4.5726 4.5726 4.8000 4.8000 4.8000 4.8000 5.2930 5.2930 5.2930 5.2930 5.3257 5.3257 5.3257 5.3257 5.6209 5.6209 5.6209 5.6209 5.8645 5.8645 5.8645 5.8645 14.8872 14.8872 14.8872 14.8872 15.7498 15.7498 15.7498 15.7498 16.1879 16.1879 16.1879 16.1879 k = 0.0000 0.3248 0.0178 ( 4228 PWs) bands (ev): -13.4244 -13.4244 -13.4244 -13.4244 -12.7962 -12.7962 -12.7962 -12.7962 -10.7255 -10.7255 -10.7255 -10.7255 -10.4696 -10.4696 -10.4696 -10.4696 -1.8695 -1.8695 -1.8695 -1.8695 0.4463 0.4463 0.4463 0.4463 1.0000 1.0000 1.0000 1.0000 2.0631 2.0631 2.0631 2.0631 3.9109 3.9109 3.9109 3.9109 4.0574 4.0574 4.0574 4.0574 4.5708 4.5708 4.5708 4.5708 4.7990 4.7990 4.7990 4.7990 5.2952 5.2952 5.2952 5.2952 5.3281 5.3281 5.3281 5.3281 5.6196 5.6196 5.6196 5.6196 5.8602 5.8602 5.8602 5.8602 14.8935 14.8935 14.8935 14.8935 15.7510 15.7510 15.7510 15.7510 16.1820 16.1820 16.1820 16.1820 k = 0.0000 0.3248 0.0266 ( 4224 PWs) bands (ev): -13.4242 -13.4242 -13.4242 -13.4242 -12.7966 -12.7966 -12.7966 -12.7966 -10.7228 -10.7228 -10.7228 -10.7228 -10.4722 -10.4722 -10.4722 -10.4722 -1.8685 -1.8685 -1.8685 -1.8685 0.4410 0.4410 0.4410 0.4410 1.0065 1.0065 1.0065 1.0065 2.0578 2.0578 2.0578 2.0578 3.9111 3.9111 3.9111 3.9111 4.0658 4.0658 4.0658 4.0658 4.5676 4.5676 4.5676 4.5676 4.7972 4.7972 4.7972 4.7972 5.2990 5.2990 5.2990 5.2990 5.3323 5.3323 5.3323 5.3323 5.6175 5.6175 5.6175 5.6175 5.8532 5.8532 5.8532 5.8532 14.9040 14.9040 14.9040 14.9040 15.7531 15.7531 15.7531 15.7531 16.1721 16.1721 16.1721 16.1721 k = 0.0000 0.3248 0.0355 ( 4228 PWs) bands (ev): -13.4239 -13.4239 -13.4239 -13.4239 -12.7972 -12.7972 -12.7972 -12.7972 -10.7190 -10.7190 -10.7190 -10.7190 -10.4758 -10.4758 -10.4758 -10.4758 -1.8670 -1.8670 -1.8670 -1.8670 0.4339 0.4339 0.4339 0.4339 1.0151 1.0151 1.0151 1.0151 2.0507 2.0507 2.0507 2.0507 3.9114 3.9114 3.9114 3.9114 4.0772 4.0772 4.0772 4.0772 4.5632 4.5632 4.5632 4.5632 4.7948 4.7948 4.7948 4.7948 5.3040 5.3040 5.3040 5.3040 5.3381 5.3381 5.3381 5.3381 5.6145 5.6145 5.6145 5.6145 5.8435 5.8435 5.8435 5.8435 14.9184 14.9184 14.9184 14.9184 15.7559 15.7559 15.7559 15.7559 16.1586 16.1586 16.1586 16.1586 k = 0.0000 0.3248 0.0444 ( 4244 PWs) bands (ev): -13.4236 -13.4236 -13.4236 -13.4236 -12.7979 -12.7979 -12.7979 -12.7979 -10.7142 -10.7142 -10.7142 -10.7142 -10.4803 -10.4803 -10.4803 -10.4803 -1.8653 -1.8653 -1.8653 -1.8653 0.4254 0.4254 0.4254 0.4254 1.0256 1.0256 1.0256 1.0256 2.0419 2.0419 2.0419 2.0419 3.9118 3.9118 3.9118 3.9118 4.0915 4.0915 4.0915 4.0915 4.5576 4.5576 4.5576 4.5576 4.7919 4.7919 4.7919 4.7919 5.3103 5.3103 5.3103 5.3103 5.3455 5.3455 5.3455 5.3455 5.6108 5.6108 5.6108 5.6108 5.8312 5.8312 5.8312 5.8312 14.9366 14.9366 14.9366 14.9366 15.7592 15.7592 15.7592 15.7592 16.1416 16.1416 16.1416 16.1416 k = 0.0000 0.3248 0.0533 ( 4244 PWs) bands (ev): -13.4233 -13.4233 -13.4233 -13.4233 -12.7987 -12.7987 -12.7987 -12.7987 -10.7084 -10.7084 -10.7084 -10.7084 -10.4858 -10.4858 -10.4858 -10.4858 -1.8633 -1.8633 -1.8633 -1.8633 0.4160 0.4160 0.4160 0.4160 1.0375 1.0375 1.0375 1.0375 2.0317 2.0317 2.0317 2.0317 3.9122 3.9122 3.9122 3.9122 4.1084 4.1084 4.1084 4.1084 4.5507 4.5507 4.5507 4.5507 4.7887 4.7887 4.7887 4.7887 5.3177 5.3177 5.3177 5.3177 5.3546 5.3546 5.3546 5.3546 5.6063 5.6063 5.6063 5.6063 5.8165 5.8165 5.8165 5.8165 14.9584 14.9584 14.9584 14.9584 15.7628 15.7628 15.7628 15.7628 16.1215 16.1215 16.1215 16.1215 k = 0.0000 0.3248 0.0621 ( 4240 PWs) bands (ev): -13.4229 -13.4229 -13.4229 -13.4229 -12.7996 -12.7996 -12.7996 -12.7996 -10.7018 -10.7018 -10.7018 -10.7018 -10.4921 -10.4921 -10.4921 -10.4921 -1.8611 -1.8611 -1.8611 -1.8611 0.4059 0.4059 0.4059 0.4059 1.0503 1.0503 1.0503 1.0503 2.0205 2.0205 2.0205 2.0205 3.9126 3.9126 3.9126 3.9126 4.1274 4.1274 4.1274 4.1274 4.5424 4.5424 4.5424 4.5424 4.7852 4.7852 4.7852 4.7852 5.3260 5.3260 5.3260 5.3260 5.3654 5.3654 5.3654 5.3654 5.6012 5.6012 5.6012 5.6012 5.7996 5.7996 5.7996 5.7996 14.9834 14.9834 14.9834 14.9834 15.7664 15.7664 15.7664 15.7664 16.0989 16.0989 16.0989 16.0989 k = 0.0000 0.3248 0.0710 ( 4240 PWs) bands (ev): -13.4225 -13.4225 -13.4225 -13.4225 -12.8005 -12.8005 -12.8005 -12.8005 -10.6943 -10.6943 -10.6943 -10.6943 -10.4992 -10.4992 -10.4992 -10.4992 -1.8587 -1.8587 -1.8587 -1.8587 0.3956 0.3956 0.3956 0.3956 1.0636 1.0636 1.0636 1.0636 