Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 23: 7:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KSiH3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 26 7 2382 1268 189 Max 41 27 8 2389 1297 198 Sum 2931 1931 539 171727 92545 13925 bravais-lattice index = 14 lattice parameter (alat) = 10.2348 a.u. unit-cell volume = 2194.4880 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.234756 celldm(2)= 1.259786 celldm(3)= 1.624815 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 1.259786 0.000000 ) a(3) = ( 0.000000 0.000000 1.624815 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.793786 -0.000000 ) b(3) = ( 0.000000 0.000000 0.615455 ) PseudoPot. # 1 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. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 H 1.00 1.00790 H( 1.00) K 9.00 39.09830 K( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.6298929 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8124077 ) 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 ) ( 0.6298929 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8124077 ) 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 ) ( 0.6298929 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8124077 ) 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 ) ( 0.6298929 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8124077 ) 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= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 7) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 8) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0033333 k( 9) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0033333 k( 10) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 13) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 14) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0033333 k( 15) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0033333 k( 16) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033333 k( 17) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 19) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 20) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0033333 k( 21) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0033333 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0033333 k( 23) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 24) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 25) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 26) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0033333 k( 27) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0033333 k( 28) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0033333 k( 29) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 32) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 33) = ( 0.5000000 0.0165372 -0.0000000), wk = 0.0033333 k( 34) = ( 0.5000000 0.0330744 -0.0000000), wk = 0.0033333 k( 35) = ( 0.5000000 0.0496116 -0.0000000), wk = 0.0033333 k( 36) = ( 0.5000000 0.0661488 -0.0000000), wk = 0.0033333 k( 37) = ( 0.5000000 0.0826860 -0.0000000), wk = 0.0033333 k( 38) = ( 0.5000000 0.0992232 -0.0000000), wk = 0.0033333 k( 39) = ( 0.5000000 0.1157604 -0.0000000), wk = 0.0033333 k( 40) = ( 0.5000000 0.1322976 -0.0000000), wk = 0.0033333 k( 41) = ( 0.5000000 0.1488348 -0.0000000), wk = 0.0033333 k( 42) = ( 0.5000000 0.1653720 -0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.1819092 -0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.1984464 -0.0000000), wk = 0.0033333 k( 45) = ( 0.5000000 0.2149836 -0.0000000), wk = 0.0033333 k( 46) = ( 0.5000000 0.2315208 -0.0000000), wk = 0.0033333 k( 47) = ( 0.5000000 0.2480580 -0.0000000), wk = 0.0033333 k( 48) = ( 0.5000000 0.2645952 -0.0000000), wk = 0.0033333 k( 49) = ( 0.5000000 0.2811324 -0.0000000), wk = 0.0033333 k( 50) = ( 0.5000000 0.2976696 -0.0000000), wk = 0.0033333 k( 51) = ( 0.5000000 0.3142068 -0.0000000), wk = 0.0033333 k( 52) = ( 0.5000000 0.3307441 -0.0000000), wk = 0.0033333 k( 53) = ( 0.5000000 0.3472813 -0.0000000), wk = 0.0033333 k( 54) = ( 0.5000000 0.3638185 -0.0000000), wk = 0.0033333 k( 55) = ( 0.5000000 0.3803557 -0.0000000), wk = 0.0033333 k( 56) = ( 0.5000000 0.3968929 -0.0000000), wk = 0.0033333 k( 57) = ( 0.5000000 0.3968929 -0.0000000), wk = 0.0033333 k( 58) = ( 0.4833333 0.3968929 -0.0000000), wk = 0.0033333 k( 59) = ( 0.4666667 0.3968929 -0.0000000), wk = 0.0033333 k( 60) = ( 0.4500000 0.3968929 -0.0000000), wk = 0.0033333 k( 61) = ( 0.4333333 0.3968929 -0.0000000), wk = 0.0033333 k( 62) = ( 0.4166667 0.3968929 -0.0000000), wk = 0.0033333 k( 63) = ( 0.4000000 0.3968929 -0.0000000), wk = 0.0033333 k( 64) = ( 0.3833333 0.3968929 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3666667 0.3968929 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3500000 0.3968929 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3333333 0.3968929 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3166667 0.3968929 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3000000 0.3968929 -0.0000000), wk = 0.0033333 k( 70) = ( 0.2833333 0.3968929 -0.0000000), wk = 0.0033333 k( 71) = ( 0.2666667 0.3968929 -0.0000000), wk = 0.0033333 k( 72) = ( 0.2500000 0.3968929 -0.0000000), wk = 0.0033333 k( 73) = ( 0.2333333 0.3968929 -0.0000000), wk = 0.0033333 k( 74) = ( 0.2166667 0.3968929 -0.0000000), wk = 0.0033333 k( 75) = ( 0.2000000 0.3968929 -0.0000000), wk = 0.0033333 k( 76) = ( 0.1833333 0.3968929 -0.0000000), wk = 0.0033333 k( 77) = ( 0.1666667 0.3968929 -0.0000000), wk = 0.0033333 k( 78) = ( 0.1500000 0.3968929 -0.0000000), wk = 0.0033333 k( 79) = ( 0.1333333 0.3968929 -0.0000000), wk = 0.0033333 k( 80) = ( 0.1166667 0.3968929 -0.0000000), wk = 0.0033333 k( 81) = ( 0.1000000 0.3968929 -0.0000000), wk = 0.0033333 k( 82) = ( 0.0833333 0.3968929 -0.0000000), wk = 0.0033333 k( 83) = ( 0.0666667 0.3968929 -0.0000000), wk = 0.0033333 k( 84) = ( 0.0500000 0.3968929 -0.0000000), wk = 0.0033333 k( 85) = ( 0.0333333 0.3968929 -0.0000000), wk = 0.0033333 k( 86) = ( 0.0166667 0.3968929 -0.0000000), wk = 0.0033333 k( 87) = ( 0.0000000 0.3968929 -0.0000000), wk = 0.0033333 k( 88) = ( 0.0000000 0.3968929 -0.0000000), wk = 0.0033333 k( 89) = ( 0.0000000 0.3803557 -0.0000000), wk = 0.0033333 k( 90) = ( 0.0000000 0.3638185 -0.0000000), wk = 0.0033333 k( 91) = ( 0.0000000 0.3472813 -0.0000000), wk = 0.0033333 k( 92) = ( 0.0000000 0.3307441 -0.0000000), wk = 0.0033333 k( 93) = ( 0.0000000 0.3142068 -0.0000000), wk = 0.0033333 k( 94) = ( 0.0000000 0.2976696 -0.0000000), wk = 0.0033333 k( 95) = ( 0.0000000 0.2811324 -0.0000000), wk = 0.0033333 k( 96) = ( 0.0000000 0.2645952 -0.0000000), wk = 0.0033333 k( 97) = ( 0.0000000 0.2480580 -0.0000000), wk = 0.0033333 k( 98) = ( 0.0000000 0.2315208 -0.0000000), wk = 0.0033333 k( 99) = ( 0.0000000 0.2149836 -0.0000000), wk = 0.0033333 k( 100) = ( 0.0000000 0.1984464 -0.0000000), wk = 0.0033333 k( 101) = ( 0.0000000 0.1819092 -0.0000000), wk = 0.0033333 k( 102) = ( 0.0000000 0.1653720 -0.0000000), wk = 0.0033333 k( 103) = ( 0.0000000 0.1488348 -0.0000000), wk = 0.0033333 k( 104) = ( 0.0000000 0.1322976 -0.0000000), wk = 0.0033333 k( 105) = ( 0.0000000 0.1157604 -0.0000000), wk = 0.0033333 k( 106) = ( 0.0000000 0.0992232 -0.0000000), wk = 0.0033333 k( 107) = ( 0.0000000 0.0826860 -0.0000000), wk = 0.0033333 k( 108) = ( 0.0000000 0.0661488 -0.0000000), wk = 0.0033333 k( 109) = ( 0.0000000 0.0496116 -0.0000000), wk = 0.0033333 k( 110) = ( 0.0000000 0.0330744 -0.0000000), wk = 0.0033333 k( 111) = ( 0.0000000 0.0165372 -0.0000000), wk = 0.0033333 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 114) = ( 0.0000000 0.0000000 0.0170960), wk = 0.0033333 k( 115) = ( 0.0000000 0.0000000 0.0341919), wk = 0.0033333 k( 116) = ( 0.0000000 0.0000000 0.0512879), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.0683838), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.0854798), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.1025758), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.1196717), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.1367677), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.1538636), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.1709596), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.1880556), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.2051515), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.2222475), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.2393434), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.2564394), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.2735354), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.2906313), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.3077273), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.3077273), wk = 0.0033333 k( 133) = ( 0.0166667 -0.0000000 0.3077273), wk = 0.0033333 k( 134) = ( 0.0333333 -0.0000000 0.3077273), wk = 0.0033333 k( 135) = ( 0.0500000 -0.0000000 0.3077273), wk = 0.0033333 k( 136) = ( 0.0666667 -0.0000000 0.3077273), wk = 0.0033333 k( 137) = ( 0.0833333 -0.0000000 0.3077273), wk = 0.0033333 k( 138) = ( 0.1000000 -0.0000000 0.3077273), wk = 0.0033333 k( 139) = ( 0.1166667 -0.0000000 0.3077273), wk = 0.0033333 k( 140) = ( 0.1333333 -0.0000000 0.3077273), wk = 0.0033333 k( 141) = ( 0.1500000 -0.0000000 0.3077273), wk = 0.0033333 k( 142) = ( 0.1666667 -0.0000000 0.3077273), wk = 0.0033333 k( 143) = ( 0.1833333 -0.0000000 0.3077273), wk = 0.0033333 k( 144) = ( 0.2000000 -0.0000000 0.3077273), wk = 0.0033333 k( 145) = ( 0.2166667 -0.0000000 0.3077273), wk = 0.0033333 k( 146) = ( 0.2333333 -0.0000000 0.3077273), wk = 0.0033333 k( 147) = ( 0.2500000 -0.0000000 0.3077273), wk = 0.0033333 k( 148) = ( 0.2666667 -0.0000000 0.3077273), wk = 0.0033333 k( 149) = ( 0.2833333 -0.0000000 0.3077273), wk = 0.0033333 k( 150) = ( 0.3000000 -0.0000000 0.3077273), wk = 0.0033333 k( 151) = ( 0.3166667 -0.0000000 0.3077273), wk = 0.0033333 k( 152) = ( 0.3333333 -0.0000000 0.3077273), wk = 0.0033333 k( 153) = ( 0.3500000 -0.0000000 0.3077273), wk = 0.0033333 k( 154) = ( 0.3666667 -0.0000000 0.3077273), wk = 0.0033333 k( 155) = ( 0.3833333 -0.0000000 0.3077273), wk = 0.0033333 k( 156) = ( 0.4000000 -0.0000000 0.3077273), wk = 0.0033333 k( 157) = ( 0.4166667 -0.0000000 0.3077273), wk = 0.0033333 k( 158) = ( 0.4333333 -0.0000000 0.3077273), wk = 0.0033333 k( 159) = ( 0.4500000 -0.0000000 0.3077273), wk = 0.0033333 k( 160) = ( 0.4666667 -0.0000000 0.3077273), wk = 0.0033333 k( 161) = ( 0.4833333 -0.0000000 0.3077273), wk = 0.0033333 k( 162) = ( 0.5000000 -0.0000000 0.3077273), wk = 0.0033333 k( 163) = ( 0.5000000 -0.0000000 0.3077273), wk = 0.0033333 k( 164) = ( 0.5000000 0.0165372 0.3077273), wk = 0.0033333 k( 165) = ( 0.5000000 0.0330744 0.3077273), wk = 0.0033333 k( 166) = ( 0.5000000 0.0496116 0.3077273), wk = 0.0033333 k( 167) = ( 0.5000000 0.0661488 0.3077273), wk = 0.0033333 k( 168) = ( 0.5000000 0.0826860 0.3077273), wk = 0.0033333 k( 169) = ( 0.5000000 0.0992232 0.3077273), wk = 0.0033333 k( 170) = ( 0.5000000 0.1157604 0.3077273), wk = 0.0033333 k( 171) = ( 0.5000000 0.1322976 0.3077273), wk = 0.0033333 k( 172) = ( 0.5000000 0.1488348 0.3077273), wk = 0.0033333 k( 173) = ( 0.5000000 0.1653720 0.3077273), wk = 0.0033333 k( 174) = ( 0.5000000 0.1819092 0.3077273), wk = 0.0033333 k( 175) = ( 0.5000000 0.1984464 0.3077273), wk = 0.0033333 k( 176) = ( 0.5000000 0.2149836 0.3077273), wk = 0.0033333 k( 177) = ( 0.5000000 0.2315208 0.3077273), wk = 0.0033333 k( 178) = ( 0.5000000 0.2480580 0.3077273), wk = 0.0033333 k( 179) = ( 0.5000000 0.2645952 0.3077273), wk = 0.0033333 k( 180) = ( 0.5000000 0.2811324 0.3077273), wk = 0.0033333 k( 181) = ( 0.5000000 0.2976696 0.3077273), wk = 0.0033333 k( 182) = ( 0.5000000 0.3142068 0.3077273), wk = 0.0033333 k( 183) = ( 0.5000000 0.3307441 0.3077273), wk = 0.0033333 k( 184) = ( 0.5000000 0.3472813 0.3077273), wk = 0.0033333 k( 185) = ( 0.5000000 0.3638185 0.3077273), wk = 0.0033333 k( 186) = ( 0.5000000 0.3803557 0.3077273), wk = 0.0033333 k( 187) = ( 0.5000000 0.3968929 0.3077273), wk = 0.0033333 k( 188) = ( 0.5000000 0.3968929 0.3077273), wk = 0.0033333 k( 189) = ( 0.4833333 0.3968929 0.3077273), wk = 0.0033333 k( 190) = ( 0.4666667 0.3968929 0.3077273), wk = 0.0033333 k( 191) = ( 0.4500000 0.3968929 0.3077273), wk = 0.0033333 k( 192) = ( 0.4333333 0.3968929 0.3077273), wk = 0.0033333 k( 193) = ( 0.4166667 0.3968929 0.3077273), wk = 0.0033333 k( 194) = ( 0.4000000 0.3968929 0.3077273), wk = 0.0033333 k( 195) = ( 0.3833333 0.3968929 0.3077273), wk = 0.0033333 k( 196) = ( 0.3666667 0.3968929 0.3077273), wk = 0.0033333 k( 197) = ( 0.3500000 0.3968929 0.3077273), wk = 0.0033333 k( 198) = ( 0.3333333 0.3968929 0.3077273), wk = 0.0033333 k( 199) = ( 0.3166667 0.3968929 0.3077273), wk = 0.0033333 k( 200) = ( 0.3000000 0.3968929 0.3077273), wk = 0.0033333 k( 201) = ( 0.2833333 0.3968929 0.3077273), wk = 0.0033333 k( 202) = ( 0.2666667 0.3968929 0.3077273), wk = 0.0033333 k( 203) = ( 0.2500000 0.3968929 0.3077273), wk = 0.0033333 k( 204) = ( 0.2333333 0.3968929 0.3077273), wk = 0.0033333 k( 205) = ( 0.2166667 0.3968929 0.3077273), wk = 0.0033333 k( 206) = ( 0.2000000 0.3968929 0.3077273), wk = 0.0033333 k( 207) = ( 0.1833333 0.3968929 0.3077273), wk = 0.0033333 k( 208) = ( 0.1666667 0.3968929 0.3077273), wk = 0.0033333 k( 209) = ( 0.1500000 0.3968929 0.3077273), wk = 0.0033333 k( 210) = ( 0.1333333 0.3968929 0.3077273), wk = 0.0033333 k( 211) = ( 0.1166667 0.3968929 0.3077273), wk = 0.0033333 k( 212) = ( 0.1000000 0.3968929 0.3077273), wk = 0.0033333 k( 213) = ( 0.0833333 0.3968929 0.3077273), wk = 0.0033333 k( 214) = ( 0.0666667 0.3968929 0.3077273), wk = 0.0033333 k( 215) = ( 0.0500000 0.3968929 0.3077273), wk = 0.0033333 k( 216) = ( 0.0333333 0.3968929 0.3077273), wk = 0.0033333 k( 217) = ( 0.0166667 0.3968929 0.3077273), wk = 0.0033333 k( 218) = ( 0.0000000 0.3968929 0.3077273), wk = 0.0033333 k( 219) = ( 0.0000000 0.3968929 0.3077273), wk = 0.0033333 k( 220) = ( 0.0000000 0.3803557 0.3077273), wk = 0.0033333 k( 221) = ( 0.0000000 0.3638185 0.3077273), wk = 0.0033333 k( 222) = ( 0.0000000 0.3472813 0.3077273), wk = 0.0033333 k( 223) = ( 0.0000000 0.3307441 0.3077273), wk = 0.0033333 k( 224) = ( 0.0000000 0.3142068 0.3077273), wk = 0.0033333 k( 225) = ( 0.0000000 0.2976696 0.3077273), wk = 0.0033333 k( 226) = ( 0.0000000 0.2811324 0.3077273), wk = 0.0033333 k( 227) = ( 0.0000000 0.2645952 0.3077273), wk = 0.0033333 k( 228) = ( 0.0000000 0.2480580 0.3077273), wk = 0.0033333 k( 229) = ( 0.0000000 0.2315208 0.3077273), wk = 0.0033333 k( 230) = ( 0.0000000 0.2149836 0.3077273), wk = 0.0033333 k( 231) = ( 0.0000000 0.1984464 0.3077273), wk = 0.0033333 k( 232) = ( 0.0000000 0.1819092 0.3077273), wk = 0.0033333 k( 233) = ( 0.0000000 0.1653720 0.3077273), wk = 0.0033333 k( 234) = ( 0.0000000 0.1488348 0.3077273), wk = 0.0033333 k( 235) = ( 0.0000000 0.1322976 0.3077273), wk = 0.0033333 k( 236) = ( 0.0000000 0.1157604 0.3077273), wk = 0.0033333 k( 237) = ( 0.0000000 0.0992232 0.3077273), wk = 0.0033333 k( 238) = ( 0.0000000 0.0826860 0.3077273), wk = 0.0033333 k( 239) = ( 0.0000000 0.0661488 0.3077273), wk = 0.0033333 k( 240) = ( 0.0000000 0.0496116 0.3077273), wk = 0.0033333 k( 241) = ( 0.0000000 0.0330744 0.3077273), wk = 0.0033333 k( 242) = ( 0.0000000 0.0165372 0.3077273), wk = 0.0033333 k( 243) = ( 0.0000000 0.0000000 0.3077273), wk = 0.0033333 k( 244) = ( 0.0000000 0.3968929 -0.0000000), wk = 0.0033333 k( 245) = ( 0.0000000 0.3968929 0.0170960), wk = 0.0033333 k( 246) = ( 0.0000000 0.3968929 0.0341919), wk = 0.0033333 k( 247) = ( 0.0000000 0.3968929 0.0512879), wk = 0.0033333 k( 248) = ( 0.0000000 0.3968929 0.0683838), wk = 0.0033333 k( 249) = ( 0.0000000 0.3968929 0.0854798), wk = 0.0033333 k( 250) = ( 0.0000000 0.3968929 0.1025758), wk = 0.0033333 k( 251) = ( 0.0000000 0.3968929 0.1196717), wk = 0.0033333 k( 252) = ( 0.0000000 0.3968929 0.1367677), wk = 0.0033333 k( 253) = ( 0.0000000 0.3968929 0.1538636), wk = 0.0033333 k( 254) = ( 0.0000000 0.3968929 0.1709596), wk = 0.0033333 k( 255) = ( 0.0000000 0.3968929 0.1880556), wk = 0.0033333 k( 256) = ( 0.0000000 0.3968929 0.2051515), wk = 0.0033333 k( 257) = ( 0.0000000 0.3968929 0.2222475), wk = 0.0033333 k( 258) = ( 0.0000000 0.3968929 0.2393434), wk = 0.0033333 k( 259) = ( 0.0000000 0.3968929 0.2564394), wk = 0.0033333 k( 260) = ( 0.0000000 0.3968929 0.2735354), wk = 0.0033333 k( 261) = ( 0.0000000 0.3968929 0.2906313), wk = 0.0033333 k( 262) = ( 0.0000000 0.3968929 0.3077273), wk = 0.0033333 k( 263) = ( 0.5000000 -0.0000000 0.3077273), wk = 0.0033333 k( 264) = ( 0.5000000 -0.0000000 0.2906313), wk = 0.0033333 k( 265) = ( 0.5000000 -0.0000000 0.2735354), wk = 0.0033333 k( 266) = ( 0.5000000 -0.0000000 0.2564394), wk = 0.0033333 k( 267) = ( 0.5000000 -0.0000000 0.2393434), wk = 0.0033333 k( 268) = ( 0.5000000 -0.0000000 0.2222475), wk = 0.0033333 k( 269) = ( 0.5000000 -0.0000000 0.2051515), wk = 0.0033333 k( 270) = ( 0.5000000 -0.0000000 0.1880556), wk = 0.0033333 k( 271) = ( 0.5000000 -0.0000000 0.1709596), wk = 0.0033333 k( 272) = ( 0.5000000 -0.0000000 0.1538636), wk = 0.0033333 k( 273) = ( 0.5000000 -0.0000000 0.1367677), wk = 0.0033333 k( 274) = ( 0.5000000 -0.0000000 0.1196717), wk = 0.0033333 k( 275) = ( 0.5000000 -0.0000000 0.1025758), wk = 0.0033333 k( 276) = ( 0.5000000 -0.0000000 0.0854798), wk = 0.0033333 k( 277) = ( 0.5000000 -0.0000000 0.0683838), wk = 0.0033333 k( 278) = ( 0.5000000 -0.0000000 0.0512879), wk = 0.0033333 k( 279) = ( 0.5000000 -0.0000000 0.0341919), wk = 0.0033333 k( 280) = ( 0.5000000 -0.0000000 0.0170960), wk = 0.0033333 k( 281) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 282) = ( 0.5000000 0.3968929 -0.0000000), wk = 0.0033333 k( 283) = ( 0.5000000 0.3968929 0.0170960), wk = 0.0033333 k( 284) = ( 0.5000000 0.3968929 0.0341919), wk = 0.0033333 k( 285) = ( 0.5000000 0.3968929 0.0512879), wk = 0.0033333 k( 286) = ( 0.5000000 0.3968929 0.0683838), wk = 0.0033333 k( 287) = ( 0.5000000 0.3968929 0.0854798), wk = 0.0033333 k( 288) = ( 0.5000000 0.3968929 0.1025758), wk = 0.0033333 k( 289) = ( 0.5000000 0.3968929 0.1196717), wk = 0.0033333 k( 290) = ( 0.5000000 0.3968929 0.1367677), wk = 0.0033333 k( 291) = ( 0.5000000 0.3968929 0.1538636), wk = 0.0033333 k( 292) = ( 0.5000000 0.3968929 0.1709596), wk = 0.0033333 k( 293) = ( 0.5000000 0.3968929 0.1880556), wk = 0.0033333 k( 294) = ( 0.5000000 0.3968929 0.2051515), wk = 0.0033333 k( 295) = ( 0.5000000 0.3968929 0.2222475), wk = 0.0033333 k( 296) = ( 0.5000000 0.3968929 0.2393434), wk = 0.0033333 k( 297) = ( 0.5000000 0.3968929 0.2564394), wk = 0.0033333 k( 298) = ( 0.5000000 0.3968929 0.2735354), wk = 0.0033333 k( 299) = ( 0.5000000 0.3968929 0.2906313), wk = 0.0033333 k( 300) = ( 0.5000000 0.3968929 0.3077273), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0166667 -0.0000000 0.0000000), wk = 0.0033333 k( 3) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0033333 k( 4) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0033333 k( 5) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0033333 k( 6) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0033333 k( 7) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0033333 k( 8) = ( 0.1166667 -0.0000000 0.0000000), wk = 0.0033333 k( 9) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0033333 k( 10) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0033333 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1833333 -0.0000000 0.0000000), wk = 0.0033333 k( 13) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0033333 k( 14) = ( 0.2166667 -0.0000000 0.0000000), wk = 0.0033333 k( 15) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0033333 k( 16) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033333 k( 17) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 19) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0033333 k( 20) = ( 0.3166667 -0.0000000 0.0000000), wk = 0.0033333 k( 21) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0033333 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0033333 k( 23) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0033333 k( 24) = ( 0.3833333 -0.0000000 0.0000000), wk = 0.0033333 k( 25) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0033333 k( 26) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0033333 k( 27) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0033333 k( 28) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0033333 k( 29) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0033333 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 31) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 33) = ( 0.5000000 0.0208333 -0.0000000), wk = 0.0033333 k( 34) = ( 0.5000000 0.0416667 0.0000000), wk = 0.0033333 k( 35) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0033333 k( 36) = ( 0.5000000 0.0833333 -0.0000000), wk = 0.0033333 k( 37) = ( 0.5000000 0.1041667 0.0000000), wk = 0.0033333 k( 38) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0033333 k( 39) = ( 0.5000000 0.1458333 -0.0000000), wk = 0.0033333 k( 40) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0033333 k( 41) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0033333 k( 42) = ( 0.5000000 0.2083333 0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.2291667 0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0033333 k( 45) = ( 0.5000000 0.2708333 -0.0000000), wk = 0.0033333 k( 46) = ( 0.5000000 0.2916667 0.0000000), wk = 0.0033333 k( 47) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0033333 k( 48) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0033333 k( 49) = ( 0.5000000 0.3541667 -0.0000000), wk = 0.0033333 k( 50) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0033333 k( 51) = ( 0.5000000 0.3958333 0.0000000), wk = 0.0033333 k( 52) = ( 0.5000000 0.4166667 -0.0000000), wk = 0.0033333 k( 53) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0033333 k( 54) = ( 0.5000000 0.4583333 0.0000000), wk = 0.0033333 k( 55) = ( 0.5000000 0.4791667 0.0000000), wk = 0.0033333 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 58) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0033333 k( 59) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0033333 k( 60) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0033333 k( 61) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0033333 k( 62) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0033333 k( 63) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0033333 k( 64) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0033333 k( 66) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0033333 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0033333 k( 68) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0033333 k( 70) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0033333 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0033333 k( 72) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0033333 k( 73) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0033333 k( 74) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0033333 k( 75) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0033333 k( 76) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0033333 k( 77) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033333 k( 78) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0033333 k( 79) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0033333 k( 80) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0033333 k( 81) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0033333 k( 82) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0033333 k( 83) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0033333 k( 84) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0033333 k( 85) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0033333 k( 86) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0033333 k( 87) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 88) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 89) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0033333 k( 90) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0033333 k( 91) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0033333 k( 92) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0033333 k( 93) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0033333 k( 94) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0033333 k( 95) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0033333 k( 96) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0033333 k( 97) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0033333 k( 98) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0033333 k( 99) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0033333 k( 100) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0033333 k( 101) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0033333 k( 102) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0033333 k( 103) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0033333 k( 104) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033333 k( 105) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0033333 k( 106) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0033333 k( 107) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0033333 k( 108) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0033333 k( 109) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0033333 k( 110) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0033333 k( 111) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0033333 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 114) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033333 k( 115) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033333 k( 116) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 133) = ( 0.0166667 -0.0000000 0.5000000), wk = 0.0033333 k( 134) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0033333 k( 135) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0033333 k( 136) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0033333 k( 137) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033333 k( 138) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033333 k( 139) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0033333 k( 140) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0033333 k( 141) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0033333 k( 142) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033333 k( 143) = ( 0.1833333 -0.0000000 0.5000000), wk = 0.0033333 k( 144) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033333 k( 145) = ( 0.2166667 -0.0000000 0.5000000), wk = 0.0033333 k( 146) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0033333 k( 147) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033333 k( 148) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0033333 k( 149) = ( 0.2833333 -0.0000000 0.5000000), wk = 0.0033333 k( 150) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0033333 k( 151) = ( 0.3166667 -0.0000000 0.5000000), wk = 0.0033333 k( 152) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0033333 k( 153) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0033333 k( 154) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0033333 k( 155) = ( 0.3833333 -0.0000000 0.5000000), wk = 0.0033333 k( 156) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033333 k( 157) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033333 k( 158) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0033333 k( 159) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0033333 k( 160) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0033333 k( 161) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0033333 k( 162) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 164) = ( 0.5000000 0.0208333 0.5000000), wk = 0.0033333 k( 165) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0033333 k( 166) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0033333 k( 167) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0033333 k( 168) = ( 0.5000000 0.1041667 0.5000000), wk = 0.0033333 k( 169) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0033333 k( 170) = ( 0.5000000 0.1458333 0.5000000), wk = 0.0033333 k( 171) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0033333 k( 172) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0033333 k( 173) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0033333 k( 174) = ( 0.5000000 0.2291667 0.5000000), wk = 0.0033333 k( 175) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0033333 k( 176) = ( 0.5000000 0.2708333 0.5000000), wk = 0.0033333 k( 177) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0033333 k( 178) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0033333 k( 179) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0033333 k( 180) = ( 0.5000000 0.3541667 0.5000000), wk = 0.0033333 k( 181) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0033333 k( 182) = ( 0.5000000 0.3958333 0.5000000), wk = 0.0033333 k( 183) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0033333 k( 184) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0033333 k( 185) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0033333 k( 186) = ( 0.5000000 0.4791667 0.5000000), wk = 0.0033333 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 189) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0033333 k( 190) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0033333 k( 191) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0033333 k( 192) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0033333 k( 193) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0033333 k( 194) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0033333 k( 195) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0033333 k( 196) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0033333 k( 197) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0033333 k( 198) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0033333 k( 199) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0033333 k( 200) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0033333 k( 201) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0033333 k( 202) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0033333 k( 203) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0033333 k( 204) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0033333 k( 205) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0033333 k( 206) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0033333 k( 207) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0033333 k( 208) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0033333 k( 209) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0033333 k( 210) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0033333 k( 211) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0033333 k( 212) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0033333 k( 213) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0033333 k( 214) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0033333 k( 215) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0033333 k( 216) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0033333 k( 217) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0033333 k( 218) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033333 k( 219) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033333 k( 220) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0033333 k( 221) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0033333 k( 222) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0033333 k( 223) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0033333 k( 224) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0033333 k( 225) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0033333 k( 226) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0033333 k( 227) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0033333 k( 228) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0033333 k( 229) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0033333 k( 230) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0033333 k( 231) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0033333 k( 232) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0033333 k( 233) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0033333 k( 234) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0033333 k( 235) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0033333 k( 236) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0033333 k( 237) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0033333 k( 238) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0033333 k( 239) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0033333 k( 240) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0033333 k( 241) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0033333 k( 242) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0033333 k( 243) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 244) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 245) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0033333 k( 246) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0033333 k( 247) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0033333 k( 248) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0033333 k( 249) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0033333 k( 250) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0033333 k( 251) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0033333 k( 252) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0033333 k( 253) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033333 k( 254) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0033333 k( 255) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0033333 k( 256) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0033333 k( 257) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0033333 k( 258) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0033333 k( 259) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0033333 k( 260) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0033333 k( 261) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0033333 k( 262) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033333 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 264) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0033333 k( 265) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033333 k( 266) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033333 k( 267) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033333 k( 268) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0033333 k( 269) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033333 k( 270) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0033333 k( 271) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033333 k( 272) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033333 k( 273) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033333 k( 274) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0033333 k( 275) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033333 k( 276) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0033333 k( 277) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033333 k( 278) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033333 k( 279) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033333 k( 280) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0033333 k( 281) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 282) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 283) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0033333 k( 286) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0033333 k( 287) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0033333 k( 288) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033333 k( 289) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0033333 k( 290) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0033333 k( 291) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0033333 k( 292) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0033333 k( 293) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0033333 k( 294) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033333 k( 295) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0033333 k( 296) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0033333 k( 297) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0033333 k( 298) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0033333 k( 299) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0033333 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 Dense grid: 171727 G-vectors FFT dimensions: ( 60, 72, 90) Smooth grid: 92545 G-vectors FFT dimensions: ( 45, 60, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 316, 76) NL pseudopotentials 0.71 Mb ( 158, 296) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.02 Mb ( 2387) G-vector shells 0.01 Mb ( 1214) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 316, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.69 Mb ( 296, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KSiH3.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 10.4 secs Computing kpt #: 6 total cpu time spent up to now is 12.0 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 total cpu time spent up to now is 15.2 secs Computing kpt #: 9 total cpu time spent up to now is 16.9 secs Computing kpt #: 10 total cpu time spent up to now is 18.6 secs Computing kpt #: 11 total cpu time spent up to now is 20.1 secs Computing kpt #: 12 total cpu time spent up to now is 21.7 secs Computing kpt #: 13 total cpu time spent up to now is 23.4 secs Computing kpt #: 14 total cpu time spent up to now is 24.9 secs Computing kpt #: 15 total cpu time spent up to now is 26.5 secs Computing kpt #: 16 total cpu time spent up to now is 28.0 secs Computing kpt #: 17 total cpu time spent up to now is 29.3 secs Computing kpt #: 18 total cpu time spent up to now is 30.7 secs Computing kpt #: 19 total cpu time spent up to now is 32.2 secs Computing kpt #: 20 total cpu time spent up to now is 33.8 secs Computing kpt #: 21 total cpu time spent up to now is 35.4 secs Computing kpt #: 22 total cpu time spent up to now is 37.1 secs Computing kpt #: 23 total cpu time spent up to now is 38.7 secs Computing kpt #: 24 total cpu time spent up to now is 40.3 secs Computing kpt #: 25 total cpu time spent up to now is 41.9 secs Computing kpt #: 26 total cpu time spent up to now is 43.5 secs Computing kpt #: 27 total cpu time spent up to now is 45.2 secs Computing kpt #: 28 total cpu time spent up to now is 46.7 secs Computing kpt #: 29 total cpu time spent up to now is 48.4 secs Computing kpt #: 30 total cpu time spent up to now is 50.0 secs Computing kpt #: 31 total cpu time spent up to now is 51.7 secs Computing kpt #: 32 total cpu time spent up to now is 53.3 secs Computing kpt #: 33 total cpu time spent up to now is 54.9 secs Computing kpt #: 34 total cpu time spent up to now is 56.6 secs Computing kpt #: 35 total cpu time spent up to now is 58.3 secs Computing kpt #: 36 total cpu time spent up to now is 60.0 secs Computing kpt #: 37 total cpu time spent up to now is 61.7 secs Computing kpt #: 38 total cpu time spent up to now is 63.4 secs Computing kpt #: 39 total cpu time spent up to now is 65.0 secs Computing kpt #: 40 total cpu time spent up to now is 66.6 secs Computing kpt #: 41 total cpu time spent up to now is 68.1 secs Computing kpt #: 42 total cpu time spent up to now is 69.7 secs Computing kpt #: 43 total cpu time spent up to now is 71.3 secs Computing kpt #: 44 total cpu time spent up to now is 72.7 secs Computing kpt #: 45 total cpu time spent up to now is 74.1 secs Computing kpt #: 46 total cpu time spent up to now is 75.5 secs Computing kpt #: 47 total cpu time spent up to now is 76.9 secs Computing kpt #: 48 total cpu time spent up to now is 78.3 secs Computing kpt #: 49 total cpu time spent up to now is 79.7 secs Computing kpt #: 50 total cpu time spent up to now is 81.1 secs Computing kpt #: 51 total cpu time spent up to now is 82.7 secs Computing kpt #: 52 total cpu time spent up to now is 84.1 secs Computing kpt #: 53 total cpu time spent up to now is 85.5 secs Computing kpt #: 54 total cpu time spent up to now is 86.9 secs Computing kpt #: 55 total cpu time spent up to now is 88.3 secs Computing kpt #: 56 total cpu time spent up to now is 89.7 secs Computing kpt #: 57 total cpu time spent up to now is 91.1 secs Computing kpt #: 58 total cpu time spent up to now is 92.5 secs Computing kpt #: 59 total cpu time spent up to now is 94.0 secs Computing kpt #: 60 total cpu time spent up to now is 95.4 secs Computing kpt #: 61 total cpu time spent up to now is 96.9 secs Computing kpt #: 62 total cpu time spent up to now is 98.6 secs Computing kpt #: 63 total cpu time spent up to now is 100.3 secs Computing kpt #: 64 total cpu time spent up to now is 101.9 secs Computing kpt #: 65 total cpu time spent up to now is 103.6 secs Computing kpt #: 66 total cpu time spent up to now is 105.2 secs Computing kpt #: 67 total cpu time spent up to now is 106.7 secs Computing kpt #: 68 total cpu time spent up to now is 108.3 secs Computing kpt #: 69 total cpu time spent up to now is 110.0 secs Computing kpt #: 70 total cpu time spent up to now is 111.6 secs Computing kpt #: 71 total cpu time spent up to now is 113.2 secs Computing kpt #: 72 total cpu time spent up to now is 114.8 secs Computing kpt #: 73 total cpu time spent up to now is 116.4 secs Computing kpt #: 74 total cpu time spent up to now is 118.0 secs Computing kpt #: 75 total cpu time spent up to now is 119.6 secs Computing kpt #: 76 total cpu time spent up to now is 121.2 secs Computing kpt #: 77 total cpu time spent up to now is 122.8 secs Computing kpt #: 78 total cpu time spent up to now is 124.5 secs Computing kpt #: 79 total cpu time spent up to now is 126.1 secs Computing kpt #: 80 total cpu time spent up to now is 127.7 secs Computing kpt #: 81 total cpu time spent up to now is 129.4 secs Computing kpt #: 82 total cpu time spent up to now is 131.1 secs Computing kpt #: 83 total cpu time spent up to now is 132.8 secs Computing kpt #: 84 total cpu time spent up to now is 134.6 secs Computing kpt #: 85 total cpu time spent up to now is 136.3 secs Computing kpt #: 86 total cpu time spent up to now is 137.9 secs Computing kpt #: 87 total cpu time spent up to now is 139.6 secs Computing kpt #: 88 total cpu time spent up to now is 141.3 secs Computing kpt #: 89 total cpu time spent up to now is 143.1 secs Computing kpt #: 90 total cpu time spent up to now is 144.9 secs Computing kpt #: 91 total cpu time spent up to now is 146.6 secs Computing kpt #: 92 total cpu time spent up to now is 148.5 secs Computing kpt #: 93 total cpu time spent up to now is 150.2 secs Computing kpt #: 94 total cpu time spent up to now is 152.0 secs Computing kpt #: 95 total cpu time spent up to now is 153.7 secs Computing kpt #: 96 total cpu time spent up to now is 155.4 secs Computing kpt #: 97 total cpu time spent up to now is 157.0 secs Computing kpt #: 98 total cpu time spent up to now is 158.6 secs Computing kpt #: 99 total cpu time spent up to now is 160.2 secs Computing kpt #: 100 total cpu time spent up to now is 161.9 secs Computing kpt #: 101 total cpu time spent up to now is 163.7 secs Computing kpt #: 102 total cpu time spent up to now is 165.3 secs Computing kpt #: 103 total cpu time spent up to now is 166.9 secs Computing kpt #: 104 total cpu time spent up to now is 168.4 secs Computing kpt #: 105 total cpu time spent up to now is 170.0 secs Computing kpt #: 106 total cpu time spent up to now is 171.6 secs Computing kpt #: 107 total cpu time spent up to now is 173.1 secs Computing kpt #: 108 total cpu time spent up to now is 174.7 secs Computing kpt #: 109 total cpu time spent up to now is 176.3 secs Computing kpt #: 110 total cpu time spent up to now is 178.0 secs Computing kpt #: 111 total cpu time spent up to now is 179.6 secs Computing kpt #: 112 total cpu time spent up to now is 181.2 secs Computing kpt #: 113 total cpu time spent up to now is 182.8 secs Computing kpt #: 114 total cpu time spent up to now is 184.4 secs Computing kpt #: 115 total cpu time spent up to now is 186.1 secs Computing kpt #: 116 total cpu time spent up to now is 187.7 secs Computing kpt #: 117 total cpu time spent up to now is 189.3 secs Computing kpt #: 118 total cpu time spent up to now is 190.9 secs Computing kpt #: 119 total cpu time spent up to now is 192.5 secs Computing kpt #: 120 total cpu time spent up to now is 194.1 secs Computing kpt #: 121 total cpu time spent up to now is 195.7 secs Computing kpt #: 122 total cpu time spent up to now is 197.4 secs Computing kpt #: 123 total cpu time spent up to now is 199.1 secs Computing kpt #: 124 total cpu time spent up to now is 200.9 secs Computing kpt #: 125 total cpu time spent up to now is 202.5 secs Computing kpt #: 126 total cpu time spent up to now is 204.1 secs Computing kpt #: 127 total cpu time spent up to now is 205.4 secs Computing kpt #: 128 total cpu time spent up to now is 206.8 secs Computing kpt #: 129 total cpu time spent up to now is 208.1 secs Computing kpt #: 130 total cpu time spent up to now is 209.4 secs Computing kpt #: 131 total cpu time spent up to now is 210.8 secs Computing kpt #: 132 total cpu time spent up to now is 212.1 secs Computing kpt #: 133 total cpu time spent up to now is 213.6 secs Computing kpt #: 134 total cpu time spent up to now is 215.1 secs Computing kpt #: 135 total cpu time spent up to now is 216.4 secs Computing kpt #: 136 total cpu time spent up to now is 217.7 secs Computing kpt #: 137 total cpu time spent up to now is 219.1 secs Computing kpt #: 138 total cpu time spent up to now is 220.5 secs Computing kpt #: 139 total cpu time spent up to now is 221.8 secs Computing kpt #: 140 total cpu time spent up to now is 223.1 secs Computing kpt #: 141 total cpu time spent up to now is 224.4 secs Computing kpt #: 142 total cpu time spent up to now is 225.8 secs Computing kpt #: 143 total cpu time spent up to now is 227.1 secs Computing kpt #: 144 total cpu time spent up to now is 228.7 secs Computing kpt #: 145 total cpu time spent up to now is 230.0 secs Computing kpt #: 146 total cpu time spent up to now is 231.3 secs Computing kpt #: 147 total cpu time spent up to now is 232.7 secs Computing kpt #: 148 total cpu time spent up to now is 234.1 secs Computing kpt #: 149 total cpu time spent up to now is 235.5 secs Computing kpt #: 150 total cpu time spent up to now is 237.0 secs Computing kpt #: 151 total cpu time spent up to now is 238.6 secs Computing kpt #: 152 total cpu time spent up to now is 240.0 secs Computing kpt #: 153 total cpu time spent up to now is 241.6 secs Computing kpt #: 154 total cpu time spent up to now is 243.2 secs Computing kpt #: 155 total cpu time spent up to now is 244.9 secs Computing kpt #: 156 total cpu time spent up to now is 246.6 secs Computing kpt #: 157 total cpu time spent up to now is 248.3 secs Computing kpt #: 158 total cpu time spent up to now is 250.0 secs Computing kpt #: 159 total cpu time spent up to now is 251.8 secs Computing kpt #: 160 total cpu time spent up to now is 253.5 secs Computing kpt #: 161 total cpu time spent up to now is 255.3 secs Computing kpt #: 162 total cpu time spent up to now is 259.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.1 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.9 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.0 secs Computing kpt #: 166 total cpu time spent up to now is 274.7 secs Computing kpt #: 167 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 279.2 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.4 secs Computing kpt #: 169 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 287.9 secs Computing kpt #: 170 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 292.5 secs Computing kpt #: 171 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 297.0 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.9 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.3 secs Computing kpt #: 175 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 314.8 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.9 secs Computing kpt #: 177 total cpu time spent up to now is 321.1 secs Computing kpt #: 178 total cpu time spent up to now is 323.5 secs Computing kpt #: 179 total cpu time spent up to now is 325.3 secs Computing kpt #: 180 total cpu time spent up to now is 327.7 secs Computing kpt #: 181 total cpu time spent up to now is 329.5 secs Computing kpt #: 182 total cpu time spent up to now is 331.3 secs Computing kpt #: 183 total cpu time spent up to now is 333.1 secs Computing kpt #: 184 total cpu time spent up to now is 334.8 secs Computing kpt #: 185 total cpu time spent up to now is 336.5 secs Computing kpt #: 186 total cpu time spent up to now is 338.2 secs Computing kpt #: 187 total cpu time spent up to now is 339.7 secs Computing kpt #: 188 total cpu time spent up to now is 341.4 secs Computing kpt #: 189 total cpu time spent up to now is 343.0 secs Computing kpt #: 190 total cpu time spent up to now is 344.5 secs Computing kpt #: 191 total cpu time spent up to now is 346.1 secs Computing kpt #: 192 total cpu time spent up to now is 347.7 secs Computing kpt #: 193 total cpu time spent up to now is 349.2 secs Computing kpt #: 194 total cpu time spent up to now is 350.8 secs Computing kpt #: 195 total cpu time spent up to now is 352.4 secs Computing kpt #: 196 total cpu time spent up to now is 353.9 secs Computing kpt #: 197 total cpu time spent up to now is 355.5 secs Computing kpt #: 198 total cpu time spent up to now is 357.2 secs Computing kpt #: 199 total cpu time spent up to now is 358.8 secs Computing kpt #: 200 total cpu time spent up to now is 360.4 secs Computing kpt #: 201 total cpu time spent up to now is 362.1 secs Computing kpt #: 202 total cpu time spent up to now is 363.9 secs Computing kpt #: 203 total cpu time spent up to now is 365.8 secs Computing kpt #: 204 total cpu time spent up to now is 367.7 secs Computing kpt #: 205 total cpu time spent up to now is 369.5 secs Computing kpt #: 206 total cpu time spent up to now is 371.5 secs Computing kpt #: 207 total cpu time spent up to now is 373.4 secs Computing kpt #: 208 total cpu time spent up to now is 375.3 secs Computing kpt #: 209 total cpu time spent up to now is 377.1 secs Computing kpt #: 210 total cpu time spent up to now is 378.8 secs Computing kpt #: 211 total cpu time spent up to now is 380.4 secs Computing kpt #: 212 total cpu time spent up to now is 382.0 secs Computing kpt #: 213 total cpu time spent up to now is 383.7 secs Computing kpt #: 214 total cpu time spent up to now is 385.3 secs Computing kpt #: 215 total cpu time spent up to now is 386.8 secs Computing kpt #: 216 total cpu time spent up to now is 388.4 secs Computing kpt #: 217 total cpu time spent up to now is 390.0 secs Computing kpt #: 218 total cpu time spent up to now is 391.5 secs Computing kpt #: 219 total cpu time spent up to now is 393.1 secs Computing kpt #: 220 total cpu time spent up to now is 394.7 secs Computing kpt #: 221 total cpu time spent up to now is 396.3 secs Computing kpt #: 222 total cpu time spent up to now is 397.9 secs Computing kpt #: 223 total cpu time spent up to now is 399.5 secs Computing kpt #: 224 total cpu time spent up to now is 401.0 secs Computing kpt #: 225 total cpu time spent up to now is 402.6 secs Computing kpt #: 226 total cpu time spent up to now is 404.1 secs Computing kpt #: 227 total cpu time spent up to now is 405.5 secs Computing kpt #: 228 total cpu time spent up to now is 406.9 secs Computing kpt #: 229 total cpu time spent up to now is 408.3 secs Computing kpt #: 230 total cpu time spent up to now is 409.7 secs Computing kpt #: 231 total cpu time spent up to now is 411.1 secs Computing kpt #: 232 total cpu time spent up to now is 412.4 secs Computing kpt #: 233 total cpu time spent up to now is 413.8 secs Computing kpt #: 234 total cpu time spent up to now is 415.2 secs Computing kpt #: 235 total cpu time spent up to now is 416.5 secs Computing kpt #: 236 total cpu time spent up to now is 417.8 secs Computing kpt #: 237 total cpu time spent up to now is 419.2 secs Computing kpt #: 238 total cpu time spent up to now is 420.5 secs Computing kpt #: 239 total cpu time spent up to now is 421.8 secs Computing kpt #: 240 total cpu time spent up to now is 423.2 secs Computing kpt #: 241 total cpu time spent up to now is 424.5 secs Computing kpt #: 242 total cpu time spent up to now is 425.9 secs Computing kpt #: 243 total cpu time spent up to now is 427.2 secs Computing kpt #: 244 total cpu time spent up to now is 428.9 secs Computing kpt #: 245 total cpu time spent up to now is 430.7 secs Computing kpt #: 246 total cpu time spent up to now is 432.4 secs Computing kpt #: 247 total cpu time spent up to now is 434.1 secs Computing kpt #: 248 total cpu time spent up to now is 435.7 secs Computing kpt #: 249 total cpu time spent up to now is 437.4 secs Computing kpt #: 250 total cpu time spent up to now is 439.1 secs Computing kpt #: 251 total cpu time spent up to now is 440.8 secs Computing kpt #: 252 total cpu time spent up to now is 442.5 secs Computing kpt #: 253 total cpu time spent up to now is 444.2 secs Computing kpt #: 254 total cpu time spent up to now is 445.9 secs Computing kpt #: 255 total cpu time spent up to now is 447.6 secs Computing kpt #: 256 total cpu time spent up to now is 449.4 secs Computing kpt #: 257 total cpu time spent up to now is 451.1 secs Computing kpt #: 258 total cpu time spent up to now is 452.9 secs Computing kpt #: 259 total cpu time spent up to now is 454.5 secs Computing kpt #: 260 total cpu time spent up to now is 456.1 secs Computing kpt #: 261 total cpu time spent up to now is 457.7 secs Computing kpt #: 262 total cpu time spent up to now is 459.3 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.7 secs Computing kpt #: 264 total cpu time spent up to now is 465.9 secs Computing kpt #: 265 total cpu time spent up to now is 467.8 secs Computing kpt #: 266 total cpu time spent up to now is 470.0 secs Computing kpt #: 267 total cpu time spent up to now is 471.8 secs Computing kpt #: 268 total cpu time spent up to now is 473.5 secs Computing kpt #: 269 total cpu time spent up to now is 475.2 secs Computing kpt #: 270 total cpu time spent up to now is 476.9 secs Computing kpt #: 271 total cpu time spent up to now is 478.8 secs Computing kpt #: 272 total cpu time spent up to now is 480.5 secs Computing kpt #: 273 total cpu time spent up to now is 482.2 secs Computing kpt #: 274 total cpu time spent up to now is 483.9 secs Computing kpt #: 275 total cpu time spent up to now is 485.5 secs Computing kpt #: 276 total cpu time spent up to now is 487.1 secs Computing kpt #: 277 total cpu time spent up to now is 488.8 secs Computing kpt #: 278 total cpu time spent up to now is 490.4 secs Computing kpt #: 279 total cpu time spent up to now is 492.1 secs Computing kpt #: 280 total cpu time spent up to now is 493.7 secs Computing kpt #: 281 total cpu time spent up to now is 495.4 secs Computing kpt #: 282 total cpu time spent up to now is 496.9 secs Computing kpt #: 283 total cpu time spent up to now is 498.5 secs Computing kpt #: 284 total cpu time spent up to now is 500.1 secs Computing kpt #: 285 total cpu time spent up to now is 501.7 secs Computing kpt #: 286 total cpu time spent up to now is 503.3 secs Computing kpt #: 287 total cpu time spent up to now is 504.9 secs Computing kpt #: 288 total cpu time spent up to now is 506.4 secs Computing kpt #: 289 total cpu time spent up to now is 508.0 secs Computing kpt #: 290 total cpu time spent up to now is 509.6 secs Computing kpt #: 291 total cpu time spent up to now is 511.1 secs Computing kpt #: 292 total cpu time spent up to now is 512.7 secs Computing kpt #: 293 total cpu time spent up to now is 514.6 secs Computing kpt #: 294 total cpu time spent up to now is 516.2 secs Computing kpt #: 295 total cpu time spent up to now is 517.7 secs Computing kpt #: 296 total cpu time spent up to now is 519.3 secs Computing kpt #: 297 total cpu time spent up to now is 520.9 secs Computing kpt #: 298 total cpu time spent up to now is 522.5 secs Computing kpt #: 299 total cpu time spent up to now is 524.1 secs Computing kpt #: 300 total cpu time spent up to now is 525.6 secs ethr = 1.56E-08, avg # of iterations = 29.1 total cpu time spent up to now is 525.