2.0087 2.0087 2.0087 2.0087 3.9131 3.9131 3.9131 3.9131 4.1483 4.1483 4.1483 4.1483 4.5330 4.5330 4.5330 4.5330 4.7816 4.7816 4.7816 4.7816 5.3349 5.3349 5.3349 5.3349 5.3777 5.3777 5.3777 5.3777 5.5955 5.5955 5.5955 5.5955 5.7807 5.7807 5.7807 5.7807 15.0111 15.0111 15.0111 15.0111 15.7695 15.7695 15.7695 15.7695 16.0745 16.0745 16.0745 16.0745 k = 0.0000 0.3248 0.0799 ( 4240 PWs) bands (ev): -13.4221 -13.4221 -13.4221 -13.4221 -12.8014 -12.8014 -12.8014 -12.8014 -10.6861 -10.6861 -10.6861 -10.6861 -10.5071 -10.5071 -10.5071 -10.5071 -1.8563 -1.8563 -1.8563 -1.8563 0.3854 0.3854 0.3854 0.3854 1.0771 1.0771 1.0771 1.0771 1.9965 1.9965 1.9965 1.9965 3.9136 3.9136 3.9136 3.9136 4.1705 4.1705 4.1705 4.1705 4.5222 4.5222 4.5222 4.5222 4.7779 4.7779 4.7779 4.7779 5.3444 5.3444 5.3444 5.3444 5.3917 5.3917 5.3917 5.3917 5.5894 5.5894 5.5894 5.5894 5.7600 5.7600 5.7600 5.7600 15.0411 15.0411 15.0411 15.0411 15.7715 15.7715 15.7715 15.7715 16.0494 16.0494 16.0494 16.0494 k = 0.0000 0.3248 0.0888 ( 4238 PWs) bands (ev): -13.4216 -13.4216 -13.4216 -13.4216 -12.8024 -12.8024 -12.8024 -12.8024 -10.6773 -10.6773 -10.6773 -10.6773 -10.5156 -10.5156 -10.5156 -10.5156 -1.8539 -1.8539 -1.8539 -1.8539 0.3756 0.3756 0.3756 0.3756 1.0902 1.0902 1.0902 1.0902 1.9845 1.9845 1.9845 1.9845 3.9141 3.9141 3.9141 3.9141 4.1938 4.1938 4.1938 4.1938 4.5103 4.5103 4.5103 4.5103 4.7744 4.7744 4.7744 4.7744 5.3541 5.3541 5.3541 5.3541 5.4073 5.4073 5.4073 5.4073 5.5829 5.5829 5.5829 5.5829 5.7378 5.7378 5.7378 5.7378 15.0727 15.0727 15.0727 15.0727 15.7717 15.7717 15.7717 15.7717 16.0248 16.0248 16.0248 16.0248 k = 0.0000 0.3248 0.0977 ( 4238 PWs) bands (ev): -13.4212 -13.4212 -13.4212 -13.4212 -12.8032 -12.8032 -12.8032 -12.8032 -10.6679 -10.6679 -10.6679 -10.6679 -10.5246 -10.5246 -10.5246 -10.5246 -1.8517 -1.8517 -1.8517 -1.8517 0.3666 0.3666 0.3666 0.3666 1.1026 1.1026 1.1026 1.1026 1.9729 1.9729 1.9729 1.9729 3.9145 3.9145 3.9145 3.9145 4.2175 4.2175 4.2175 4.2175 4.4972 4.4972 4.4972 4.4972 4.7711 4.7711 4.7711 4.7711 5.3637 5.3637 5.3637 5.3637 5.4243 5.4243 5.4243 5.4243 5.5763 5.5763 5.5763 5.5763 5.7144 5.7144 5.7144 5.7144 15.1051 15.1051 15.1051 15.1051 15.7690 15.7690 15.7690 15.7690 16.0024 16.0024 16.0024 16.0024 k = 0.0000 0.3248 0.1065 ( 4232 PWs) bands (ev): -13.4209 -13.4209 -13.4209 -13.4209 -12.8040 -12.8040 -12.8040 -12.8040 -10.6582 -10.6582 -10.6582 -10.6582 -10.5340 -10.5340 -10.5340 -10.5340 -1.8496 -1.8496 -1.8496 -1.8496 0.3585 0.3585 0.3585 0.3585 1.1139 1.1139 1.1139 1.1139 1.9623 1.9623 1.9623 1.9623 3.9149 3.9149 3.9149 3.9149 4.2413 4.2413 4.2413 4.2413 4.4830 4.4830 4.4830 4.4830 4.7682 4.7682 4.7682 4.7682 5.3729 5.3729 5.3729 5.3729 5.4428 5.4428 5.4428 5.4428 5.5698 5.5698 5.5698 5.5698 5.6901 5.6901 5.6901 5.6901 15.1372 15.1372 15.1372 15.1372 15.7629 15.7629 15.7629 15.7629 15.9835 15.9835 15.9835 15.9835 k = 0.0000 0.3248 0.1154 ( 4228 PWs) bands (ev): -13.4206 -13.4206 -13.4206 -13.4206 -12.8047 -12.8047 -12.8047 -12.8047 -10.6484 -10.6484 -10.6484 -10.6484 -10.5435 -10.5435 -10.5435 -10.5435 -1.8478 -1.8478 -1.8478 -1.8478 0.3516 0.3516 0.3516 0.3516 1.1237 1.1237 1.1237 1.1237 1.9530 1.9530 1.9530 1.9530 3.9153 3.9153 3.9153 3.9153 4.2646 4.2646 4.2646 4.2646 4.4682 4.4682 4.4682 4.4682 4.7656 4.7656 4.7656 4.7656 5.3813 5.3813 5.3813 5.3813 5.4625 5.4625 5.4625 5.4625 5.5637 5.5637 5.5637 5.5637 5.6653 5.6653 5.6653 5.6653 15.1676 15.1676 15.1676 15.1676 15.7533 15.7533 15.7533 15.7533 15.9693 15.9693 15.9693 15.9693 k = 0.0000 0.3248 0.1243 ( 4222 PWs) bands (ev): -13.4203 -13.4203 -13.4203 -13.4203 -12.8053 -12.8053 -12.8053 -12.8053 -10.6389 -10.6389 -10.6389 -10.6389 -10.5528 -10.5528 -10.5528 -10.5528 -1.8463 -1.8463 -1.8463 -1.8463 0.3461 0.3461 0.3461 0.3461 1.1317 1.1317 1.1317 1.1317 1.9454 1.9454 1.9454 1.9454 3.9156 3.9156 3.9156 3.9156 4.2865 4.2865 4.2865 4.2865 4.4531 4.4531 4.4531 4.4531 4.7636 4.7636 4.7636 4.7636 5.3887 5.3887 5.3887 5.3887 5.4831 5.4831 5.4831 5.4831 5.5585 5.5585 5.5585 5.5585 5.6404 5.6404 5.6404 5.6404 15.1948 15.1948 15.1948 15.1948 15.7414 15.7414 15.7414 15.7414 15.9598 15.9598 15.9598 15.9598 k = 0.0000 0.3248 0.1332 ( 4226 PWs) bands (ev): -13.4201 -13.4201 -13.4201 -13.4201 -12.8057 -12.8057 -12.8057 -12.8057 -10.6302 -10.6302 -10.6302 -10.6302 -10.5614 -10.5614 -10.5614 -10.5614 -1.8452 -1.8452 -1.8452 -1.8452 0.3420 0.3420 0.3420 0.3420 1.1376 1.1376 1.1376 1.1376 1.9397 1.9397 1.9397 1.9397 3.9158 3.9158 3.9158 3.9158 4.3058 4.3058 4.3058 4.3058 4.4389 4.4389 4.4389 4.4389 4.7621 4.7621 4.7621 4.7621 5.3943 5.3943 5.3943 5.3943 5.5039 5.5039 5.5039 5.5039 5.5546 5.5546 5.5546 5.5546 5.6162 5.6162 5.6162 5.6162 15.2166 15.2166 15.2166 15.2166 15.7298 15.7298 15.7298 15.7298 15.9542 15.9542 15.9542 15.9542 k = 0.0000 0.3248 0.1421 ( 4232 PWs) bands (ev): -13.4200 -13.4200 -13.4200 -13.4200 -12.8060 -12.8060 -12.8060 -12.8060 -10.6235 -10.6235 -10.6235 -10.6235 -10.5679 -10.5679 -10.5679 -10.5679 -1.8446 -1.8446 -1.8446 -1.8446 0.3395 0.3395 0.3395 0.3395 1.1413 1.1413 1.1413 1.1413 1.9362 1.9362 1.9362 1.9362 3.9159 3.9159 3.9159 3.9159 4.3200 4.3200 4.3200 4.3200 4.4277 4.4277 4.4277 4.4277 4.7612 4.7612 4.7612 4.7612 5.3980 5.3980 5.3980 5.3980 5.5224 5.5224 5.5224 5.5224 5.5532 5.5532 5.5532 5.5532 5.5944 5.5944 5.5944 5.5944 15.2309 15.2309 15.2309 15.2309 15.7212 15.7212 15.7212 15.7212 15.9515 15.9515 15.9515 15.9515 k = 0.0000 0.3248 0.1509 ( 4228 PWs) bands (ev): -13.4200 -13.4200 -13.4200 -13.4200 -12.8061 -12.8061 -12.8061 -12.8061 -10.6209 -10.6209 -10.6209 -10.6209 -10.5705 -10.5705 -10.5705 -10.5705 -1.8443 -1.8443 -1.8443 -1.8443 0.3387 0.3387 0.3387 0.3387 1.1425 1.1425 1.1425 1.1425 1.9350 1.9350 1.9350 1.9350 3.9160 3.9160 3.9160 3.9160 4.3256 4.3256 4.3256 4.3256 4.4232 4.4232 4.4232 4.4232 4.7609 4.7609 4.7609 4.7609 5.3992 5.3992 5.3992 5.3992 5.5309 5.5309 5.5309 5.5309 5.5546 5.5546 5.5546 5.5546 5.5829 5.5829 5.5829 5.5829 15.2358 15.2358 15.2358 15.2358 15.7180 15.7180 15.7180 15.7180 15.9507 15.9507 15.9507 15.9507 k = 0.5000-0.0000 0.1509 ( 4224 PWs) bands (ev): -12.6701 -12.6701 -12.6701 -12.6701 -12.6700 -12.6700 -12.6700 -12.6700 -9.9057 -9.9057 -9.9057 -9.9057 -9.9049 -9.9049 -9.9049 -9.9049 -0.9882 -0.9882 -0.9882 -0.9882 -0.9880 -0.9880 -0.9880 -0.9880 1.2120 1.2120 1.2120 1.2120 1.2138 1.2138 1.2138 1.2138 2.3678 2.3678 2.3678 2.3678 2.3688 2.3688 2.3688 2.3688 3.2420 3.2420 3.2420 3.2420 3.2455 3.2455 3.2455 3.2455 4.6468 4.6468 4.6468 4.6468 4.6556 4.6556 4.6556 4.6556 5.5740 5.5740 5.5740 5.5740 5.5790 5.5790 5.5790 5.5790 16.9757 16.9757 16.9757 16.9757 16.9778 16.9778 16.9778 16.9778 17.4729 17.4730 17.4740 17.4747 k = 0.5000-0.0000 0.1421 ( 4224 PWs) bands (ev): -12.6715 -12.6715 -12.6715 -12.6715 -12.6685 -12.6685 -12.6685 -12.6685 -9.9067 -9.9067 -9.9067 -9.9067 -9.9039 -9.9039 -9.9039 -9.9039 -0.9991 -0.9991 -0.9991 -0.9991 -0.9771 -0.9771 -0.9771 -0.9771 1.2001 1.2001 1.2001 1.2001 1.2261 1.2261 1.2261 1.2261 2.3451 2.3451 2.3451 2.3451 2.3914 2.3914 2.3914 2.3914 3.2219 3.2219 3.2219 3.2219 3.2660 3.2660 3.2660 3.2660 4.6186 4.6186 4.6186 4.6186 4.6831 4.6831 4.6831 4.6831 5.5456 5.5456 5.5456 5.5456 5.6075 5.6075 5.6075 5.6075 16.9215 16.9215 16.9215 16.9215 17.0314 17.0314 17.0314 17.0314 17.4376 17.4377 17.4377 17.4377 k = 0.5000-0.0000 0.1332 ( 4232 PWs) bands (ev): -12.6730 -12.6730 -12.6730 -12.6730 -12.6671 -12.6671 -12.6671 -12.6671 -9.9080 -9.9080 -9.9080 -9.9080 -9.9026 -9.9026 -9.9026 -9.9026 -1.0098 -1.0098 -1.0098 -1.0098 -0.9660 -0.9660 -0.9660 -0.9660 1.1879 1.1879 1.1879 1.1879 1.2395 1.2395 1.2395 1.2395 2.3219 2.3219 2.3219 2.3219 2.4138 2.4138 2.4138 2.4138 3.2012 3.2012 3.2012 3.2012 3.2884 3.2884 3.2884 3.2884 4.5859 4.5859 4.5859 4.5859 4.7137 4.7137 4.7137 4.7137 5.5151 5.5151 5.5151 5.5151 5.6382 5.6382 5.6382 5.6382 16.8661 16.8661 16.8661 16.8661 17.0849 17.0849 17.0849 17.0849 17.3959 17.3959 17.3959 17.3959 k = 0.5000-0.0000 0.1243 ( 4230 PWs) bands (ev): -12.6745 -12.6745 -12.6745 -12.6745 -12.6656 -12.6656 -12.6656 -12.6656 -9.9093 -9.9093 -9.9093 -9.9093 -9.9013 -9.9013 -9.9013 -9.9013 -1.0203 -1.0203 -1.0203 -1.0203 -0.9551 -0.9551 -0.9551 -0.9551 1.1763 1.1763 1.1763 1.1763 1.2533 1.2533 1.2533 1.2533 2.2993 2.2993 2.2993 2.2993 2.4354 2.4354 2.4354 2.4354 3.1819 3.1819 3.1819 3.1819 3.3106 3.3106 3.3106 3.3106 4.5528 4.5528 4.5528 4.5528 4.7433 4.7433 4.7433 4.7433 5.4853 5.4853 5.4853 5.4853 5.6684 5.6684 5.6684 5.6684 16.8113 16.8113 16.8113 16.8113 17.1367 17.1367 17.1367 17.1367 17.3506 17.3506 17.3506 17.3506 k = 0.5000-0.0000 0.1154 ( 4226 PWs) bands (ev): -12.6759 -12.6759 -12.6759 -12.6759 -12.6641 -12.6641 -12.6641 -12.6641 -9.9106 -9.9106 -9.9106 -9.9106 -9.9000 -9.9000 -9.9000 -9.9000 -1.0305 -1.0305 -1.0305 -1.0305 -0.9444 -0.9444 -0.9444 -0.9444 1.1653 1.1653 1.1653 1.1653 1.2672 1.2672 1.2672 1.2672 2.2773 2.2773 2.2773 2.2773 2.4554 2.4554 2.4554 2.4554 3.1645 3.1645 3.1645 3.1645 3.3323 3.3323 3.3323 3.3323 4.5195 4.5195 4.5195 4.5195 4.7718 4.7718 4.7718 4.7718 5.4563 5.4563 5.4563 5.4563 5.6978 5.6978 5.6978 5.6978 16.7573 16.7573 16.7573 16.7573 17.1863 17.1863 17.1863 17.1863 17.3038 17.3038 17.3038 17.3038 k = 0.5000-0.0000 0.1065 ( 4226 PWs) bands (ev): -12.6773 -12.6773 -12.6773 -12.6773 -12.6628 -12.6628 -12.6628 -12.6628 -9.9118 -9.9118 -9.9118 -9.9118 -9.8988 -9.8988 -9.8988 -9.8988 -1.0403 -1.0403 -1.0403 -1.0403 -0.9340 -0.9340 -0.9340 -0.9340 1.1549 1.1549 1.1549 1.1549 1.2811 1.2811 1.2811 1.2811 2.2562 2.2562 2.2562 2.2562 2.4737 2.4737 2.4737 2.4737 3.1494 3.1494 3.1494 3.1494 3.3533 3.3533 3.3533 3.3533 4.4862 4.4862 4.4862 4.4862 4.7990 4.7990 4.7990 4.7990 5.4284 5.4284 5.4284 5.4284 5.7262 5.7262 5.7262 5.7262 16.7049 16.7049 16.7049 16.7049 17.2330 17.2330 17.2330 17.2330 17.2571 17.2571 17.2571 17.2571 k = 0.5000-0.0000 0.0977 ( 4224 PWs) bands (ev): -12.6786 -12.6786 -12.6786 -12.6786 -12.6614 -12.6614 -12.6614 -12.6614 -9.9130 -9.9130 -9.9130 -9.9130 -9.8976 -9.8976 -9.8976 -9.8976 -1.0495 -1.0495 -1.0495 -1.0495 -0.9240 -0.9240 -0.9240 -0.9240 1.1453 1.1453 1.1453 1.1453 1.2949 1.2949 1.2949 1.2949 2.2362 2.2362 2.2362 2.2362 2.4896 2.4896 2.4896 2.4896 3.1370 3.1370 3.1370 3.1370 3.3734 3.3734 3.3734 3.3734 4.4534 4.4534 4.4534 4.4534 4.8247 4.8247 4.8247 4.8247 5.4019 5.4019 5.4019 5.4019 5.7534 5.7534 5.7534 5.7534 16.6546 16.6546 16.6546 16.6546 17.2115 17.2115 17.2115 17.2115 17.2766 17.2766 17.2766 17.2766 k = 0.5000-0.0000 0.0888 ( 4232 PWs) bands (ev): -12.6798 -12.6798 -12.6798 -12.6798 -12.6602 -12.6602 -12.6602 -12.6602 -9.9141 -9.9141 -9.9141 -9.9141 -9.8965 -9.8965 -9.8965 -9.8965 -1.0582 -1.0582 -1.0582 -1.0582 -0.9145 -0.9145 -0.9145 -0.9145 1.1364 1.1364 1.1364 1.1364 1.3085 1.3085 1.3085 1.3085 2.2174 2.2174 2.2174 2.2174 2.5030 2.5030 2.5030 2.5030 3.1276 3.1276 3.1276 3.1276 3.3922 3.3922 3.3922 3.3922 4.4212 4.4212 4.4212 4.4212 4.8488 4.8488 4.8488 4.8488 5.3769 5.3769 5.3769 5.3769 5.7790 5.7790 5.7790 5.7790 16.6067 16.6067 16.6067 16.6067 17.1683 17.1683 17.1683 17.1683 17.3160 17.3160 17.3160 17.3160 k = 0.5000-0.0000 0.0799 ( 4238 PWs) bands (ev): -12.6810 -12.6810 -12.6810 -12.6810 -12.6590 -12.6590 -12.6590 -12.6590 -9.9152 -9.9152 -9.9152 -9.9152 -9.8955 -9.8955 -9.8955 -9.8955 -1.0662 -1.0662 -1.0662 -1.0662 -0.9055 -0.9055 -0.9055 -0.9055 1.1282 1.1282 1.1282 1.1282 1.3216 1.3216 1.3216 1.3216 2.2001 2.2001 2.2001 2.2001 2.5136 2.5136 2.5136 2.5136 3.1214 3.1214 3.1214 3.1214 3.4097 3.4097 3.4097 3.4097 4.3900 4.3900 4.3900 4.3900 4.8711 4.8711 4.8711 4.8711 5.3538 5.3538 5.3538 5.3538 5.8029 5.8029 5.8029 5.8029 16.5619 16.5619 16.5619 16.5619 17.1280 17.1280 17.1280 17.1280 17.3506 17.3506 17.3506 17.3506 k = 0.5000-0.0000 0.0710 ( 4228 PWs) bands (ev): -12.6820 -12.6820 -12.6820 -12.6820 -12.6579 -12.6579 -12.6579 -12.6579 -9.9161 -9.9161 -9.9161 -9.9161 -9.8946 -9.8946 -9.8946 -9.8946 -1.0736 -1.0736 -1.0736 -1.0736 -0.8972 -0.8972 -0.8972 -0.8972 1.1209 1.1209 1.1209 1.1209 1.3341 1.3341 1.3341 1.3341 2.1843 2.1843 2.1843 2.1843 2.5214 2.5214 2.5214 2.5214 3.1183 3.1183 3.1183 3.1183 3.4258 3.4258 3.4258 3.4258 4.3601 4.3601 4.3601 4.3601 4.8915 4.8915 4.8915 4.8915 5.3326 5.3326 5.3326 5.3326 5.8249 5.8249 5.8249 5.8249 16.5206 16.5206 16.5206 16.5206 17.0910 17.0910 17.0910 17.0910 17.3798 17.3798 17.3798 17.3798 k = 0.5000-0.0000 0.0621 ( 4236 PWs) bands (ev): -12.6830 -12.6830 -12.6830 -12.6830 -12.6570 -12.6570 -12.6570 -12.6570 -9.9170 -9.9170 -9.9170 -9.9170 -9.8938 -9.8938 -9.8938 -9.8938 -1.0802 -1.0802 -1.0802 -1.0802 -0.8897 -0.8897 -0.8897 -0.8897 1.1144 1.1144 1.1144 1.1144 1.3457 1.3457 1.3457 1.3457 2.1702 2.1702 2.1702 2.1702 2.5266 2.5266 2.5266 2.5266 3.1180 3.1180 3.1180 3.1180 3.4402 3.4402 3.4402 3.4402 4.3321 4.3321 4.3321 4.3321 4.9099 4.9099 4.9099 4.9099 5.3135 5.3135 5.3135 5.3135 5.8448 5.8448 5.8448 5.8448 16.4831 16.4831 16.4831 16.4831 17.0577 17.0577 17.0577 17.0577 17.4029 17.4029 17.4029 17.4029 k = 0.5000-0.0000 0.0533 ( 4236 PWs) bands (ev): -12.6838 -12.6838 -12.6838 -12.6838 -12.6561 -12.6561 -12.6561 -12.6561 -9.9178 -9.9178 -9.9178 -9.9178 -9.8930 -9.8930 -9.8930 -9.8930 -1.0860 -1.0860 -1.0860 -1.0860 -0.8831 -0.8831 -0.8831 -0.8831 1.1087 1.1087 1.1087 1.1087 1.3564 1.3564 1.3564 1.3564 2.1577 2.1577 2.1577 2.1577 2.5295 2.5295 2.5295 2.5295 3.1200 3.1200 3.1200 3.1200 3.4528 3.4528 3.4528 3.4528 4.3063 4.3063 4.3063 4.3063 4.9260 4.9260 4.9260 4.9260 5.2968 5.2968 5.2968 5.2968 5.8624 5.8624 5.8624 5.8624 16.4498 16.4498 16.4498 16.4498 17.0283 17.0283 17.0283 17.0283 17.4202 17.4202 17.4202 17.4202 k = 0.5000-0.0000 0.0444 ( 4232 PWs) bands (ev): -12.6845 -12.6845 -12.6845 -12.6845 -12.6554 -12.6554 -12.6554 -12.6554 -9.9184 -9.9184 -9.9184 -9.9184 -9.8924 -9.8924 -9.8924 -9.8924 -1.0910 -1.0910 -1.0910 -1.0910 -0.8773 -0.8773 -0.8773 -0.8773 1.1039 1.1039 1.1039 1.1039 1.3658 1.3658 1.3658 1.3658 2.1471 2.1471 2.1471 2.1471 2.5307 2.5307 2.5307 2.5307 3.1235 3.1235 3.1235 3.1235 3.4637 3.4637 3.4637 3.4637 4.2834 4.2834 4.2834 4.2834 4.9400 4.9400 4.9400 4.9400 5.2824 5.2824 5.2824 5.2824 5.8775 5.8775 5.8775 5.8775 16.4212 16.4212 16.4212 16.4212 17.0032 17.0032 17.0032 17.0032 17.4321 17.4321 17.4321 17.4321 k = 0.5000-0.0000 0.0355 ( 4236 PWs) bands (ev): -12.6851 -12.6851 -12.6851 -12.6851 -12.6548 -12.6548 -12.6548 -12.6548 -9.9190 -9.9190 -9.9190 -9.9190 -9.8918 -9.8918 -9.8918 -9.8918 -1.0951 -1.0951 -1.0951 -1.0951 -0.8725 -0.8725 -0.8725 -0.8725 1.0999 1.0999 1.0999 1.0999 1.3739 1.3739 1.3739 1.3739 2.1383 2.1383 2.1383 2.1383 2.5307 2.5307 2.5307 2.5307 3.1279 3.1279 3.1279 3.1279 3.4727 3.4727 3.4727 3.4727 4.2636 4.2636 4.2636 4.2636 4.9515 4.9515 4.9515 4.9515 5.2705 5.2705 5.2705 5.2705 5.8901 5.8901 5.8901 5.8901 16.3973 16.3973 16.3973 16.3973 16.9825 16.9825 16.9825 16.9825 17.4399 17.4399 17.4399 17.4399 k = 0.5000-0.0000 0.0266 ( 4244 PWs) bands (ev): -12.6856 -12.6856 -12.6856 -12.6856 -12.6543 -12.6543 -12.6543 -12.6543 -9.9194 -9.9194 -9.9194 -9.9194 -9.8914 -9.8914 -9.8914 -9.8914 -1.0984 -1.0984 -1.0984 -1.0984 -0.8687 -0.8687 -0.8687 -0.8687 1.0968 1.0968 1.0968 1.0968 1.3803 1.3803 1.3803 1.3803 2.1314 2.1314 2.1314 2.1314 2.5300 2.5300 2.5300 2.5300 3.1323 3.1323 3.1323 3.1323 3.4797 3.4797 3.4797 3.4797 4.2477 4.2477 4.2477 4.2477 4.9605 4.9605 4.9605 4.9605 5.2612 5.2612 5.2612 5.2612 5.8999 5.8999 5.8999 5.8999 16.3785 16.3785 16.3785 16.3785 16.9662 16.9662 16.9662 16.9662 17.4447 17.4447 17.4447 17.4447 k = 0.5000-0.0000 0.0178 ( 4236 PWs) bands (ev): -12.6859 -12.6859 -12.6859 -12.6859 -12.6539 -12.6539 -12.6539 -12.6539 -9.9197 -9.9197 -9.9197 -9.9197 -9.8911 -9.8911 -9.8911 -9.8911 -1.1007 -1.1007 -1.1007 -1.1007 -0.8660 -0.8660 -0.8660 -0.8660 1.0946 1.0946 1.0946 1.0946 1.3851 1.3851 1.3851 1.3851 2.1265 2.1265 2.1265 2.1265 2.5291 2.5291 2.5291 2.5291 3.1361 3.1361 3.1361 3.1361 3.4848 3.4848 3.4848 3.4848 4.2359 4.2359 4.2359 4.2359 4.9671 4.9671 4.9671 4.9671 5.2545 5.2545 5.2545 5.2545 5.9070 5.9070 5.9070 5.9070 16.3650 16.3650 16.3650 16.3650 16.9545 16.9545 16.9545 16.9545 17.4475 17.4475 17.4475 17.4475 k = 0.5000-0.0000 0.0089 ( 4240 PWs) bands (ev): -12.6862 -12.6862 -12.6862 -12.6862 -12.6537 -12.6537 -12.6537 -12.6537 -9.9199 -9.9199 -9.9199 -9.9199 -9.8909 -9.8909 -9.8909 -9.8909 -1.1021 -1.1021 -1.1021 -1.1021 -0.8643 -0.8643 -0.8643 -0.8643 1.0933 1.0933 1.0933 1.0933 1.3879 1.3879 1.3879 1.3879 2.1235 2.1235 2.1235 2.1235 2.5284 2.5284 2.5284 2.5284 3.1385 3.1385 3.1385 3.1385 3.4878 3.4878 3.4878 3.4878 4.2287 4.2287 4.2287 4.2287 4.9710 4.9710 4.9710 4.9710 5.2504 5.2504 5.2504 5.2504 5.9113 5.9113 5.9113 5.9113 16.3568 16.3568 16.3568 16.3568 16.9475 16.9475 16.9475 16.9475 17.4490 17.4490 17.4490 17.4490 k = 0.5000-0.0000-0.0000 ( 4240 PWs) bands (ev): -12.6862 -12.6862 -12.6862 -12.6862 -12.6536 -12.6536 -12.6536 -12.6536 -9.9200 -9.9200 -9.9200 -9.9200 -9.8909 -9.8909 -9.8909 -9.8909 -1.1026 -1.1026 -1.1026 -1.1026 -0.8638 -0.8638 -0.8638 -0.8638 1.0928 1.0928 1.0928 1.0928 1.3889 1.3889 1.3889 1.3889 2.1225 2.1225 2.1225 2.1225 2.5281 2.5281 2.5281 2.5281 3.1394 3.1394 3.1394 3.1394 3.4888 3.4888 3.4888 3.4888 4.2263 4.2263 4.2263 4.2263 4.9723 4.9723 4.9723 4.9723 5.2491 5.2491 5.2491 5.2491 5.9128 5.9128 5.9128 5.9128 16.3541 16.3541 16.3541 16.3541 16.9451 16.9451 16.9451 16.9451 