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11551 PWs) bands (ev): -27.6894 -27.6894 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3966 -11.3966 -11.3941 -11.3941 -11.3851 -11.3851 -11.3444 -11.3444 -11.1515 -11.1515 -11.1400 -11.1400 -11.1289 -11.1289 -11.1219 -11.1219 -11.1143 -11.1143 -11.0875 -11.0875 -11.0670 -11.0670 -11.0669 -11.0669 -6.8934 -6.8934 -6.4382 -6.4382 -6.2292 -6.2292 -5.9723 -5.9723 -2.3489 -2.3489 -2.1437 -2.1437 -1.4844 -1.4844 -1.3327 -1.3327 -1.3162 -1.3162 -1.2758 -1.2758 -0.8154 -0.8154 -0.7803 -0.7803 0.9964 0.9964 1.7977 1.7977 2.2093 2.2093 2.4218 2.4218 4.8244 4.8244 5.0417 5.0417 5.5661 5.5661 5.7641 5.7641 5.8825 5.8825 6.1367 6.1367 k = 0.0167-0.0000-0.0000 ( 11537 PWs) bands (ev): -27.6894 -27.6894 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3966 -11.3966 -11.3941 -11.3941 -11.3851 -11.3851 -11.3444 -11.3444 -11.1514 -11.1514 -11.1400 -11.1400 -11.1289 -11.1289 -11.1218 -11.1218 -11.1143 -11.1143 -11.0876 -11.0876 -11.0672 -11.0672 -11.0668 -11.0668 -6.8927 -6.8927 -6.4380 -6.4380 -6.2293 -6.2293 -5.9727 -5.9727 -2.3487 -2.3487 -2.1437 -2.1437 -1.4841 -1.4841 -1.3381 -1.3381 -1.3160 -1.3160 -1.2714 -1.2714 -0.8161 -0.8161 -0.7820 -0.7820 0.9970 0.9970 1.7977 1.7977 2.2073 2.2073 2.4213 2.4213 4.8280 4.8280 5.0433 5.0433 5.5688 5.5688 5.7545 5.7545 5.8843 5.8843 6.1415 6.1415 k = 0.0333-0.0000-0.0000 ( 11521 PWs) bands (ev): -27.6893 -27.6893 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3966 -11.3966 -11.3941 -11.3941 -11.3850 -11.3850 -11.3446 -11.3446 -11.1514 -11.1514 -11.1401 -11.1401 -11.1288 -11.1288 -11.1217 -11.1217 -11.1142 -11.1142 -11.0878 -11.0878 -11.0674 -11.0674 -11.0668 -11.0668 -6.8906 -6.8906 -6.4373 -6.4373 -6.2296 -6.2296 -5.9739 -5.9739 -2.3478 -2.3478 -2.1436 -2.1436 -1.4833 -1.4833 -1.3509 -1.3509 -1.3155 -1.3155 -1.2611 -1.2611 -0.8181 -0.8181 -0.7870 -0.7870 0.9989 0.9989 1.7979 1.7979 2.2014 2.2014 2.4200 2.4200 4.8386 4.8386 5.0482 5.0482 5.5768 5.5768 5.7283 5.7283 5.8896 5.8896 6.1543 6.1543 k = 0.0500-0.0000-0.0000 ( 11510 PWs) bands (ev): -27.6893 -27.6893 -27.6858 -27.6858 -27.6828 -27.6828 -27.6820 -27.6820 -11.3965 -11.3965 -11.3941 -11.3941 -11.3850 -11.3850 -11.3449 -11.3449 -11.1514 -11.1514 -11.1403 -11.1403 -11.1287 -11.1287 -11.1215 -11.1215 -11.1141 -11.1141 -11.0881 -11.0881 -11.0678 -11.0678 -11.0669 -11.0669 -6.8870 -6.8870 -6.4361 -6.4361 -6.2302 -6.2302 -5.9759 -5.9759 -2.3465 -2.3465 -2.1434 -2.1434 -1.4820 -1.4820 -1.3673 -1.3673 -1.3147 -1.3147 -1.2489 -1.2489 -0.8213 -0.8213 -0.7952 -0.7952 1.0020 1.0020 1.7982 1.7982 2.1917 2.1917 2.4177 2.4177 4.8562 4.8562 5.0563 5.0563 5.5902 5.5902 5.6913 5.6913 5.8983 5.8983 6.1723 6.1723 k = 0.0667-0.0000-0.0000 ( 11504 PWs) bands (ev): -27.6893 -27.6893 -27.6858 -27.6858 -27.6828 -27.6828 -27.6820 -27.6820 -11.3965 -11.3965 -11.3940 -11.3940 -11.3848 -11.3848 -11.3452 -11.3452 -11.1514 -11.1514 -11.1405 -11.1405 -11.1286 -11.1286 -11.1212 -11.1212 -11.1140 -11.1140 -11.0885 -11.0885 -11.0683 -11.0683 -11.0671 -11.0671 -6.8821 -6.8821 -6.4344 -6.4344 -6.2310 -6.2310 -5.9787 -5.9787 -2.3445 -2.3445 -2.1432 -2.1432 -1.4802 -1.4802 -1.3856 -1.3856 -1.3136 -1.3136 -1.2364 -1.2364 -0.8259 -0.8259 -0.8065 -0.8065 1.0064 1.0064 1.7987 1.7987 2.1783 2.1783 2.4144 2.4144 4.8805 4.8805 5.0674 5.0674 5.6090 5.6090 5.6489 5.6489 5.9103 5.9103 6.1939 6.1939 k = 0.0833-0.0000-0.0000 ( 11508 PWs) bands (ev): -27.6892 -27.6892 -27.6858 -27.6858 -27.6829 -27.6829 -27.6820 -27.6820 -11.3965 -11.3965 -11.3940 -11.3940 -11.3847 -11.3847 -11.3457 -11.3457 -11.1513 -11.1513 -11.1408 -11.1408 -11.1286 -11.1286 -11.1209 -11.1209 -11.1139 -11.1139 -11.0891 -11.0891 -11.0688 -11.0688 -11.0674 -11.0674 -6.8758 -6.8758 -6.4322 -6.4322 -6.2321 -6.2321 -5.9823 -5.9823 -2.3421 -2.3421 -2.1430 -2.1430 -1.4780 -1.4780 -1.4050 -1.4050 -1.3121 -1.3121 -1.2244 -1.2244 -0.8317 -0.8317 -0.8208 -0.8208 1.0120 1.0120 1.7992 1.7992 2.1615 2.1615 2.4101 2.4101 4.9115 4.9115 5.0814 5.0814 5.6044 5.6044 5.6336 5.6336 5.9254 5.9254 6.2186 6.2186 k = 0.1000-0.0000-0.0000 ( 11514 PWs) bands (ev): -27.6892 -27.6892 -27.6857 -27.6857 -27.6829 -27.6829 -27.6821 -27.6821 -11.3964 -11.3964 -11.3939 -11.3939 -11.3845 -11.3845 -11.3463 -11.3463 -11.1512 -11.1512 -11.1411 -11.1411 -11.1285 -11.1285 -11.1204 -11.1204 -11.1137 -11.1137 -11.0898 -11.0898 -11.0695 -11.0695 -11.0677 -11.0677 -6.8682 -6.8682 -6.4296 -6.4296 -6.2335 -6.2335 -5.9866 -5.9866 -2.3392 -2.3392 -2.1428 -2.1428 -1.4755 -1.4755 -1.4250 -1.4250 -1.3103 -1.3103 -1.2130 -1.2130 -0.8386 -0.8386 -0.8379 -0.8379 1.0187 1.0187 1.7999 1.7999 2.1416 2.1416 2.4046 2.4046 4.9489 4.9489 5.0980 5.0980 5.5611 5.5611 5.6633 5.6633 5.9434 5.9434 6.2460 6.2460 k = 0.1167-0.0000-0.0000 ( 11534 PWs) bands (ev): -27.6891 -27.6891 -27.6857 -27.6857 -27.6830 -27.6830 -27.6821 -27.6821 -11.3964 -11.3964 -11.3938 -11.3938 -11.3844 -11.3844 -11.3470 -11.3470 -11.1512 -11.1512 -11.1415 -11.1415 -11.1286 -11.1286 -11.1199 -11.1199 -11.1135 -11.1135 -11.0906 -11.0906 -11.0702 -11.0702 -11.0682 -11.0682 -6.8593 -6.8593 -6.4265 -6.4265 -6.2352 -6.2352 -5.9917 -5.9917 -2.3358 -2.3358 -2.1425 -2.1425 -1.4726 -1.4726 -1.4454 -1.4454 -1.3081 -1.3081 -1.2024 -1.2024 -0.8575 -0.8575 -0.8467 -0.8467 1.0266 1.0266 1.8007 1.8007 2.1189 2.1189 2.3978 2.3978 4.9923 4.9923 5.1170 5.1170 5.5202 5.5202 5.6985 5.6985 5.9638 5.9638 6.2761 6.2761 k = 0.1333-0.0000-0.0000 ( 11530 PWs) bands (ev): -27.6891 -27.6891 -27.6857 -27.6857 -27.6830 -27.6830 -27.6821 -27.6821 -11.3964 -11.3964 -11.3936 -11.3936 -11.3842 -11.3842 -11.3477 -11.3477 -11.1511 -11.1511 -11.1418 -11.1418 -11.1286 -11.1286 -11.1193 -11.1193 -11.1132 -11.1132 -11.0915 -11.0915 -11.0709 -11.0709 -11.0687 -11.0687 -6.8492 -6.8492 -6.4229 -6.4229 -6.2372 -6.2372 -5.9975 -5.9975 -2.3320 -2.3320 -2.1423 -2.1423 -1.4706 -1.4706 -1.4648 -1.4648 -1.3055 -1.3055 -1.1928 -1.1928 -0.8792 -0.8792 -0.8558 -0.8558 1.0356 1.0356 1.8017 1.8017 2.0937 2.0937 2.3896 2.3896 5.0414 5.0414 5.1383 5.1383 5.4827 5.4827 5.7392 5.7392 5.9865 5.9865 6.3084 6.3084 k = 0.1500-0.0000-0.0000 ( 11530 PWs) bands (ev): -27.6890 -27.6890 -27.6856 -27.6856 -27.6831 -27.6831 -27.6822 -27.6822 -11.3964 -11.3964 -11.3935 -11.3935 -11.3840 -11.3840 -11.3486 -11.3486 -11.1509 -11.1509 -11.1421 -11.1421 -11.1287 -11.1287 -11.1186 -11.1186 -11.1129 -11.1129 -11.0925 -11.0925 -11.0718 -11.0718 -11.0693 -11.0693 -6.8378 -6.8378 -6.4188 -6.4188 -6.2397 -6.2397 -6.0040 -6.0040 -2.3277 -2.3277 -2.1421 -2.1421 -1.4873 -1.4873 -1.4654 -1.4654 -1.3025 -1.3025 -1.1840 -1.1840 -0.9028 -0.9028 -0.8658 -0.8658 1.0457 1.0457 1.8028 1.8028 2.0663 2.0663 2.3800 2.3800 5.0961 5.0961 5.1616 5.1616 5.4495 5.4495 5.7852 5.7852 6.0109 6.0109 6.3419 6.3419 k = 0.1667-0.0000-0.0000 ( 11550 PWs) bands (ev): -27.6889 -27.6889 -27.6856 -27.6856 -27.6832 -27.6832 -27.6822 -27.6822 -11.3963 -11.3963 -11.3932 -11.3932 -11.3838 -11.3838 -11.3496 -11.3496 -11.1508 -11.1508 -11.1425 -11.1425 -11.1288 -11.1288 -11.1178 -11.1178 -11.1126 -11.1126 -11.0937 -11.0937 -11.0726 -11.0726 -11.0699 -11.0699 -6.8253 -6.8253 -6.4143 -6.4143 -6.2427 -6.2427 -6.0112 -6.0112 -2.3230 -2.3230 -2.1420 -2.1420 -1.5076 -1.5076 -1.4622 -1.4622 -1.2992 -1.2992 -1.1761 -1.1761 -0.9281 -0.9281 -0.8767 -0.8767 1.0567 1.0567 1.8041 1.8041 2.0371 2.0371 2.3689 2.3689 5.1559 5.1559 5.1867 5.1867 5.4209 5.4209 5.8362 5.8362 6.0365 6.0365 6.3753 6.3753 k = 0.1833-0.0000-0.0000 ( 11534 PWs) bands (ev): -27.6888 -27.6888 -27.6855 -27.6855 -27.6832 -27.6832 -27.6822 -27.6822 -11.3963 -11.3963 -11.3930 -11.3930 -11.3836 -11.3836 -11.3506 -11.3506 -11.1506 -11.1506 -11.1428 -11.1428 -11.1289 -11.1289 -11.1170 -11.1170 -11.1123 -11.1123 -11.0949 -11.0949 -11.0736 -11.0736 -11.0706 -11.0706 -6.8116 -6.8116 -6.4093 -6.4093 -6.2461 -6.2461 -6.0190 -6.0190 -2.3179 -2.3179 -2.1420 -2.1420 -1.5277 -1.5277 -1.4588 -1.4588 -1.2954 -1.2954 -1.1691 -1.1691 -0.9544 -0.9544 -0.8883 -0.8883 1.0687 1.0687 1.8057 1.8057 2.0065 2.0065 2.3563 2.3563 5.2134 5.2134 5.2206 5.2206 5.3974 5.3974 5.8922 5.8922 6.0630 6.0630 6.4067 6.4067 k = 0.2000-0.0000-0.0000 ( 11534 PWs) bands (ev): -27.6887 -27.6887 -27.6854 -27.6854 -27.6833 -27.6833 -27.6823 -27.6823 -11.3962 -11.3962 -11.3927 -11.3927 -11.3834 -11.3834 -11.3517 -11.3517 -11.1504 -11.1504 -11.1431 -11.1431 -11.1291 -11.1291 -11.1162 -11.1162 -11.1119 -11.1119 -11.0962 -11.0962 -11.0745 -11.0745 -11.0714 -11.0714 -6.7970 -6.7970 -6.4038 -6.4038 -6.2500 -6.2500 -6.0274 -6.0274 -2.3125 -2.3125 -2.1422 -2.1422 -1.5471 -1.5471 -1.4557 -1.4557 -1.2912 -1.2912 -1.1631 -1.1631 -0.9815 -0.9815 -0.9006 -0.9006 1.0816 1.0816 1.8075 1.8075 1.9747 1.9747 2.3421 2.3421 5.2418 5.2418 5.2896 5.2896 5.3790 5.3790 5.9527 5.9527 6.0899 6.0899 6.4339 6.4339 k = 0.2167-0.0000-0.0000 ( 11526 PWs) bands (ev): -27.6886 -27.6886 -27.6854 -27.6854 -27.6834 -27.6834 -27.6823 -27.6823 -11.3962 -11.3962 -11.3924 -11.3924 -11.3832 -11.3832 -11.3529 -11.3529 -11.1502 -11.1502 -11.1433 -11.1433 -11.1294 -11.1294 -11.1153 -11.1153 -11.1115 -11.1115 -11.0975 -11.0975 -11.0755 -11.0755 -11.0722 -11.0722 -6.7814 -6.7814 -6.3979 -6.3979 -6.2545 -6.2545 -6.0363 -6.0363 -2.3068 -2.3068 -2.1424 -2.1424 -1.5658 -1.5658 -1.4531 -1.4531 -1.2865 -1.2865 -1.1578 -1.1578 -1.0088 -1.0088 -0.9134 -0.9134 1.0953 1.0953 1.8097 1.8097 1.9419 1.9419 2.3265 2.3265 5.2715 5.2715 5.3630 5.3630 5.3660 5.3660 6.0174 6.0174 6.1166 6.1166 6.4549 6.4549 k = 0.2333-0.0000-0.0000 ( 11534 PWs) bands (ev): -27.6884 -27.6884 -27.6853 -27.6853 -27.6835 -27.6835 -27.6824 -27.6824 -11.3961 -11.3961 -11.3921 -11.3921 -11.3830 -11.3830 -11.3541 -11.3541 -11.1499 -11.1499 -11.1435 -11.1435 -11.1296 -11.1296 -11.1144 -11.1144 -11.1112 -11.1112 -11.0989 -11.0989 -11.0764 -11.0764 -11.0731 -11.0731 -6.7649 -6.7649 -6.3915 -6.3915 -6.2597 -6.2597 -6.0458 -6.0458 -2.3007 -2.3007 -2.1429 -2.1429 -1.5836 -1.5836 -1.4512 -1.4512 -1.2814 -1.2814 -1.1535 -1.1535 -1.0360 -1.0360 -0.9268 -0.9268 1.1098 1.1098 1.8123 1.8123 1.9086 1.9086 2.3093 2.3093 5.3025 5.3025 5.3581 5.3581 5.4403 5.4403 6.0860 6.0860 6.1428 6.1428 6.4683 6.4683 k = 0.2500-0.0000-0.0000 ( 11538 PWs) bands (ev): -27.6883 -27.6883 -27.6852 -27.6852 -27.6836 -27.6836 -27.6825 -27.6825 -11.3960 -11.3960 -11.3918 -11.3918 -11.3828 -11.3828 -11.3554 -11.3554 -11.1496 -11.1496 -11.1437 -11.1437 -11.1299 -11.1299 -11.1136 -11.1136 -11.1108 -11.1108 -11.1002 -11.1002 -11.0774 -11.0774 -11.0740 -11.0740 -6.7476 -6.7476 -6.3847 -6.3847 -6.2655 -6.2655 -6.0558 -6.0558 -2.2944 -2.2944 -2.1436 -2.1436 -1.6002 -1.6002 -1.4504 -1.4504 -1.2759 -1.2759 -1.1500 -1.1500 -1.0624 -1.0624 -0.9405 -0.9405 1.1251 1.1251 1.8153 1.8153 1.8750 1.8750 2.2908 2.2908 5.3346 5.3346 5.3554 5.3554 5.5212 5.5212 6.1578 6.1578 6.1683 6.1683 6.4743 6.4743 k = 0.2667-0.0000-0.0000 ( 11550 PWs) bands (ev): -27.6882 -27.6882 -27.6851 -27.6851 -27.6837 -27.6837 -27.6825 -27.6825 -11.3958 -11.3958 -11.3916 -11.3916 -11.3826 -11.3826 -11.3567 -11.3567 -11.1493 -11.1493 -11.1439 -11.1439 -11.1301 -11.1301 -11.1128 -11.1128 -11.1103 -11.1103 -11.1015 -11.1015 -11.0785 -11.0785 -11.0749 -11.0749 -6.7295 -6.7295 -6.3774 -6.3774 -6.2721 -6.2721 -6.0663 -6.0663 -2.2879 -2.2879 -2.1445 -2.1445 -1.6155 -1.6155 -1.4510 -1.4510 -1.2699 -1.2699 -1.1473 -1.1473 -1.0874 -1.0874 -0.9545 -0.9545 1.1410 1.1410 1.8189 1.8189 1.8412 1.8412 2.2711 2.2711 5.3576 5.3576 5.3679 5.3679 5.6055 5.6055 6.1926 6.1926 6.2325 6.2325 6.4740 6.4740 k = 0.2833-0.0000-0.0000 ( 11548 PWs) bands (ev): -27.6880 -27.6880 -27.6851 -27.6851 -27.6838 -27.6838 -27.6826 -27.6826 -11.3957 -11.3957 -11.3913 -11.3913 -11.3823 -11.3823 -11.3580 -11.3580 -11.1489 -11.1489 -11.1440 -11.1440 -11.1304 -11.1304 -11.1124 -11.1124 -11.1097 -11.1097 -11.1026 -11.1026 -11.0795 -11.0795 -11.0759 -11.0759 -6.7108 -6.7108 -6.3697 -6.3697 -6.2794 -6.2794 -6.0771 -6.0771 -2.2812 -2.2812 -2.1457 -2.1457 -1.6294 -1.6294 -1.4533 -1.4533 -1.2635 -1.2635 -1.1455 -1.1455 -1.1104 -1.1104 -0.9686 -0.9686 1.1576 1.1576 1.8073 1.8073 1.8232 1.8232 2.2502 2.2502 5.3648 5.3648 5.4016 5.4016 5.6929 5.6929 6.2162 6.2162 6.3094 6.3094 6.4686 6.4686 k = 0.3000-0.0000-0.0000 ( 11532 PWs) bands (ev): -27.6879 -27.6879 -27.6850 -27.6850 -27.6840 -27.6840 -27.6827 -27.6827 -11.3955 -11.3955 -11.3910 -11.3910 -11.3821 -11.3821 -11.3594 -11.3594 -11.1485 -11.1485 -11.1440 -11.1440 -11.1307 -11.1307 -11.1124 -11.1124 -11.1090 -11.1090 -11.1034 -11.1034 -11.0805 -11.0805 -11.0769 -11.0769 -6.6916 -6.6916 -6.3615 -6.3615 -6.2875 -6.2875 -6.0883 -6.0883 -2.2744 -2.2744 -2.1472 -2.1472 -1.6416 -1.6416 -1.4578 -1.4578 -1.2567 -1.2567 -1.1446 -1.1446 -1.1306 -1.1306 -0.9829 -0.9829 1.1747 1.1747 1.7739 1.7739 1.8280 1.8280 2.2285 2.2285 5.3764 5.3764 5.4360 5.4360 5.7831 5.7831 6.2391 6.2391 6.3879 6.3879 6.4592 6.4592 k = 0.3167-0.0000-0.0000 ( 11540 PWs) bands (ev): -27.6877 -27.6877 -27.6849 -27.6849 -27.6841 -27.6841 -27.6827 -27.6827 -11.3952 -11.3952 -11.3907 -11.3907 -11.3818 -11.3818 -11.3609 -11.3609 -11.1480 -11.1480 -11.1440 -11.1440 -11.1309 -11.1309 -11.1128 -11.1128 -11.1081 -11.1081 -11.1039 -11.1039 -11.0815 -11.0815 -11.0780 -11.0780 -6.6719 -6.6719 -6.3529 -6.3529 -6.2965 -6.2965 -6.0998 -6.0998 -2.2674 -2.2674 -2.1490 -2.1490 -1.6521 -1.6521 -1.4648 -1.4648 -1.2494 -1.2494 -1.1498 -1.1498 -1.1425 -1.1425 -0.9973 -0.9973 1.1925 1.1925 1.7408 1.7408 1.8337 1.8337 2.2060 2.2060 5.3923 5.3923 5.4707 5.4707 5.8757 5.8757 6.2615 6.2615 6.4467 6.4467 6.4673 6.4673 k = 0.3333-0.0000-0.0000 ( 11544 PWs) bands (ev): -27.6876 -27.6876 -27.6848 -27.6848 -27.6842 -27.6842 -27.6828 -27.6828 -11.3950 -11.3950 -11.3905 -11.3905 -11.3815 -11.3815 -11.3623 -11.3623 -11.1476 -11.1476 -11.1440 -11.1440 -11.1311 -11.1311 -11.1137 -11.1137 -11.1072 -11.1072 -11.1040 -11.1040 -11.0825 -11.0825 -11.0790 -11.0790 -6.6518 -6.6518 -6.3439 -6.3439 -6.3063 -6.3063 -6.1116 -6.1116 -2.2604 -2.2604 -2.1512 -2.1512 -1.6608 -1.6608 -1.4744 -1.4744 -1.2417 -1.2417 -1.1632 -1.1632 -1.1434 -1.1434 -1.0116 -1.0116 1.2107 1.2107 1.7082 1.7082 1.8402 1.8402 2.1830 2.1830 5.4120 5.4120 5.5053 5.5053 5.9707 5.9707 6.2840 6.2840 6.4317 6.4317 6.5460 6.5460 k = 0.3500-0.0000-0.0000 ( 11564 PWs) bands (ev): -27.6874 -27.6874 -27.6847 -27.6847 -27.6844 -27.6844 -27.6829 -27.6829 -11.3947 -11.3947 -11.3904 -11.3904 -11.3812 -11.3812 -11.3637 -11.3637 -11.1471 -11.1471 -11.1440 -11.1440 -11.1313 -11.1313 -11.1149 -11.1149 -11.1062 -11.1062 -11.1039 -11.1039 -11.0834 -11.0834 -11.0801 -11.0801 -6.6315 -6.6315 -6.3346 -6.3346 -6.3170 -6.3170 -6.1237 -6.1237 -2.2533 -2.2533 -2.1537 -2.1537 -1.6675 -1.6675 -1.4866 -1.4866 -1.2336 -1.2336 -1.1739 -1.1739 -1.1444 -1.1444 -1.0258 -1.0258 1.2295 1.2295 1.6762 1.6762 1.8476 1.8476 2.1596 2.1596 5.4352 5.4352 5.5394 5.5394 6.0675 6.0675 6.3070 6.3070 6.4149 6.4149 6.5977 6.5977 k = 0.3667-0.0000-0.0000 ( 11564 PWs) bands (ev): -27.6872 -27.6872 -27.6846 -27.6846 -27.6846 -27.6846 -27.6830 -27.6830 -11.3944 -11.3944 -11.3903 -11.3903 -11.3808 -11.3808 -11.3651 -11.3651 -11.1467 -11.1467 -11.1439 -11.1439 -11.1314 -11.1314 -11.1163 -11.1163 -11.1052 -11.1052 -11.1035 -11.1035 -11.0844 -11.0844 -11.0811 -11.0811 -6.6109 -6.6109 -6.3286 -6.3286 -6.3248 -6.3248 -6.1359 -6.1359 -2.2461 -2.2461 -2.1566 -2.1566 -1.6722 -1.6722 -1.5010 -1.5010 -1.2251 -1.2251 -1.1813 -1.1813 -1.1460 -1.1460 -1.0399 -1.0399 1.2489 1.2489 1.6449 1.6449 1.8560 1.8560 2.1362 2.1362 5.4614 5.4614 5.5724 5.5724 6.1658 6.1658 6.3311 6.3311 6.3965 6.3965 6.5497 6.5497 k = 0.3833-0.0000-0.0000 ( 11570 PWs) bands (ev): -27.6871 -27.6871 -27.6847 -27.6847 -27.6845 -27.6845 -27.6831 -27.6831 -11.3940 -11.3940 -11.3902 -11.3902 -11.3804 -11.3804 -11.3665 -11.3665 -11.1462 -11.1462 -11.1438 -11.1438 -11.1314 -11.1314 -11.1178 -11.1178 -11.1043 -11.1043 -11.1030 -11.1030 -11.0852 -11.0852 -11.0822 -11.0822 -6.5904 -6.5904 -6.3410 -6.3410 -6.3147 -6.3147 -6.1482 -6.1482 -2.2391 -2.2391 -2.1599 -2.1599 -1.6747 -1.6747 -1.5171 -1.5171 -1.2162 -1.2162 -1.1858 -1.1858 -1.1480 -1.1480 -1.0538 -1.0538 1.2687 1.2687 1.6143 1.6143 1.8655 1.8655 2.1127 2.1127 5.4900 5.4900 5.6036 5.6036 6.2652 6.2652 6.3567 6.3567 6.3772 6.3772 6.4961 6.4961 k = 0.4000-0.0000-0.0000 ( 11572 PWs) bands (ev): -27.6869 -27.6869 -27.6849 -27.6849 -27.6844 -27.6844 -27.6832 -27.6832 -11.3937 -11.3937 -11.3902 -11.3902 -11.3798 -11.3798 -11.3679 -11.3679 -11.1458 -11.1458 -11.1437 -11.1437 -11.1313 -11.1313 -11.1193 -11.1193 -11.1034 -11.1034 -11.1024 -11.1024 -11.0860 -11.0860 -11.0832 -11.0832 -6.5698 -6.5698 -6.3544 -6.3544 -6.3042 -6.3042 -6.1607 -6.1607 -2.2320 -2.2320 -2.1635 -2.1635 -1.6751 -1.6751 -1.5344 -1.5344 -1.2070 -1.2070 -1.1879 -1.1879 -1.1506 -1.1506 -1.0675 -1.0675 1.2891 1.2891 1.5846 1.5846 1.8761 1.8761 2.0896 2.0896 5.5204 5.5204 5.6322 5.6322 6.3570 6.3570 6.3652 6.3652 6.3843 6.3843 6.4455 6.4455 k = 0.4167-0.0000-0.0000 ( 11580 PWs) bands (ev): -27.6867 -27.6867 -27.6850 -27.6850 -27.6843 -27.6843 -27.6833 -27.6833 -11.3933 -11.3933 -11.3903 -11.3903 -11.3792 -11.3792 -11.3692 -11.3692 -11.1454 -11.1454 -11.1436 -11.1436 -11.1311 -11.1311 -11.1209 -11.1209 -11.1026 -11.1026 -11.1018 -11.1018 -11.0868 -11.0868 -11.0842 -11.0842 -6.5493 -6.5493 -6.3686 -6.3686 -6.2934 -6.2934 -6.1732 -6.1732 -2.2251 -2.2251 -2.1675 -2.1675 -1.6733 -1.6733 -1.5522 -1.5522 -1.1975 -1.1975 -1.1879 -1.1879 -1.1537 -1.1537 -1.0809 -1.0809 1.3100 1.3100 1.5557 1.5557 1.8878 1.8878 2.0668 2.0668 5.5519 5.5519 5.6571 5.6571 6.3377 6.3377 6.3993 6.3993 6.4142 6.4142 6.4634 6.4634 k = 0.4333-0.0000-0.0000 ( 11604 PWs) bands (ev): -27.6866 -27.6866 -27.6852 -27.6852 -27.6842 -27.6842 -27.6834 -27.6834 -11.3929 -11.3929 -11.3904 -11.3904 -11.3786 -11.3786 -11.3705 -11.3705 -11.1450 -11.1450 -11.1435 -11.1435 -11.1307 -11.1307 -11.1224 -11.1224 -11.1019 -11.1019 -11.1012 -11.1012 -11.0874 -11.0874 -11.0851 -11.0851 -6.5290 -6.5290 -6.3836 -6.3836 -6.2823 -6.2823 -6.1858 -6.1858 -2.2183 -2.2183 -2.1719 -2.1719 -1.6693 -1.6693 -1.5700 -1.5700 -1.1890 -1.1890 -1.1851 -1.1851 -1.1572 -1.1572 -1.0940 -1.0940 1.3314 1.3314 1.5276 1.5276 1.9007 1.9007 2.0446 2.0446 5.5834 5.5834 5.6770 5.6770 6.3191 6.3191 6.3591 6.3591 6.4466 6.4466 6.5567 6.5567 k = 0.4500-0.0000-0.0000 ( 11610 PWs) bands (ev): -27.6864 -27.6864 -27.6854 -27.6854 -27.6841 -27.6841 -27.6835 -27.6835 -11.3925 -11.3925 -11.3906 -11.3906 -11.3778 -11.3778 -11.3718 -11.3718 -11.1446 -11.1446 -11.1435 -11.1435 -11.1302 -11.1302 -11.1238 -11.1238 -11.1013 -11.1013 -11.1007 -11.1007 -11.0878 -11.0878 -11.0860 -11.0860 -6.5090 -6.5090 -6.3995 -6.3995 -6.2710 -6.2710 -6.1983 -6.1983 -2.2116 -2.2116 -2.1766 -2.1766 -1.6632 -1.6632 -1.5873 -1.5873 -1.1849 -1.1849 -1.1762 -1.1762 -1.1609 -1.1609 -1.1068 -1.1068 1.3535 1.3535 1.5004 1.5004 1.9148 1.9148 2.0231 2.0231 5.6139 5.6139 5.6906 5.6906 6.3025 6.3025 6.3260 6.3260 6.4819 6.4819 6.6324 6.6324 k = 0.4667-0.0000-0.0000 ( 11602 PWs) bands (ev): -27.6862 -27.6862 -27.6855 -27.6855 -27.6840 -27.6840 -27.6836 -27.6836 -11.3921 -11.3921 -11.3909 -11.3909 -11.3770 -11.3770 -11.3730 -11.3730 -11.1443 -11.1443 -11.1435 -11.1435 -11.1295 -11.1295 -11.1252 -11.1252 -11.1008 -11.1008 -11.1004 -11.1004 -11.0880 -11.0880 -11.0868 -11.0868 -6.4893 -6.4893 -6.4161 -6.4161 -6.2593 -6.2593 -6.2108 -6.2108 -2.2051 -2.2051 -2.1817 -2.1817 -1.6550 -1.6550 -1.6038 -1.6038 -1.1814 -1.1814 -1.1658 -1.1658 -1.1649 -1.1649 -1.1193 -1.1193 1.3762 1.3762 1.4740 1.4740 1.9300 1.9300 2.0025 2.0025 5.6419 5.6419 5.6967 5.6967 6.2892 6.2892 6.3013 6.3013 6.5197 6.5197 6.6600 6.6600 k = 0.4833-0.0000-0.0000 ( 11602 PWs) bands (ev): -27.6860 -27.6860 -27.6857 -27.6857 -27.6839 -27.6839 -27.6837 -27.6837 -11.3918 -11.3918 -11.3911 -11.3911 -11.3761 -11.3761 -11.3741 -11.3741 -11.1440 -11.1440 -11.1436 -11.1436 -11.1286 -11.1286 -11.1264 -11.1264 -11.1004 -11.1004 -11.1002 -11.1002 -11.0880 -11.0880 -11.0874 -11.0874 -6.4702 -6.4702 -6.4335 -6.4335 -6.2474 -6.2474 -6.2231 -6.2231 -2.1989 -2.1989 -2.1871 -2.1871 -1.6448 -1.6448 -1.6190 -1.6190 -1.1776 -1.1776 -1.1692 -1.1692 -1.1546 -1.1546 -1.1314 -1.1314 1.3996 1.3996 1.4484 1.4484 1.9465 1.9465 1.9827 1.9827 5.6658 5.6658 5.6944 5.6944 6.2809 6.2809 6.2858 6.2858 6.5598 6.5598 6.6388 6.6388 k = 0.5000-0.0000-0.0000 ( 11610 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3914 -11.3914 -11.3914 -11.3914 -11.3751 -11.3751 -11.3751 -11.3751 -11.1438 -11.1438 -11.1438 -11.1438 -11.1276 -11.1276 -11.1276 -11.1276 -11.1002 -11.1002 -11.1002 -11.1002 -11.0878 -11.0878 -11.0878 -11.0878 -6.4515 -6.4515 -6.4515 -6.4515 -6.2354 -6.2354 -6.2354 -6.2354 -2.1929 -2.1929 -2.1929 -2.1929 -1.6328 -1.6328 -1.6328 -1.6328 -1.1734 -1.1734 -1.1734 -1.1734 -1.1432 -1.1432 -1.1432 -1.1432 1.4236 1.4236 1.4236 1.4236 1.9641 1.9641 1.9641 1.9641 5.6838 5.6838 5.6838 5.6838 6.2793 6.2793 6.2793 6.2793 6.6008 6.6008 6.6008 6.6008 k = 0.5000-0.0000-0.0000 ( 11610 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3914 -11.3914 -11.3914 -11.3914 -11.3751 -11.3751 -11.3751 -11.3751 -11.1438 -11.1438 -11.1438 -11.1438 -11.1276 -11.1276 -11.1276 -11.1276 -11.1002 -11.1002 -11.1002 -11.1002 -11.0878 -11.0878 -11.0878 -11.0878 -6.4515 -6.4515 -6.4515 -6.4515 -6.2354 -6.2354 -6.2354 -6.2354 -2.1929 -2.1929 -2.1929 -2.1929 -1.6328 -1.6328 -1.6328 -1.6328 -1.1734 -1.1734 -1.1734 -1.1734 -1.1432 -1.1432 -1.1432 -1.1432 1.4236 1.4236 1.4236 1.4236 1.9641 1.9641 1.9641 1.9641 5.6838 5.6838 5.6838 5.6838 6.2793 6.2793 6.2793 6.2793 6.6008 6.6008 6.6008 6.6008 k = 0.5000 0.0165-0.0000 ( 11606 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3916 -11.3916 -11.3913 -11.3913 -11.3753 -11.3753 -11.3751 -11.3751 -11.1445 -11.1445 -11.1432 -11.1432 -11.1278 -11.1278 -11.1274 -11.1274 -11.1007 -11.1007 -11.0997 -11.0997 -11.0887 -11.0887 -11.0868 -11.0868 -6.4514 -6.4514 -6.4514 -6.4514 -6.2354 -6.2354 -6.2353 -6.2353 -2.1935 -2.1935 -2.1934 -2.1934 -1.6325 -1.6325 -1.6325 -1.6325 -1.1793 -1.1793 -1.1788 -1.1788 -1.1380 -1.1380 -1.1375 -1.1375 1.4245 1.4245 1.4245 1.4245 1.9637 1.9637 1.9638 1.9638 5.6834 5.6834 5.6835 5.6835 6.2720 6.2720 6.2723 6.2723 6.6122 6.6122 6.6123 6.6123 k = 0.5000 0.0331-0.0000 ( 11606 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3917 -11.3917 -11.3912 -11.3912 -11.3755 -11.3755 -11.3751 -11.3751 -11.1452 -11.1452 -11.1426 -11.1426 -11.1281 -11.1281 -11.1274 -11.1274 -11.1011 -11.1011 -11.0992 -11.0992 -11.0894 -11.0894 -11.0856 -11.0856 -6.4509 -6.4509 -6.4509 -6.4509 -6.2353 -6.2353 -6.2351 -6.2351 -2.1953 -2.1953 -2.1951 -2.1951 -1.6317 -1.6317 -1.6317 -1.6317 -1.1909 -1.1909 -1.1903 -1.1903 -1.1271 -1.1271 -1.1263 -1.1263 1.4272 1.4272 1.4272 1.4272 1.9627 1.9627 1.9628 1.9628 5.6826 5.6826 5.6828 5.6828 6.2534 6.2534 6.2540 6.2540 6.6438 6.6438 6.6439 6.6439 k = 0.5000 0.0496-0.0000 ( 11594 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3918 -11.3918 -11.3910 -11.3910 -11.3758 -11.3758 -11.3751 -11.3751 -11.1460 -11.1460 -11.1421 -11.1421 -11.1285 -11.1285 -11.1275 -11.1275 -11.1013 -11.1013 -11.0988 -11.0988 -11.0898 -11.0898 -11.0844 -11.0844 -6.4501 -6.4501 -6.4500 -6.4500 -6.2350 -6.2350 -6.2348 -6.2348 -2.1983 -2.1983 -2.1979 -2.1979 -1.6304 -1.6304 -1.6303 -1.6303 -1.2041 -1.2041 -1.2035 -1.2035 -1.1147 -1.1147 -1.1139 -1.1139 1.4316 1.4316 1.4317 1.4317 1.9610 1.9610 1.9613 1.9613 5.6813 5.6813 5.6816 5.6816 6.2289 6.2289 6.2296 6.2296 6.6898 6.6898 6.6899 6.6899 k = 0.5000 0.0661-0.0000 ( 