17.4494 17.4494 17.4494 17.4494 k = 0.5000 0.3248-0.0000 ( 4264 PWs) bands (ev): -12.5668 -12.5668 -12.5668 -12.5668 -12.5500 -12.5500 -12.5500 -12.5500 -10.0929 -10.0929 -10.0929 -10.0929 -10.0646 -10.0646 -10.0646 -10.0646 -1.0951 -1.0951 -1.0951 -1.0951 -0.9069 -0.9069 -0.9069 -0.9069 0.7151 0.7151 0.7151 0.7151 1.3166 1.3166 1.3166 1.3166 2.2606 2.2606 2.2606 2.2606 2.4511 2.4511 2.4511 2.4511 2.8887 2.8887 2.8887 2.8887 4.1412 4.1412 4.1412 4.1412 4.5660 4.5660 4.5660 4.5660 4.9478 4.9478 4.9478 4.9478 5.6400 5.6400 5.6400 5.6400 5.8327 5.8327 5.8327 5.8327 16.2648 16.2648 16.2648 16.2648 16.7952 16.7952 16.7952 16.7952 17.5629 17.5629 17.5629 17.5629 k = 0.5000 0.3248 0.0089 ( 4272 PWs) bands (ev): -12.5667 -12.5667 -12.5667 -12.5667 -12.5500 -12.5500 -12.5500 -12.5500 -10.0929 -10.0929 -10.0929 -10.0929 -10.0646 -10.0646 -10.0646 -10.0646 -1.0946 -1.0946 -1.0946 -1.0946 -0.9072 -0.9072 -0.9072 -0.9072 0.7156 0.7156 0.7156 0.7156 1.3137 1.3137 1.3137 1.3137 2.2615 2.2615 2.2615 2.2615 2.4525 2.4525 2.4525 2.4525 2.8909 2.8909 2.8909 2.8909 4.1381 4.1381 4.1381 4.1381 4.5672 4.5672 4.5672 4.5672 4.9470 4.9470 4.9470 4.9470 5.6406 5.6406 5.6406 5.6406 5.8324 5.8324 5.8324 5.8324 16.2671 16.2671 16.2671 16.2671 16.7965 16.7965 16.7965 16.7965 17.5616 17.5616 17.5616 17.5616 k = 0.5000 0.3248 0.0178 ( 4268 PWs) bands (ev): -12.5666 -12.5666 -12.5666 -12.5666 -12.5501 -12.5501 -12.5501 -12.5501 -10.0927 -10.0927 -10.0927 -10.0927 -10.0648 -10.0648 -10.0648 -10.0648 -1.0932 -1.0932 -1.0932 -1.0932 -0.9081 -0.9081 -0.9081 -0.9081 0.7169 0.7169 0.7169 0.7169 1.3052 1.3052 1.3052 1.3052 2.2641 2.2641 2.2641 2.2641 2.4565 2.4565 2.4565 2.4565 2.8975 2.8975 2.8975 2.8975 4.1290 4.1290 4.1290 4.1290 4.5707 4.5707 4.5707 4.5707 4.9448 4.9448 4.9448 4.9448 5.6425 5.6425 5.6425 5.6425 5.8315 5.8315 5.8315 5.8315 16.2741 16.2741 16.2741 16.2741 16.8004 16.8004 16.8004 16.8004 17.5577 17.5577 17.5577 17.5577 k = 0.5000 0.3248 0.0266 ( 4268 PWs) bands (ev): -12.5664 -12.5664 -12.5664 -12.5664 -12.5503 -12.5503 -12.5503 -12.5503 -10.0924 -10.0924 -10.0924 -10.0924 -10.0651 -10.0651 -10.0651 -10.0651 -1.0909 -1.0909 -1.0909 -1.0909 -0.9096 -0.9096 -0.9096 -0.9096 0.7192 0.7192 0.7192 0.7192 1.2916 1.2916 1.2916 1.2916 2.2685 2.2685 2.2685 2.2685 2.4624 2.4624 2.4624 2.4624 2.9086 2.9086 2.9086 2.9086 4.1140 4.1140 4.1140 4.1140 4.5763 4.5763 4.5763 4.5763 4.9411 4.9411 4.9411 4.9411 5.6455 5.6455 5.6455 5.6455 5.8299 5.8299 5.8299 5.8299 16.2856 16.2856 16.2856 16.2856 16.8068 16.8068 16.8068 16.8068 17.5513 17.5513 17.5513 17.5513 k = 0.5000 0.3248 0.0355 ( 4264 PWs) bands (ev): -12.5662 -12.5662 -12.5662 -12.5662 -12.5506 -12.5506 -12.5506 -12.5506 -10.0920 -10.0920 -10.0920 -10.0920 -10.0655 -10.0655 -10.0655 -10.0655 -1.0877 -1.0877 -1.0877 -1.0877 -0.9117 -0.9117 -0.9117 -0.9117 0.7224 0.7224 0.7224 0.7224 1.2732 1.2732 1.2732 1.2732 2.2745 2.2745 2.2745 2.2745 2.4695 2.4695 2.4695 2.4695 2.9246 2.9246 2.9246 2.9246 4.0936 4.0936 4.0936 4.0936 4.5838 4.5838 4.5838 4.5838 4.9359 4.9359 4.9359 4.9359 5.6497 5.6497 5.6497 5.6497 5.8278 5.8278 5.8278 5.8278 16.3016 16.3016 16.3016 16.3016 16.8157 16.8157 16.8157 16.8157 17.5422 17.5422 17.5422 17.5422 k = 0.5000 0.3248 0.0444 ( 4272 PWs) bands (ev): -12.5659 -12.5659 -12.5659 -12.5659 -12.5509 -12.5509 -12.5509 -12.5509 -10.0915 -10.0915 -10.0915 -10.0915 -10.0661 -10.0661 -10.0661 -10.0661 -1.0837 -1.0837 -1.0837 -1.0837 -0.9144 -0.9144 -0.9144 -0.9144 0.7268 0.7268 0.7268 0.7268 1.2509 1.2509 1.2509 1.2509 2.2821 2.2821 2.2821 2.2821 2.4768 2.4768 2.4768 2.4768 2.9458 2.9458 2.9458 2.9458 4.0681 4.0681 4.0681 4.0681 4.5930 4.5930 4.5930 4.5930 4.9293 4.9293 4.9293 4.9293 5.6548 5.6548 5.6548 5.6548 5.8250 5.8250 5.8250 5.8250 16.3221 16.3221 16.3221 16.3221 16.8267 16.8267 16.8267 16.8267 17.5307 17.5307 17.5307 17.5307 k = 0.5000 0.3248 0.0533 ( 4272 PWs) bands (ev): -12.5655 -12.5655 -12.5655 -12.5655 -12.5513 -12.5513 -12.5513 -12.5513 -10.0908 -10.0908 -10.0908 -10.0908 -10.0667 -10.0667 -10.0667 -10.0667 -1.0788 -1.0788 -1.0788 -1.0788 -0.9178 -0.9178 -0.9178 -0.9178 0.7323 0.7323 0.7323 0.7323 1.2253 1.2253 1.2253 1.2253 2.2911 2.2911 2.2911 2.2911 2.4834 2.4834 2.4834 2.4834 2.9722 2.9722 2.9722 2.9722 4.0380 4.0380 4.0380 4.0380 4.6035 4.6035 4.6035 4.6035 4.9213 4.9213 4.9213 4.9213 5.6609 5.6609 5.6609 5.6609 5.8216 5.8216 5.8216 5.8216 16.3467 16.3467 16.3467 16.3467 16.8396 16.8396 16.8396 16.8396 17.5166 17.5166 17.5166 17.5166 k = 0.5000 0.3248 0.0621 ( 4268 PWs) bands (ev): -12.5651 -12.5651 -12.5651 -12.5651 -12.5517 -12.5517 -12.5517 -12.5517 -10.0901 -10.0901 -10.0901 -10.0901 -10.0674 -10.0674 -10.0674 -10.0674 -1.0732 -1.0732 -1.0732 -1.0732 -0.9217 -0.9217 -0.9217 -0.9217 0.7390 0.7390 0.7390 0.7390 1.1972 1.1972 1.1972 1.1972 2.3013 2.3013 2.3013 2.3013 2.4886 2.4886 2.4886 2.4886 3.0039 3.0039 3.0039 3.0039 4.0037 4.0037 4.0037 4.0037 4.6153 4.6153 4.6153 4.6153 4.9121 4.9121 4.9121 4.9121 5.6677 5.6677 5.6677 5.6677 5.8177 5.8177 5.8177 5.8177 16.3754 16.3754 16.3754 16.3754 16.8540 16.8540 16.8540 16.8540 17.4895 17.4895 17.4895 17.4895 k = 0.5000 0.3248 0.0710 ( 4260 PWs) bands (ev): -12.5646 -12.5646 -12.5646 -12.5646 -12.5522 -12.5522 -12.5522 -12.5522 -10.0892 -10.0892 -10.0892 -10.0892 -10.0683 -10.0683 -10.0683 -10.0683 -1.0669 -1.0669 -1.0669 -1.0669 -0.9263 -0.9263 -0.9263 -0.9263 0.7472 0.7472 0.7472 0.7472 1.1673 1.1673 1.1673 1.1673 2.3127 2.3127 2.3127 2.3127 2.4918 2.4918 2.4918 2.4918 3.0406 3.0406 3.0406 3.0406 3.9655 3.9655 3.9655 3.9655 4.6281 4.6281 4.6281 4.6281 4.9016 4.9016 4.9016 4.9016 5.6751 5.6751 5.6751 5.6751 5.8133 5.8133 5.8133 5.8133 16.4079 16.4079 16.4079 16.4079 16.8694 16.8694 16.8694 16.8694 17.4499 17.4499 17.4499 17.4499 k = 0.5000 0.3248 0.0799 ( 4260 PWs) bands (ev): -12.5640 -12.5640 -12.5640 -12.5640 -12.5527 -12.5527 -12.5527 -12.5527 -10.0883 -10.0883 -10.0883 -10.0883 -10.0692 -10.0692 -10.0692 -10.0692 -1.0600 -1.0600 -1.0600 -1.0600 -0.9315 -0.9315 -0.9315 -0.9315 0.7569 0.7569 0.7569 0.7569 1.1362 1.1362 1.1362 1.1362 2.3249 2.3249 2.3249 2.3249 2.4929 2.4929 2.4929 2.4929 3.0819 3.0819 3.0819 3.0819 3.9239 3.9239 3.9239 3.9239 4.6417 4.6417 4.6417 4.6417 4.8900 4.8900 4.8900 4.8900 5.6831 5.6831 5.6831 5.6831 5.8084 5.8084 5.8084 5.8084 16.4439 16.4439 16.4439 16.4439 16.8849 16.8849 16.8849 16.8849 17.4087 17.4087 17.4087 17.4087 k = 0.5000 0.3248 0.0888 ( 4272 PWs) bands (ev): -12.5634 -12.5634 -12.5634 -12.5634 -12.5533 -12.5533 -12.5533 -12.5533 -10.0873 -10.0873 -10.0873 -10.0873 -10.0702 -10.0702 -10.0702 -10.0702 -1.0525 -1.0525 -1.0525 -1.0525 -0.9373 -0.9373 -0.9373 -0.9373 0.7682 0.7682 0.7682 0.7682 1.1045 1.1045 1.1045 1.1045 2.3380 2.3380 2.3380 2.3380 2.4917 2.4917 2.4917 2.4917 3.1273 3.1273 3.1273 3.1273 3.8791 3.8791 3.8791 3.8791 4.6560 4.6560 4.6560 4.6560 4.8774 4.8774 4.8774 4.8774 5.6914 5.6914 5.6914 5.6914 5.8029 5.8029 5.8029 5.8029 16.4832 16.4832 16.4832 16.4832 16.8994 16.8994 16.8994 16.8994 17.3673 17.3673 17.3673 17.3673 k = 0.5000 0.3248 0.0977 ( 4268 PWs) bands (ev): -12.5628 -12.5628 -12.5628 -12.5628 -12.5540 -12.5540 -12.5540 -12.5540 -10.0863 -10.0863 -10.0863 -10.0863 -10.0713 -10.0713 -10.0713 -10.0713 -1.0445 -1.0445 -1.0445 -1.0445 -0.9437 -0.9437 -0.9437 -0.9437 0.7813 0.7813 0.7813 0.7813 1.0726 1.0726 1.0726 1.0726 2.3516 2.3516 2.3516 2.3516 2.4884 2.4884 2.4884 2.4884 3.1761 3.1761 3.1761 3.1761 3.8316 3.8316 3.8316 3.8316 4.6711 4.6711 4.6711 4.6711 4.8639 4.8639 4.8639 4.8639 5.7001 5.7001 5.7001 5.7001 5.7970 5.7970 5.7970 5.7970 16.5253 16.5253 16.5253 16.5253 16.9113 16.9113 16.9113 16.9113 17.3280 17.3280 17.3280 17.3280 k = 0.5000 0.3248 0.1065 ( 4264 PWs) bands (ev): -12.5621 -12.5621 -12.5621 -12.5621 -12.5547 -12.5547 -12.5547 -12.5547 -10.0851 -10.0851 -10.0851 -10.0851 -10.0724 -10.0724 -10.0724 -10.0724 -1.0361 -1.0361 -1.0361 -1.0361 -0.9506 -0.9506 -0.9506 -0.9506 0.7961 0.7961 0.7961 0.7961 1.0410 1.0410 1.0410 1.0410 2.3655 2.3655 2.3655 2.3655 2.4832 2.4832 2.4832 2.4832 3.2276 3.2276 3.2276 3.2276 3.7817 3.7817 3.7817 3.7817 4.6866 4.6866 4.6866 4.6866 4.8495 4.8495 4.8495 4.8495 5.7088 5.7088 5.7088 5.7088 5.7907 5.7907 5.7907 5.7907 16.5699 16.5699 16.5699 16.5699 16.9180 16.9180 16.9180 16.9180 17.2934 17.2934 17.2934 17.2934 k = 0.5000 0.3248 0.1154 ( 4272 PWs) bands (ev): -12.5614 -12.5614 -12.5614 -12.5614 -12.5554 -12.5554 -12.5554 -12.5554 -10.0839 -10.0839 -10.0839 -10.0839 -10.0736 -10.0736 -10.0736 -10.0736 -1.0274 -1.0274 -1.0274 -1.0274 -0.9580 -0.9580 -0.9580 -0.9580 0.8127 0.8127 0.8127 0.8127 1.0100 1.0100 1.0100 1.0100 2.3797 2.3797 2.3797 2.3797 2.4761 