11588 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3920 -11.3920 -11.3909 -11.3909 -11.3762 -11.3762 -11.3753 -11.3753 -11.1468 -11.1468 -11.1418 -11.1418 -11.1290 -11.1290 -11.1277 -11.1277 -11.1014 -11.1014 -11.0985 -11.0985 -11.0899 -11.0899 -11.0832 -11.0832 -6.4490 -6.4490 -6.4489 -6.4489 -6.2347 -6.2347 -6.2344 -6.2344 -2.2023 -2.2023 -2.2018 -2.2018 -1.6286 -1.6286 -1.6285 -1.6285 -1.2178 -1.2178 -1.2172 -1.2172 -1.1020 -1.1020 -1.1012 -1.1012 1.4378 1.4378 1.4378 1.4378 1.9586 1.9586 1.9590 1.9590 5.6797 5.6797 5.6802 5.6802 6.2027 6.2027 6.2036 6.2036 6.7454 6.7454 6.7454 6.7454 k = 0.5000 0.0827-0.0000 ( 11574 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3921 -11.3921 -11.3908 -11.3908 -11.3767 -11.3767 -11.3755 -11.3755 -11.1475 -11.1475 -11.1415 -11.1415 -11.1294 -11.1294 -11.1281 -11.1281 -11.1014 -11.1014 -11.0985 -11.0985 -11.0896 -11.0896 -11.0820 -11.0820 -6.4477 -6.4477 -6.4475 -6.4475 -6.2344 -6.2344 -6.2340 -6.2340 -2.2073 -2.2073 -2.2067 -2.2067 -1.6264 -1.6264 -1.6262 -1.6262 -1.2317 -1.2317 -1.2312 -1.2312 -1.0895 -1.0895 -1.0887 -1.0887 1.4455 1.4455 1.4456 1.4456 1.9556 1.9556 1.9560 1.9560 5.6782 5.6782 5.6787 5.6787 6.1777 6.1777 6.1785 6.1785 6.8072 6.8072 6.8074 6.8074 k = 0.5000 0.0992-0.0000 ( 11562 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3922 -11.3922 -11.3907 -11.3907 -11.3772 -11.3772 -11.3759 -11.3759 -11.1482 -11.1482 -11.1414 -11.1414 -11.1299 -11.1299 -11.1285 -11.1285 -11.1012 -11.1012 -11.0986 -11.0986 -11.0890 -11.0890 -11.0808 -11.0808 -6.4460 -6.4460 -6.4459 -6.4459 -6.2339 -6.2339 -6.2335 -6.2335 -2.2131 -2.2131 -2.2125 -2.2125 -1.6237 -1.6237 -1.6235 -1.6235 -1.2456 -1.2456 -1.2451 -1.2451 -1.0772 -1.0772 -1.0764 -1.0764 1.4548 1.4548 1.4549 1.4549 1.9518 1.9518 1.9523 1.9523 5.6769 5.6769 5.6775 5.6775 6.1549 6.1549 6.1558 6.1558 6.7849 6.7849 6.7871 6.7871 k = 0.5000 0.1158-0.0000 ( 11566 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3924 -11.3924 -11.3906 -11.3906 -11.3778 -11.3778 -11.3762 -11.3762 -11.1489 -11.1489 -11.1414 -11.1414 -11.1303 -11.1303 -11.1291 -11.1291 -11.1010 -11.1010 -11.0988 -11.0988 -11.0880 -11.0880 -11.0796 -11.0796 -6.4442 -6.4442 -6.4440 -6.4440 -6.2334 -6.2334 -6.2329 -6.2329 -2.2198 -2.2198 -2.2190 -2.2190 -1.6208 -1.6208 -1.6205 -1.6205 -1.2594 -1.2594 -1.2590 -1.2590 -1.0652 -1.0652 -1.0644 -1.0644 1.4656 1.4656 1.4656 1.4656 1.9473 1.9473 1.9479 1.9479 5.6763 5.6763 5.6769 5.6769 6.1351 6.1351 6.1359 6.1359 6.7354 6.7354 6.7376 6.7376 k = 0.5000 0.1323-0.0000 ( 11570 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3925 -11.3925 -11.3904 -11.3904 -11.3785 -11.3785 -11.3767 -11.3767 -11.1496 -11.1496 -11.1416 -11.1416 -11.1308 -11.1308 -11.1297 -11.1297 -11.1007 -11.1007 -11.0991 -11.0991 -11.0870 -11.0870 -11.0785 -11.0785 -6.4421 -6.4421 -6.4419 -6.4419 -6.2328 -6.2328 -6.2323 -6.2323 -2.2270 -2.2270 -2.2262 -2.2262 -1.6175 -1.6175 -1.6172 -1.6172 -1.2730 -1.2730 -1.2726 -1.2726 -1.0536 -1.0536 -1.0529 -1.0529 1.4776 1.4776 1.4777 1.4777 1.9420 1.9420 1.9427 1.9427 5.6769 5.6769 5.6775 5.6775 6.1181 6.1181 6.1189 6.1189 6.6879 6.6879 6.6900 6.6900 k = 0.5000 0.1488-0.0000 ( 11578 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3926 -11.3926 -11.3903 -11.3903 -11.3792 -11.3792 -11.3772 -11.3772 -11.1502 -11.1502 -11.1419 -11.1419 -11.1313 -11.1313 -11.1303 -11.1303 -11.1003 -11.1003 -11.0994 -11.0994 -11.0858 -11.0858 -11.0774 -11.0774 -6.4398 -6.4398 -6.4396 -6.4396 -6.2322 -6.2322 -6.2316 -6.2316 -2.2348 -2.2348 -2.2339 -2.2339 -1.6141 -1.6141 -1.6137 -1.6137 -1.2863 -1.2863 -1.2860 -1.2860 -1.0425 -1.0425 -1.0418 -1.0418 1.4909 1.4909 1.4910 1.4910 1.9360 1.9360 1.9367 1.9367 5.6791 5.6791 5.6797 5.6797 6.1039 6.1039 6.1045 6.1045 6.6428 6.6428 6.6448 6.6448 k = 0.5000 0.1654-0.0000 ( 11568 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3927 -11.3927 -11.3902 -11.3902 -11.3799 -11.3799 -11.3777 -11.3777 -11.1508 -11.1508 -11.1422 -11.1422 -11.1317 -11.1317 -11.1310 -11.1310 -11.0999 -11.0999 -11.0995 -11.0995 -11.0845 -11.0845 -11.0764 -11.0764 -6.4374 -6.4374 -6.4372 -6.4372 -6.2315 -6.2315 -6.2309 -6.2309 -2.2428 -2.2428 -2.2420 -2.2420 -1.6104 -1.6104 -1.6100 -1.6100 -1.2992 -1.2992 -1.2990 -1.2990 -1.0319 -1.0319 -1.0311 -1.0311 1.5051 1.5051 1.5053 1.5053 1.9291 1.9291 1.9299 1.9299 5.6834 5.6834 5.6840 5.6840 6.0918 6.0918 6.0924 6.0924 6.6007 6.6007 6.6025 6.6025 k = 0.5000 0.1819-0.0000 ( 11564 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3927 -11.3927 -11.3901 -11.3901 -11.3807 -11.3807 -11.3783 -11.3783 -11.1512 -11.1512 -11.1427 -11.1427 -11.1322 -11.1322 -11.1317 -11.1317 -11.0996 -11.0996 -11.0995 -11.0995 -11.0832 -11.0832 -11.0754 -11.0754 -6.4349 -6.4349 -6.4347 -6.4347 -6.2308 -6.2308 -6.2302 -6.2302 -2.2511 -2.2511 -2.2502 -2.2502 -1.6067 -1.6067 -1.6062 -1.6062 -1.3117 -1.3117 -1.3115 -1.3115 -1.0218 -1.0218 -1.0211 -1.0211 1.5203 1.5203 1.5205 1.5205 1.9215 1.9215 1.9224 1.9224 5.6902 5.6902 5.6908 5.6908 6.0815 6.0815 6.0819 6.0819 6.5618 6.5618 6.5634 6.5634 k = 0.5000 0.1984-0.0000 ( 11560 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3928 -11.3928 -11.3900 -11.3900 -11.3814 -11.3814 -11.3789 -11.3789 -11.1516 -11.1516 -11.1432 -11.1432 -11.1328 -11.1328 -11.1324 -11.1324 -11.0996 -11.0996 -11.0991 -11.0991 -11.0820 -11.0820 -11.0745 -11.0745 -6.4324 -6.4324 -6.4322 -6.4322 -6.2301 -6.2301 -6.2295 -6.2295 -2.2595 -2.2595 -2.2586 -2.2586 -1.6029 -1.6029 -1.6023 -1.6023 -1.3236 -1.3236 -1.3236 -1.3236 -1.0122 -1.0122 -1.0116 -1.0116 1.5363 1.5363 1.5365 1.5365 1.9131 1.9131 1.9140 1.9140 5.6999 5.6999 5.7005 5.7005 6.0724 6.0724 6.0725 6.0725 6.5267 6.5267 6.5281 6.5281 k = 0.5000 0.2150-0.0000 ( 11566 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3928 -11.3928 -11.3898 -11.3898 -11.3822 -11.3822 -11.3795 -11.3795 -11.1520 -11.1520 -11.1438 -11.1438 -11.1333 -11.1333 -11.1330 -11.1330 -11.0996 -11.0996 -11.0987 -11.0987 -11.0807 -11.0807 -11.0737 -11.0737 -6.4298 -6.4298 -6.4296 -6.4296 -6.2294 -6.2294 -6.2288 -6.2288 -2.2677 -2.2677 -2.2669 -2.2669 -1.5992 -1.5992 -1.5985 -1.5985 -1.3350 -1.3350 -1.3349 -1.3349 -1.0033 -1.0033 -1.0027 -1.0027 1.5529 1.5529 1.5531 1.5531 1.9040 1.9040 1.9049 1.9049 5.7127 5.7127 5.7133 5.7133 6.0638 6.0638 6.0638 6.0638 6.4956 6.4956 6.4967 6.4967 k = 0.5000 0.2315-0.0000 ( 11564 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3928 -11.3928 -11.3897 -11.3897 -11.3830 -11.3830 -11.3801 -11.3801 -11.1522 -11.1522 -11.1444 -11.1444 -11.1338 -11.1338 -11.1337 -11.1337 -11.0995 -11.0995 -11.0983 -11.0983 -11.0795 -11.0795 -11.0729 -11.0729 -6.4273 -6.4273 -6.4271 -6.4271 -6.2287 -6.2287 -6.2281 -6.2281 -2.2758 -2.2758 -2.2750 -2.2750 -1.5955 -1.5955 -1.5948 -1.5948 -1.3457 -1.3457 -1.3455 -1.3455 -0.9951 -0.9951 -0.9945 -0.9945 1.5700 1.5700 1.5702 1.5702 1.8941 1.8941 1.8950 1.8950 5.7288 5.7288 5.7293 5.7293 6.0552 6.0552 6.0554 6.0554 6.4687 6.4687 6.4696 6.4696 k = 0.5000 0.2481-0.0000 ( 11580 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3928 -11.3928 -11.3896 -11.3896 -11.3837 -11.3837 -11.3808 -11.3808 -11.1524 -11.1524 -11.1450 -11.1450 -11.1343 -11.1343 -11.1343 -11.1343 -11.0993 -11.0993 -11.0979 -11.0979 -11.0783 -11.0783 -11.0723 -11.0723 -6.4249 -6.4249 -6.4247 -6.4247 -6.2280 -6.2280 -6.2275 -6.2275 -2.2835 -2.2835 -2.2827 -2.2827 -1.5920 -1.5920 -1.5912 -1.5912 -1.3556 -1.3556 -1.3554 -1.3554 -0.9875 -0.9875 -0.9870 -0.9870 1.5874 1.5874 1.5877 1.5877 1.8834 1.8834 1.8844 1.8844 5.7481 5.7481 5.7486 5.7486 6.0465 6.0465 6.0470 6.0470 6.4461 6.4461 6.4467 6.4467 k = 0.5000 0.2646-0.0000 ( 11574 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3928 -11.3928 -11.3895 -11.3895 -11.3844 -11.3844 -11.3814 -11.3814 -11.1525 -11.1525 -11.1457 -11.1457 -11.1348 -11.1348 -11.1348 -11.1348 -11.0990 -11.0990 -11.0976 -11.0976 -11.0772 -11.0772 -11.0718 -11.0718 -6.4226 -6.4226 -6.4224 -6.4224 -6.2274 -6.2274 -6.2269 -6.2269 -2.2907 -2.2907 -2.2900 -2.2900 -1.5886 -1.5886 -1.5878 -1.5878 -1.3648 -1.3648 -1.3645 -1.3645 -0.9807 -0.9807 -0.9802 -0.9802 1.6050 1.6050 1.6053 1.6053 1.8721 1.8721 1.8731 1.8731 5.7706 5.7706 5.7710 5.7710 6.0377 6.0377 6.0383 6.0383 6.4276 6.4276 6.4280 6.4280 k = 0.5000 0.2811-0.0000 ( 11578 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3927 -11.3927 -11.3894 -11.3894 -11.3851 -11.3851 -11.3820 -11.3820 -11.1525 -11.1525 -11.1463 -11.1463 -11.1353 -11.1353 -11.1353 -11.1353 -11.0988 -11.0988 -11.0974 -11.0974 -11.0761 -11.0761 -11.0713 -11.0713 -6.4204 -6.4204 -6.4202 -6.4202 -6.2268 -6.2268 -6.2263 -6.2263 -2.2974 -2.2974 -2.2967 -2.2967 -1.5855 -1.5855 -1.5847 -1.5847 -1.3730 -1.3730 -1.3727 -1.3727 -0.9746 -0.9746 -0.9741 -0.9741 1.6226 1.6226 1.6230 1.6230 1.8602 1.8602 1.8612 1.8612 5.7959 5.7959 5.7962 5.7962 6.0287 6.0287 6.0294 6.0294 6.4131 6.4131 6.4133 6.4133 k = 0.5000 0.2977-0.0000 ( 11566 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3925 -11.3925 -11.3894 -11.3894 -11.3856 -11.3856 -11.3826 -11.3826 -11.1524 -11.1524 -11.1470 -11.1470 -11.1358 -11.1358 -11.1358 -11.1358 -11.0985 -11.0985 -11.0971 -11.0971 -11.0751 -11.0751 -11.0710 -11.0710 -6.4184 -6.4184 -6.4182 -6.4182 -6.2263 -6.2263 -6.2258 -6.2258 -2.3033 -2.3033 -2.3028 -2.3028 -1.5826 -1.5826 -1.5819 -1.5819 -1.3803 -1.3803 -1.3800 -1.3800 -0.9692 -0.9692 -0.9688 -0.9688 1.6402 1.6402 1.6406 1.6406 1.8478 1.8478 1.8487 1.8487 5.8234 5.8234 5.8236 5.8236 6.0198 6.0198 6.0206 6.0206 6.4020 6.4020 6.4020 6.4020 k = 0.5000 0.3142-0.0000 ( 11582 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3924 -11.3924 -11.3894 -11.3894 -11.3860 -11.3860 -11.3832 -11.3832 -11.1523 -11.1523 -11.1476 -11.1476 -11.1361 -11.1361 -11.1361 -11.1361 -11.0982 -11.0982 -11.0970 -11.0970 -11.0743 -11.0743 -11.0707 -11.0707 -6.4167 -6.4167 -6.4165 -6.4165 -6.2258 -6.2258 -6.2254 -6.2254 -2.3085 -2.3085 -2.3080 -2.3080 -1.5801 -1.5801 -1.5794 -1.5794 -1.3866 -1.3866 -1.3862 -1.3862 -0.9646 -0.9646 -0.9643 -0.9643 1.6574 1.6574 1.6579 1.6579 1.8349 1.8349 1.8359 1.8359 5.8522 5.8522 5.8523 5.8523 6.0115 6.0115 6.0123 6.0123 6.3937 6.3937 6.3938 6.3938 k = 0.5000 0.3307-0.0000 ( 11578 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3922 -11.3922 -11.3896 -11.3896 -11.3862 -11.3862 -11.3838 -11.3838 -11.1521 -11.1521 -11.1483 -11.1483 -11.1365 -11.1365 -11.1365 -11.1365 -11.0979 -11.0979 -11.0969 -11.0969 -11.0734 -11.0734 -11.0706 -11.0706 -6.4152 -6.4152 -6.4151 -6.4151 -6.2254 -6.2254 -6.2251 -6.2251 -2.3129 -2.3129 -2.3125 -2.3125 -1.5780 -1.5780 -1.5774 -1.5774 -1.3918 -1.3918 -1.3914 -1.3914 -0.9608 -0.9608 -0.9606 -0.9606 1.6742 1.6742 1.6747 1.6747 1.8219 1.8219 1.8228 1.8228 5.8809 5.8809 5.8810 5.8810 6.0040 6.0040 6.0047 6.0047 6.3879 6.3879 6.3880 6.3880 k = 0.5000 0.3473-0.0000 ( 11574 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3919 -11.3919 -11.3898 -11.3898 -11.3863 -11.3863 -11.3843 -11.3843 -11.1518 -11.1518 -11.1489 -11.1489 -11.1367 -11.1367 -11.1367 -11.1367 -11.0977 -11.0977 -11.0969 -11.0969 -11.0727 -11.0727 -11.0706 -11.0706 -6.4140 -6.4140 -6.4139 -6.4139 -6.2251 -6.2251 -6.2248 -6.2248 -2.3163 -2.3163 -2.3160 -2.3160 -1.5762 -1.5762 -1.5758 -1.5758 -1.3958 -1.3958 -1.3956 -1.3956 -0.9579 -0.9579 -0.9577 -0.9577 1.6900 1.6900 1.6905 1.6905 1.8090 1.8090 1.8098 1.8098 5.9077 5.9077 5.9077 5.9077 5.9977 5.9977 5.9984 5.9984 6.3839 6.3839 6.3840 6.3840 k = 0.5000 0.3638-0.0000 ( 11572 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3916 -11.3916 -11.3902 -11.3902 -11.3862 -11.3862 -11.3848 -11.3848 -11.1514 -11.1514 -11.1495 -11.1495 -11.1369 -11.1369 -11.1369 -11.1369 -11.0974 -11.0974 -11.0969 -11.0969 -11.0721 -11.0721 -11.0707 -11.0707 -6.4132 -6.4132 -6.4131 -6.4131 -6.2248 -6.2248 -6.2247 -6.2247 -2.3188 -2.3188 -2.3186 -2.3186 -1.5749 -1.5749 -1.5746 -1.5746 -1.3987 -1.3987 -1.3986 -1.3986 -0.9557 -0.9557 -0.9556 -0.9556 1.7041 1.7041 1.7046 1.7046 1.7970 1.7970 1.7977 1.7977 5.9301 5.9301 5.9302 5.9302 5.9930 5.9930 5.9936 5.9936 6.3815 6.3815 6.3815 6.3815 k = 0.5000 0.3804-0.0000 ( 11576 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3913 -11.3913 -11.3906 -11.3906 -11.3859 -11.3859 -11.3852 -11.3852 -11.1510 -11.1510 -11.1500 -11.1500 -11.1370 -11.1370 -11.1370 -11.1370 -11.0972 -11.0972 -11.0969 -11.0969 -11.0716 -11.0716 -11.0709 -11.0709 -6.4126 -6.4126 -6.4126 -6.4126 -6.2247 -6.2247 -6.2246 -6.2246 -2.3203 -2.3203 -2.3202 -2.3202 -1.5741 -1.5741 -1.5740 -1.5740 -1.4005 -1.4005 -1.4004 -1.4004 -0.9544 -0.9544 -0.9544 -0.9544 1.7149 1.7149 1.7153 1.7153 1.7877 1.7877 1.7881 1.7881 5.9452 5.9452 5.9453 5.9453 5.9901 5.9901 5.9905 5.9905 6.3801 6.3801 6.3802 6.3802 k = 0.5000 0.3969-0.0000 ( 11588 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3909 -11.3909 -11.3909 -11.3909 -11.3856 -11.3856 -11.3856 -11.3856 -11.1506 -11.1506 -11.1506 -11.1506 -11.1371 -11.1371 -11.1371 -11.1371 -11.0971 -11.0971 -11.0971 -11.0971 -11.0712 -11.0712 -11.0712 -11.0712 -6.4125 -6.4125 -6.4125 -6.4125 -6.2246 -6.2246 -6.2246 -6.2246 -2.3207 -2.3207 -2.3207 -2.3207 -1.5738 -1.5738 -1.5738 -1.5738 -1.4010 -1.4010 -1.4010 -1.4010 -0.9540 -0.9540 -0.9540 -0.9540 1.7194 1.7194 1.7194 1.7194 1.7840 1.7840 1.7840 1.7840 5.9507 5.9507 5.9507 5.9507 5.9893 5.9893 5.9893 5.9893 6.3797 6.3797 6.3797 6.3797 k = 0.5000 0.3969-0.0000 ( 11588 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3909 -11.3909 -11.3909 -11.3909 -11.3856 -11.3856 -11.3856 -11.3856 -11.1506 -11.1506 -11.1506 -11.1506 -11.1371 -11.1371 -11.1371 -11.1371 -11.0971 -11.0971 -11.0971 -11.0971 -11.0712 -11.0712 -11.0712 -11.0712 -6.4125 -6.4125 -6.4125 -6.4125 -6.2246 -6.2246 -6.2246 -6.2246 -2.3207 -2.3207 -2.3207 -2.3207 -1.5738 -1.5738 -1.5738 -1.5738 -1.4010 -1.4010 -1.4010 -1.4010 -0.9540 -0.9540 -0.9540 -0.9540 1.7194 1.7194 1.7194 1.7194 1.7840 1.7840 1.7840 1.7840 5.9507 5.9507 5.9507 5.9507 5.9893 5.9893 5.9893 5.9893 6.3797 6.3797 6.3797 6.3797 k = 0.4833 0.3969-0.0000 ( 11588 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3912 -11.3912 -11.3906 -11.3906 -11.3859 -11.3859 -11.3853 -11.3853 -11.1512 -11.1512 -11.1499 -11.1499 -11.1374 -11.1374 -11.1366 -11.1366 -11.0975 -11.0975 -11.0966 -11.0966 -11.0714 -11.0714 -11.0710 -11.0710 -6.4134 -6.4134 -6.4133 -6.4133 -6.2241 -6.2241 -6.2240 -6.2240 -2.3204 -2.3204 -2.3203 -2.3203 -1.5737 -1.5737 -1.5733 -1.5733 -1.4005 -1.4005 -1.4001 -1.4001 -0.9543 -0.9543 -0.9543 -0.9543 1.7172 1.7172 1.7175 1.7175 1.7859 1.7859 1.7862 1.7862 5.9418 5.9418 5.9431 5.9431 5.9896 5.9896 5.9912 5.9912 6.3879 6.3879 6.3882 6.3882 k = 0.4667 0.3969-0.0000 ( 11572 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3915 -11.3915 -11.3903 -11.3903 -11.3861 -11.3861 -11.3849 -11.3849 -11.1518 -11.1518 -11.1491 -11.1491 -11.1378 -11.1378 -11.1360 -11.1360 -11.0979 -11.0979 -11.0962 -11.0962 -11.0717 -11.0717 -11.0709 -11.0709 -6.4160 -6.4160 -6.4157 -6.4157 -6.2225 -6.2225 -6.2224 -6.2224 -2.3192 -2.3192 -2.3190 -2.3190 -1.5730 -1.5730 -1.5722 -1.5722 -1.3984 -1.3984 -1.3976 -1.3976 -0.9551 -0.9551 -0.9551 -0.9551 1.7114 1.7114 1.7119 1.7119 1.7912 1.7912 1.7917 1.7917 5.9211 5.9211 5.9227 5.9227 5.9901 5.9901 5.9922 5.9922 6.4116 6.4116 6.4122 6.4122 k = 0.4500 0.3969-0.0000 ( 11578 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3917 -11.3917 -11.3899 -11.3899 -11.3862 -11.3862 -11.3844 -11.3844 -11.1524 -11.1524 -11.1484 -11.1484 -11.1380 -11.1380 -11.1354 -11.1354 -11.0984 -11.0984 -11.0958 -11.0958 -11.0721 -11.0721 -11.0709 -11.0709 -6.4201 -6.4201 -6.4198 -6.4198 -6.2201 -6.2201 -6.2199 -6.2199 -2.3172 -2.3172 -2.3170 -2.3170 -1.5718 -1.5718 -1.5705 -1.5705 -1.3949 -1.3949 -1.3936 -1.3936 -0.9565 -0.9565 -0.9565 -0.9565 1.7032 1.7032 1.7038 1.7038 1.7989 1.7989 1.7995 1.7995 5.8935 5.8935 5.8949 5.8949 5.9879 5.9879 5.9899 5.9899 6.4477 6.4477 6.4485 6.4485 k = 0.4333 0.3969-0.0000 ( 11570 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3919 -11.3919 -11.3896 -11.3896 -11.3862 -11.3862 -11.3839 -11.3839 -11.1529 -11.1529 -11.1476 -11.1476 -11.1382 -11.1382 -11.1348 -11.1348 -11.0987 -11.0987 -11.0953 -11.0953 -11.0725 -11.0725 -11.0709 -11.0709 -6.4257 -6.4257 -6.4253 -6.4253 -6.2168 -6.2168 -6.2165 -6.2165 -2.3145 -2.3145 -2.3142 -2.3142 -1.5699 -1.5699 -1.5683 -1.5683 -1.3898 -1.3898 -1.3881 -1.3881 -0.9584 -0.9584 -0.9583 -0.9583 1.6932 1.6932 1.6939 1.6939 1.8081 1.8081 1.8087 1.8087 5.8619 5.8619 5.8631 5.8631 5.9826 5.9826 5.9844 5.9844 6.4933 6.4933 6.4941 6.4941 k = 0.4167 0.3969-0.0000 ( 11574 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3921 -11.3921 -11.3894 -11.3894 -11.3860 -11.3860 -11.3834 -11.3834 -11.1534 -11.1534 -11.1468 -11.1468 -11.1384 -11.1384 -11.1340 -11.1340 -11.0991 -11.0991 -11.0950 -11.0950 -11.0729 -11.0729 -11.0710 -11.0710 -6.4325 -6.4325 -6.4320 -6.4320 -6.2128 -6.2128 -6.2125 -6.2125 -2.3111 -2.3111 -2.3108 -2.3108 -1.5675 -1.5675 -1.5654 -1.5654 -1.3832 -1.3832 -1.3811 -1.3811 -0.9608 -0.9608 -0.9608 -0.9608 1.6819 1.6819 1.6827 1.6827 1.8184 1.8184 1.8190 1.8190 5.8285 5.8285 5.8294 5.8294 5.9742 5.9742 5.9757 5.9757 6.5397 6.5397 6.5408 6.5408 k = 0.4000 0.3969-0.0000 ( 11566 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3923 -11.3923 -11.3893 -11.3893 -11.3857 -11.3857 -11.3828 -11.3828 -11.1538 -11.1538 -11.1460 -11.1460 -11.1385 -11.1385 -11.1332 -11.1332 -11.0995 -11.0995 -11.0946 -11.0946 -11.0735 -11.0735 -11.0711 -11.0711 -6.4403 -6.4403 -6.4398 -6.4398 -6.2084 -6.2084 -6.2081 -6.2081 -2.3072 -2.3072 -2.3069 -2.3069 -1.5643 -1.5643 -1.5619 -1.5619 -1.3751 -1.3751 -1.3727 -1.3727 -0.9637 -0.9637 -0.9637 -0.9637 1.6696 1.6696 1.6704 1.6704 1.8294 1.8294 1.8301 1.8301 5.7945 5.7945 5.7952 5.7952 5.9628 5.9628 5.9640 5.9640 6.5375 6.5375 6.5388 6.5388 k = 0.3833 0.3969-0.0000 ( 11574 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3924 -11.3924 -11.3893 -11.3893 -11.3852 -11.3852 -11.3821 -11.3821 -11.1542 -11.1542 -11.1451 -11.1451 -11.1386 -11.1386 -11.1323 -11.1323 -11.0998 -11.0998 -11.0943 -11.0943 -11.0740 -11.0740 -11.0713 -11.0713 -6.4490 -6.4490 -6.4484 -6.4484 -6.2036 -6.2036 -6.2033 -6.2033 -2.3028 -2.3028 -2.3024 -2.3024 -1.5606 -1.5606 -1.5578 -1.5578 -1.3656 -1.3656 -1.3628 -1.3628 -0.9672 -0.9672 -0.9671 -0.9671 1.6563 1.6563 1.6572 1.6572 1.8410 1.8410 1.8417 1.8417 5.7611 5.7611 5.7615 5.7615 5.9484 5.9484 5.9492 5.9492 6.5354 6.5354 6.5370 6.5370 k = 0.3667 0.3969-0.0000 ( 11570 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3925 -11.3925 -11.3893 -11.3893 -11.3845 -11.3845 -11.3815 -11.3815 -11.1545 -11.1545 -11.1442 -11.1442 -11.1386 -11.1386 -11.1314 -11.1314 -11.1001 -11.1001 -11.0940 -11.0940 -11.0746 -11.0746 -11.0716 -11.0716 -6.4584 -6.4584 -6.4577 -6.4577 -6.1986 -6.1986 -6.1983 -6.1983 -2.2980 -2.2980 -2.2976 -2.2976 -1.5561 -1.5561 -1.5530 -1.5530 -1.3547 -1.3547 -1.3516 -1.3516 -0.9711 -0.9711 -0.9710 -0.9710 1.6422 1.6422 1.6430 1.6430 1.8531 1.8531 1.8538 1.8538 5.7287 5.7287 5.7289 5.7289 5.9311 5.9311 5.9315 5.9315 6.5351 6.5351 6.5370 6.5370 k = 0.3500 0.3969-0.0000 ( 11578 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3926 -11.3926 -11.3894 -11.3894 -11.3838 -11.3838 -11.3807 -11.3807 -11.1548 -11.1548 -11.1433 -11.1433 -11.1386 -11.1386 -11.1303 -11.1303 -11.1003 -11.1003 -11.0938 -11.0938 -11.0753 -11.0753 -11.0720 -11.0720 -6.4682 -6.4682 -6.4675 -6.4675 -6.1935 -6.1935 -6.1932 -6.1932 -2.2930 -2.2930 -2.2926 -2.2926 -1.5509 -1.5509 -1.5476 -1.5476 -1.3424 -1.3424 -1.3390 -1.3390 -0.9755 -0.9755 -0.9753 -0.9753 1.6271 1.6271 1.6280 1.6280 1.8656 1.8656 1.8663 1.8663 5.6978 5.6978 5.6979 5.6979 5.9112 5.9112 5.9112 5.9112 6.5370 6.5370 6.5392 6.5392 k = 0.3333 0.3969-0.0000 ( 11578 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6838 -27.6838 -27.6838 -27.6838 -11.3927 -11.3927 -11.3896 -11.3896 -11.3829 -11.3829 -11.3800 -11.3800 -11.1550 -11.1550 -11.1424 -11.1424 -11.1385 -11.1385 -11.1292 -11.1292 -11.1005 -11.1005 -11.0936 -11.0936 -11.0760 -11.0760 -11.0724 -11.0724 -6.4784 -6.4784 -6.4777 -6.4777 -6.1884 -6.1884 -6.1881 -6.1881 -2.2879 -2.2879 -2.2874 -2.2874 -1.5449 -1.5449 -1.5413 -1.5413 -1.3288 -1.3288 -1.3251 -1.3251 -0.9803 -0.9803 -0.9801 -0.9801 1.6113 1.6113 1.6122 1.6122 1.8784 1.8784 1.8792 1.8792 5.6684 5.6684 5.6688 5.6688 5.8886 5.8886 5.8890 5.8890 6.5411 6.5411 6.5436 6.5436 k = 0.3167 0.3969-0.0000 ( 11574 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6837 -27.6837 -27.6837 -27.6837 -11.3928 -11.3928 -11.3897 -11.3897 -11.3821 -11.3821 -11.3792 -11.3792 -11.1552 -11.1552 -11.1416 -11.1416 -11.1383 -11.1383 -11.1281 -11.1281 -11.1006 -11.1006 -11.0934 -11.0934 -11.0768 -11.0768 -11.0729 -11.0729 -6.4889 -6.4889 -6.4882 -6.4882 -6.1834 -6.1834 -6.1831 -6.1831 -2.2827 -2.2827 -2.2823 -2.2823 -1.5381 -1.5381 -1.5344 -1.5344 -1.3141 -1.3141 -1.3101 -1.3101 -0.9855 -0.9855 -0.9852 -0.9852 1.5946 1.5946 1.5955 1.5955 1.8914 1.8914 1.8922 1.8922 5.6409 5.6409 5.6416 5.6416 5.8642 5.8642 5.8650 5.8650 6.5473 6.5473 6.5501 6.5501 k = 0.3000 0.3969-0.0000 ( 11552 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6837 -27.6837 -27.6837 -27.6837 -11.3928 -11.3928 -11.3899 -11.3899 -11.3811 -11.3811 -11.3783 -11.3783 -11.1552 -11.1552 -11.1410 -11.1410 -11.1379 -11.1379 -11.1268 -11.1268 -11.1007 -11.1007 -11.0933 -11.0933 -11.0776 -11.0776 -11.0734 -11.0734 -6.4994 -6.4994 -6.4987 -6.4987 -6.1784 -6.1784 -6.1782 -6.1782 -2.2777 -2.2777 -2.2772 -2.2772 -1.5306 -1.5306 -1.5267 -1.5267 -1.2983 -1.2983 -1.2941 -1.2941 -0.9910 -0.9910 -0.9907 -0.9907 1.5772 1.5772 1.5781 1.5781 1.9045 1.9045 1.9053 1.9053 5.6155 5.6155 5.6165 5.6165 5.8385 5.8385 5.8398 5.8398 6.5554 6.5554 6.5585 6.5585 k = 0.2833 0.3969-0.0000 ( 11548 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6837 -27.6837 -27.6837 -27.6837 -11.3929 -11.3929 -11.3901 -11.3901 -11.3802 -11.3802 -11.3775 -11.3775 -11.1553 -11.1553 -11.1406 -11.1406 -11.1372 -11.1372 -11.1256 -11.1256 -11.1007 -11.1007 -11.0933 -11.0933 -11.0784 -11.0784 -11.0740 -11.0740 -6.5100 -6.5100 -6.5093 -6.5093 -6.1737 -6.1737 -6.1734 -6.1734 -2.2728 -2.2728 -2.2723 -2.2723 -1.5223 -1.5223 -1.5182 -1.5182 -1.2817 -1.2817 -1.2772 -1.2772 -0.9968 -0.9968 -0.9964 -0.9964 1.5591 1.5591 1.5601 1.5601 1.9176 1.9176 1.9184 1.9184 5.5920 5.5920 5.5935 5.5935 5.8122 5.8122 5.8140 5.8140 6.5651 6.5651 6.5684 6.5684 k = 0.2667 0.3969-0.0000 ( 11540 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6837 -27.6837 -27.6837 -27.6837 -11.3930 -11.3930 -11.3903 -11.3903 -11.3792 -11.3792 -11.3766 -11.3766 -11.1552 -11.1552 -11.1404 -11.1404 -11.1363 -11.1363 -11.1242 -11.1242 -11.1006 -11.1006 -11.0934 -11.0934 -11.0792 -11.0792 -11.0747 -11.0747 -6.5205 -6.5205 -6.5198 -6.5198 -6.1691 -6.1691 -6.1688 -6.1688 -2.2682 -2.2682 -2.2676 -2.2676 -1.5132 -1.5132 -1.5091 -1.5091 -1.2643 -1.2643 -1.2597 -1.2597 -1.0029 -1.0029 -1.0023 -1.0023 1.5405 1.5405 1.5414 1.5414 1.9306 1.9306 1.9314 1.9314 5.5704 5.5704 5.5724 5.5724 5.7859 5.7859 5.7883 5.7883 6.5758 6.5758 6.5793 6.5793 k = 0.2500 0.3969-0.0000 ( 11532 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6837 -27.6837 -27.6837 -27.6837 -11.3930 -11.3930 -11.3905 -11.3905 -11.3782 -11.3782 -11.3758 -11.3758 -11.1551 -11.1551 -11.1404 -11.1404 -11.1352 -11.1352 -11.1228 -11.1228 -11.1005 -11.1005 -11.0936 -11.0936 -11.0801 -11.0801 -11.0754 -11.0754 -6.5308 -6.5308 -6.5302 -6.5302 -6.1647 -6.1647 -6.1645 -6.1645 -2.2639 -2.2639 -2.2633 -2.2633 -1.5035 -1.5035 -1.4992 -1.4992 -1.2465 -1.2465 -1.2417 -1.2417 -1.0090 -1.0090 -1.0083 -1.0083 1.5215 1.5215 1.5224 1.5224 1.9433 1.9433 1.9441 1.9441 5.5507 5.5507 5.5531 5.5531 5.7601 5.7601 5.7631 5.7631 6.5871 6.5871 6.5908 6.5908 k = 0.2333 0.3969-0.0000 ( 11540 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6837 -27.6837 -27.6837 -27.6837 -11.3931 -11.3931 -11.3907 -11.3907 -11.3772 -11.3772 -11.3749 -11.3749 -11.1549 -11.1549 -11.1405 -11.1405 -11.1339 -11.1339 -11.1214 -11.1214 -11.1004 -11.1004 -11.0938 -11.0938 -11.0810 -11.0810 -11.0762 -11.0762 -6.5408 -6.5408 -6.5402 -6.5402 -6.1606 -6.1606 -6.1604 -6.1604 -2.2600 -2.2600 -2.2595 -2.2595 -1.4930 -1.4930 -1.4888 -1.4888 -1.2285 -1.2285 -1.2235 -1.2235 -1.0151 -1.0151 -1.0143 -1.0143 1.5021 1.5021 1.5030 1.5030 1.9558 1.9558 1.9566 1.9566 5.5326 5.5326 5.5355 5.5355 5.7357 5.7357 5.7392 5.7392 6.5986 6.5986 6.6025 6.6025 k = 0.2167 0.3969-0.0000 ( 11552 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6837 -27.6837 -27.6837 -27.6837 -11.3932 -11.3932 -11.3909 -11.3909 -11.3762 -11.3762 -11.3741 -11.3741 -11.1547 -11.1547 -11.1407 -11.1407 -11.1326 -11.1326 -11.1199 -11.1199 -11.1002 -11.1002 -11.0942 -11.0942 -11.0818 -11.0818 -11.0771 -11.0771 -6.5505 -6.5505 -6.5500 -6.5500 -6.1567 -6.1567 -6.1566 -6.1566 -2.2565 -2.2565 -2.2560 -2.2560 -1.4820 -1.4820 -1.4778 -1.4778 -1.2107 -1.2107 -1.2055 -1.2055 -1.0211 -1.0211 -1.0201 -1.0201 1.4826 1.4826 1.4835 1.4835 1.9678 1.9678 1.9686 1.9686 5.5158 5.5158 5.5192 5.5192 5.7130 5.7130 5.7171 5.7171 6.6097 6.6097 6.6137 6.6137 k = 0.2000 0.3969-0.0000 ( 11556 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6837 -27.6837 -27.6837 -27.6837 -11.3932 -11.3932 -11.3911 -11.3911 -11.3753 -11.3753 -11.3733 -11.3733 -11.1544 -11.1544 -11.1410 -11.1410 -11.1312 -11.1312 -11.1185 -11.1185 -11.0999 -11.0999 -11.0946 -11.0946 -11.0827 -11.0827 -11.0780 -11.0780 -6.5598 -6.5598 -6.5593 -6.5593 -6.1531 -6.1531 -6.1530 -6.1530 -2.2534 -2.2534 -2.2529 -2.2529 -1.4705 -1.4705 -1.4664 -1.4664 -1.1935 -1.1935 -1.1881 -1.1881 -1.0267 -1.0267 -1.0253 -1.0253 1.4632 1.4632 1.4640 1.4640 1.9793 1.9793 1.9801 1.9801 5.5003 5.5003 5.5041 5.5041 5.6928 5.6928 5.6973 5.6973 6.6201 6.6201 6.6240 6.6240 k = 0.1833 0.3969-0.0000 ( 11568 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6838 -27.6838 -27.6838 -27.6838 -11.3933 -11.3933 -11.3913 -11.3913 -11.3744 -11.3744 -11.3726 -11.3726 -11.1540 -11.1540 -11.1413 -11.1413 -11.1297 -11.1297 -11.1170 -11.1170 -11.0997 -11.0997 -11.0951 -11.0951 -11.0835 -11.0835 -11.0790 -11.0790 -6.5686 -6.5686 -6.5681 -6.5681 -6.1498 -6.1498 -6.1497 -6.1497 -2.2507 -2.2507 -2.2503 -2.2503 -1.4587 -1.4587 -1.4546 -1.4546 -1.1775 -1.1775 -1.1718 -1.1718 -1.0314 -1.0314 -1.0298 -1.0298 1.4440 1.4440 1.4448 1.4448 1.9902 1.9902 1.9909 1.9909 5.4857 5.4857 5.4899 5.4899 5.6754 5.6754 5.6802 5.6802 6.6294 6.6294 6.6332 6.6332 k = 0.1667 0.3969-0.0000 ( 11556 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6838 -27.6838 -27.6838 -27.6838 -11.3933 -11.3933 -11.3916 -11.3916 -11.3735 -11.3735 -11.3718 -11.3718 -11.1536 -11.1536 -11.1417 -11.1417 -11.1281 -11.1281 -11.1155 -11.1155 -11.0993 -11.0993 -11.0958 -11.0958 -11.0843 -11.0843 -11.0800 -11.0800 -6.5769 -6.5769 -6.5764 -6.5764 -6.1467 -6.1467 -6.1467 -6.1467 -2.2485 -2.2485 -2.2481 -2.2481 -1.4467 -1.4467 -1.4427 -1.4427 -1.1632 -1.1632 -1.1574 -1.1574 -1.0348 -1.0348 -1.0329 -1.0329 1.4253 1.4253 1.4261 1.4261 2.0003 2.0003 2.0011 2.0011 5.4718 5.4718 5.4762 5.4762 5.6612 5.6612 5.6662 5.6662 6.6373 6.6373 6.6410 6.6410 k = 0.1500 0.3969-0.0000 ( 11560 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3934 -11.3934 -11.3918 -11.3918 -11.3727 -11.3727 -11.3712 -11.3712 -11.1532 -11.1532 -11.1422 -11.1422 -11.1266 -11.1266 -11.1140 -11.1140 -11.0990 -11.0990 -11.0965 -11.0965 -11.0850 -11.0850 -11.0810 -11.0810 -6.5845 -6.5845 -6.5841 -6.5841 -6.1440 -6.1440 -6.1439 -6.1439 -2.2466 -2.2466 -2.2462 -2.2462 -1.4346 -1.4346 -1.4308 -1.4308 -1.1516 -1.1516 -1.1458 -1.1458 -1.0362 -1.0362 -1.0342 -1.0342 1.4073 1.4073 1.4080 1.4080 2.0097 2.0097 2.0104 2.0104 5.4586 5.4586 5.4630 5.4630 5.6502 5.6502 5.6553 5.6553 6.6436 6.6436 6.6471 6.6471 k = 0.1333 0.3969-0.0000 ( 11552 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3934 -11.3934 -11.3920 -11.3920 -11.3719 -11.3719 -11.3706 -11.3706 -11.1527 -11.1527 -11.1426 -11.1426 -11.1250 -11.1250 -11.1126 -11.1126 -11.0986 -11.0986 -11.0973 -11.0973 -11.0857 -11.0857 -11.0821 -11.0821 -6.5915 -6.5915 -6.5911 -6.5911 -6.1415 -6.1415 -6.1414 -6.1414 -2.2451 -2.2451 -2.2447 -2.2447 -1.4227 -1.4227 -1.4191 -1.4191 -1.1431 -1.1431 -1.1375 -1.1375 -1.0351 -1.0351 -1.0331 -1.0331 1.3903 1.3903 1.3910 1.3910 2.0183 2.0183 2.0190 2.0190 5.4461 5.4461 5.4503 5.4503 5.6425 5.6425 5.6473 5.6473 6.6484 6.6484 6.6516 6.6516 k = 0.1167 0.3969-0.0000 ( 11550 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3934 -11.3934 -11.3922 -11.3922 -11.3712 -11.3712 -11.3700 -11.3700 -11.1521 -11.1521 -11.1432 -11.1432 -11.1233 -11.1233 -11.1113 -11.1113 -11.0982 -11.0982 -11.0981 -11.0981 -11.0864 -11.0864 -11.0832 -11.0832 -6.5978 -6.5978 -6.5974 -6.5974 -6.1393 -6.1393 -6.1393 -6.1393 -2.2438 -2.2438 -2.2435 -2.2435 -1.4111 -1.4111 -1.4077 -1.4077 -1.1382 -1.1382 -1.1331 -1.1331 -1.0313 -1.0313 -1.0295 -1.0295 1.3745 1.3745 1.3751 1.3751 2.0260 2.0260 2.0266 2.0266 5.4344 5.4344 5.4383 5.4383 5.6376 5.6376 5.6421 5.6421 6.6517 6.6517 6.6545 6.6545 k = 0.1000 0.3969-0.0000 ( 11546 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3934 -11.3934 -11.3923 -11.3923 -11.3706 -11.3706 -11.3696 -11.3696 -11.1516 -11.1516 -11.1437 -11.1437 -11.1216 -11.1216 -11.1102 -11.1102 -11.0988 -11.0988 -11.0978 -11.0978 -11.0869 -11.0869 -11.0843 -11.0843 -6.6033 -6.6033 -6.6030 -6.6030 -6.1374 -6.1374 -6.1374 -6.1374 -2.2428 -2.2428 -2.2426 -2.2426 -1.4001 -1.4001 -1.3971 -1.3971 -1.1363 -1.1363 -1.1319 -1.1319 -1.0255 -1.0255 -1.0240 -1.0240 1.3602 1.3602 1.3607 1.3607 2.0327 2.0327 2.0332 2.0332 5.4236 5.4236 5.4272 5.4272 5.6352 5.6352 5.6392 5.6392 6.6536 6.6536 6.6560 6.6560 k = 0.0833 0.3969-0.0000 ( 11546 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3934 -11.3934 -11.3925 -11.3925 -11.3700 -11.3700 -11.3692 -11.3692 -11.1509 -11.1509 -11.1443 -11.1443 -11.1200 -11.1200 -11.1094 -11.1094 -11.0994 -11.0994 -11.0975 -11.0975 -11.0875 -11.0875 -11.0854 -11.0854 -6.6080 -6.6080 -6.6078 -6.6078 -6.1358 -6.1358 -6.1358 -6.1358 -2.2421 -2.2421 -2.2419 -2.2419 -1.3900 -1.3900 -1.3873 -1.3873 -1.1367 -1.1367 -1.1330 -1.1330 -1.0185 -1.0185 -1.0174 -1.0174 1.3476 1.3476 1.3481 1.3481 2.0384 2.0384 2.0389 2.0389 5.4141 5.4141 5.4172 5.4172 5.6345 5.6345 5.6380 5.6380 6.6543 6.6543 6.6562 6.6562 k = 0.0667 0.3969-0.0000 ( 11552 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3934 -11.3934 -11.3927 -11.3927 -11.3695 -11.3695 -11.3689 -11.3689 -11.1503 -11.1503 -11.1449 -11.1449 -11.1183 -11.1183 -11.1090 -11.1090 -11.0997 -11.0997 -11.0973 -11.0973 -11.0880 -11.0880 -11.0864 -11.0864 -6.6119 -6.6119 -6.6117 -6.6117 -6.1345 -6.1345 -6.1345 -6.1345 -2.2415 -2.2415 -2.2413 -2.2413 -1.3811 -1.3811 -1.3788 -1.3788 -1.1384 -1.1384 -1.1354 -1.1354 -1.0115 -1.0115 -1.0108 -1.0108 1.3370 1.3370 1.3373 1.3373 2.0432 2.0432 2.0436 2.0436 5.4061 5.4061 5.4085 5.4085 5.6352 5.6352 5.6380 5.6380 6.6539 6.6539 6.6553 6.6553 k = 0.0500 0.3969-0.0000 ( 11552 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3934 -11.3934 -11.3928 -11.3928 -11.3691 -11.3691 -11.3686 -11.3686 -11.1497 -11.1497 -11.1456 -11.1456 -11.1167 -11.1167 -11.1092 -11.1092 -11.0996 -11.0996 -11.0972 -11.0972 -11.0884 -11.0884 -11.0873 -11.0873 -6.6150 -6.6150 -6.6149 -6.6149 -6.1335 -6.1335 -6.1335 -6.1335 -2.2411 -2.2411 -2.2410 -2.2410 -1.3736 -1.3736 -1.3718 -1.3718 -1.1405 -1.1405 -1.1382 -1.1382 -1.0053 -1.0053 -1.0049 -1.0049 1.3285 1.3285 1.3288 1.3288 2.0469 2.0469 2.0472 2.0472 5.3997 5.3997 5.4015 5.4015 5.6364 5.6364 5.6386 5.6386 6.6528 6.6528 6.6537 6.6537 k = 0.0333 0.3969-0.0000 ( 11546 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3933 -11.3933 -11.3930 -11.3930 -11.3688 -11.3688 -11.3685 -11.3685 -11.1490 -11.1490 -11.1463 -11.1463 -11.1151 -11.1151 -11.1098 -11.1098 -11.0991 -11.0991 -11.0973 -11.0973 -11.0887 -11.0887 -11.0880 -11.0880 -6.6172 -6.6172 -6.6171 -6.6171 -6.1327 -6.1327 -6.1327 -6.1327 -2.2409 -2.2409 -2.2408 -2.2408 -1.3678 -1.3678 -1.3666 -1.3666 -1.1424 -1.1424 -1.1409 -1.1409 -1.0006 -1.0006 -1.0003 -1.0003 1.3223 1.3223 1.3225 1.3225 2.0496 2.0496 2.0498 2.0498 5.3951 5.3951 5.3963 5.3963 5.6379 5.6379 5.6393 5.6393 6.6512 6.6512 6.6518 6.6518 k = 0.0167 0.3969-0.0000 ( 11522 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3932 -11.3932 -11.3931 -11.3931 -11.3686 -11.3686 -11.3684 -11.3684 -11.1483 -11.1483 -11.1469 -11.1469 -11.1135 -11.1135 -11.1108 -11.1108 -11.0986 -11.0986 -11.0975 -11.0975 -11.0888 -11.0888 -11.0885 -11.0885 -6.6185 -6.6185 -6.6185 -6.6185 -6.1323 -6.1323 -6.1323 -6.1323 -2.2407 -2.2407 -2.2406 -2.2406 -1.3641 -1.3641 -1.3635 -1.3635 -1.1435 -1.1435 -1.1428 -1.1428 -0.9975 -0.9975 -0.9974 -0.9974 1.3186 1.3186 1.3187 1.3187 2.0512 2.0512 2.0513 2.0513 5.3924 5.3924 5.3930 5.3930 5.6391 5.6391 5.6398 5.6398 6.6499 6.6499 6.6502 6.6502 k = 0.0000 0.3969-0.0000 ( 11520 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3932 -11.3932 -11.3932 -11.3932 -11.3685 -11.3685 -11.3685 -11.3685 -11.1476 -11.1476 -11.1476 -11.1476 -11.1121 -11.1121 -11.1121 -11.1121 -11.0980 -11.0980 -11.0980 -11.0980 -11.0888 -11.0888 -11.0888 -11.0888 -6.6189 -6.6189 -6.6189 -6.6189 -6.1322 -6.1322 -6.1322 -6.1322 -2.2406 -2.2406 -2.2406 -2.2406 -1.3626 -1.3626 -1.3626 -1.3626 -1.1437 -1.1437 -1.1437 -1.1437 -0.9964 -0.9964 -0.9964 -0.9964 1.3174 1.3174 1.3174 1.3174 2.0518 2.0518 2.0518 2.0518 5.3917 5.3917 5.3917 5.3917 5.6397 5.6397 5.6397 5.6397 6.6495 6.6495 6.6495 6.6495 k = 0.0000 0.3969-0.0000 ( 11520 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3932 -11.3932 -11.3932 -11.3932 -11.3685 -11.3685 -11.3685 -11.3685 -11.1476 -11.1476 -11.1476 -11.1476 -11.1121 -11.1121 -11.1121 -11.1121 -11.0980 -11.0980 -11.0980 -11.0980 -11.0888 -11.0888 -11.0888 -11.0888 -6.6189 -6.6189 -6.6189 -6.6189 -6.1322 -6.1322 -6.1322 -6.1322 -2.2406 -2.2406 -2.2406 -2.2406 -1.3626 -1.3626 -1.3626 -1.3626 -1.1437 -1.1437 -1.1437 -1.1437 -0.9964 -0.9964 -0.9964 -0.9964 1.3174 1.3174 1.3174 1.3174 2.0518 2.0518 2.0518 2.0518 5.3917 5.3917 5.3917 5.3917 5.6397 5.6397 5.6397 5.6397 6.6495 6.6495 6.6495 6.6495 k = 0.0000 0.3804-0.0000 ( 11512 PWs) bands (ev): -27.6865 -27.6865 -27.6860 -27.6860 -27.6839 -27.6839 -27.6836 -27.6836 -11.3937 -11.3937 -11.3926 -11.3926 -11.3700 -11.3700 -11.3670 -11.3670 -11.1480 -11.1480 -11.1472 -11.1472 -11.1137 -11.1137 -11.1106 -11.1106 -11.0985 -11.0985 -11.0975 -11.0975 -11.0897 -11.0897 -11.0876 -11.0876 -6.6355 -6.6355 -6.6026 -6.6026 -6.1421 -6.1421 -6.1221 -6.1221 -2.2476 -2.2476 -2.2337 -2.2337 -1.3675 -1.3675 -1.3581 -1.3581 -1.1488 -1.1488 -1.1414 -1.1414 -0.9983 -0.9983 -0.9914 -0.9914 1.2877 1.2877 1.3484 1.3484 2.0384 2.0384 2.0666 2.0666 5.3790 5.3790 5.4043 5.4043 5.5991 5.5991 5.6774 5.6774 6.6364 6.6364 6.6649 6.6649 k = 0.0000 0.3638-0.0000 ( 11524 PWs) bands (ev): -27.6867 -27.6867 -27.6858 -27.6858 -27.6840 -27.6840 -27.6835 -27.6835 -11.3942 -11.3942 -11.3921 -11.3921 -11.3714 -11.3714 -11.3654 -11.3654 -11.1483 -11.1483 -11.1468 -11.1468 -11.1154 -11.1154 -11.1092 -11.1092 -11.0991 -11.0991 -11.0972 -11.0972 -11.0904 -11.0904 -11.0863 -11.0863 -6.6524 -6.6524 -6.5866 -6.5866 -6.1518 -6.1518 -6.1120 -6.1120 -2.2547 -2.2547 -2.2268 -2.2268 -1.3728 -1.3728 -1.3540 -1.3540 -1.1562 -1.1562 -1.1422 -1.1422 -0.9967 -0.9967 -0.9837 -0.9837 1.2596 1.2596 1.3806 1.3806 2.0264 2.0264 2.0826 2.0826 5.3662 5.3662 5.4169 5.4169 5.5560 5.5560 5.7116 5.7116 6.6245 6.6245 6.6365 6.6365 k = 0.0000 0.3473-0.0000 ( 11530 PWs) bands (ev): -27.6869 -27.6869 -27.6856 -27.6856 -27.6841 -27.6841 -27.6834 -27.6834 -11.3947 -11.3947 -11.3916 -11.3916 -11.3729 -11.3729 -11.3639 -11.3639 -11.1486 -11.1486 -11.1463 -11.1463 -11.1171 -11.1171 -11.1081 -11.1081 -11.0997 -11.0997 -11.0969 -11.0969 -11.0907 -11.0907 -11.0849 -11.0849 -6.6692 -6.6692 -6.5710 -6.5710 -6.1612 -6.1612 -6.1018 -6.1018 -2.2617 -2.2617 -2.2201 -2.2201 -1.3784 -1.3784 -1.3503 -1.3503 -1.1652 -1.1652 -1.1459 -1.1459 -0.9918 -0.9918 -0.9740 -0.9740 1.2329 1.2329 1.4139 1.4139 2.0160 2.0160 2.0998 2.0998 5.3533 5.3533 5.4296 5.4296 5.5108 5.5108 5.7420 5.7420 6.5688 6.5688 6.6122 6.6122 k = 0.0000 0.3307-0.0000 ( 11520 PWs) bands (ev): -27.6871 -27.6871 -27.6854 -27.6854 -27.6843 -27.6843 -27.6832 -27.6832 -11.3952 -11.3952 -11.3911 -11.3911 -11.3743 -11.3743 -11.3624 -11.3624 -11.1489 -11.1489 -11.1459 -11.1459 -11.1187 -11.1187 -11.1075 -11.1075 -11.1004 -11.1004 -11.0966 -11.0966 -11.0905 -11.0905 -11.0835 -11.0835 -6.6861 -6.6861 -6.5561 -6.5561 -6.1703 -6.1703 -6.0917 -6.0917 -2.2687 -2.2687 -2.2136 -2.2136 -1.3843 -1.3843 -1.3470 -1.3470 -1.1753 -1.1753 -1.1518 -1.1518 -0.9843 -0.9843 -0.9628 -0.9628 1.2079 1.2079 1.4480 1.4480 2.0073 2.0073 2.1180 2.1180 5.3400 5.3400 5.4424 5.4424 5.4643 5.4643 5.7684 5.7684 6.4949 6.4949 6.5954 6.5954 k = 0.0000 0.3142-0.0000 ( 11514 PWs) bands (ev): -27.6873 -27.6873 -27.6852 -27.6852 -27.6844 -27.6844 -27.6831 -27.6831 -11.3957 -11.3957 -11.3906 -11.3906 -11.3757 -11.3757 -11.3609 -11.3609 -11.1492 -11.1492 -11.1454 -11.1454 -11.1202 -11.1202 -11.1073 -11.1073 -11.1011 -11.1011 -11.0961 -11.0961 -11.0899 -11.0899 -11.0821 -11.0821 -6.7028 -6.7028 -6.5418 -6.5418 -6.1789 -6.1789 -6.0817 -6.0817 -2.2756 -2.2756 -2.2073 -2.2073 -1.3905 -1.3905 -1.3441 -1.3441 -1.1859 -1.1859 -1.1594 -1.1594 -0.9749 -0.9749 -0.9507 -0.9507 1.1844 1.1844 1.4827 1.4827 2.0003 2.0003 2.1371 2.1371 5.3266 5.3266 5.4163 5.4163 5.4560 5.4560 5.7906 5.7906 6.4178 6.4178 6.5718 6.5718 k = 0.0000 0.2977-0.0000 ( 11532 PWs) bands (ev): -27.6875 -27.6875 -27.6850 -27.6850 -27.6845 -27.6845 -27.6830 -27.6830 -11.3961 -11.3961 -11.3901 -11.3901 -11.3771 -11.3771 -11.3595 -11.3595 -11.1494 -11.1494 -11.1449 -11.1449 -11.1217 -11.1217 -11.1077 -11.1077 -11.1020 -11.1020 -11.0953 -11.0953 -11.0891 -11.0891 -11.0807 -11.0807 -6.7194 -6.7194 -6.5282 -6.5282 -6.1871 -6.1871 -6.0719 -6.0719 -2.2824 -2.2824 -2.2012 -2.2012 -1.3970 -1.3970 -1.3416 -1.3416 -1.1970 -1.1970 -1.1680 -1.1680 -0.9641 -0.9641 -0.9380 -0.9380 1.1625 1.1625 1.5176 1.5176 1.9953 1.9953 2.1569 2.1569 5.3128 5.3128 5.3681 5.3681 5.4697 5.4697 5.8085 5.8085 6.3396 6.3396 6.5425 6.5425 k = 0.0000 0.2811-0.0000 ( 11544 PWs) bands (ev): -27.6876 -27.6876 -27.6848 -27.6848 -27.6847 -27.6847 -27.6829 -27.6829 -11.3965 -11.3965 -11.3897 -11.3897 -11.3784 -11.3784 -11.3580 -11.3580 -11.1496 -11.1496 -11.1444 -11.1444 -11.1230 -11.1230 -11.1084 -11.1084 -11.1029 -11.1029 -11.0945 -11.0945 -11.0879 -11.0879 -11.0793 -11.0793 -6.7356 -6.7356 -6.5155 -6.5155 -6.1946 -6.1946 -6.0623 -6.0623 -2.2890 -2.2890 -2.1953 -2.1953 -1.4036 -1.4036 -1.3395 -1.3395 -1.2080 -1.2080 -1.1772 -1.1772 -0.9525 -0.9525 -0.9249 -0.9249 1.1422 1.1422 1.5523 1.5523 1.9925 1.9925 2.1774 2.1774 5.2987 5.2987 5.3199 5.3199 5.4842 5.4842 5.8222 5.8222 6.2617 6.2617 6.5106 6.5106 k = 0.0000 0.2646-0.0000 ( 11530 PWs) bands (ev): -27.6878 -27.6878 -27.6848 -27.6848 -27.6846 -27.6846 -27.6828 -27.6828 -11.3969 -11.3969 -11.3893 -11.3893 -11.3797 -11.3797 -11.3566 -11.3566 -11.1497 -11.1497 -11.1440 -11.1440 -11.1242 -11.1242 -11.1093 -11.1093 -11.1038 -11.1038 -11.0936 -11.0936 -11.0865 -11.0865 -11.0779 -11.0779 -6.7515 -6.7515 -6.5037 -6.5037 -6.2015 -6.2015 -6.0530 -6.0530 -2.2954 -2.2954 -2.1897 -2.1897 -1.4104 -1.4104 -1.3376 -1.3376 -1.2189 -1.2189 -1.1866 -1.1866 -0.9404 -0.9404 -0.9116 -0.9116 1.1235 1.1235 1.5863 1.5863 1.9920 1.9920 2.1982 2.1982 5.2720 5.2720 5.2842 5.2842 5.4994 5.4994 5.8317 5.8317 6.1852 6.1852 6.4781 6.4781 k = 0.0000 0.2481-0.0000 ( 11556 PWs) bands (ev): -27.6880 -27.6880 -27.6849 -27.6849 -27.6844 -27.6844 -27.6827 -27.6827 -11.3972 -11.3972 -11.3890 -11.3890 -11.3809 -11.3809 -11.3553 -11.3553 -11.1499 -11.1499 -11.1435 -11.1435 -11.1253 -11.1253 -11.1104 -11.1104 -11.1048 -11.1048 -11.0929 -11.0929 -11.0850 -11.0850 -11.0766 -11.0766 -6.7669 -6.7669 -6.4929 -6.4929 -6.2077 -6.2077 -6.0441 -6.0441 -2.3015 -2.3015 -2.1844 -2.1844 -1.4172 -1.4172 -1.3361 -1.3361 -1.2296 -1.2296 -1.1960 -1.1960 -0.9281 -0.9281 -0.8984 -0.8984 1.1063 1.1063 1.6190 1.6190 1.9942 1.9942 2.2192 2.2192 5.2250 5.2250 5.2692 5.2692 5.5157 5.5157 5.8375 5.8375 6.1109 6.1109 6.4465 6.4465 k = 0.0000 0.2315-0.0000 ( 11562 PWs) bands (ev): -27.6882 -27.6882 -27.6850 -27.6850 -27.6842 -27.6842 -27.6826 -27.6826 -11.3974 -11.3974 -11.3888 -11.3888 -11.3819 -11.3819 -11.3540 -11.3540 -11.1500 -11.1500 -11.1431 -11.1431 -11.1263 -11.1263 -11.1116 -11.1116 -11.1056 -11.1056 -11.0921 -11.0921 -11.0834 -11.0834 -11.0754 -11.0754 -6.7817 -6.7817 -6.4832 -6.4832 -6.2131 -6.2131 -6.0355 -6.0355 -2.3074 -2.3074 -2.1793 -2.1793 -1.4241 -1.4241 -1.3349 -1.3349 -1.2399 -1.2399 -1.2053 -1.2053 -0.9159 -0.9159 -0.8854 -0.8854 1.0906 1.0906 1.6497 1.6497 1.9993 1.9993 2.2403 2.2403 5.1791 5.1791 5.2537 5.2537 5.5331 5.5331 5.8398 5.8398 6.0396 6.0396 6.4165 6.4165 k = 0.0000 0.2150-0.0000 ( 11558 PWs) bands (ev): -27.6883 -27.6883 -27.6851 -27.6851 -27.6841 -27.6841 -27.6825 -27.6825 -11.3976 -11.3976 -11.3886 -11.3886 -11.3829 -11.3829 -11.3528 -11.3528 -11.1502 -11.1502 -11.1427 -11.1427 -11.1270 -11.1270 -11.1128 -11.1128 -11.1065 -11.1065 -11.0915 -11.0915 -11.0817 -11.0817 -11.0742 -11.0742 -6.7959 -6.7959 -6.4745 -6.4745 -6.2177 -6.2177 -6.0273 -6.0273 -2.3129 -2.3129 -2.1746 -2.1746 -1.4309 -1.4309 -1.3340 -1.3340 -1.2498 -1.2498 -1.2143 -1.2143 -0.9038 -0.9038 -0.8728 -0.8728 1.0763 1.0763 1.6778 1.6778 2.0078 2.0078 2.2611 2.2611 5.1349 5.1349 5.2376 5.2376 5.5518 5.5518 5.8390 5.8390 5.9720 5.9720 6.3887 6.3887 k = 0.0000 0.1984-0.0000 ( 11550 PWs) bands (ev): -27.6885 -27.6885 -27.6852 -27.6852 -27.6839 -27.6839 -27.6824 -27.6824 -11.3978 -11.3978 -11.3886 -11.3886 -11.3837 -11.3837 -11.3516 -11.3516 -11.1503 -11.1503 -11.1423 -11.1423 -11.1276 -11.1276 -11.1140 -11.1140 -11.1074 -11.1074 -11.0909 -11.0909 -11.0800 -11.0800 -11.0730 -11.0730 -6.8094 -6.8094 -6.4670 -6.4670 -6.2215 -6.2215 -6.0196 -6.0196 -2.3181 -2.3181 -2.1701 -2.1701 -1.4375 -1.4375 -1.3333 -1.3333 -1.2591 -1.2591 -1.2228 -1.2228 -0.8922 -0.8922 -0.8605 -0.8605 1.0634 1.0634 1.7027 1.7027 2.0197 2.0197 2.2815 2.2815 5.0927 5.0927 5.2207 5.2207 5.5720 5.5720 5.8357 5.8357 5.9086 5.9086 6.3632 6.3632 k = 0.0000 0.1819-0.0000 ( 11552 PWs) bands (ev): -27.6886 -27.6886 -27.6853 -27.6853 -27.6837 -27.6837 -27.6824 -27.6824 -11.3979 -11.3979 -11.3888 -11.3888 -11.3844 -11.3844 -11.3505 -11.3505 -11.1504 -11.1504 -11.1420 -11.1420 -11.1281 -11.1281 -11.1152 -11.1152 -11.1082 -11.1082 -11.0903 -11.0903 -11.0783 -11.0783 -11.0719 -11.0719 -6.8220 -6.8220 -6.4605 -6.4605 -6.2246 -6.2246 -6.0124 -6.0124 -2.3230 -2.3230 -2.1660 -2.1660 -1.4440 -1.4440 -1.3328 -1.3328 -1.2678 -1.2678 -1.2309 -1.2309 -0.8810 -0.8810 -0.8488 -0.8488 1.0519 1.0519 1.7241 1.7241 2.0349 2.0349 2.3013 2.3013 5.0527 5.0527 5.2031 5.2031 5.5938 5.5938 5.8303 5.8303 5.8503 5.8503 6.3401 6.3401 k = 0.0000 0.1654-0.0000 ( 11528 PWs) bands (ev): -27.6887 -27.6887 -27.6854 -27.6854 -27.6836 -27.6836 -27.6823 -27.6823 -11.3980 -11.3980 -11.3891 -11.3891 -11.3848 -11.3848 -11.3495 -11.3495 -11.1505 -11.1505 -11.1417 -11.1417 -11.1284 -11.1284 -11.1164 -11.1164 -11.1090 -11.1090 -11.0898 -11.0898 -11.0767 -11.0767 -11.0709 -11.0709 -6.8338 -6.8338 -6.4551 -6.4551 -6.2269 -6.2269 -6.0056 -6.0056 -2.3274 -2.3274 -2.1622 -2.1622 -1.4503 -1.4503 -1.3325 -1.3325 -1.2759 -1.2759 -1.2384 -1.2384 -0.8704 -0.8704 -0.8378 -0.8378 1.0416 1.0416 1.7419 1.7419 2.0531 2.0531 2.3202 2.3202 5.0152 5.0152 5.1846 5.1846 5.6173 5.6173 5.7968 5.7968 5.8238 5.8238 6.3193 6.3193 k = 0.0000 0.1488-0.0000 ( 11536 PWs) bands (ev): -27.6888 -27.6888 -27.6855 -27.6855 -27.6835 -27.6835 -27.6822 -27.6822 -11.3980 -11.3980 -11.3896 -11.3896 -11.3850 -11.3850 -11.3485 -11.3485 -11.1506 -11.1506 -11.1415 -11.1415 -11.1286 -11.1286 -11.1175 -11.1175 -11.1098 -11.1098 -11.0894 -11.0894 -11.0751 -11.0751 -11.0700 -11.0700 -6.8448 -6.8448 -6.4507 -6.4507 -6.2285 -6.2285 -5.9995 -5.9995 -2.3315 -2.3315 -2.1587 -2.1587 -1.4562 -1.4562 -1.3323 -1.3323 -1.2834 -1.2834 -1.2453 -1.2453 -0.8606 -0.8606 -0.8275 -0.8275 1.0325 1.0325 1.7562 1.7562 2.0735 2.0735 2.3380 2.3380 4.9805 4.9805 5.1655 5.1655 5.6427 5.6427 5.7493 5.7493 5.8159 5.8159 6.3004 6.3004 k = 0.0000 0.1323-0.0000 ( 11532 PWs) bands (ev): -27.6889 -27.6889 -27.6856 -27.6856 -27.6833 -27.6833 -27.6822 -27.6822 -11.3979 -11.3979 -11.3902 -11.3902 -11.3852 -11.3852 -11.3477 -11.3477 -11.1508 -11.1508 -11.1412 -11.1412 -11.1287 -11.1287 -11.1185 -11.1185 -11.1106 -11.1106 -11.0890 -11.0890 -11.0737 -11.0737 -11.0692 -11.0692 -6.8547 -6.8547 -6.4472 -6.4472 -6.2295 -6.2295 -5.9939 -5.9939 -2.3351 -2.3351 -2.1556 -2.1556 -1.4617 -1.4617 -1.3322 -1.3322 -1.2901 -1.2901 -1.2516 -1.2516 -0.8515 -0.8515 -0.8181 -0.8181 1.0245 1.0245 1.7674 1.7674 2.0953 2.0953 2.3545 2.3545 4.9488 4.9488 5.1459 5.1459 5.6699 5.6699 5.7078 5.7078 5.8075 5.8075 6.2831 6.2831 k = 0.0000 0.1158-0.0000 ( 11536 PWs) bands (ev): -27.6890 -27.6890 -27.6856 -27.6856 -27.6832 -27.6832 -27.6821 -27.6821 -11.3978 -11.3978 -11.3908 -11.3908 -11.3852 -11.3852 -11.3469 -11.3469 -11.1509 -11.1509 -11.1410 -11.1410 -11.1288 -11.1288 -11.1194 -11.1194 -11.1113 -11.1113 -11.0886 -11.0886 -11.0724 -11.0724 -11.0685 -11.0685 -6.8635 -6.8635 -6.4444 -6.4444 -6.2300 -6.2300 -5.9889 -5.9889 -2.3384 -2.3384 -2.1529 -2.1529 -1.4667 -1.4667 -1.3322 -1.3322 -1.2961 -1.2961 -1.2572 -1.2572 -0.8434 -0.8434 -0.8095 -0.8095 1.0177 1.0177 1.7762 1.7762 2.1174 2.1174 2.3695 2.3695 4.9204 4.9204 5.1263 5.1263 5.6719 5.6719 5.6992 5.6992 5.7990 5.7990 6.2663 6.2663 k = 0.0000 0.0992-0.0000 ( 11526 PWs) bands (ev): -27.6891 -27.6891 -27.6857 -27.6857 -27.6831 -27.6831 -27.6821 -27.6821 -11.3977 -11.3977 -11.3915 -11.3915 -11.3852 -11.3852 -11.3463 -11.3463 -11.1510 -11.1510 -11.1407 -11.1407 -11.1288 -11.1288 -11.1201 -11.1201 -11.1120 -11.1120 -11.0883 -11.0883 -11.0712 -11.0712 -11.0679 -11.0679 -6.8713 -6.8713 -6.4424 -6.4424 -6.2302 -6.2302 -5.9846 -5.9846 -2.3412 -2.3412 -2.1504 -2.1504 -1.4712 -1.4712 -1.3322 -1.3322 -1.3014 -1.3014 -1.2620 -1.2620 -0.8362 -0.8362 -0.8020 -0.8020 1.0119 1.0119 1.7829 1.7829 2.1388 2.1388 2.3829 2.3829 4.8954 4.8954 5.1072 5.1072 5.6421 5.6421 5.7298 5.7298 5.7909 5.7909 6.2493 6.2493 k = 0.0000 0.0827-0.0000 ( 11532 PWs) bands (ev): -27.6892 -27.6892 -27.6857 -27.6857 -27.6830 -27.6830 -27.6821 -27.6821 -11.3975 -11.3975 -11.3921 -11.3921 -11.3852 -11.3852 -11.3457 -11.3457 -11.1511 -11.1511 -11.1405 -11.1405 -11.1288 -11.1288 -11.1207 -11.1207 -11.1126 -11.1126 -11.0881 -11.0881 -11.0701 -11.0701 -11.0675 -11.0675 -6.8780 -6.8780 -6.4408 -6.4408 -6.2301 -6.2301 -5.9809 -5.9809 -2.3435 -2.3435 -2.1484 -2.1484 -1.4751 -1.4751 -1.3323 -1.3323 -1.3058 -1.3058 -1.2662 -1.2662 -0.8299 -0.8299 -0.7955 -0.7955 1.0070 1.0070 1.7880 1.7880 2.1586 2.1586 2.3945 2.3945 4.8740 4.8740 5.0893 5.0893 5.6177 5.6177 5.7616 5.7616 5.7835 5.7835 6.2307 6.2307 k = 0.0000 0.0661-0.0000 ( 11524 PWs) bands (ev): -27.6893 -27.6893 -27.6858 -27.6858 -27.6829 -27.6829 -27.6820 -27.6820 -11.3973 -11.3973 -11.3927 -11.3927 -11.3852 -11.3852 -11.3452 -11.3452 -11.1512 -11.1512 -11.1404 -11.1404 -11.1288 -11.1288 -11.1212 -11.1212 -11.1132 -11.1132 -11.0879 -11.0879 -11.0691 -11.0691 -11.0671 -11.0671 -6.8835 -6.8835 -6.4398 -6.4398 -6.2299 -6.2299 -5.9778 -5.9778 -2.3455 -2.3455 -2.1467 -2.1467 -1.4784 -1.4784 -1.3324 -1.3324 -1.3095 -1.3095 -1.2697 -1.2697 -0.8248 -0.8248 -0.7901 -0.7901 1.0031 1.0031 1.7917 1.7917 2.1759 2.1759 2.4042 2.4042 4.8563 4.8563 5.0733 5.0733 5.5985 5.5985 5.7764 5.7764 5.7946 5.7946 6.2095 6.2095 k = 0.0000 0.0496-0.0000 ( 11513 PWs) bands (ev): -27.6893 -27.6893 -27.6858 -27.6858 -27.6829 -27.6829 -27.6820 -27.6820 -11.3971 -11.3971 -11.3932 -11.3932 -11.3851 -11.3851 -11.3448 -11.3448 -11.1513 -11.1513 -11.1402 -11.1402 -11.1288 -11.1288 -11.1215 -11.1215 -11.1136 -11.1136 -11.0877 -11.0877 -11.0684 -11.0684 -11.0668 -11.0668 -6.8878 -6.8878 -6.4390 -6.4390 -6.2296 -6.2296 -5.9754 -5.9754 -2.3470 -2.3470 -2.1454 -2.1454 -1.4809 -1.4809 -1.3326 -1.3326 -1.3124 -1.3124 -1.2724 -1.2724 -0.8207 -0.8207 -0.7858 -0.7858 1.0002 1.0002 1.7945 1.7945 2.1901 2.1901 2.4118 2.4118 4.8424 4.8424 5.0600 5.0600 5.5840 5.5840 5.7712 5.7712 5.8260 5.8260 6.1860 6.1860 k = 0.0000 0.0331-0.0000 ( 11527 PWs) bands (ev): -27.6893 -27.6893 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3968 -11.3968 -11.3937 -11.3937 -11.3851 -11.3851 -11.3446 -11.3446 -11.1514 -11.1514 -11.1401 -11.1401 -11.1288 -11.1288 -11.1217 -11.1217 -11.1140 -11.1140 -11.0876 -11.0876 -11.0677 -11.0677 -11.0667 -11.0667 -6.8909 -6.8909 -6.4386 -6.4386 -6.2294 -6.2294 -5.9737 -5.9737 -2.3480 -2.3480 -2.1445 -2.1445 -1.4828 -1.4828 -1.3326 -1.3326 -1.3145 -1.3145 -1.2743 -1.2743 -0.8178 -0.8178 -0.7828 -0.7828 0.9980 0.9980 1.7963 1.7963 2.2006 2.2006 2.4173 2.4173 4.8324 4.8324 5.0500 5.0500 5.5740 5.5740 5.7673 5.7673 5.8541 5.8541 6.1624 6.1624 k = 0.0000 0.0165-0.0000 ( 11545 PWs) bands (ev): -27.6894 -27.6894 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3967 -11.3967 -11.3940 -11.3940 -11.3851 -11.3851 -11.3444 -11.3444 -11.1514 -11.1514 -11.1400 -11.1400 -11.1289 -11.1289 -11.1218 -11.1218 -11.1142 -11.1142 -11.0876 -11.0876 -11.0673 -11.0673 -11.0668 -11.0668 -6.8928 -6.8928 -6.4383 -6.4383 -6.2292 -6.2292 -5.9727 -5.9727 -2.3487 -2.3487 -2.1439 -2.1439 -1.4840 -1.4840 -1.3327 -1.3327 -1.3157 -1.3157 -1.2755 -1.2755 -0.8160 -0.8160 -0.7810 -0.7810 0.9968 0.9968 1.7973 1.7973 2.2071 2.2071 2.4207 2.4207 4.8264 4.8264 5.0438 5.0438 5.5681 5.5681 5.7649 5.7649 5.8747 5.8747 6.1439 6.1439 k = 0.0000 0.0000 0.0000 ( 11551 PWs) bands (ev): -27.6894 -27.6894 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3966 -11.3966 -11.3941 -11.3941 -11.3851 -11.3851 -11.3444 -11.3444 -11.1515 -11.1515 -11.1400 -11.1400 -11.1289 -11.1289 -11.1219 -11.1219 -11.1143 -11.1143 -11.0875 -11.0875 -11.0670 -11.0670 -11.0669 -11.0669 -6.8934 -6.8934 -6.4382 -6.4382 -6.2292 -6.2292 -5.9723 -5.9723 -2.3489 -2.3489 -2.1437 -2.1437 -1.4844 -1.4844 -1.3327 -1.3327 -1.3162 -1.3162 -1.2758 -1.2758 -0.8154 -0.8154 -0.7803 -0.7803 0.9964 0.9964 1.7977 1.7977 2.2093 2.2093 2.4218 2.4218 4.8244 4.8244 5.0417 5.0417 5.5661 5.5661 5.7641 5.7641 5.8825 5.8825 6.1367 6.1367 k = 0.0000 0.0000 0.0000 ( 11551 PWs) bands (ev): -27.6894 -27.6894 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3966 -11.3966 -11.3941 -11.3941 -11.3851 -11.3851 -11.3444 -11.3444 -11.1515 -11.1515 -11.1400 -11.1400 -11.1289 -11.1289 -11.1219 -11.1219 -11.1143 -11.1143 -11.0875 -11.0875 -11.0670 -11.0670 -11.0669 -11.0669 -6.8934 -6.8934 -6.4382 -6.4382 -6.2292 -6.2292 -5.9723 -5.9723 -2.3489 -2.3489 -2.1437 -2.1437 -1.4844 -1.4844 -1.3327 -1.3327 -1.3162 -1.3162 -1.2758 -1.2758 -0.8154 -0.8154 -0.7803 -0.7803 0.9964 0.9964 1.7977 1.7977 2.2093 2.2093 2.4218 2.4218 4.8244 4.8244 5.0417 5.0417 5.5661 5.5661 5.7641 5.7641 5.8825 5.8825 6.1367 6.1367 k = 0.0000 0.0000 0.0171 ( 11539 PWs) bands (ev): -27.6894 -27.6894 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3966 -11.3966 -11.3940 -11.3940 -11.3851 -11.3851 -11.3445 -11.3445 -11.1515 -11.1515 -11.1399 -11.1399 -11.1288 -11.1288 -11.1220 -11.1220 -11.1142 -11.1142 -11.0876 -11.0876 -11.0671 -11.0671 -11.0669 -11.0669 -6.8926 -6.8926 -6.4392 -6.4392 -6.2287 -6.2287 -5.9729 -5.9729 -2.3471 -2.3471 -2.1423 -2.1423 -1.4859 -1.4859 -1.3344 -1.3344 -1.3161 -1.3161 -1.2759 -1.2759 -0.8154 -0.8154 -0.7804 -0.7804 0.9975 0.9975 1.7955 1.7955 2.2095 2.2095 2.4212 2.4212 4.8257 4.8257 5.0448 5.0448 5.5621 5.5621 5.7613 5.7613 5.8801 5.8801 6.1384 6.1384 k = 0.0000 0.0000 0.0342 ( 11540 PWs) bands (ev): -27.6894 -27.6894 -27.6859 -27.6859 -27.6828 -27.6828 -27.6820 -27.6820 -11.3967 -11.3967 -11.3939 -11.3939 -11.3849 -11.3849 -11.3447 -11.3447 -11.1515 -11.1515 -11.1396 -11.1396 -11.1286 -11.1286 -11.1223 -11.1223 -11.1139 -11.1139 -11.0879 -11.0879 -11.0671 -11.0671 -11.0670 -11.0670 -6.8904 -6.8904 -6.4423 -6.4423 -6.2274 -6.2274 -5.9744 -5.9744 -2.3417 -2.3417 -2.1380 -2.1380 -1.4904 -1.4904 -1.3395 -1.3395 -1.3158 -1.3158 -1.2761 -1.2761 -0.8152 -0.8152 -0.7806 -0.7806 1.0010 1.0010 1.7891 1.7891 2.2104 2.2104 2.4196 2.4196 4.8297 4.8297 5.0542 5.0542 5.5507 5.5507 5.7532 5.7532 5.8729 5.8729 6.1436 6.1436 k = 0.0000 0.0000 0.0513 ( 11530 PWs) bands (ev): -27.6893 -27.6893 -27.6859 -27.6859 -27.6827 -27.6827 -27.6820 -27.6820 -11.3968 -11.3968 -11.3936 -11.3936 -11.3846 -11.3846 -11.3450 -11.3450 -11.1515 -11.1515 -11.1393 -11.1393 -11.1284 -11.1284 -11.1229 -11.1229 -11.1136 -11.1136 -11.0883 -11.0883 -11.0672 -11.0672 -11.0670 -11.0670 -6.8866 -6.8866 -6.4473 -6.4473 -6.2252 -6.2252 -5.9771 -5.9771 -2.3328 -2.3328 -2.1310 -2.1310 -1.4979 -1.4979 -1.3479 -1.3479 -1.3154 -1.3154 -1.2765 -1.2765 -0.8149 -0.8149 -0.7810 -0.7810 1.0068 1.0068 1.7786 1.7786 2.2118 2.2118 2.4170 2.4170 4.8363 4.8363 5.0697 5.0697 5.5337 5.5337 5.7400 5.7400 5.8611 5.8611 6.1519 6.1519 k = 0.0000 0.0000 0.0684 ( 11514 PWs) bands (ev): -27.6893 -27.6893 -27.6860 -27.6860 -27.6827 -27.6827 -27.6820 -27.6820 -11.3969 -11.3969 -11.3933 -11.3933 -11.3841 -11.3841 -11.3454 -11.3454 -11.1516 -11.1516 -11.1388 -11.1388 -11.1280 -11.1280 -11.1234 -11.1234 -11.1131 -11.1131 -11.0890 -11.0890 -11.0673 -11.0673 -11.0671 -11.0671 -6.8813 -6.8813 -6.4542 -6.4542 -6.2221 -6.2221 -5.9807 -5.9807 -2.3204 -2.3204 -2.1211 -2.1211 -1.5083 -1.5083 -1.3595 -1.3595 -1.3149 -1.3149 -1.2770 -1.2770 -0.8145 -0.8145 -0.7815 -0.7815 1.0148 1.0148 1.7642 1.7642 2.2138 2.2138 2.4133 2.4133 4.8454 4.8454 5.0912 5.0912 5.5135 5.5135 5.7218 5.7218 5.8450 5.8450 6.1631 6.1631 k = 0.0000 0.0000 