2.4761 2.4761 2.4761 3.2814 3.2814 3.2814 3.2814 3.7297 3.7297 3.7297 3.7297 4.7026 4.7026 4.7026 4.7026 4.8344 4.8344 4.8344 4.8344 5.7177 5.7177 5.7177 5.7177 5.7839 5.7839 5.7839 5.7839 16.6164 16.6164 16.6164 16.6164 16.9166 16.9166 16.9166 16.9166 17.2668 17.2668 17.2668 17.2668 k = 0.5000 0.3248 0.1243 ( 4268 PWs) bands (ev): -12.5607 -12.5607 -12.5607 -12.5607 -12.5561 -12.5561 -12.5561 -12.5561 -10.0827 -10.0827 -10.0827 -10.0827 -10.0748 -10.0748 -10.0748 -10.0748 -1.0185 -1.0185 -1.0185 -1.0185 -0.9659 -0.9659 -0.9659 -0.9659 0.8313 0.8313 0.8313 0.8313 0.9800 0.9800 0.9800 0.9800 2.3938 2.3938 2.3938 2.3938 2.4675 2.4675 2.4675 2.4675 3.3368 3.3368 3.3368 3.3368 3.6759 3.6759 3.6759 3.6759 4.7189 4.7189 4.7189 4.7189 4.8188 4.8188 4.8188 4.8188 5.7264 5.7264 5.7264 5.7264 5.7768 5.7768 5.7768 5.7768 16.6642 16.6642 16.6642 16.6642 16.9043 16.9043 16.9043 16.9043 17.2514 17.2514 17.2514 17.2514 k = 0.5000 0.3248 0.1332 ( 4260 PWs) bands (ev): -12.5599 -12.5599 -12.5599 -12.5599 -12.5568 -12.5568 -12.5568 -12.5568 -10.0815 -10.0815 -10.0815 -10.0815 -10.0761 -10.0761 -10.0761 -10.0761 -1.0095 -1.0095 -1.0095 -1.0095 -0.9741 -0.9741 -0.9741 -0.9741 0.8517 0.8517 0.8517 0.8517 0.9512 0.9512 0.9512 0.9512 2.4077 2.4077 2.4077 2.4077 2.4575 2.4575 2.4575 2.4575 3.3933 3.3933 3.3933 3.3933 3.6207 3.6207 3.6207 3.6207 4.7354 4.7354 4.7354 4.7354 4.8028 4.8028 4.8028 4.8028 5.7350 5.7350 5.7350 5.7350 5.7695 5.7695 5.7695 5.7695 16.7124 16.7124 16.7124 16.7124 16.8803 16.8803 16.8803 16.8803 17.2480 17.2480 17.2480 17.2480 k = 0.5000 0.3248 0.1421 ( 4264 PWs) bands (ev): -12.5592 -12.5592 -12.5592 -12.5592 -12.5576 -12.5576 -12.5576 -12.5576 -10.0802 -10.0802 -10.0802 -10.0802 -10.0773 -10.0773 -10.0773 -10.0773 -1.0005 -1.0005 -1.0005 -1.0005 -0.9827 -0.9827 -0.9827 -0.9827 0.8740 0.8740 0.8740 0.8740 0.9238 0.9238 0.9238 0.9238 2.4212 2.4212 2.4212 2.4212 2.4463 2.4463 2.4463 2.4463 3.4503 3.4503 3.4503 3.4503 3.5645 3.5645 3.5645 3.5645 4.7518 4.7518 4.7518 4.7518 4.7867 4.7867 4.7867 4.7867 5.7431 5.7431 5.7431 5.7431 5.7622 5.7622 5.7622 5.7622 16.7599 16.7599 16.7599 16.7599 16.8463 16.8463 16.8463 16.8463 17.2551 17.2551 17.2551 17.2551 k = 0.5000 0.3248 0.1509 ( 4256 PWs) bands (ev): -12.5585 -12.5585 -12.5585 -12.5585 -12.5583 -12.5583 -12.5583 -12.5583 -10.0794 -10.0794 -10.0794 -10.0794 -10.0781 -10.0781 -10.0781 -10.0781 -0.9917 -0.9917 -0.9917 -0.9917 -0.9912 -0.9912 -0.9912 -0.9912 0.8976 0.8976 0.8976 0.8976 0.8984 0.8984 0.8984 0.8984 2.4337 2.4337 2.4337 2.4337 2.4346 2.4346 2.4346 2.4346 3.5061 3.5061 3.5061 3.5061 3.5090 3.5090 3.5090 3.5090 4.7644 4.7644 4.7644 4.7644 4.7742 4.7742 4.7742 4.7742 5.7481 5.7481 5.7481 5.7481 5.7575 5.7575 5.7575 5.7575 16.8050 16.8050 16.8050 16.8050 16.8057 16.8057 16.8057 16.8057 17.2688 17.2688 17.2688 17.2688 Writing output data file AlHO2.save init_run : 0.21s CPU 0.37s WALL ( 1 calls) electrons : 478.99s CPU 485.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 478.97s CPU 485.08s 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 : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.14s WALL ( 452 calls) cegterg : 443.25s CPU 448.33s WALL ( 764 calls) Called by sum_band: Called by *egterg: h_psi : 170.09s CPU 173.08s WALL ( 13311 calls) s_psi : 64.93s CPU 64.95s WALL ( 13311 calls) g_psi : 0.50s CPU 0.54s WALL ( 12095 calls) cdiaghg : 185.78s CPU 188.02s WALL ( 12547 calls) cegterg:over : 18.22s CPU 18.18s WALL ( 12095 calls) cegterg:upda : 16.04s CPU 16.13s WALL ( 12095 calls) cegterg:last : 8.14s CPU 8.11s WALL ( 1890 calls) cdiaghg:chol : 11.05s CPU 10.93s WALL ( 12547 calls) cdiaghg:inve : 8.16s CPU 8.12s WALL ( 12547 calls) cdiaghg:para : 14.39s CPU 14.41s WALL ( 25094 calls) Called by h_psi: h_psi:vloc : 125.54s CPU 128.17s WALL ( 13311 calls) h_psi:vnl : 43.97s CPU 44.36s WALL ( 13311 calls) add_vuspsi : 23.76s CPU 23.71s WALL ( 13311 calls) General routines calbec : 20.12s CPU 20.62s WALL ( 13311 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.40s CPU 119.83s WALL ( 1769280 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.45s WALL ( 904 calls) Parallel routines fft_scatter : 46.80s CPU 47.53s WALL ( 1769303 calls) PWSCF : 8m29.45s CPU 8m57.63s WALL This run was terminated on: 19:39:34 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=