0.0855 ( 11526 PWs) bands (ev): -27.6892 -27.6892 -27.6861 -27.6861 -27.6827 -27.6827 -27.6820 -27.6820 -11.3970 -11.3970 -11.3931 -11.3931 -11.3834 -11.3834 -11.3460 -11.3460 -11.1516 -11.1516 -11.1384 -11.1384 -11.1275 -11.1275 -11.1240 -11.1240 -11.1127 -11.1127 -11.0898 -11.0898 -11.0675 -11.0675 -11.0672 -11.0672 -6.8746 -6.8746 -6.4630 -6.4630 -6.2181 -6.2181 -5.9853 -5.9853 -2.3046 -2.3046 -2.1086 -2.1086 -1.5216 -1.5216 -1.3743 -1.3743 -1.3142 -1.3142 -1.2777 -1.2777 -0.8139 -0.8139 -0.7821 -0.7821 1.0251 1.0251 1.7461 1.7461 2.2164 2.2164 2.4086 2.4086 4.8572 4.8572 5.1183 5.1183 5.4922 5.4922 5.6992 5.6992 5.8249 5.8249 6.1768 6.1768 k = 0.0000 0.0000 0.1026 ( 11534 PWs) bands (ev): -27.6892 -27.6892 -27.6861 -27.6861 -27.6827 -27.6827 -27.6820 -27.6820 -11.3970 -11.3970 -11.3929 -11.3929 -11.3826 -11.3826 -11.3467 -11.3467 -11.1516 -11.1516 -11.1379 -11.1379 -11.1270 -11.1270 -11.1244 -11.1244 -11.1124 -11.1124 -11.0908 -11.0908 -11.0677 -11.0677 -11.0674 -11.0674 -6.8665 -6.8665 -6.4735 -6.4735 -6.2134 -6.2134 -5.9909 -5.9909 -2.2857 -2.2857 -2.0935 -2.0935 -1.5376 -1.5376 -1.3921 -1.3921 -1.3134 -1.3134 -1.2785 -1.2785 -0.8133 -0.8133 -0.7829 -0.7829 1.0377 1.0377 1.7246 1.7246 2.2195 2.2195 2.4031 2.4031 4.8715 4.8715 5.1508 5.1508 5.4719 5.4719 5.6726 5.6726 5.8015 5.8015 6.1926 6.1926 k = 0.0000 0.0000 0.1197 ( 11520 PWs) bands (ev): -27.6891 -27.6891 -27.6862 -27.6862 -27.6827 -27.6827 -27.6820 -27.6820 -11.3970 -11.3970 -11.3927 -11.3927 -11.3816 -11.3816 -11.3476 -11.3476 -11.1515 -11.1515 -11.1376 -11.1376 -11.1265 -11.1265 -11.1245 -11.1245 -11.1120 -11.1120 -11.0919 -11.0919 -11.0679 -11.0679 -11.0675 -11.0675 -6.8570 -6.8570 -6.4856 -6.4856 -6.2078 -6.2078 -5.9974 -5.9974 -2.2637 -2.2637 -2.0759 -2.0759 -1.5563 -1.5563 -1.4127 -1.4127 -1.3124 -1.3124 -1.2794 -1.2794 -0.8125 -0.8125 -0.7837 -0.7837 1.0524 1.0524 1.7002 1.7002 2.2232 2.2232 2.3966 2.3966 4.8883 4.8883 5.1881 5.1881 5.4541 5.4541 5.6425 5.6425 5.7752 5.7752 6.2104 6.2104 k = 0.0000 0.0000 0.1368 ( 11522 PWs) bands (ev): -27.6890 -27.6890 -27.6863 -27.6863 -27.6826 -27.6826 -27.6820 -27.6820 -11.3970 -11.3970 -11.3927 -11.3927 -11.3805 -11.3805 -11.3485 -11.3485 -11.1513 -11.1513 -11.1375 -11.1375 -11.1261 -11.1261 -11.1243 -11.1243 -11.1118 -11.1118 -11.0933 -11.0933 -11.0680 -11.0680 -11.0677 -11.0677 -6.8462 -6.8462 -6.4992 -6.4992 -6.2015 -6.2015 -6.0047 -6.0047 -2.2389 -2.2389 -2.0560 -2.0560 -1.5775 -1.5775 -1.4361 -1.4361 -1.3113 -1.3113 -1.2804 -1.2804 -0.8116 -0.8116 -0.7847 -0.7847 1.0693 1.0693 1.6731 1.6731 2.2274 2.2274 2.3894 2.3894 4.9075 4.9075 5.2291 5.2291 5.4406 5.4406 5.6094 5.6094 5.7465 5.7465 6.2299 6.2299 k = 0.0000 0.0000 0.1539 ( 11518 PWs) bands (ev): -27.6889 -27.6889 -27.6864 -27.6864 -27.6826 -27.6826 -27.6820 -27.6820 -11.3969 -11.3969 -11.3927 -11.3927 -11.3792 -11.3792 -11.3496 -11.3496 -11.1511 -11.1511 -11.1376 -11.1376 -11.1255 -11.1255 -11.1237 -11.1237 -11.1117 -11.1117 -11.0947 -11.0947 -11.0682 -11.0682 -11.0679 -11.0679 -6.8341 -6.8341 -6.5141 -6.5141 -6.1944 -6.1944 -6.0128 -6.0128 -2.2115 -2.2115 -2.0337 -2.0337 -1.6011 -1.6011 -1.4618 -1.4618 -1.3101 -1.3101 -1.2816 -1.2816 -0.8106 -0.8106 -0.7858 -0.7858 1.0883 1.0883 1.6438 1.6438 2.2322 2.2322 2.3815 2.3815 4.9291 4.9291 5.2720 5.2720 5.4337 5.4337 5.5739 5.5739 5.7160 5.7160 6.2511 6.2511 k = 0.0000 0.0000 0.1710 ( 11518 PWs) bands (ev): -27.6888 -27.6888 -27.6866 -27.6866 -27.6826 -27.6826 -27.6821 -27.6821 -11.3968 -11.3968 -11.3928 -11.3928 -11.3777 -11.3777 -11.3508 -11.3508 -11.1508 -11.1508 -11.1381 -11.1381 -11.1248 -11.1248 -11.1229 -11.1229 -11.1116 -11.1116 -11.0963 -11.0963 -11.0684 -11.0684 -11.0681 -11.0681 -6.8208 -6.8208 -6.5302 -6.5302 -6.1867 -6.1867 -6.0216 -6.0216 -2.1818 -2.1818 -2.0094 -2.0094 -1.6270 -1.6270 -1.4898 -1.4898 -1.3088 -1.3088 -1.2829 -1.2829 -0.8096 -0.8096 -0.7870 -0.7870 1.1092 1.1092 1.6127 1.6127 2.2375 2.2375 2.3730 2.3730 4.9530 4.9530 5.3122 5.3122 5.4380 5.4380 5.5364 5.5364 5.6844 5.6844 6.2741 6.2741 k = 0.0000 0.0000 0.1881 ( 11498 PWs) bands (ev): -27.6887 -27.6887 -27.6867 -27.6867 -27.6825 -27.6825 -27.6821 -27.6821 -11.3966 -11.3966 -11.3929 -11.3929 -11.3761 -11.3761 -11.3521 -11.3521 -11.1504 -11.1504 -11.1387 -11.1387 -11.1238 -11.1238 -11.1220 -11.1220 -11.1117 -11.1117 -11.0980 -11.0980 -11.0685 -11.0685 -11.0682 -11.0682 -6.8064 -6.8064 -6.5473 -6.5473 -6.1783 -6.1783 -6.0309 -6.0309 -2.1499 -2.1499 -1.9831 -1.9831 -1.6549 -1.6549 -1.5198 -1.5198 -1.3073 -1.3073 -1.2842 -1.2842 -0.8084 -0.8084 -0.7883 -0.7883 1.1321 1.1321 1.5800 1.5800 2.2434 2.2434 2.3641 2.3641 4.9791 4.9791 5.3421 5.3421 5.4609 5.4609 5.4974 5.4974 5.6521 5.6521 6.2990 6.2990 k = 0.0000 0.0000 0.2052 ( 11508 PWs) bands (ev): -27.6886 -27.6886 -27.6868 -27.6868 -27.6825 -27.6825 -27.6821 -27.6821 -11.3964 -11.3964 -11.3931 -11.3931 -11.3744 -11.3744 -11.3535 -11.3535 -11.1500 -11.1500 -11.1395 -11.1395 -11.1226 -11.1226 -11.1210 -11.1210 -11.1119 -11.1119 -11.0998 -11.0998 -11.0687 -11.0687 -11.0684 -11.0684 -6.7909 -6.7909 -6.5653 -6.5653 -6.1693 -6.1693 -6.0409 -6.0409 -2.1163 -2.1163 -1.9551 -1.9551 -1.6849 -1.6849 -1.5514 -1.5514 -1.3058 -1.3058 -1.2857 -1.2857 -0.8071 -0.8071 -0.7896 -0.7896 1.1569 1.1569 1.5463 1.5463 2.2497 2.2497 2.3548 2.3548 5.0073 5.0073 5.3594 5.3594 5.4573 5.4573 5.5046 5.5046 5.6197 5.6197 6.3262 6.3262 k = 0.0000 0.0000 0.2222 ( 11522 PWs) bands (ev): -27.6884 -27.6884 -27.6870 -27.6870 -27.6825 -27.6825 -27.6821 -27.6821 -11.3962 -11.3962 -11.3933 -11.3933 -11.3727 -11.3727 -11.3550 -11.3550 -11.1494 -11.1494 -11.1404 -11.1404 -11.1213 -11.1213 -11.1199 -11.1199 -11.1121 -11.1121 -11.1016 -11.1016 -11.0688 -11.0688 -11.0686 -11.0686 -6.7745 -6.7745 -6.5840 -6.5840 -6.1598 -6.1598 -6.0512 -6.0512 -2.0812 -2.0812 -1.9254 -1.9254 -1.7165 -1.7165 -1.5844 -1.5844 -1.3042 -1.3042 -1.2872 -1.2872 -0.8058 -0.8058 -0.7910 -0.7910 1.1834 1.1834 1.5117 1.5117 2.2566 2.2566 2.3452 2.3452 5.0375 5.0375 5.3707 5.3707 5.4165 5.4165 5.5621 5.5621 5.5877 5.5877 6.3178 6.3178 k = 0.0000 0.0000 0.2393 ( 11530 PWs) bands (ev): -27.6883 -27.6883 -27.6871 -27.6871 -27.6824 -27.6824 -27.6822 -27.6822 -11.3959 -11.3959 -11.3936 -11.3936 -11.3709 -11.3709 -11.3565 -11.3565 -11.1488 -11.1488 -11.1414 -11.1414 -11.1200 -11.1200 -11.1188 -11.1188 -11.1125 -11.1125 -11.1036 -11.1036 -11.0689 -11.0689 -11.0687 -11.0687 -6.7573 -6.7573 -6.6032 -6.6032 -6.1498 -6.1498 -6.0619 -6.0619 -2.0449 -2.0449 -1.8943 -1.8943 -1.7498 -1.7498 -1.6184 -1.6184 -1.3026 -1.3026 -1.2888 -1.2888 -0.8045 -0.8045 -0.7925 -0.7925 1.2116 1.2116 1.4767 1.4767 2.2640 2.2640 2.3356 2.3356 5.0696 5.0696 5.3751 5.3751 5.3819 5.3819 5.5564 5.5564 5.6275 5.6275 6.2403 6.2403 k = 0.0000 0.0000 0.2564 ( 11534 PWs) bands (ev): -27.6882 -27.6882 -27.6873 -27.6873 -27.6824 -27.6824 -27.6822 -27.6822 -11.3956 -11.3956 -11.3939 -11.3939 -11.3691 -11.3691 -11.3582 -11.3582 -11.1480 -11.1480 -11.1424 -11.1424 -11.1187 -11.1187 -11.1175 -11.1175 -11.1129 -11.1129 -11.1055 -11.1055 -11.0689 -11.0689 -11.0688 -11.0688 -6.7393 -6.7393 -6.6228 -6.6228 -6.1394 -6.1394 -6.0729 -6.0729 -2.0078 -2.0078 -1.8619 -1.8619 -1.7844 -1.7844 -1.6533 -1.6533 -1.3009 -1.3009 -1.2905 -1.2905 -0.8031 -0.8031 -0.7940 -0.7940 1.2412 1.2412 1.4415 1.4415 2.2718 2.2718 2.3259 2.3259 5.1035 5.1035 5.3343 5.3343 5.3943 5.3943 5.5266 5.5266 5.6976 5.6976 6.1618 6.1618 k = 0.0000 0.0000 0.2735 ( 11534 PWs) bands (ev): -27.6880 -27.6880 -27.6874 -27.6874 -27.6824 -27.6824 -27.6822 -27.6822 -11.3954 -11.3954 -11.3941 -11.3941 -11.3672 -11.3672 -11.3599 -11.3599 -11.1472 -11.1472 -11.1435 -11.1435 -11.1177 -11.1177 -11.1162 -11.1162 -11.1131 -11.1131 -11.1075 -11.1075 -11.0690 -11.0690 -11.0689 -11.0689 -6.7207 -6.7207 -6.6425 -6.6425 -6.1287 -6.1287 -6.0841 -6.0841 -1.9701 -1.9701 -1.8285 -1.8285 -1.8202 -1.8202 -1.6885 -1.6885 -1.2992 -1.2992 -1.2922 -1.2922 -0.8016 -0.8016 -0.7955 -0.7955 1.2722 1.2722 1.4065 1.4065 2.2800 2.2800 2.3163 2.3163 5.1390 5.1390 5.2936 5.2936 5.4096 5.4096 5.4985 5.4985 5.7712 5.7712 6.0828 6.0828 k = 0.0000 0.0000 0.2906 ( 11536 PWs) bands (ev): -27.6879 -27.6879 -27.6876 -27.6876 -27.6823 -27.6823 -27.6823 -27.6823 -11.3950 -11.3950 -11.3944 -11.3944 -11.3654 -11.3654 -11.3617 -11.3617 -11.1464 -11.1464 -11.1445 -11.1445 -11.1167 -11.1167 -11.1156 -11.1156 -11.1126 -11.1126 -11.1094 -11.1094 -11.0690 -11.0690 -11.0690 -11.0690 -6.7016 -6.7016 -6.6624 -6.6624 -6.1177 -6.1177 -6.0953 -6.0953 -1.9322 -1.9322 -1.8570 -1.8570 -1.7941 -1.7941 -1.7239 -1.7239 -1.2975 -1.2975 -1.2939 -1.2939 -0.8001 -0.8001 -0.7970 -0.7970 1.3045 1.3045 1.3718 1.3718 2.2886 2.2886 2.3068 2.3068 5.1760 5.1760 5.2535 5.2535 5.4277 5.4277 5.4724 5.4724 5.8472 5.8472 6.0037 6.0037 k = 0.0000 0.0000 0.3077 ( 11532 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3947 -11.3947 -11.3947 -11.3947 -11.3635 -11.3635 -11.3635 -11.3635 -11.1455 -11.1455 -11.1455 -11.1455 -11.1160 -11.1160 -11.1160 -11.1160 -11.1112 -11.1112 -11.1112 -11.1112 -11.0690 -11.0690 -11.0690 -11.0690 -6.6821 -6.6821 -6.6821 -6.6821 -6.1065 -6.1065 -6.1065 -6.1065 -1.8944 -1.8944 -1.8944 -1.8944 -1.7592 -1.7592 -1.7592 -1.7592 -1.2957 -1.2957 -1.2957 -1.2957 -0.7986 -0.7986 -0.7986 -0.7986 1.3377 1.3377 1.3377 1.3377 2.2976 2.2976 2.2976 2.2976 5.2142 5.2142 5.2142 5.2142 5.4487 5.4487 5.4487 5.4487 5.9249 5.9249 5.9249 5.9249 k = 0.0000 0.0000 0.3077 ( 11532 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3947 -11.3947 -11.3947 -11.3947 -11.3635 -11.3635 -11.3635 -11.3635 -11.1455 -11.1455 -11.1455 -11.1455 -11.1160 -11.1160 -11.1160 -11.1160 -11.1112 -11.1112 -11.1112 -11.1112 -11.0690 -11.0690 -11.0690 -11.0690 -6.6821 -6.6821 -6.6821 -6.6821 -6.1065 -6.1065 -6.1065 -6.1065 -1.8944 -1.8944 -1.8944 -1.8944 -1.7592 -1.7592 -1.7592 -1.7592 -1.2957 -1.2957 -1.2957 -1.2957 -0.7986 -0.7986 -0.7986 -0.7986 1.3377 1.3377 1.3377 1.3377 2.2976 2.2976 2.2976 2.2976 5.2142 5.2142 5.2142 5.2142 5.4487 5.4487 5.4487 5.4487 5.9249 5.9249 5.9249 5.9249 k = 0.0167-0.0000 0.3077 ( 11538 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3951 -11.3951 -11.3944 -11.3944 -11.3637 -11.3637 -11.3634 -11.3634 -11.1455 -11.1455 -11.1454 -11.1454 -11.1165 -11.1165 -11.1154 -11.1154 -11.1115 -11.1115 -11.1109 -11.1109 -11.0694 -11.0694 -11.0687 -11.0687 -6.6816 -6.6816 -6.6816 -6.6816 -6.1069 -6.1069 -6.1067 -6.1067 -1.8943 -1.8943 -1.8943 -1.8943 -1.7595 -1.7595 -1.7593 -1.7593 -1.2959 -1.2959 -1.2957 -1.2957 -0.7998 -0.7998 -0.7997 -0.7997 1.3379 1.3379 1.3381 1.3381 2.2963 2.2963 2.2966 2.2966 5.2123 5.2123 5.2131 5.2131 5.4533 5.4533 5.4541 5.4541 5.9275 5.9275 5.9275 5.9275 k = 0.0333-0.0000 0.3077 ( 11526 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3953 -11.3953 -11.3940 -11.3940 -11.3639 -11.3639 -11.3633 -11.3633 -11.1456 -11.1456 -11.1453 -11.1453 -11.1170 -11.1170 -11.1148 -11.1148 -11.1118 -11.1118 -11.1107 -11.1107 -11.0699 -11.0699 -11.0685 -11.0685 -6.6801 -6.6801 -6.6801 -6.6801 -6.1077 -6.1077 -6.1074 -6.1074 -1.8940 -1.8940 -1.8940 -1.8940 -1.7600 -1.7600 -1.7596 -1.7596 -1.2964 -1.2964 -1.2960 -1.2960 -0.8032 -0.8032 -0.8030 -0.8030 1.3388 1.3388 1.3392 1.3392 2.2929 2.2929 2.2934 2.2934 5.2082 5.2082 5.2096 5.2096 5.4674 5.4674 5.4689 5.4689 5.9351 5.9351 5.9352 5.9352 k = 0.0500-0.0000 0.3077 ( 11524 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3956 -11.3956 -11.3936 -11.3936 -11.3642 -11.3642 -11.3633 -11.3633 -11.1456 -11.1456 -11.1451 -11.1451 -11.1175 -11.1175 -11.1143 -11.1143 -11.1122 -11.1122 -11.1106 -11.1106 -11.0705 -11.0705 -11.0684 -11.0684 -6.6777 -6.6777 -6.6776 -6.6776 -6.1090 -6.1090 -6.1085 -6.1085 -1.8936 -1.8936 -1.8935 -1.8935 -1.7608 -1.7608 -1.7602 -1.7602 -1.2970 -1.2970 -1.2965 -1.2965 -0.8089 -0.8089 -0.8085 -0.8085 1.3404 1.3404 1.3409 1.3409 2.2873 2.2873 2.2880 2.2880 5.2032 5.2032 5.2051 5.2051 5.4897 5.4897 5.4917 5.4917 5.9476 5.9476 5.9478 5.9478 k = 0.0667-0.0000 0.3077 ( 11514 PWs) bands (ev): -27.6876 -27.6876 -27.6876 -27.6876 -27.6823 -27.6823 -27.6823 -27.6823 -11.3958 -11.3958 -11.3932 -11.3932 -11.3646 -11.3646 -11.3634 -11.3634 -11.1457 -11.1457 -11.1450 -11.1450 -11.1180 -11.1180 -11.1139 -11.1139 -11.1124 -11.1124 -11.1105 -11.1105 -11.0712 -11.0712 -11.0684 -11.0684 -6.6742 -6.6742 -6.6741 -6.6741 -6.1109 -6.1109 -6.1102 -6.1102 -1.8929 -1.8929 -1.8928 -1.8928 -1.7618 -1.7618 -1.7611 -1.7611 -1.2979 -1.2979 -1.2972 -1.2972 -0.8168 -0.8168 -0.8163 -0.8163 1.3426 1.3426 1.3433 1.3433 2.2794 2.2794 2.2804 2.2804 5.1989 5.1989 5.2012 5.2012 5.5187 5.5187 5.5211 5.5211 5.9648 5.9648 5.9649 5.9649 k = 0.0833-0.0000 0.3077 ( 11524 PWs) bands (ev): -27.6876 -27.6876 -27.6876 -27.6876 -27.6824 -27.6824 -27.6824 -27.6824 -11.3960 -11.3960 -11.3928 -11.3928 -11.3650 -11.3650 -11.3635 -11.3635 -11.1457 -11.1457 -11.1448 -11.1448 -11.1184 -11.1184 -11.1140 -11.1140 -11.1122 -11.1122 -11.1105 -11.1105 -11.0720 -11.0720 -11.0684 -11.0684 -6.6698 -6.6698 -6.6697 -6.6697 -6.1132 -6.1132 -6.1124 -6.1124 -1.8921 -1.8921 -1.8920 -1.8920 -1.7631 -1.7631 -1.7622 -1.7622 -1.2990 -1.2990 -1.2982 -1.2982 -0.8267 -0.8267 -0.8260 -0.8260 1.3454 1.3454 1.3463 1.3463 2.2694 2.2694 2.2707 2.2707 5.1965 5.1965 5.1991 5.1991 5.5533 5.5533 5.5559 5.5559 5.9862 5.9862 5.9864 5.9864 k = 0.1000-0.0000 0.3077 ( 11544 PWs) bands (ev): -27.6876 -27.6876 -27.6876 -27.6876 -27.6824 -27.6824 -27.6824 -27.6824 -11.3962 -11.3962 -11.3923 -11.3923 -11.3654 -11.3654 -11.3636 -11.3636 -11.1457 -11.1457 -11.1447 -11.1447 -11.1187 -11.1187 -11.1145 -11.1145 -11.1116 -11.1116 -11.1106 -11.1106 -11.0729 -11.0729 -11.0686 -11.0686 -6.6645 -6.6645 -6.6643 -6.6643 -6.1160 -6.1160 -6.1151 -6.1151 -1.8912 -1.8912 -1.8911 -1.8911 -1.7645 -1.7645 -1.7635 -1.7635 -1.3002 -1.3002 -1.2992 -1.2992 -0.8385 -0.8385 -0.8378 -0.8378 1.3489 1.3489 1.3500 1.3500 2.2572 2.2572 2.2587 2.2587 5.1971 5.1971 5.1998 5.1998 5.5925 5.5925 5.5953 5.5953 6.0115 6.0115 6.0117 6.0117 k = 0.1167-0.0000 0.3077 ( 11556 PWs) bands (ev): -27.6875 -27.6875 -27.6875 -27.6875 -27.6825 -27.6825 -27.6825 -27.6825 -11.3963 -11.3963 -11.3918 -11.3918 -11.3659 -11.3659 -11.3638 -11.3638 -11.1457 -11.1457 -11.1445 -11.1445 -11.1190 -11.1190 -11.1152 -11.1152 -11.1110 -11.1110 -11.1107 -11.1107 -11.0739 -11.0739 -11.0689 -11.0689 -6.6582 -6.6582 -6.6580 -6.6580 -6.1194 -6.1194 -6.1183 -6.1183 -1.8902 -1.8902 -1.8901 -1.8901 -1.7662 -1.7662 -1.7650 -1.7650 -1.3015 -1.3015 -1.3004 -1.3004 -0.8521 -0.8521 -0.8513 -0.8513 1.3530 1.3530 1.3543 1.3543 2.2429 2.2429 2.2447 2.2447 5.2013 5.2013 5.2041 5.2041 5.6358 5.6358 5.6387 5.6387 6.0404 6.0404 6.0406 6.0406 k = 0.1333-0.0000 0.3077 ( 11560 PWs) bands (ev): -27.6875 -27.6875 -27.6875 -27.6875 -27.6825 -27.6825 -27.6825 -27.6825 -11.3963 -11.3963 -11.3913 -11.3913 -11.3665 -11.3665 -11.3641 -11.3641 -11.1457 -11.1457 -11.1443 -11.1443 -11.1192 -11.1192 -11.1159 -11.1159 -11.1109 -11.1109 -11.1102 -11.1102 -11.0750 -11.0750 -11.0692 -11.0692 -6.6511 -6.6511 -6.6508 -6.6508 -6.1233 -6.1233 -6.1221 -6.1221 -1.8892 -1.8892 -1.8891 -1.8891 -1.7679 -1.7679 -1.7665 -1.7665 -1.3029 -1.3029 -1.3016 -1.3016 -0.8673 -0.8673 -0.8664 -0.8664 1.3578 1.3578 1.3592 1.3592 2.2266 2.2266 2.2285 2.2285 5.2095 5.2095 5.2124 5.2124 5.6827 5.6827 5.6857 5.6857 6.0723 6.0723 6.0726 6.0726 k = 0.1500-0.0000 0.3077 ( 11560 PWs) bands (ev): -27.6874 -27.6874 -27.6874 -27.6874 -27.6826 -27.6826 -27.6826 -27.6826 -11.3964 -11.3964 -11.3908 -11.3908 -11.3671 -11.3671 -11.3644 -11.3644 -11.1456 -11.1456 -11.1440 -11.1440 -11.1194 -11.1194 -11.1167 -11.1167 -11.1111 -11.1111 -11.1094 -11.1094 -11.0762 -11.0762 -11.0696 -11.0696 -6.6431 -6.6431 -6.6427 -6.6427 -6.1278 -6.1278 -6.1264 -6.1264 -1.8881 -1.8881 -1.8880 -1.8880 -1.7697 -1.7697 -1.7682 -1.7682 -1.3042 -1.3042 -1.3029 -1.3029 -0.8840 -0.8840 -0.8829 -0.8829 1.3632 1.3632 1.3648 1.3648 2.2082 2.2082 2.2104 2.2104 5.2220 5.2220 5.2250 5.2250 5.7328 5.7328 5.7359 5.7359 6.1071 6.1071 6.1074 6.1074 k = 0.1667-0.0000 0.3077 ( 11558 PWs) bands (ev): -27.6873 -27.6873 -27.6873 -27.6873 -27.6826 -27.6826 -27.6826 -27.6826 -11.3964 -11.3964 -11.3903 -11.3903 -11.3678 -11.3678 -11.3647 -11.3647 -11.1456 -11.1456 -11.1438 -11.1438 -11.1195 -11.1195 -11.1175 -11.1175 -11.1114 -11.1114 -11.1086 -11.1086 -11.0774 -11.0774 -11.0701 -11.0701 -6.6342 -6.6342 -6.6338 -6.6338 -6.1328 -6.1328 -6.1312 -6.1312 -1.8871 -1.8871 -1.8870 -1.8870 -1.7716 -1.7716 -1.7699 -1.7699 -1.3055 -1.3055 -1.3041 -1.3041 -0.9019 -0.9019 -0.9007 -0.9007 1.3693 1.3693 1.3710 1.3710 2.1880 2.1880 2.1904 2.1904 5.2391 5.2391 5.2421 5.2421 5.7858 5.7858 5.7889 5.7889 6.1444 6.1444 6.1447 6.1447 k = 0.1833-0.0000 0.3077 ( 11558 PWs) bands (ev): -27.6872 -27.6872 -27.6872 -27.6872 -27.6827 -27.6827 -27.6827 -27.6827 -11.3963 -11.3963 -11.3898 -11.3898 -11.3685 -11.3685 -11.3651 -11.3651 -11.1455 -11.1455 -11.1435 -11.1435 -11.1196 -11.1196 -11.1184 -11.1184 -11.1118 -11.1118 -11.1078 -11.1078 -11.0787 -11.0787 -11.0706 -11.0706 -6.6245 -6.6245 -6.6240 -6.6240 -6.1383 -6.1383 -6.1367 -6.1367 -1.8861 -1.8861 -1.8860 -1.8860 -1.7734 -1.7734 -1.7716 -1.7716 -1.3067 -1.3067 -1.3052 -1.3052 -0.9208 -0.9208 -0.9195 -0.9195 1.3760 1.3760 1.3779 1.3779 2.1661 2.1661 2.1687 2.1687 5.2607 5.2607 5.2638 5.2638 5.8415 5.8415 5.8446 5.8446 6.1840 6.1840 6.1844 6.1844 k = 0.2000-0.0000 0.3077 ( 11558 PWs) bands (ev): -27.6871 -27.6871 -27.6871 -27.6871 -27.6828 -27.6828 -27.6828 -27.6828 -11.3962 -11.3962 -11.3892 -11.3892 -11.3692 -11.3692 -11.3656 -11.3656 -11.1454 -11.1454 -11.1432 -11.1432 -11.1195 -11.1195 -11.1194 -11.1194 -11.1122 -11.1122 -11.1069 -11.1069 -11.0801 -11.0801 -11.0712 -11.0712 -6.6141 -6.6141 -6.6135 -6.6135 -6.1445 -6.1445 -6.1427 -6.1427 -1.8851 -1.8851 -1.8851 -1.8851 -1.7753 -1.7753 -1.7733 -1.7733 -1.3077 -1.3077 -1.3062 -1.3062 -0.9405 -0.9405 -0.9392 -0.9392 1.3833 1.3833 1.3854 1.3854 2.1425 2.1425 2.1453 2.1453 5.2868 5.2868 5.2899 5.2899 5.8994 5.8994 5.9025 5.9025 6.2257 6.2257 6.2262 6.2262 k = 0.2167-0.0000 0.3077 ( 11562 PWs) bands (ev): -27.6870 -27.6870 -27.6870 -27.6870 -27.6828 -27.6828 -27.6828 -27.6828 -11.3961 -11.3961 -11.3887 -11.3887 -11.3700 -11.3700 -11.3661 -11.3661 -11.1452 -11.1452 -11.1428 -11.1428 -11.1204 -11.1204 -11.1195 -11.1195 -11.1127 -11.1127 -11.1060 -11.1060 -11.0815 -11.0815 -11.0719 -11.0719 -6.6029 -6.6029 -6.6023 -6.6023 -6.1512 -6.1512 -6.1493 -6.1493 -1.8842 -1.8842 -1.8842 -1.8842 -1.7771 -1.7771 -1.7751 -1.7751 -1.3085 -1.3085 -1.3070 -1.3070 -0.9609 -0.9609 -0.9595 -0.9595 1.3913 1.3913 1.3936 1.3936 2.1175 2.1175 2.1205 2.1205 5.3173 5.3173 5.3204 5.3204 5.9592 5.9592 5.9623 5.9623 6.2696 6.2696 6.2701 6.2701 k = 0.2333-0.0000 0.3077 ( 11574 PWs) bands (ev): -27.6869 -27.6869 -27.6869 -27.6869 -27.6829 -27.6829 -27.6829 -27.6829 -11.3959 -11.3959 -11.3881 -11.3881 -11.3709 -11.3709 -11.3666 -11.3666 -11.1451 -11.1451 -11.1424 -11.1424 -11.1214 -11.1214 -11.1193 -11.1193 -11.1133 -11.1133 -11.1051 -11.1051 -11.0830 -11.0830 -11.0726 -11.0726 -6.5910 -6.5910 -6.5904 -6.5904 -6.1585 -6.1585 -6.1565 -6.1565 -1.8833 -1.8833 -1.8833 -1.8833 -1.7789 -1.7789 -1.7768 -1.7768 -1.3090 -1.3090 -1.3076 -1.3076 -0.9816 -0.9816 -0.9802 -0.9802 1.3999 1.3999 1.4024 1.4024 2.0913 2.0913 2.0944 2.0944 5.3521 5.3521 5.3551 5.3551 6.0205 6.0205 6.0236 6.0236 6.3153 6.3153 6.3159 6.3159 k = 0.2500-0.0000 0.3077 ( 11570 PWs) bands (ev): -27.6868 -27.6868 -27.6868 -27.6868 -27.6830 -27.6830 -27.6830 -27.6830 -11.3957 -11.3957 -11.3875 -11.3875 -11.3718 -11.3718 -11.3672 -11.3672 -11.1449 -11.1449 -11.1419 -11.1419 -11.1224 -11.1224 -11.1192 -11.1192 -11.1138 -11.1138 -11.1042 -11.1042 -11.0845 -11.0845 -11.0734 -11.0734 -6.5785 -6.5785 -6.5778 -6.5778 -6.1664 -6.1664 -6.1644 -6.1644 -1.8825 -1.8825 -1.8824 -1.8824 -1.7808 -1.7808 -1.7786 -1.7786 -1.3093 -1.3093 -1.3078 -1.3078 -1.0026 -1.0026 -1.0011 -1.0011 1.4092 1.4092 1.4119 1.4119 2.0640 2.0640 2.0673 2.0673 5.3909 5.3909 5.3939 5.3939 6.0827 6.0827 6.0857 6.0857 6.3631 6.3631 6.3637 6.3637 k = 0.2667-0.0000 0.3077 ( 11578 PWs) bands (ev): -27.6867 -27.6867 -27.6867 -27.6867 -27.6831 -27.6831 -27.6831 -27.6831 -11.3954 -11.3954 -11.3869 -11.3869 -11.3727 -11.3727 -11.3678 -11.3678 -11.1447 -11.1447 -11.1415 -11.1415 -11.1234 -11.1234 -11.1190 -11.1190 -11.1144 -11.1144 -11.1033 -11.1033 -11.0860 -11.0860 -11.0742 -11.0742 -6.5654 -6.5654 -6.5647 -6.5647 -6.1749 -6.1749 -6.1728 -6.1728 -1.8816 -1.8816 -1.8815 -1.8815 -1.7827 -1.7827 -1.7805 -1.7805 -1.3092 -1.3092 -1.3078 -1.3078 -1.0236 -1.0236 -1.0221 -1.0221 1.4193 1.4193 1.4221 1.4221 2.0358 2.0358 2.0392 2.0392 5.4336 5.4336 5.4366 5.4366 6.1453 6.1453 6.1482 6.1482 6.4128 6.4128 6.4134 6.4134 k = 0.2833-0.0000 0.3077 ( 11578 PWs) bands (ev): -27.6866 -27.6866 -27.6866 -27.6866 -27.6832 -27.6832 -27.6832 -27.6832 -11.3951 -11.3951 -11.3863 -11.3863 -11.3736 -11.3736 -11.3684 -11.3684 -11.1444 -11.1444 -11.1409 -11.1409 -11.1245 -11.1245 -11.1188 -11.1188 -11.1149 -11.1149 -11.1023 -11.1023 -11.0876 -11.0876 -11.0750 -11.0750 -6.5518 -6.5518 -6.5510 -6.5510 -6.1839 -6.1839 -6.1818 -6.1818 -1.8805 -1.8805 -1.8805 -1.8805 -1.7848 -1.7848 -1.7825 -1.7825 -1.3087 -1.3087 -1.3074 -1.3074 -1.0444 -1.0444 -1.0429 -1.0429 1.4300 1.4300 1.4330 1.4330 2.0070 2.0070 2.0106 2.0106 5.4800 5.4800 5.4828 5.4828 6.2076 6.2076 6.2104 6.2104 6.4644 6.4644 6.4651 6.4651 k = 0.3000-0.0000 0.3077 ( 11576 PWs) bands (ev): -27.6865 -27.6865 -27.6865 -27.6865 -27.6833 -27.6833 -27.6833 -27.6833 -11.3947 -11.3947 -11.3857 -11.3857 -11.3746 -11.3746 -11.3690 -11.3690 -11.1441 -11.1441 -11.1403 -11.1403 -11.1255 -11.1255 -11.1187 -11.1187 -11.1153 -11.1153 -11.1013 -11.1013 -11.0892 -11.0892 -11.0759 -11.0759 -6.5377 -6.5377 -6.5368 -6.5368 -6.1936 -6.1936 -6.1914 -6.1914 -1.8794 -1.8794 -1.8793 -1.8793 -1.7870 -1.7870 -1.7848 -1.7848 -1.3078 -1.3078 -1.3066 -1.3066 -1.0649 -1.0649 -1.0634 -1.0634 1.4415 1.4415 1.4446 1.4446 1.9777 1.9777 1.9814 1.9814 5.5296 5.5296 5.5324 5.5324 6.2689 6.2689 6.2715 6.2715 6.5180 6.5180 6.5188 6.5188 k = 0.3167-0.0000 0.3077 ( 11570 PWs) bands (ev): -27.6863 -27.6863 -27.6863 -27.6863 -27.6834 -27.6834 -27.6834 -27.6834 -11.3943 -11.3943 -11.3851 -11.3851 -11.3756 -11.3756 -11.3697 -11.3697 -11.1438 -11.1438 -11.1397 -11.1397 -11.1266 -11.1266 -11.1189 -11.1189 -11.1154 -11.1154 -11.1003 -11.1003 -11.0908 -11.0908 -11.0769 -11.0769 -6.5231 -6.5231 -6.5221 -6.5221 -6.2039 -6.2039 -6.2017 -6.2017 -1.8780 -1.8780 -1.8778 -1.8778 -1.7895 -1.7895 -1.7873 -1.7873 -1.3065 -1.3065 -1.3053 -1.3053 -1.0849 -1.0849 -1.0833 -1.0833 1.4538 1.4538 1.4570 1.4570 1.9482 1.9482 1.9520 1.9520 5.5825 5.5825 5.5851 5.5851 6.3281 6.3281 6.3306 6.3306 6.5735 6.5735 6.5743 6.5743 k = 0.3333-0.0000 0.3077 ( 11570 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6835 -27.6835 -27.6835 -27.6835 -11.3938 -11.3938 -11.3845 -11.3845 -11.3766 -11.3766 -11.3704 -11.3704 -11.1434 -11.1434 -11.1390 -11.1390 -11.1277 -11.1277 -11.1193 -11.1193 -11.1153 -11.1153 -11.0993 -11.0993 -11.0924 -11.0924 -11.0778 -11.0778 -6.5082 -6.5082 -6.5071 -6.5071 -6.2147 -6.2147 -6.2125 -6.2125 -1.8763 -1.8763 -1.8761 -1.8761 -1.7923 -1.7923 -1.7901 -1.7901 -1.3046 -1.3046 -1.3036 -1.3036 -1.1043 -1.1043 -1.1027 -1.1027 1.4669 1.4669 1.4703 1.4703 1.9186 1.9186 1.9225 1.9225 5.6382 5.6382 5.6407 5.6407 6.3842 6.3842 6.3865 6.3865 6.6307 6.6307 6.6315 6.6315 k = 0.3500-0.0000 0.3077 ( 11566 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6836 -27.6836 -27.6836 -27.6836 -11.3933 -11.3933 -11.3839 -11.3839 -11.3776 -11.3776 -11.3711 -11.3711 -11.1430 -11.1430 -11.1382 -11.1382 -11.1287 -11.1287 -11.1200 -11.1200 -11.1149 -11.1149 -11.0982 -11.0982 -11.0939 -11.0939 -11.0788 -11.0788 -6.4929 -6.4929 -6.4918 -6.4918 -6.2261 -6.2261 -6.2239 -6.2239 -1.8742 -1.8742 -1.8740 -1.8740 -1.7954 -1.7954 -1.7933 -1.7933 -1.3021 -1.3021 -1.3012 -1.3012 -1.1229 -1.1229 -1.1214 -1.1214 1.4808 1.4808 1.4843 1.4843 1.8890 1.8890 1.8930 1.8930 5.6965 5.6965 5.6989 5.6989 6.4357 6.4357 6.4378 6.4378 6.6892 6.6892 6.6902 6.6902 k = 0.3667-0.0000 0.3077 ( 11564 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6837 -27.6837 -27.6837 -27.6837 -11.3927 -11.3927 -11.3832 -11.3832 -11.3787 -11.3787 -11.3719 -11.3719 -11.1426 -11.1426 -11.1374 -11.1374 -11.1298 -11.1298 -11.1208 -11.1208 -11.1143 -11.1143 -11.0972 -11.0972 -11.0955 -11.0955 -11.0798 -11.0798 -6.4774 -6.4774 -6.4762 -6.4762 -6.2381 -6.2381 -6.2359 -6.2359 -1.8718 -1.8718 -1.8715 -1.8715 -1.7990 -1.7990 -1.7969 -1.7969 -1.2990 -1.2990 -1.2983 -1.2983 -1.1407 -1.1407 -1.1392 -1.1392 1.4956 1.4956 1.4992 1.4992 1.8597 1.8597 1.8638 1.8638 5.7572 5.7572 5.7595 5.7595 6.4807 6.4807 6.4825 6.4825 6.7486 6.7486 6.7496 6.7496 k = 0.3833-0.0000 0.3077 ( 11554 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3921 -11.3921 -11.3826 -11.3826 -11.3797 -11.3797 -11.3726 -11.3726 -11.1421 -11.1421 -11.1365 -11.1365 -11.1308 -11.1308 -11.1218 -11.1218 -11.1136 -11.1136 -11.0970 -11.0970 -11.0961 -11.0961 -11.0808 -11.0808 -6.4617 -6.4617 -6.4603 -6.4603 -6.2506 -6.2506 -6.2484 -6.2484 -1.8690 -1.8690 -1.8686 -1.8686 -1.8029 -1.8029 -1.8009 -1.8009 -1.2953 -1.2953 -1.2947 -1.2947 -1.1576 -1.1576 -1.1562 -1.1562 1.5113 1.5113 1.5150 1.5150 1.8308 1.8308 1.8349 1.8349 5.8201 5.8201 5.8222 5.8222 6.5158 6.5158 6.5173 6.5173 6.8076 6.8076 6.8086 6.8086 k = 0.4000-0.0000 0.3077 ( 11558 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6840 -27.6840 -27.6840 -27.6840 -11.3914 -11.3914 -11.3819 -11.3819 -11.3807 -11.3807 -11.3733 -11.3733 -11.1415 -11.1415 -11.1356 -11.1356 -11.1319 -11.1319 -11.1228 -11.1228 -11.1128 -11.1128 -11.0985 -11.0985 -11.0950 -11.0950 -11.0819 -11.0819 -6.4458 -6.4458 -6.4444 -6.4444 -6.2636 -6.2636 -6.2615 -6.2615 -1.8657 -1.8657 -1.8652 -1.8652 -1.8072 -1.8072 -1.8053 -1.8053 -1.2908 -1.2908 -1.2905 -1.2905 -1.1736 -1.1736 -1.1722 -1.1722 1.5279 1.5279 1.5317 1.5317 1.8024 1.8024 1.8066 1.8066 5.8849 5.8849 5.8869 5.8869 6.5363 6.5363 6.5374 6.5374 6.8640 6.8640 6.8647 6.8647 k = 0.4167-0.0000 0.3077 ( 11550 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6841 -27.6841 -27.6841 -27.6841 -11.3907 -11.3907 -11.3818 -11.3818 -11.3812 -11.3812 -11.3741 -11.3741 -11.1409 -11.1409 -11.1346 -11.1346 -11.1329 -11.1329 -11.1238 -11.1238 -11.1119 -11.1119 -11.1000 -11.1000 -11.0939 -11.0939 -11.0830 -11.0830 -6.4298 -6.4298 -6.4283 -6.4283 -6.2771 -6.2771 -6.2750 -6.2750 -1.8620 -1.8620 -1.8614 -1.8614 -1.8118 -1.8118 -1.8100 -1.8100 -1.2857 -1.2857 -1.2855 -1.2855 -1.1885 -1.1885 -1.1872 -1.1872 1.5454 1.5454 1.5493 1.5493 1.7747 1.7747 1.7789 1.7789 5.9514 5.9514 5.9532 5.9532 6.5370 6.5370 6.5377 6.5377 6.9101 6.9101 6.9102 6.9102 k = 0.4333-0.0000 0.3077 ( 11556 PWs) bands (ev): -27.6854 -27.6854 -27.6854 -27.6854 -27.6842 -27.6842 -27.6842 -27.6842 -11.3900 -11.3900 -11.3828 -11.3828 -11.3806 -11.3806 -11.3748 -11.3748 -11.1403 -11.1403 -11.1338 -11.1338 -11.1337 -11.1337 -11.1249 -11.1249 -11.1110 -11.1110 -11.1014 -11.1014 -11.0928 -11.0928 -11.0840 -11.0840 -6.4138 -6.4138 -6.4122 -6.4122 -6.2911 -6.2911 -6.2890 -6.2890 -1.8579 -1.8579 -1.8572 -1.8572 -1.8168 -1.8168 -1.8151 -1.8151 -1.2798 -1.2798 -1.2798 -1.2798 -1.2025 -1.2025 -1.2013 -1.2013 1.5639 1.5639 1.5679 1.5679 1.7476 1.7476 1.7518 1.7518 6.0192 6.0192 6.0208 6.0208 6.5157 6.5157 6.5159 6.5159 6.9374 6.9374 6.9382 6.9382 k = 0.4500-0.0000 0.3077 ( 11552 PWs) bands (ev): -27.6852 -27.6852 -27.6852 -27.6852 -27.6844 -27.6844 -27.6844 -27.6844 -11.3892 -11.3892 -11.3838 -11.3838 -11.3799 -11.3799 -11.3756 -11.3756 -11.1397 -11.1397 -11.1348 -11.1348 -11.1326 -11.1326 -11.1260 -11.1260 -11.1100 -11.1100 -11.1028 -11.1028 -11.0917 -11.0917 -11.0851 -11.0851 -6.3978 -6.3978 -6.3962 -6.3962 -6.3054 -6.3054 -6.3034 -6.3034 -1.8534 -1.8534 -1.8526 -1.8526 -1.8219 -1.8219 -1.8204 -1.8204 -1.2732 -1.2732 -1.2731 -1.2731 -1.2155 -1.2155 -1.2144 -1.2144 1.5834 1.5834 1.5875 1.5875 1.7214 1.7214 1.7256 1.7256 6.0880 6.0880 6.0894 6.0894 6.4754 6.4754 6.4755 6.4755 6.9628 6.9628 6.9638 6.9638 k = 0.4667-0.0000 0.3077 ( 11550 PWs) bands (ev): -27.6851 -27.6851 -27.6851 -27.6851 -27.6845 -27.6845 -27.6845 -27.6845 -11.3884 -11.3884 -11.3847 -11.3847 -11.3792 -11.3792 -11.3763 -11.3763 -11.1390 -11.1390 -11.1357 -11.1357 -11.1316 -11.1316 -11.1271 -11.1271 -11.1089 -11.1089 -11.1041 -11.1041 -11.0906 -11.0906 -11.0862 -11.0862 -6.3819 -6.3819 -6.3802 -6.3802 -6.3201 -6.3201 -6.3181 -6.3181 -1.8485 -1.8485 -1.8476 -1.8476 -1.8273 -1.8273 -1.8259 -1.8259 -1.2659 -1.2659 -1.2655 -1.2655 -1.2274 -1.2274 -1.2265 -1.2265 1.6040 1.6040 1.6081 1.6081 1.6960 1.6960 1.7002 1.7002 6.1573 6.1573 6.1585 6.1585 6.4220 6.4220 6.4224 6.4224 6.9940 6.9940 6.9951 6.9951 k = 0.4833-0.0000 0.3077 ( 11556 PWs) bands (ev): -27.6849 -27.6849 -27.6849 -27.6849 -27.6847 -27.6847 -27.6847 -27.6847 -11.3875 -11.3875 -11.3857 -11.3857 -11.3785 -11.3785 -11.3770 -11.3770 -11.1382 -11.1382 -11.1366 -11.1366 -11.1305 -11.1305 -11.1282 -11.1282 -11.1078 -11.1078 -11.1054 -11.1054 -11.0895 -11.0895 -11.0873 -11.0873 -6.3661 -6.3661 -6.3643 -6.3643 -6.3352 -6.3352 -6.3333 -6.3333 -1.8434 -1.8434 -1.8424 -1.8424 -1.8327 -1.8327 -1.8315 -1.8315 -1.2576 -1.2576 -1.2571 -1.2571 -1.2385 -1.2385 -1.2376 -1.2376 1.6255 1.6255 1.6296 1.6296 1.6715 1.6715 1.6757 1.6757 6.2265 6.2265 6.2276 6.2276 6.3606 6.3606 6.3612 6.3612 7.0291 7.0291 7.0302 7.0302 k = 0.5000-0.0000 0.3077 ( 11560 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3866 -11.3866 -11.3866 -11.3866 -11.3778 -11.3778 -11.3778 -11.3778 -11.1374 -11.1374 -11.1374 -11.1374 -11.1294 -11.1294 -11.1294 -11.1294 -11.1066 -11.1066 -11.1066 -11.1066 -11.0884 -11.0884 -11.0884 -11.0884 -6.3505 -6.3505 -6.3505 -6.3505 -6.3487 -6.3487 -6.3487 -6.3487 -1.8381 -1.8381 -1.8381 -1.8381 -1.8370 -1.8370 -1.8370 -1.8370 -1.2485 -1.2485 -1.2485 -1.2485 -1.2478 -1.2478 -1.2478 -1.2478 1.6480 1.6480 1.6480 1.6480 1.6522 1.6522 1.6522 1.6522 6.2947 6.2947 6.2947 6.2947 6.2956 6.2956 6.2956 6.2956 7.0648 7.0648 7.0650 7.0657 k = 0.5000-0.0000 0.3077 ( 11560 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3866 -11.3866 -11.3866 -11.3866 -11.3778 -11.3778 -11.3778 -11.3778 -11.1374 -11.1374 -11.1374 -11.1374 -11.1294 -11.1294 -11.1294 -11.1294 -11.1066 -11.1066 -11.1066 -11.1066 -11.0884 -11.0884 -11.0884 -11.0884 -6.3505 -6.3505 -6.3505 -6.3505 -6.3487 -6.3487 -6.3487 -6.3487 -1.8381 -1.8381 -1.8381 -1.8381 -1.8370 -1.8370 -1.8370 -1.8370 -1.2485 -1.2485 -1.2485 -1.2485 -1.2478 -1.2478 -1.2478 -1.2478 1.6480 1.6480 1.6480 1.6480 1.6522 1.6522 1.6522 1.6522 6.2947 6.2947 6.2947 6.2947 6.2956 6.2956 6.2956 6.2956 7.0648 7.0650 7.0653 7.0657 k = 0.5000 0.0165 0.3077 ( 11556 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3867 -11.3867 -11.3866 -11.3866 -11.3778 -11.3778 -11.3778 -11.3778 -11.1383 -11.1383 -11.1366 -11.1366 -11.1295 -11.1295 -11.1295 -11.1295 -11.1065 -11.1065 -11.1064 -11.1064 -11.0892 -11.0892 -11.0876 -11.0876 -6.3505 -6.3505 -6.3504 -6.3504 -6.3486 -6.3486 -6.3486 -6.3486 -1.8387 -1.8387 -1.8386 -1.8386 -1.8376 -1.8376 -1.8374 -1.8374 -1.2483 -1.2483 -1.2482 -1.2482 -1.2476 -1.2476 -1.2475 -1.2475 1.6485 1.6485 1.6485 1.6485 1.6526 1.6526 1.6527 1.6527 6.2899 6.2899 6.2901 6.2901 6.2906 6.2906 6.2911 6.2911 7.0708 7.0709 7.0712 7.0714 k = 0.5000 0.0331 0.3077 ( 11576 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3868 -11.3868 -11.3866 -11.3866 -11.3780 -11.3780 -11.3778 -11.3778 -11.1392 -11.1392 -11.1358 -11.1358 -11.1299 -11.1299 -11.1298 -11.1298 -11.1061 -11.1061 -11.1060 -11.1060 -11.0899 -11.0899 -11.0868 -11.0868 -6.3502 -6.3502 -6.3500 -6.3500 -6.3483 -6.3483 -6.3482 -6.3482 -1.8404 -1.8404 -1.8401 -1.8401 -1.8392 -1.8392 -1.8389 -1.8389 -1.2476 -1.2476 -1.2474 -1.2474 -1.2470 -1.2470 -1.2467 -1.2467 1.6499 1.6499 1.6499 1.6499 1.6540 1.6540 1.6541 1.6541 6.2762 6.2762 6.2765 6.2765 6.2767 6.2767 6.2777 6.2777 7.0885 7.0890 7.0891 7.0896 k = 0.5000 0.0496 0.3077 ( 11572 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3869 -11.3869 -11.3865 -11.3865 -11.3781 -11.3781 -11.3780 -11.3780 -11.1402 -11.1402 -11.1351 -11.1351 -11.1305 -11.1305 -11.1303 -11.1303 -11.1055 -11.1055 -11.1054 -11.1054 -11.0906 -11.0906 -11.0859 -11.0859 -6.3497 -6.3497 -6.3495 -6.3495 -6.3478 -6.3478 -6.3477 -6.3477 -1.8430 -1.8430 -1.8425 -1.8425 -1.8418 -1.8418 -1.8414 -1.8414 -1.2464 -1.2464 -1.2462 -1.2462 -1.2458 -1.2458 -1.2455 -1.2455 1.6522 1.6522 1.6523 1.6523 1.6562 1.6562 1.6565 1.6565 6.2550 6.2550 6.2553 6.2553 6.2555 6.2555 6.2568 6.2568 7.1149 7.1154 7.1155 7.1160 k = 0.5000 0.0661 0.3077 ( 11576 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3871 -11.3871 -11.3866 -11.3866 -11.3784 -11.3784 -11.3781 -11.3781 -11.1411 -11.1411 -11.1345 -11.1345 -11.1312 -11.1312 -11.1310 -11.1310 -11.1046 -11.1046 -11.1046 -11.1046 -11.0911 -11.0911 -11.0850 -11.0850 -6.3490 -6.3490 -6.3487 -6.3487 -6.3471 -6.3471 -6.3470 -6.3470 -1.8465 -1.8465 -1.8459 -1.8459 -1.8454 -1.8454 -1.8449 -1.8449 -1.2448 -1.2448 -1.2445 -1.2445 -1.2442 -1.2442 -1.2438 -1.2438 1.6554 1.6554 1.6555 1.6555 1.6594 1.6594 1.6596 1.6596 6.2283 6.2283 6.2285 6.2285 6.2289 6.2289 6.2303 6.2303 7.1449 7.1452 7.1454 7.1458 k = 0.5000 0.0827 0.3077 ( 11572 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3872 -11.3872 -11.3866 -11.3866 -11.3787 -11.3787 -11.3784 -11.3784 -11.1421 -11.1421 -11.1341 -11.1341 -11.1322 -11.1322 -11.1317 -11.1317 -11.1036 -11.1036 -11.1035 -11.1035 -11.0916 -11.0916 -11.0841 -11.0841 -6.3481 -6.3481 -6.3477 -6.3477 -6.3462 -6.3462 -6.3461 -6.3461 -1.8509 -1.8509 -1.8502 -1.8502 -1.8498 -1.8498 -1.8492 -1.8492 -1.2427 -1.2427 -1.2424 -1.2424 -1.2421 -1.2421 -1.2416 -1.2416 1.6594 1.6594 1.6595 1.6595 1.6633 1.6633 1.6636 1.6636 6.1979 6.1979 6.1979 6.1979 6.1986 6.1986 6.2000 6.2000 7.1686 7.1690 7.1702 7.1703 k = 0.5000 0.0992 0.3077 ( 11564 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3874 -11.3874 -11.3866 -11.3866 -11.3790 -11.3790 -11.3787 -11.3787 -11.1430 -11.1430 -11.1337 -11.1337 -11.1332 -11.1332 -11.1325 -11.1325 -11.1026 -11.1026 -11.1023 -11.1023 -11.0920 -11.0920 -11.0833 -11.0833 -6.3470 -6.3470 -6.3466 -6.3466 -6.3451 -6.3451 -6.3450 -6.3450 -1.8561 -1.8561 -1.8552 -1.8552 -1.8550 -1.8550 -1.8543 -1.8543 -1.2403 -1.2403 -1.2399 -1.2399 -1.2397 -1.2397 -1.2392 -1.2392 1.6642 1.6642 1.6643 1.6643 1.6679 1.6679 1.6683 1.6683 6.1653 6.1653 6.1654 6.1654 6.1662 6.1662 6.1677 6.1677 7.1794 7.1802 7.1815 7.1816 k = 0.5000 0.1158 0.3077 ( 11560 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3876 -11.3876 -11.3867 -11.3867 -11.3794 -11.3794 -11.3790 -11.3790 -11.1439 -11.1439 -11.1344 -11.1344 -11.1334 -11.1334 -11.1333 -11.1333 -11.1015 -11.1015 -11.1010 -11.1010 -11.0922 -11.0922 -11.0824 -11.0824 -6.3458 -6.3458 -6.3453 -6.3453 -6.3439 -6.3439 -6.3438 -6.3438 -1.8619 -1.8619 -1.8610 -1.8610 -1.8608 -1.8608 -1.8600 -1.8600 -1.2376 -1.2376 -1.2371 -1.2371 -1.2370 -1.2370 -1.2364 -1.2364 1.6695 1.6695 1.6697 1.6697 1.6732 1.6732 1.6736 1.6736 6.1319 6.1319 6.1321 6.1321 6.1331 6.1331 6.1345 6.1345 7.1803 7.1806 7.1816 7.1826 k = 0.5000 0.1323 0.3077 ( 11572 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3878 -11.3878 -11.3868 -11.3868 -11.3799 -11.3799 -11.3794 -11.3794 -11.1448 -11.1448 -11.1356 -11.1356 -11.1342 -11.1342 -11.1333 -11.1333 -11.1004 -11.1004 -11.0996 -11.0996 -11.0924 -11.0924 -11.0817 -11.0817 -6.3444 -6.3444 -6.3439 -6.3439 -6.3426 -6.3426 -6.3425 -6.3425 -1.8683 -1.8683 -1.8673 -1.8673 -1.8673 -1.8673 -1.8664 -1.8664 -1.2346 -1.2346 -1.2341 -1.2341 -1.2341 -1.2341 -1.2334 -1.2334 1.6755 1.6755 1.6756 1.6756 1.6789 1.6789 1.6795 1.6795 6.0988 6.0988 6.0991 6.0991 6.1001 6.1001 6.1016 6.1016 7.1756 7.1759 7.1767 7.1780 k = 0.5000 0.1488 0.3077 ( 11560 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3879 -11.3879 -11.3869 -11.3869 -11.3804 -11.3804 -11.3798 -11.3798 -11.1457 -11.1457 -11.1368 -11.1368 -11.1349 -11.1349 -11.1332 -11.1332 -11.0993 -11.0993 -11.0981 -11.0981 -11.0925 -11.0925 -11.0809 -11.0809 -6.3429 -6.3429 -6.3423 -6.3423 -6.3411 -6.3411 -6.3410 -6.3410 -1.8750 -1.8750 -1.8741 -1.8741 -1.8740 -1.8740 -1.8732 -1.8732 -1.2315 -1.2315 -1.2310 -1.2310 -1.2309 -1.2309 -1.2302 -1.2302 1.6818 1.6818 1.6820 1.6820 1.6851 1.6851 1.6857 1.6857 6.0666 6.0666 6.0670 6.0670 6.0681 6.0681 6.0696 6.0696 7.1678 7.1679 7.1685 7.1689 k = 0.5000 0.1654 0.3077 ( 11556 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3881 -11.3881 -11.3870 -11.3870 -11.3809 -11.3809 -11.3802 -11.3802 -11.1465 -11.1465 -11.1380 -11.1380 -11.1357 -11.1357 -11.1333 -11.1333 -11.0982 -11.0982 -11.0966 -11.0966 -11.0924 -11.0924 -11.0802 -11.0802 -6.3414 -6.3414 -6.3407 -6.3407 -6.3396 -6.3396 -6.3395 -6.3395 -1.8821 -1.8821 -1.8812 -1.8812 -1.8811 -1.8811 -1.8803 -1.8803 -1.2282 -1.2282 -1.2277 -1.2277 -1.2276 -1.2276 -1.2270 -1.2270 1.6885 1.6885 1.6886 1.6886 1.6916 1.6916 1.6922 1.6922 6.0360 6.0360 6.0364 6.0364 6.0377 6.0377 6.0391 6.0391 7.1580 7.1581 7.1585 7.1588 k = 0.5000 0.1819 0.3077 ( 11540 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3883 -11.3883 -11.3870 -11.3870 -11.3814 -11.3814 -11.3807 -11.3807 -11.1472 -11.1472 -11.1392 -11.1392 -11.1364 -11.1364 -11.1335 -11.1335 -11.0971 -11.0971 -11.0951 -11.0951 -11.0923 -11.0923 -11.0796 -11.0796 -6.3397 -6.3397 -6.3390 -6.3390 -6.3380 -6.3380 -6.3379 -6.3379 -1.8894 -1.8894 -1.8885 -1.8885 -1.8883 -1.8883 -1.8876 -1.8876 -1.2248 -1.2248 -1.2244 -1.2244 -1.2243 -1.2243 -1.2236 -1.2236 1.6954 1.6954 1.6955 1.6955 1.6983 1.6983 1.6989 1.6989 6.0073 6.0073 6.0078 6.0078 6.0091 6.0091 6.0106 6.0106 7.1467 7.1467 7.1470 7.1473 k = 0.5000 0.1984 0.3077 ( 11540 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3885 -11.3885 -11.3871 -11.3871 -11.3820 -11.3820 -11.3812 -11.3812 -11.1479 -11.1479 -11.1404 -11.1404 -11.1370 -11.1370 -11.1337 -11.1337 -11.0961 -11.0961 -11.0936 -11.0936 -11.0921 -11.0921 -11.0791 -11.0791 -6.3380 -6.3380 -6.3373 -6.3373 -6.3364 -6.3364 -6.3363 -6.3363 -1.8967 -1.8967 -1.8959 -1.8959 -1.8956 -1.8956 -1.8949 -1.8949 -1.2214 -1.2214 -1.2210 -1.2210 -1.2209 -1.2209 -1.2203 -1.2203 1.7023 1.7023 1.7025 1.7025 1.7051 1.7051 1.7057 1.7057 5.9808 5.9808 5.9813 5.9813 5.9828 5.9828 5.9842 5.9842 7.1342 7.1342 7.1344 7.1347 k = 0.5000 0.2150 0.3077 ( 11552 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3886 -11.3886 -11.3872 -11.3872 -11.3825 -11.3825 -11.3817 -11.3817 -11.1485 -11.1485 -11.1415 -11.1415 -11.1376 -11.1376 -11.1341 -11.1341 -11.0952 -11.0952 -11.0921 -11.0921 -11.0919 -11.0919 -11.0786 -11.0786 -6.3363 -6.3363 -6.3356 -6.3356 -6.3348 -6.3348 -6.3347 -6.3347 -1.9039 -1.9039 -1.9032 -1.9032 -1.9028 -1.9028 -1.9023 -1.9023 -1.2181 -1.2181 -1.2177 -1.2177 -1.2176 -1.2176 -1.2170 -1.2170 1.7092 1.7092 1.7093 1.7093 1.7118 1.7118 1.7124 1.7124 5.9566 5.9566 5.9572 5.9572 5.9588 5.9588 5.9601 5.9601 7.1210 7.1210 7.1214 7.1226 k = 0.5000 0.2315 0.3077 ( 11544 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3887 -11.3887 -11.3873 -11.3873 -11.3831 -11.3831 -11.3822 -11.3822 -11.1490 -11.1490 -11.1426 -11.1426 -11.1381 -11.1381 -11.1345 -11.1345 -11.0943 -11.0943 -11.0916 -11.0916 -11.0907 -11.0907 -11.0783 -11.0783 -6.3347 -6.3347 -6.3339 -6.3339 -6.3332 -6.3332 -6.3331 -6.3331 -1.9110 -1.9110 -1.9102 -1.9102 -1.9099 -1.9099 -1.9094 -1.9094 -1.2149 -1.2149 -1.2145 -1.2145 -1.2144 -1.2144 -1.2138 -1.2138 1.7160 1.7160 1.7161 1.7161 1.7183 1.7183 1.7189 1.7189 5.9349 5.9349 5.9355 5.9355 5.9372 5.9372 5.9385 5.9385 7.1073 7.1073 7.1074 7.1074 k = 0.5000 0.2481 0.3077 ( 11540 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3888 -11.3888 -11.3873 -11.3873 -11.3837 -11.3837 -11.3827 -11.3827 -11.1495 -11.1495 -11.1436 -11.1436 -11.1385 -11.1385 -11.1349 -11.1349 -11.0934 -11.0934 -11.0913 -11.0913 -11.0893 -11.0893 -11.0780 -11.0780 -6.3331 -6.3331 -6.3323 -6.3323 -6.3317 -6.3317 -6.3316 -6.3316 -1.9177 -1.9177 -1.9170 -1.9170 -1.9167 -1.9167 -1.9162 -1.9162 -1.2118 -1.2118 -1.2115 -1.2115 -1.2114 -1.2114 -1.2108 -1.2108 1.7224 1.7224 1.7225 1.7225 1.7245 1.7245 1.7252 1.7252 5.9156 5.9156 5.9162 5.9162 5.9181 5.9181 5.9193 5.9193 7.0934 7.0935 7.0936 7.0948 k = 0.5000 0.2646 0.3077 ( 11552 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3889 -11.3889 -11.3874 -11.3874 -11.3843 -11.3843 -11.3832 -11.3832 -11.1499 -11.1499 -11.1446 -11.1446 -11.1388 -11.1388 -11.1354 -11.1354 -11.0927 -11.0927 -11.0910 -11.0910 -11.0879 -11.0879 -11.0778 -11.0778 -6.3315 -6.3315 -6.3308 -6.3308 -6.3302 -6.3302 -6.3302 -6.3302 -1.9240 -1.9240 -1.9234 -1.9234 -1.9230 -1.9230 -1.9226 -1.9226 -1.2089 -1.2089 -1.2087 -1.2087 -1.2085 -1.2085 -1.2080 -1.2080 1.7285 1.7285 1.7286 1.7286 1.7304 1.7304 1.7310 1.7310 5.8988 5.8988 5.8994 5.8994 5.9014 5.9014 5.9026 5.9026 7.0798 7.0798 7.0799 7.0810 k = 0.5000 0.2811 0.3077 ( 11564 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3889 -11.3889 -11.3874 -11.3874 -11.3848 -11.3848 -11.3837 -11.3837 -11.1502 -11.1502 -11.1456 -11.1456 -11.1391 -11.1391 -11.1359 -11.1359 -11.0920 -11.0920 -11.0907 -11.0907 -11.0867 -11.0867 -11.0777 -11.0777 -6.3301 -6.3301 -6.3294 -6.3294 -6.3289 -6.3289 -6.3289 -6.3289 -1.9298 -1.9298 -1.9292 -1.9292 -1.9289 -1.9289 -1.9286 -1.9286 -1.2063 -1.2063 -1.2061 -1.2061 -1.2059 -1.2059 -1.2055 -1.2055 1.7342 1.7342 1.7342 1.7342 1.7357 1.7357 1.7364 1.7364 5.8844 5.8844 5.8849 5.8849 5.8871 5.8871 5.8882 5.8882 7.0666 7.0666 7.0668 7.0669 k = 0.5000 0.2977 0.3077 ( 11568 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3889 -11.3889 -11.3874 -11.3874 -11.3854 -11.3854 -11.3842 -11.3842 -11.1504 -11.1504 -11.1464 -11.1464 -11.1393 -11.1393 -11.1364 -11.1364 -11.0914 -11.0914 -11.0904 -11.0904 -11.0854 -11.0854 -11.0777 -11.0777 -6.3288 -6.3288 -6.3281 -6.3281 -6.3277 -6.3277 -6.3276 -6.3276 -1.9350 -1.9350 -1.9345 -1.9345 -1.9342 -1.9342 -1.9339 -1.9339 -1.2039 -1.2039 -1.2037 -1.2037 -1.2036 -1.2036 -1.2032 -1.2032 1.7392 1.7392 1.7392 1.7392 1.7406 1.7406 1.7412 1.7412 5.8722 5.8722 5.8727 5.8727 5.8751 5.8751 5.8761 5.8761 7.0543 7.0544 7.0545 7.0555 k = 0.5000 0.3142 0.3077 ( 11564 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3889 -11.3889 -11.3873 -11.3873 -11.3859 -11.3859 -11.3847 -11.3847 -11.1506 -11.1506 -11.1472 -11.1472 -11.1394 -11.1394 -11.1368 -11.1368 -11.0909 -11.0909 -11.0902 -11.0902 -11.0843 -11.0843 -11.0778 -11.0778 -6.3276 -6.3276 -6.3269 -6.3269 -6.3267 -6.3267 -6.3266 -6.3266 -1.9395 -1.9395 -1.9390 -1.9390 -1.9388 -1.9388 -1.9386 -1.9386 -1.2018 -1.2018 -1.2017 -1.2017 -1.2016 -1.2016 -1.2012 -1.2012 1.7436 1.7436 1.7437 1.7437 1.7448 1.7448 1.7453 1.7453 5.8622 5.8622 5.8627 5.8627 5.8653 5.8653 5.8661 5.8661 7.0432 7.0433 7.0435 7.0442 k = 0.5000 0.3307 0.3077 ( 11560 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3888 -11.3888 -11.3872 -11.3872 -11.3864 -11.3864 -11.3851 -11.3851 -11.1506 -11.1506 -11.1479 -11.1479 -11.1394 -11.1394 -11.1373 -11.1373 -11.0905 -11.0905 -11.0899 -11.0899 -11.0832 -11.0832 -11.0780 -11.0780 -6.3266 -6.3266 -6.3260 -6.3260 -6.3259 -6.3259 -6.3257 -6.3257 -1.9432 -1.9432 -1.9428 -1.9428 -1.9426 -1.9426 -1.9425 -1.9425 -1.2001 -1.2001 -1.2000 -1.2000 -1.1999 -1.1999 -1.1996 -1.1996 1.7473 1.7473 1.7475 1.7475 1.7482 1.7482 1.7488 1.7488 5.8543 5.8543 5.8547 5.8547 5.8574 5.8574 5.8581 5.8581 7.0337 7.0339 7.0343 7.0346 k = 0.5000 0.3473 0.3077 ( 11572 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3886 -11.3886 -11.3871 -11.3871 -11.3868 -11.3868 -11.3855 -11.3855 -11.1506 -11.1506 -11.1485 -11.1485 -11.1394 -11.1394 -11.1377 -11.1377 -11.0902 -11.0902 -11.0898 -11.0898 -11.0822 -11.0822 -11.0783 -11.0783 -6.3258 -6.3258 -6.3252 -6.3252 -6.3252 -6.3252 -6.3250 -6.3250 -1.9462 -1.9462 -1.9459 -1.9459 -1.9457 -1.9457 -1.9457 -1.9457 -1.1987 -1.1987 -1.1987 -1.1987 -1.1986 -1.1986 -1.1983 -1.1983 1.7503 1.7503 1.7505 1.7505 1.7510 1.7510 1.7515 1.7515 5.8483 5.8483 5.8486 5.8486 5.8515 5.8515 5.8520 5.8520 7.0261 7.0262 7.0264 7.0266 k = 0.5000 0.3638 0.3077 ( 11576 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3885 -11.3885 -11.3873 -11.3873 -11.3869 -11.3869 -11.3859 -11.3859 -11.1504 -11.1504 -11.1491 -11.1491 -11.1392 -11.1392 -11.1381 -11.1381 -11.0899 -11.0899 -11.0897 -11.0897 -11.0814 -11.0814 -11.0787 -11.0787 -6.3251 -6.3251 -6.3248 -6.3248 -6.3246 -6.3246 -6.3245 -6.3245 -1.9483 -1.9483 -1.9481 -1.9481 -1.9480 -1.9480 -1.9479 -1.9479 -1.1977 -1.1977 -1.1977 -1.1977 -1.1976 -1.1976 -1.1974 -1.1974 1.7525 1.7525 1.7527 1.7527 1.7529 1.7529 1.7534 1.7534 5.8441 5.8441 5.8443 5.8443 5.8474 5.8474 5.8477 5.8477 7.0205 7.0206 7.0207 7.0209 k = 0.5000 0.3804 0.3077 ( 11564 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3882 -11.3882 -11.3876 -11.3876 -11.3867 -11.3867 -11.3862 -11.3862 -11.1502 -11.1502 -11.1495 -11.1495 -11.1390 -11.1390 -11.1385 -11.1385 -11.0897 -11.0897 -11.0896 -11.0896 -11.0805 -11.0805 -11.0792 -11.0792 -6.3247 -6.3247 -6.3245 -6.3245 -6.3242 -6.3242 -6.3242 -6.3242 -1.9496 -1.9496 -1.9494 -1.9494 -1.9494 -1.9494 -1.9493 -1.9493 -1.1971 -1.1971 -1.1971 -1.1971 -1.1970 -1.1970 -1.1969 -1.1969 1.7539 1.7539 1.7541 1.7541 1.7541 1.7541 1.7545 1.7545 5.8416 5.8416 5.8417 5.8417 5.8450 5.8450 5.8452 5.8452 7.0170 7.0171 7.0172 7.0173 k = 0.5000 0.3969 0.3077 ( 11576 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3880 -11.3880 -11.3880 -11.3880 -11.3865 -11.3865 -11.3865 -11.3865 -11.1499 -11.1499 -11.1499 -11.1499 -11.1388 -11.1388 -11.1388 -11.1388 -11.0896 -11.0896 -11.0896 -11.0896 -11.0798 -11.0798 -11.0798 -11.0798 -6.3245 -6.3245 -6.3245 -6.3245 -6.3241 -6.3241 -6.3241 -6.3241 -1.9499 -1.9499 -1.9499 -1.9499 -1.9498 -1.9498 -1.9498 -1.9498 -1.1969 -1.1969 -1.1969 -1.1969 -1.1968 -1.1968 -1.1968 -1.1968 1.7544 1.7544 1.7544 1.7544 1.7547 1.7547 1.7547 1.7547 5.8409 5.8409 5.8409 5.8409 5.8443 5.8443 5.8443 5.8443 7.0159 7.0160 7.0160 7.0160 k = 0.5000 0.3969 0.3077 ( 11576 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3880 -11.3880 -11.3880 -11.3880 -11.3865 -11.3865 -11.3865 -11.3865 -11.1499 -11.1499 -11.1499 -11.1499 -11.1388 -11.1388 -11.1388 -11.1388 -11.0896 -11.0896 -11.0896 -11.0896 -11.0798 -11.0798 -11.0798 -11.0798 -6.3245 -6.3245 -6.3245 -6.3245 -6.3241 -6.3241 -6.3241 -6.3241 -1.9499 -1.9499 -1.9499 -1.9499 -1.9498 -1.9498 -1.9498 -1.9498 -1.1969 -1.1969 -1.1969 -1.1969 -1.1968 -1.1968 -1.1968 -1.1968 1.7544 1.7544 1.7544 1.7544 1.7547 1.7547 1.7547 1.7547 5.8409 5.8409 5.8409 5.8409 5.8443 5.8443 5.8443 5.8443 7.0159 7.0160 7.0160 7.0160 k = 0.4833 0.3969 0.3077 ( 11564 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3880 -11.3880 -11.3880 -11.3880 -11.3864 -11.3864 -11.3864 -11.3864 -11.1499 -11.1499 -11.1499 -11.1499 -11.1387 -11.1387 -11.1387 -11.1387 -11.0897 -11.0897 -11.0897 -11.0897 -11.0798 -11.0798 -11.0798 -11.0798 -6.3340 -6.3340 -6.3340 -6.3340 -6.3150 -6.3150 -6.3150 -6.3150 -1.9533 -1.9533 -1.9533 -1.9533 -1.9455 -1.9455 -1.9455 -1.9455 -1.1970 -1.1970 -1.1970 -1.1970 -1.1962 -1.1962 -1.1962 -1.1962 1.7434 1.7434 1.7434 1.7434 1.7656 1.7656 1.7656 1.7656 5.8132 5.8132 5.8132 5.8132 5.8692 5.8692 5.8692 5.8692 6.9961 6.9961 6.9961 6.9961 k = 0.4667 0.3969 0.3077 ( 11560 PWs) bands (ev): -27.6849 -27.6849 -27.6849 -27.6849 -27.6847 -27.6847 -27.6847 -27.6847 -11.3880 -11.3880 -11.3880 -11.3880 -11.3862 -11.3862 -11.3862 -11.3862 -11.1499 -11.1499 -11.1499 -11.1499 -11.1386 -11.1386 -11.1386 -11.1386 -11.0898 -11.0898 -11.0898 -11.0898 -11.0799 -11.0799 -11.0799 -11.0799 -6.3439 -6.3439 -6.3439 -6.3439 -6.3061 -6.3061 -6.3061 -6.3061 -1.9557 -1.9557 -1.9557 -1.9557 -1.9402 -1.9402 -1.9402 -1.9402 -1.1969 -1.1969 -1.1969 -1.1969 -1.1953 -1.1953 -1.1953 -1.1953 1.7321 1.7321 1.7321 1.7321 1.7764 1.7764 1.7764 1.7764 5.7821 5.7821 5.7821 5.7821 5.8924 5.8924 5.8924 5.8924 6.9808 6.9808 6.9808 6.9808 k = 0.4500 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6849 -27.6849 -27.6849 -27.6849 -27.6847 -27.6847 -27.6847 -27.6847 -11.3881 -11.3881 -11.3881 -11.3881 -11.3860 -11.3860 -11.3860 -11.3860 -11.1498 -11.1498 -11.1498 -11.1498 -11.1383 -11.1383 -11.1383 -11.1383 -11.0900 -11.0900 -11.0900 -11.0900 -11.0799 -11.0799 -11.0799 -11.0799 -6.3541 -6.3541 -6.3541 -6.3541 -6.2976 -6.2976 -6.2976 -6.2976 -1.9570 -1.9570 -1.9570 -1.9570 -1.9343 -1.9343 -1.9343 -1.9343 -1.1966 -1.1966 -1.1966 -1.1966 -1.1938 -1.1938 -1.1938 -1.1938 1.7208 1.7208 1.7208 1.7208 1.7869 1.7869 1.7869 1.7869 5.7497 5.7497 5.7497 5.7497 5.9116 5.9116 5.9116 5.9116 6.9706 6.9706 6.9706 6.9706 k = 0.4333 0.3969 0.3077 ( 11584 PWs) bands (ev): -27.6849 -27.6849 -27.6849 -27.6849 -27.6847 -27.6847 -27.6847 -27.6847 -11.3881 -11.3881 -11.3881 -11.3881 -11.3856 -11.3856 -11.3856 -11.3856 -11.1498 -11.1498 -11.1498 -11.1498 -11.1380 -11.1380 -11.1380 -11.1380 -11.0902 -11.0902 -11.0902 -11.0902 -11.0799 -11.0799 -11.0799 -11.0799 -6.3645 -6.3645 -6.3645 -6.3645 -6.2895 -6.2895 -6.2895 -6.2895 -1.9572 -1.9572 -1.9572 -1.9572 -1.9276 -1.9276 -1.9276 -1.9276 -1.1960 -1.1960 -1.1960 -1.1960 -1.1919 -1.1919 -1.1919 -1.1919 1.7096 1.7096 1.7096 1.7096 1.7970 1.7970 1.7970 1.7970 5.7169 5.7169 5.7169 5.7169 5.9263 5.9263 5.9263 5.9263 6.9661 6.9661 6.9661 6.9661 k = 0.4167 0.3969 0.3077 ( 11576 PWs) bands (ev): -27.6850 -27.6850 -27.6850 -27.6850 -27.6846 -27.6846 -27.6846 -27.6846 -11.3881 -11.3881 -11.3881 -11.3881 -11.3853 -11.3853 -11.3853 -11.3853 -11.1497 -11.1497 -11.1497 -11.1497 -11.1375 -11.1375 -11.1375 -11.1375 -11.0905 -11.0905 -11.0905 -11.0905 -11.0800 -11.0800 -11.0800 -11.0800 -6.3751 -6.3751 -6.3751 -6.3751 -6.2819 -6.2819 -6.2819 -6.2819 -1.9564 -1.9564 -1.9564 -1.9564 -1.9204 -1.9204 -1.9204 -1.9204 -1.1952 -1.1952 -1.1952 -1.1952 -1.1893 -1.1893 -1.1893 -1.1893 1.6983 1.6983 1.6983 1.6983 1.8066 1.8066 1.8066 1.8066 5.6843 5.6843 5.6843 5.6843 5.9365 5.9365 5.9365 5.9365 6.9670 6.9670 6.9670 6.9670 k = 0.4000 0.3969 0.3077 ( 11584 PWs) bands (ev): -27.6850 -27.6850 -27.6850 -27.6850 -27.6846 -27.6846 -27.6846 -27.6846 -11.3881 -11.3881 -11.3881 -11.3881 -11.3849 -11.3849 -11.3849 -11.3849 -11.1495 -11.1495 -11.1495 -11.1495 -11.1370 -11.1370 -11.1370 -11.1370 -11.0909 -11.0909 -11.0909 -11.0909 -11.0800 -11.0800 -11.0800 -11.0800 -6.3858 -6.3858 -6.3858 -6.3858 -6.2747 -6.2747 -6.2747 -6.2747 -1.9544 -1.9544 -1.9544 -1.9544 -1.9128 -1.9128 -1.9128 -1.9128 -1.1943 -1.1943 -1.1943 -1.1943 -1.1862 -1.1862 -1.1862 -1.1862 1.6872 1.6872 1.6872 1.6872 1.8156 1.8156 1.8156 1.8156 5.6525 5.6525 5.6525 5.6525 5.9420 5.9420 5.9420 5.9420 6.9729 6.9729 6.9729 6.9729 k = 0.3833 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6851 -27.6851 -27.6851 -27.6851 -27.6846 -27.6846 -27.6846 -27.6846 -11.3880 -11.3880 -11.3880 -11.3880 -11.3844 -11.3844 -11.3844 -11.3844 -11.1493 -11.1493 -11.1493 -11.1493 -11.1364 -11.1364 -11.1364 -11.1364 -11.0913 -11.0913 -11.0913 -11.0913 -11.0801 -11.0801 -11.0801 -11.0801 -6.3966 -6.3966 -6.3966 -6.3966 -6.2680 -6.2680 -6.2680 -6.2680 -1.9513 -1.9513 -1.9513 -1.9513 -1.9049 -1.9049 -1.9049 -1.9049 -1.1931 -1.1931 -1.1931 -1.1931 -1.1822 -1.1822 -1.1822 -1.1822 1.6761 1.6761 1.6761 1.6761 1.8239 1.8239 1.8239 1.8239 5.6221 5.6221 5.6221 5.6221 5.9432 5.9432 5.9432 5.9432 6.9828 6.9828 6.9828 6.9828 k = 0.3667 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6851 -27.6851 -27.6851 -27.6851 -27.6846 -27.6846 -27.6846 -27.6846 -11.3879 -11.3879 -11.3879 -11.3879 -11.3839 -11.3839 -11.3839 -11.3839 -11.1491 -11.1491 -11.1491 -11.1491 -11.1358 -11.1358 -11.1358 -11.1358 -11.0917 -11.0917 -11.0917 -11.0917 -11.0802 -11.0802 -11.0802 -11.0802 -6.4075 -6.4075 -6.4075 -6.4075 -6.2618 -6.2618 -6.2618 -6.2618 -1.9471 -1.9471 -1.9471 -1.9471 -1.8969 -1.8969 -1.8969 -1.8969 -1.1918 -1.1918 -1.1918 -1.1918 -1.1776 -1.1776 -1.1776 -1.1776 1.6651 1.6651 1.6651 1.6651 1.8314 1.8314 1.8314 1.8314 5.5935 5.5935 5.5935 5.5935 5.9408 5.9408 5.9408 5.9408 6.9952 6.9952 6.9952 6.9952 k = 0.3500 0.3969 0.3077 ( 11568 PWs) bands (ev): -27.6851 -27.6851 -27.6851 -27.6851 -27.6845 -27.6845 -27.6845 -27.6845 -11.3878 -11.3878 -11.3878 -11.3878 -11.3834 -11.3834 -11.3834 -11.3834 -11.1488 -11.1488 -11.1488 -11.1488 -11.1351 -11.1351 -11.1351 -11.1351 -11.0922 -11.0922 -11.0922 -11.0922 -11.0804 -11.0804 -11.0804 -11.0804 -6.4183 -6.4183 -6.4183 -6.4183 -6.2560 -6.2560 -6.2560 -6.2560 -1.9419 -1.9419 -1.9419 -1.9419 -1.8889 -1.8889 -1.8889 -1.8889 -1.1903 -1.1903 -1.1903 -1.1903 -1.1721 -1.1721 -1.1721 -1.1721 1.6543 1.6543 1.6543 1.6543 1.8380 1.8380 1.8380 1.8380 5.5672 5.5672 5.5672 5.5672 5.9353 5.9353 5.9353 5.9353 7.0080 7.0080 7.0080 7.0080 k = 0.3333 0.3969 0.3077 ( 11560 PWs) bands (ev): -27.6852 -27.6852 -27.6852 -27.6852 -27.6845 -27.6845 -27.6845 -27.6845 -11.3877 -11.3877 -11.3877 -11.3877 -11.3829 -11.3829 -11.3829 -11.3829 -11.1485 -11.1485 -11.1485 -11.1485 -11.1344 -11.1344 -11.1344 -11.1344 -11.0927 -11.0927 -11.0927 -11.0927 -11.0805 -11.0805 -11.0805 -11.0805 -6.4290 -6.4290 -6.4290 -6.4290 -6.2508 -6.2508 -6.2508 -6.2508 -1.9358 -1.9358 -1.9358 -1.9358 -1.8810 -1.8810 -1.8810 -1.8810 -1.1887 -1.1887 -1.1887 -1.1887 -1.1657 -1.1657 -1.1657 -1.1657 1.6435 1.6435 1.6435 1.6435 1.8435 1.8435 1.8435 1.8435 5.5437 5.5437 5.5437 5.5437 5.9274 5.9274 5.9274 5.9274 7.0189 7.0189 7.0189 7.0189 k = 0.3167 0.3969 0.3077 ( 11576 PWs) bands (ev): -27.6852 -27.6852 -27.6852 -27.6852 -27.6845 -27.6845 -27.6845 -27.6845 -11.3875 -11.3875 -11.3875 -11.3875 -11.3824 -11.3824 -11.3824 -11.3824 -11.1481 -11.1481 -11.1481 -11.1481 -11.1336 -11.1336 -11.1336 -11.1336 -11.0932 -11.0932 -11.0932 -11.0932 -11.0807 -11.0807 -11.0807 -11.0807 -6.4396 -6.4396 -6.4396 -6.4396 -6.2460 -6.2460 -6.2460 -6.2460 -1.9289 -1.9289 -1.9289 -1.9289 -1.8733 -1.8733 -1.8733 -1.8733 -1.1869 -1.1869 -1.1869 -1.1869 -1.1586 -1.1586 -1.1586 -1.1586 1.6329 1.6329 1.6329 1.6329 1.8479 1.8479 1.8479 1.8479 5.5232 5.5232 5.5232 5.5232 5.9178 5.9178 5.9178 5.9178 7.0255 7.0255 7.0255 7.0255 k = 0.3000 0.3969 0.3077 ( 11552 PWs) bands (ev): -27.6852 -27.6852 -27.6852 -27.6852 -27.6845 -27.6845 -27.6845 -27.6845 -11.3873 -11.3873 -11.3873 -11.3873 -11.3819 -11.3819 -11.3819 -11.3819 -11.1477 -11.1477 -11.1477 -11.1477 -11.1328 -11.1328 -11.1328 -11.1328 -11.0938 -11.0938 -11.0938 -11.0938 -11.0810 -11.0810 -11.0810 -11.0810 -6.4500 -6.4500 -6.4500 -6.4500 -6.2416 -6.2416 -6.2416 -6.2416 -1.9212 -1.9212 -1.9212 -1.9212 -1.8660 -1.8660 -1.8660 -1.8660 -1.1849 -1.1849 -1.1849 -1.1849 -1.1505 -1.1505 -1.1505 -1.1505 1.6224 1.6224 1.6224 1.6224 1.8512 1.8512 1.8512 1.8512 5.5061 5.5061 5.5061 5.5061 5.9072 5.9072 5.9072 5.9072 7.0257 7.0257 7.0257 7.0257 k = 0.2833 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6853 -27.6853 -27.6853 -27.6853 -27.6845 -27.6845 -27.6845 -27.6845 -11.3870 -11.3870 -11.3870 -11.3870 -11.3814 -11.3814 -11.3814 -11.3814 -11.1472 -11.1472 -11.1472 -11.1472 -11.1320 -11.1320 -11.1320 -11.1320 -11.0943 -11.0943 -11.0943 -11.0943 -11.0812 -11.0812 -11.0812 -11.0812 -6.4602 -6.4602 -6.4602 -6.4602 -6.2377 -6.2377 -6.2377 -6.2377 -1.9129 -1.9129 -1.9129 -1.9129 -1.8591 -1.8591 -1.8591 -1.8591 -1.1828 -1.1828 -1.1828 -1.1828 -1.1417 -1.1417 -1.1417 -1.1417 1.6121 1.6121 1.6121 1.6121 1.8533 1.8533 1.8533 1.8533 5.4927 5.4927 5.4927 5.4927 5.8960 5.8960 5.8960 5.8960 7.0181 7.0181 7.0181 7.0181 k = 0.2667 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6853 -27.6853 -27.6853 -27.6853 -27.6845 -27.6845 -27.6845 -27.6845 -11.3868 -11.3868 -11.3868 -11.3868 -11.3809 -11.3809 -11.3809 -11.3809 -11.1466 -11.1466 -11.1466 -11.1466 -11.1313 -11.1313 -11.1313 -11.1313 -11.0949 -11.0949 -11.0949 -11.0949 -11.0816 -11.0816 -11.0816 -11.0816 -6.4702 -6.4702 -6.4702 -6.4702 -6.2342 -6.2342 -6.2342 -6.2342 -1.9041 -1.9041 -1.9041 -1.9041 -1.8527 -1.8527 -1.8527 -1.8527 -1.1804 -1.1804 -1.1804 -1.1804 -1.1321 -1.1321 -1.1321 -1.1321 1.6019 1.6019 1.6019 1.6019 1.8541 1.8541 1.8541 1.8541 5.4832 5.4832 5.4832 5.4832 5.8847 5.8847 5.8847 5.8847 7.0029 7.0029 7.0029 7.0029 k = 0.2500 0.3969 0.3077 ( 11564 PWs) bands (ev): -27.6854 -27.6854 -27.6854 -27.6854 -27.6844 -27.6844 -27.6844 -27.6844 -11.3865 -11.3865 -11.3865 -11.3865 -11.3804 -11.3804 -11.3804 -11.3804 -11.1460 -11.1460 -11.1460 -11.1460 -11.1305 -11.1305 -11.1305 -11.1305 -11.0954 -11.0954 -11.0954 -11.0954 -11.0819 -11.0819 -11.0819 -11.0819 -6.4797 -6.4797 -6.4797 -6.4797 -6.2312 -6.2312 -6.2312 -6.2312 -1.8949 -1.8949 -1.8949 -1.8949 -1.8468 -1.8468 -1.8468 -1.8468 -1.1779 -1.1779 -1.1779 -1.1779 -1.1219 -1.1219 -1.1219 -1.1219 1.5920 1.5920 1.5920 1.5920 1.8538 1.8538 1.8538 1.8538 5.4777 5.4777 5.4777 5.4777 5.8736 5.8736 5.8736 5.8736 6.9811 6.9811 6.9811 6.9811 k = 0.2333 0.3969 0.3077 ( 11560 PWs) bands (ev): -27.6854 -27.6854 -27.6854 -27.6854 -27.6844 -27.6844 -27.6844 -27.6844 -11.3863 -11.3863 -11.3863 -11.3863 -11.3799 -11.3799 -11.3799 -11.3799 -11.1453 -11.1453 -11.1453 -11.1453 -11.1298 -11.1298 -11.1298 -11.1298 -11.0959 -11.0959 -11.0959 -11.0959 -11.0823 -11.0823 -11.0823 -11.0823 -6.4889 -6.4889 -6.4889 -6.4889 -6.2284 -6.2284 -6.2284 -6.2284 -1.8855 -1.8855 -1.8855 -1.8855 -1.8415 -1.8415 -1.8415 -1.8415 -1.1752 -1.1752 -1.1752 -1.1752 -1.1111 -1.1111 -1.1111 -1.1111 1.5822 1.5822 1.5822 1.5822 1.8522 1.8522 1.8522 1.8522 5.4764 5.4764 5.4764 5.4764 5.8629 5.8629 5.8629 5.8629 6.9546 6.9546 6.9546 6.9546 k = 0.2167 0.3969 0.3077 ( 11560 PWs) bands (ev): -27.6854 -27.6854 -27.6854 -27.6854 -27.6844 -27.6844 -27.6844 -27.6844 -11.3860 -11.3860 -11.3860 -11.3860 -11.3795 -11.3795 -11.3795 -11.3795 -11.1446 -11.1446 -11.1446 -11.1446 -11.1292 -11.1292 -11.1292 -11.1292 -11.0963 -11.0963 -11.0963 -11.0963 -11.0827 -11.0827 -11.0827 -11.0827 -6.4977 -6.4977 -6.4977 -6.4977 -6.2261 -6.2261 -6.2261 -6.2261 -1.8760 -1.8760 -1.8760 -1.8760 -1.8368 -1.8368 -1.8368 -1.8368 -1.1723 -1.1723 -1.1723 -1.1723 -1.1000 -1.1000 -1.1000 -1.1000 1.5728 1.5728 1.5728 1.5728 1.8496 1.8496 1.8496 1.8496 5.4793 5.4793 5.4793 5.4793 5.8528 5.8528 5.8528 5.8528 6.9252 6.9252 6.9252 6.9252 k = 0.2000 0.3969 0.3077 ( 11576 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6844 -27.6844 -27.6844 -27.6844 -11.3857 -11.3857 -11.3857 -11.3857 -11.3790 -11.3790 -11.3790 -11.3790 -11.1438 -11.1438 -11.1438 -11.1438 -11.1286 -11.1286 -11.1286 -11.1286 -11.0967 -11.0967 -11.0967 -11.0967 -11.0832 -11.0832 -11.0832 -11.0832 -6.5060 -6.5060 -6.5060 -6.5060 -6.2241 -6.2241 -6.2241 -6.2241 -1.8666 -1.8666 -1.8666 -1.8666 -1.8327 -1.8327 -1.8327 -1.8327 -1.1694 -1.1694 -1.1694 -1.1694 -1.0886 -1.0886 -1.0886 -1.0886 1.5636 1.5636 1.5636 1.5636 1.8461 1.8461 1.8461 1.8461 5.4863 5.4863 5.4863 5.4863 5.8433 5.8433 5.8433 5.8433 6.8946 6.8946 6.8946 6.8946 k = 0.1833 0.3969 0.3077 ( 11592 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6844 -27.6844 -27.6844 -27.6844 -11.3854 -11.3854 -11.3854 -11.3854 -11.3787 -11.3787 -11.3787 -11.3787 -11.1430 -11.1430 -11.1430 -11.1430 -11.1281 -11.1281 -11.1281 -11.1281 -11.0971 -11.0971 -11.0971 -11.0971 -11.0837 -11.0837 -11.0837 -11.0837 -6.5138 -6.5138 -6.5138 -6.5138 -6.2223 -6.2223 -6.2223 -6.2223 -1.8574 -1.8574 -1.8574 -1.8574 -1.8291 -1.8291 -1.8291 -1.8291 -1.1663 -1.1663 -1.1663 -1.1663 -1.0771 -1.0771 -1.0771 -1.0771 1.5549 1.5549 1.5549 1.5549 1.8417 1.8417 1.8417 1.8417 5.4973 5.4973 5.4973 5.4973 5.8346 5.8346 5.8346 5.8346 6.8643 6.8643 6.8644 6.8644 k = 0.1667 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6844 -27.6844 -27.6844 -27.6844 -11.3852 -11.3852 -11.3852 -11.3852 -11.3783 -11.3783 -11.3783 -11.3783 -11.1422 -11.1422 -11.1422 -11.1422 -11.1276 -11.1276 -11.1276 -11.1276 -11.0973 -11.0973 -11.0973 -11.0973 -11.0842 -11.0842 -11.0842 -11.0842 -6.5211 -6.5211 -6.5211 -6.5211 -6.2209 -6.2209 -6.2209 -6.2209 -1.8484 -1.8484 -1.8484 -1.8484 -1.8260 -1.8260 -1.8260 -1.8260 -1.1631 -1.1631 -1.1631 -1.1631 -1.0657 -1.0657 -1.0657 -1.0657 1.5466 1.5466 1.5466 1.5466 1.8367 1.8367 1.8367 1.8367 5.5122 5.5122 5.5122 5.5122 5.8265 5.8265 5.8265 5.8265 6.8355 6.8355 6.8355 6.8355 k = 0.1500 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6844 -27.6844 -27.6844 -27.6844 -11.3849 -11.3849 -11.3849 -11.3849 -11.3779 -11.3779 -11.3779 -11.3779 -11.1413 -11.1413 -11.1413 -11.1413 -11.1273 -11.1273 -11.1273 -11.1273 -11.0975 -11.0975 -11.0975 -11.0975 -11.0848 -11.0848 -11.0848 -11.0848 -6.5277 -6.5277 -6.5277 -6.5277 -6.2196 -6.2196 -6.2196 -6.2196 -1.8400 -1.8400 -1.8400 -1.8400 -1.8234 -1.8234 -1.8234 -1.8234 -1.1599 -1.1599 -1.1599 -1.1599 -1.0547 -1.0547 -1.0547 -1.0547 1.5387 1.5387 1.5387 1.5387 1.8312 1.8312 1.8312 1.8312 5.5306 5.5306 5.5306 5.5306 5.8192 5.8192 5.8192 5.8192 6.8031 6.8031 6.8031 6.8031 k = 0.1333 0.3969 0.3077 ( 11588 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6844 -27.6844 -27.6844 -27.6844 -11.3847 -11.3847 -11.3847 -11.3847 -11.3776 -11.3776 -11.3776 -11.3776 -11.1404 -11.1404 -11.1404 -11.1404 -11.1271 -11.1271 -11.1271 -11.1271 -11.0976 -11.0976 -11.0976 -11.0976 -11.0853 -11.0853 -11.0853 -11.0853 -6.5338 -6.5338 -6.5338 -6.5338 -6.2186 -6.2186 -6.2186 -6.2186 -1.8321 -1.8321 -1.8321 -1.8321 -1.8212 -1.8212 -1.8212 -1.8212 -1.1568 -1.1568 -1.1568 -1.1568 -1.0441 -1.0441 -1.0441 -1.0441 1.5315 1.5315 1.5315 1.5315 1.8256 1.8256 1.8256 1.8256 5.5521 5.5521 5.5521 5.5521 5.8125 5.8125 5.8125 5.8125 6.7374 6.7374 6.7374 6.7374 k = 0.1167 0.3969 0.3077 ( 11580 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6844 -27.6844 -27.6844 -27.6844 -11.3845 -11.3845 -11.3845 -11.3845 -11.3773 -11.3773 -11.3773 -11.3773 -11.1395 -11.1395 -11.1395 -11.1395 -11.1270 -11.1270 -11.1270 -11.1270 -11.0976 -11.0976 -11.0976 -11.0976 -11.0859 -11.0859 -11.0859 -11.0859 -6.5392 -6.5392 -6.5392 -6.5392 -6.2178 -6.2178 -6.2178 -6.2178 -1.8250 -1.8250 -1.8250 -1.8250 -1.8194 -1.8194 -1.8194 -1.8194 -1.1538 -1.1538 -1.1538 -1.1538 -1.0343 -1.0343 -1.0343 -1.0343 1.5248 1.5248 1.5248 1.5248 1.8199 1.8199 1.8199 1.8199 5.5761 5.5761 5.5761 5.5761 5.8065 5.8065 5.8065 5.8065 6.6737 6.6737 6.6737 6.6737 k = 0.1000 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6844 -27.6844 -27.6844 -27.6844 -11.3843 -11.3843 -11.3843 -11.3843 -11.3771 -11.3771 -11.3771 -11.3771 -11.1387 -11.1387 -11.1387 -11.1387 -11.1271 -11.1271 -11.1271 -11.1271 -11.0975 -11.0975 -11.0975 -11.0975 -11.0865 -11.0865 -11.0865 -11.0865 -6.5440 -6.5440 -6.5440 -6.5440 -6.2171 -6.2171 -6.2171 -6.2171 -1.8189 -1.8189 -1.8189 -1.8189 -1.8176 -1.8176 -1.8176 -1.8176 -1.1510 -1.1510 -1.1510 -1.1510 -1.0253 -1.0253 -1.0253 -1.0253 1.5189 1.5189 1.5189 1.5189 1.8144 1.8144 1.8144 1.8144 5.6018 5.6018 5.6018 5.6018 5.8012 5.8012 5.8012 5.8012 6.6131 6.6131 6.6131 6.6131 k = 0.0833 0.3969 0.3077 ( 11568 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6844 -27.6844 -27.6844 -27.6844 -11.3841 -11.3841 -11.3841 -11.3841 -11.3769 -11.3769 -11.3769 -11.3769 -11.1378 -11.1378 -11.1378 -11.1378 -11.1272 -11.1272 -11.1272 -11.1272 -11.0973 -11.0973 -11.0973 -11.0973 -11.0870 -11.0870 -11.0870 -11.0870 -6.5480 -6.5480 -6.5480 -6.5480 -6.2165 -6.2165 -6.2165 -6.2165 -1.8170 -1.8170 -1.8170 -1.8170 -1.8128 -1.8128 -1.8128 -1.8128 -1.1485 -1.1485 -1.1485 -1.1485 -1.0174 -1.0174 -1.0174 -1.0174 1.5138 1.5138 1.5138 1.5138 1.8093 1.8093 1.8093 1.8093 5.6281 5.6281 5.6281 5.6281 5.7966 5.7966 5.7966 5.7966 6.5571 6.5571 6.5571 6.5571 k = 0.0667 0.3969 0.3077 ( 11568 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6844 -27.6844 -27.6844 -27.6844 -11.3839 -11.3839 -11.3839 -11.3839 -11.3767 -11.3767 -11.3767 -11.3767 -11.1371 -11.1371 -11.1371 -11.1371 -11.1273 -11.1273 -11.1273 -11.1273 -11.0972 -11.0972 -11.0972 -11.0972 -11.0875 -11.0875 -11.0875 -11.0875 -6.5514 -6.5514 -6.5514 -6.5514 -6.2161 -6.2161 -6.2161 -6.2161 -1.8161 -1.8161 -1.8161 -1.8161 -1.8082 -1.8082 -1.8082 -1.8082 -1.1463 -1.1463 -1.1463 -1.1463 -1.0107 -1.0107 -1.0107 -1.0107 1.5095 1.5095 1.5095 1.5095 1.8049 1.8049 1.8049 1.8049 5.6537 5.6537 5.6537 5.6537 5.7928 5.7928 5.7928 5.7928 6.5069 6.5069 6.5069 6.5069 k = 0.0500 0.3969 0.3077 ( 11572 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6844 -27.6844 -27.6844 -27.6844 -11.3838 -11.3838 -11.3838 -11.3838 -11.3766 -11.3766 -11.3766 -11.3766 -11.1364 -11.1364 -11.1364 -11.1364 -11.1276 -11.1276 -11.1276 -11.1276 -11.0970 -11.0970 -11.0970 -11.0970 -11.0880 -11.0880 -11.0880 -11.0880 -6.5540 -6.5540 -6.5540 -6.5540 -6.2158 -6.2158 -6.2158 -6.2158 -1.8155 -1.8155 -1.8155 -1.8155 -1.8046 -1.8046 -1.8046 -1.8046 -1.1445 -1.1445 -1.1445 -1.1445 -1.0054 -1.0054 -1.0054 -1.0054 1.5061 1.5061 1.5061 1.5061 1.8012 1.8012 1.8012 1.8012 5.6769 5.6769 5.6769 5.6769 5.7897 5.7897 5.7897 5.7897 6.4646 6.4646 6.4646 6.4646 k = 0.0333 0.3969 0.3077 ( 11576 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6844 -27.6844 -27.6844 -27.6844 -11.3837 -11.3837 -11.3837 -11.3837 -11.3765 -11.3765 -11.3765 -11.3765 -11.1359 -11.1359 -11.1359 -11.1359 -11.1278 -11.1278 -11.1278 -11.1278 -11.0968 -11.0968 -11.0968 -11.0968 -11.0883 -11.0883 -11.0883 -11.0883 -6.5559 -6.5559 -6.5559 -6.5559 -6.2156 -6.2156 -6.2156 -6.2156 -1.8150 -1.8150 -1.8150 -1.8150 -1.8019 -1.8019 -1.8019 -1.8019 -1.1432 -1.1432 -1.1432 -1.1432 -1.0015 -1.0015 -1.0015 -1.0015 1.5036 1.5036 1.5036 1.5036 1.7985 1.7985 1.7985 1.7985 5.6957 5.6957 5.6957 5.6957 5.7874 5.7874 5.7874 5.7874 6.4320 6.4320 6.4320 6.4320 k = 0.0167 0.3969 0.3077 ( 11592 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6844 -27.6844 -27.6844 -27.6844 -11.3837 -11.3837 -11.3837 -11.3837 -11.3765 -11.3765 -11.3765 -11.3765 -11.1355 -11.1355 -11.1355 -11.1355 -11.1279 -11.1279 -11.1279 -11.1279 -11.0967 -11.0967 -11.0967 -11.0967 -11.0885 -11.0885 -11.0885 -11.0885 -6.5570 -6.5570 -6.5570 -6.5570 -6.2155 -6.2155 -6.2155 -6.2155 -1.8148 -1.8148 -1.8148 -1.8148 -1.8003 -1.8003 -1.8003 -1.8003 -1.1424 -1.1424 -1.1424 -1.1424 -0.9991 -0.9991 -0.9991 -0.9991 1.5021 1.5021 1.5021 1.5021 1.7968 1.7968 1.7968 1.7968 5.7081 5.7081 5.7081 5.7081 5.7861 5.7861 5.7861 5.7861 6.4114 6.4114 6.4114 6.4114 k = 0.0000 0.3969 0.3077 ( 11608 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6844 -27.6844 -27.6844 -27.6844 -11.3837 -11.3837 -11.3837 -11.3837 -11.3764 -11.3764 -11.3764 -11.3764 -11.1354 -11.1354 -11.1354 -11.1354 -11.1280 -11.1280 -11.1280 -11.1280 -11.0966 -11.0966 -11.0966 -11.0966 -11.0886 -11.0886 -11.0886 -11.0886 -6.5574 -6.5574 -6.5574 -6.5574 -6.2155 -6.2155 -6.2155 -6.2155 -1.8147 -1.8147 -1.8147 -1.8147 -1.7998 -1.7998 -1.7998 -1.7998 -1.1421 -1.1421 -1.1421 -1.1421 -0.9983 -0.9983 -0.9983 -0.9983 1.5016 1.5016 1.5016 1.5016 1.7962 1.7962 1.7962 1.7962 5.7124 5.7124 5.7124 5.7124 5.7856 5.7856 5.7856 5.7856 6.4043 6.4043 6.4043 6.4043 k = 0.0000 0.3969 0.3077 ( 11608 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6844 -27.6844 -27.6844 -27.6844 -11.3837 -11.3837 -11.3837 -11.3837 -11.3764 -11.3764 -11.3764 -11.3764 -11.1354 -11.1354 -11.1354 -11.1354 -11.1280 -11.1280 -11.1280 -11.1280 -11.0966 -11.0966 -11.0966 -11.0966 -11.0886 -11.0886 -11.0886 -11.0886 -6.5574 -6.5574 -6.5574 -6.5574 -6.2155 -6.2155 -6.2155 -6.2155 -1.8147 -1.8147 -1.8147 -1.8147 -1.7998 -1.7998 -1.7998 -1.7998 -1.1421 -1.1421 -1.1421 -1.1421 -0.9983 -0.9983 -0.9983 -0.9983 1.5016 1.5016 1.5016 1.5016 1.7962 1.7962 1.7962 1.7962 5.7124 5.7124 5.7124 5.7124 5.7856 5.7856 5.7856 5.7856 6.4043 6.4043 6.4043 6.4043 k = 0.0000 0.3804 0.3077 ( 11602 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6844 -27.6844 -27.6844 -27.6844 -11.3838 -11.3838 -11.3838 -11.3838 -11.3763 -11.3763 -11.3763 -11.3763 -11.1355 -11.1355 -11.1355 -11.1355 -11.1279 -11.1279 -11.1279 -11.1279 -11.0968 -11.0968 -11.0968 -11.0968 -11.0884 -11.0884 -11.0884 -11.0884 -6.5581 -6.5581 -6.5581 -6.5581 -6.2148 -6.2148 -6.2148 -6.2148 -1.8161 -1.8161 -1.8161 -1.8161 -1.7986 -1.7986 -1.7986 -1.7986 -1.1436 -1.1436 -1.1436 -1.1436 -0.9966 -0.9966 -0.9966 -0.9966 1.4997 1.4997 1.4997 1.4997 1.7995 1.7995 1.7995 1.7995 5.7096 5.7096 5.7096 5.7096 5.7842 5.7842 5.7842 5.7842 6.3959 6.3959 6.3959 6.3959 k = 0.0000 0.3638 0.3077 ( 11588 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6843 -27.6843 -27.6843 -27.6843 -11.3842 -11.3842 -11.3842 -11.3842 -11.3759 -11.3759 -11.3759 -11.3759 -11.1358 -11.1358 -11.1358 -11.1358 -11.1275 -11.1275 -11.1275 -11.1275 -11.0974 -11.0974 -11.0974 -11.0974 -11.0878 -11.0878 -11.0878 -11.0878 -6.5602 -6.5602 -6.5602 -6.5602 -6.2129 -6.2129 -6.2129 -6.2129 -1.8195 -1.8195 -1.8195 -1.8195 -1.7957 -1.7957 -1.7957 -1.7957 -1.1480 -1.1480 -1.1480 -1.1480 -0.9917 -0.9917 -0.9917 -0.9917 1.4943 1.4943 1.4943 1.4943 1.8091 1.8091 1.8091 1.8091 5.7014 5.7014 5.7014 5.7014 5.7798 5.7798 5.7798 5.7798 6.3726 6.3726 6.3726 6.3726 k = 0.0000 0.3473 0.3077 ( 11568 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6842 -27.6842 -27.6842 -27.6842 -11.3848 -11.3848 -11.3848 -11.3848 -11.3753 -11.3753 -11.3753 -11.3753 -11.1363 -11.1363 -11.1363 -11.1363 -11.1270 -11.1270 -11.1270 -11.1270 -11.0981 -11.0981 -11.0981 -11.0981 -11.0869 -11.0869 -11.0869 -11.0869 -6.5636 -6.5636 -6.5636 -6.5636 -6.2099 -6.2099 -6.2099 -6.2099 -1.8238 -1.8238 -1.8238 -1.8238 -1.7922 -1.7922 -1.7922 -1.7922 -1.1546 -1.1546 -1.1546 -1.1546 -0.9841 -0.9841 -0.9841 -0.9841 1.4860 1.4860 1.4860 1.4860 1.8242 1.8242 1.8242 1.8242 5.6880 5.6880 5.6880 5.6880 5.7727 5.7727 5.7727 5.7727 6.3385 6.3385 6.3385 6.3385 k = 0.0000 0.3307 0.3077 ( 11568 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6841 -27.6841 -27.6841 -27.6841 -11.3854 -11.3854 -11.3854 -11.3854 -11.3746 -11.3746 -11.3746 -11.3746 -11.1369 -11.1369 -11.1369 -11.1369 -11.1264 -11.1264 -11.1264 -11.1264 -11.0990 -11.0990 -11.0990 -11.0990 -11.0859 -11.0859 -11.0859 -11.0859 -6.5682 -6.5682 -6.5682 -6.5682 -6.2057 -6.2057 -6.2057 -6.2057 -1.8285 -1.8285 -1.8285 -1.8285 -1.7887 -1.7887 -1.7887 -1.7887 -1.1629 -1.1629 -1.1629 -1.1629 -0.9745 -0.9745 -0.9745 -0.9745 1.4757 1.4757 1.4757 1.4757 1.8438 1.8438 1.8438 1.8438 5.6699 5.6699 5.6699 5.6699 5.7630 5.7630 5.7630 5.7630 6.2977 6.2977 6.2977 6.2977 k = 0.0000 0.3142 0.3077 ( 11556 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6839 -27.6839 -27.6839 -27.6839 -11.3861 -11.3861 -11.3861 -11.3861 -11.3738 -11.3738 -11.3738 -11.3738 -11.1375 -11.1375 -11.1375 -11.1375 -11.1257 -11.1257 -11.1257 -11.1257 -11.1000 -11.1000 -11.1000 -11.1000 -11.0847 -11.0847 -11.0847 -11.0847 -6.5738 -6.5738 -6.5738 -6.5738 -6.2007 -6.2007 -6.2007 -6.2007 -1.8334 -1.8334 -1.8334 -1.8334 -1.7853 -1.7853 -1.7853 -1.7853 -1.1722 -1.1722 -1.1722 -1.1722 -0.9635 -0.9635 -0.9635 -0.9635 1.4642 1.4642 1.4642 1.4642 1.8671 1.8671 1.8671 1.8671 5.6477 5.6477 5.6477 5.6477 5.7509 5.7509 5.7509 5.7509 6.2536 6.2536 6.2536 6.2536 k = 0.0000 0.2977 0.3077 ( 11564 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3869 -11.3869 -11.3869 -11.3869 -11.3729 -11.3729 -11.3729 -11.3729 -11.1382 -11.1382 -11.1382 -11.1382 -11.1249 -11.1249 -11.1249 -11.1249 -11.1010 -11.1010 -11.1010 -11.1010 -11.0835 -11.0835 -11.0835 -11.0835 -6.5803 -6.5803 -6.5803 -6.5803 -6.1949 -6.1949 -6.1949 -6.1949 -1.8384 -1.8384 -1.8384 -1.8384 -1.7821 -1.7821 -1.7821 -1.7821 -1.1821 -1.1821 -1.1821 -1.1821 -0.9517 -0.9517 -0.9517 -0.9517 1.4522 1.4522 1.4522 1.4522 1.8932 1.8932 1.8932 1.8932 5.6220 5.6220 5.6220 5.6220 5.7365 5.7365 5.7365 5.7365 6.2089 6.2089 6.2089 6.2089 k = 0.0000 0.2811 0.3077 ( 11558 PWs) bands (ev): -27.6863 -27.6863 -27.6863 -27.6863 -27.6837 -27.6837 -27.6837 -27.6837 -11.3876 -11.3876 -11.3876 -11.3876 -11.3721 -11.3721 -11.3721 -11.3721 -11.1388 -11.1388 -11.1388 -11.1388 -11.1242 -11.1242 -11.1242 -11.1242 -11.1019 -11.1019 -11.1019 -11.1019 -11.0823 -11.0823 -11.0823 -11.0823 -6.5874 -6.5874 -6.5874 -6.5874 -6.1885 -6.1885 -6.1885 -6.1885 -1.8434 -1.8434 -1.8434 -1.8434 -1.7791 -1.7791 -1.7791 -1.7791 -1.1923 -1.1923 -1.1923 -1.1923 -0.9392 -0.9392 -0.9392 -0.9392 1.4401 1.4401 1.4401 1.4401 1.9214 1.9214 1.9214 1.9214 5.5936 5.5936 5.5936 5.5936 5.7202 5.7202 5.7202 5.7202 6.1651 6.1651 6.1651 6.1651 k = 0.0000 0.2646 0.3077 ( 11544 PWs) bands (ev): -27.6865 -27.6865 -27.6865 -27.6865 -27.6835 -27.6835 -27.6835 -27.6835 -11.3884 -11.3884 -11.3884 -11.3884 -11.3712 -11.3712 -11.3712 -11.3712 -11.1395 -11.1395 -11.1395 -11.1395 -11.1234 -11.1234 -11.1234 -11.1234 -11.1029 -11.1029 -11.1029 -11.1029 -11.0811 -11.0811 -11.0811 -11.0811 -6.5950 -6.5950 -6.5950 -6.5950 -6.1817 -6.1817 -6.1817 -6.1817 -1.8483 -1.8483 -1.8483 -1.8483 -1.7763 -1.7763 -1.7763 -1.7763 -1.2025 -1.2025 -1.2025 -1.2025 -0.9265 -0.9265 -0.9265 -0.9265 1.4282 1.4282 1.4282 1.4282 1.9511 1.9511 1.9511 1.9511 5.5632 5.5632 5.5632 5.5632 5.7021 5.7021 5.7021 5.7021 6.1236 6.1236 6.1236 6.1236 k = 0.0000 0.2481 0.3077 ( 11522 PWs) bands (ev): -27.6866 -27.6866 -27.6866 -27.6866 -27.6834 -27.6834 -27.6834 -27.6834 -11.3891 -11.3891 -11.3891 -11.3891 -11.3704 -11.3704 -11.3704 -11.3704 -11.1402 -11.1402 -11.1402 -11.1402 -11.1226 -11.1226 -11.1226 -11.1226 -11.1038 -11.1038 -11.1038 -11.1038 -11.0799 -11.0799 -11.0799 -11.0799 -6.6030 -6.6030 -6.6030 -6.6030 -6.1747 -6.1747 -6.1747 -6.1747 -1.8532 -1.8532 -1.8532 -1.8532 -1.7738 -1.7738 -1.7738 -1.7738 -1.2126 -1.2126 -1.2126 -1.2126 -0.9137 -0.9137 -0.9137 -0.9137 1.4169 1.4169 1.4169 1.4169 1.9818 1.9818 1.9818 1.9818 5.5314 5.5314 5.5314 5.5314 5.6824 5.6824 5.6824 5.6824 6.0855 6.0855 6.0855 6.0855 k = 0.0000 0.2315 0.3077 ( 11518 PWs) bands (ev): -27.6867 -27.6867 -27.6867 -27.6867 -27.6833 -27.6833 -27.6833 -27.6833 -11.3898 -11.3898 -11.3898 -11.3898 -11.3696 -11.3696 -11.3696 -11.3696 -11.1408 -11.1408 -11.1408 -11.1408 -11.1218 -11.1218 -11.1218 -11.1218 -11.1047 -11.1047 -11.1047 -11.1047 -11.0787 -11.0787 -11.0787 -11.0787 -6.6111 -6.6111 -6.6111 -6.6111 -6.1675 -6.1675 -6.1675 -6.1675 -1.8580 -1.8580 -1.8580 -1.8580 -1.7715 -1.7715 -1.7715 -1.7715 -1.2224 -1.2224 -1.2224 -1.2224 -0.9011 -0.9011 -0.9011 -0.9011 1.4062 1.4062 1.4062 1.4062 2.0131 2.0131 2.0131 2.0131 5.4989 5.4989 5.4989 5.4989 5.6615 5.6615 5.6615 5.6615 6.0512 6.0512 6.0512 6.0512 k = 0.0000 0.2150 0.3077 ( 11520 PWs) bands (ev): -27.6869 -27.6869 -27.6869 -27.6869 -27.6831 -27.6831 -27.6831 -27.6831 -11.3904 -11.3904 -11.3904 -11.3904 -11.3688 -11.3688 -11.3688 -11.3688 -11.1414 -11.1414 -11.1414 -11.1414 -11.1211 -11.1211 -11.1211 -11.1211 -11.1055 -11.1055 -11.1055 -11.1055 -11.0775 -11.0775 -11.0775 -11.0775 -6.6192 -6.6192 -6.6192 -6.6192 -6.1604 -6.1604 -6.1604 -6.1604 -1.8625 -1.8625 -1.8625 -1.8625 -1.7695 -1.7695 -1.7695 -1.7695 -1.2318 -1.2318 -1.2318 -1.2318 -0.8888 -0.8888 -0.8888 -0.8888 1.3963 1.3963 1.3963 1.3963 2.0444 2.0444 2.0444 2.0444 5.4663 5.4663 5.4663 5.4663 5.6395 5.6395 5.6395 5.6395 6.0213 6.0213 6.0213 6.0213 k = 0.0000 0.1984 0.3077 ( 11538 PWs) bands (ev): -27.6870 -27.6870 -27.6870 -27.6870 -27.6830 -27.6830 -27.6830 -27.6830 -11.3911 -11.3911 -11.3911 -11.3911 -11.3681 -11.3681 -11.3681 -11.3681 -11.1420 -11.1420 -11.1420 -11.1420 -11.1204 -11.1204 -11.1204 -11.1204 -11.1063 -11.1063 -11.1063 -11.1063 -11.0764 -11.0764 -11.0764 -11.0764 -6.6272 -6.6272 -6.6272 -6.6272 -6.1534 -6.1534 -6.1534 -6.1534 -1.8669 -1.8669 -1.8669 -1.8669 -1.7677 -1.7677 -1.7677 -1.7677 -1.2407 -1.2407 -1.2407 -1.2407 -0.8768 -0.8768 -0.8768 -0.8768 1.3871 1.3871 1.3871 1.3871 2.0755 2.0755 2.0755 2.0755 5.4342 5.4342 5.4342 5.4342 5.6170 5.6170 5.6170 5.6170 5.9958 5.9958 5.9958 5.9958 k = 0.0000 0.1819 0.3077 ( 11544 PWs) bands (ev): -27.6871 -27.6871 -27.6871 -27.6871 -27.6829 -27.6829 -27.6829 -27.6829 -11.3916 -11.3916 -11.3916 -11.3916 -11.3674 -11.3674 -11.3674 -11.3674 -11.1425 -11.1425 -11.1425 -11.1425 -11.1198 -11.1198 -11.1198 -11.1198 -11.1071 -11.1071 -11.1071 -11.1071 -11.0753 -11.0753 -11.0753 -11.0753 -6.6350 -6.6350 -6.6350 -6.6350 -6.1467 -6.1467 -6.1467 -6.1467 -1.8711 -1.8711 -1.8711 -1.8711 -1.7661 -1.7661 -1.7661 -1.7661 -1.2491 -1.2491 -1.2491 -1.2491 -0.8654 -0.8654 -0.8654 -0.8654 1.3788 1.3788 1.3788 1.3788 2.1059 2.1059 2.1059 2.1059 5.4029 5.4029 5.4029 5.4029 5.5944 5.5944 5.5944 5.5944 5.9747 5.9747 5.9747 5.9747 k = 0.0000 0.1654 0.3077 ( 11542 PWs) bands (ev): -27.6872 -27.6872 -27.6872 -27.6872 -27.6828 -27.6828 -27.6828 -27.6828 -11.3922 -11.3922 -11.3922 -11.3922 -11.3668 -11.3668 -11.3668 -11.3668 -11.1430 -11.1430 -11.1430 -11.1430 -11.1192 -11.1192 -11.1192 -11.1192 -11.1077 -11.1077 -11.1077 -11.1077 -11.0743 -11.0743 -11.0743 -11.0743 -6.6425 -6.6425 -6.6425 -6.6425 -6.1402 -6.1402 -6.1402 -6.1402 -1.8749 -1.8749 -1.8749 -1.8749 -1.7647 -1.7647 -1.7647 -1.7647 -1.2569 -1.2569 -1.2569 -1.2569 -0.8546 -0.8546 -0.8546 -0.8546 1.3713 1.3713 1.3713 1.3713 2.1352 2.1352 2.1352 2.1352 5.3731 5.3731 5.3731 5.3731 5.5721 5.5721 5.5721 5.5721 5.9579 5.9579 5.9579 5.9579 k = 0.0000 0.1488 0.3077 ( 11550 PWs) bands (ev): -27.6873 -27.6873 -27.6873 -27.6873 -27.6827 -27.6827 -27.6827 -27.6827 -11.3927 -11.3927 -11.3927 -11.3927 -11.3662 -11.3662 -11.3662 -11.3662 -11.1435 -11.1435 -11.1435 -11.1435 -11.1186 -11.1186 -11.1186 -11.1186 -11.1084 -11.1084 -11.1084 -11.1084 -11.0734 -11.0734 -11.0734 -11.0734 -6.6495 -6.6495 -6.6495 -6.6495 -6.1342 -6.1342 -6.1342 -6.1342 -1.8785 -1.8785 -1.8785 -1.8785 -1.7635 -1.7635 -1.7635 -1.7635 -1.2641 -1.2641 -1.2641 -1.2641 -0.8446 -0.8446 -0.8446 -0.8446 1.3647 1.3647 1.3647 1.3647 2.1631 2.1631 2.1631 2.1631 5.3450 5.3450 5.3450 5.3450 5.5508 5.5508 5.5508 5.5508 5.9449 5.9449 5.9449 5.9449 k = 0.0000 0.1323 0.3077 ( 11552 PWs) bands (ev): -27.6874 -27.6874 -27.6874 -27.6874 -27.6826 -27.6826 -27.6826 -27.6826 -11.3931 -11.3931 -11.3931 -11.3931 -11.3656 -11.3656 -11.3656 -11.3656 -11.1439 -11.1439 -11.1439 -11.1439 -11.1181 -11.1181 -11.1181 -11.1181 -11.1089 -11.1089 -11.1089 -11.1089 -11.0725 -11.0725 -11.0725 -11.0725 -6.6559 -6.6559 -6.6559 -6.6559 -6.1287 -6.1287 -6.1287 -6.1287 -1.8817 -1.8817 -1.8817 -1.8817 -1.7625 -1.7625 -1.7625 -1.7625 -1.2706 -1.2706 -1.2706 -1.2706 -0.8354 -0.8354 -0.8354 -0.8354 1.3588 1.3588 1.3588 1.3588 2.1891 2.1891 2.1891 2.1891 5.3190 5.3190 5.3190 5.3190 5.5307 5.5307 5.5307 5.5307 5.9354 5.9354 5.9354 5.9354 k = 0.0000 0.1158 0.3077 ( 11552 PWs) bands (ev): -27.6875 -27.6875 -27.6875 -27.6875 -27.6826 -27.6826 -27.6826 -27.6826 -11.3935 -11.3935 -11.3935 -11.3935 -11.3651 -11.3651 -11.3651 -11.3651 -11.1442 -11.1442 -11.1442 -11.1442 -11.1176 -11.1176 -11.1176 -11.1176 -11.1095 -11.1095 -11.1095 -11.1095 -11.0717 -11.0717 -11.0717 -11.0717 -6.6618 -6.6618 -6.6618 -6.6618 -6.1237 -6.1237 -6.1237 -6.1237 -1.8847 -1.8847 -1.8847 -1.8847 -1.7617 -1.7617 -1.7617 -1.7617 -1.2764 -1.2764 -1.2764 -1.2764 -0.8270 -0.8270 -0.8270 -0.8270 1.3537 1.3537 1.3537 1.3537 2.2130 2.2130 2.2130 2.2130 5.2954 5.2954 5.2954 5.2954 5.5123 5.5123 5.5123 5.5123 5.9289 5.9289 5.9289 5.9289 k = 0.0000 0.0992 0.3077 ( 11546 PWs) bands (ev): -27.6875 -27.6875 -27.6875 -27.6875 -27.6825 -27.6825 -27.6825 -27.6825 -11.3938 -11.3938 -11.3938 -11.3938 -11.3647 -11.3647 -11.3647 -11.3647 -11.1445 -11.1445 -11.1445 -11.1445 -11.1172 -11.1172 -11.1172 -11.1172 -11.1099 -11.1099 -11.1099 -11.1099 -11.0710 -11.0710 -11.0710 -11.0710 -6.6670 -6.6670 -6.6670 -6.6670 -6.1193 -6.1193 -6.1193 -6.1193 -1.8872 -1.8872 -1.8872 -1.8872 -1.7610 -1.7610 -1.7610 -1.7610 -1.2815 -1.2815 -1.2815 -1.2815 -0.8197 -0.8197 -0.8197 -0.8197 1.3494 1.3494 1.3494 1.3494 2.2345 2.2345 2.2345 2.2345 5.2745 5.2745 5.2745 5.2745 5.4959 5.4959 5.4959 5.4959 5.9250 5.9250 5.9250 5.9250 k = 0.0000 0.0827 0.3077 ( 11546 PWs) bands (ev): -27.6876 -27.6876 -27.6876 -27.6876 -27.6824 -27.6824 -27.6824 -27.6824 -11.3941 -11.3941 -11.3941 -11.3941 -11.3644 -11.3644 -11.3644 -11.3644 -11.1448 -11.1448 -11.1448 -11.1448 -11.1168 -11.1168 -11.1168 -11.1168 -11.1103 -11.1103 -11.1103 -11.1103 -11.0704 -11.0704 -11.0704 -11.0704 -6.6715 -6.6715 -6.6715 -6.6715 -6.1154 -6.1154 -6.1154 -6.1154 -1.8894 -1.8894 -1.8894 -1.8894 -1.7604 -1.7604 -1.7604 -1.7604 -1.2858 -1.2858 -1.2858 -1.2858 -0.8133 -0.8133 -0.8133 -0.8133 1.3457 1.3457 1.3457 1.3457 2.2532 2.2532 2.2532 2.2532 5.2564 5.2564 5.2564 5.2564 5.4817 5.4817 5.4817 5.4817 5.9232 5.9232 5.9232 5.9232 k = 0.0000 0.0661 0.3077 ( 11550 PWs) bands (ev): -27.6876 -27.6876 -27.6876 -27.6876 -27.6824 -27.6824 -27.6824 -27.6824 -11.3943 -11.3943 -11.3943 -11.3943 -11.3641 -11.3641 -11.3641 -11.3641 -11.1451 -11.1451 -11.1451 -11.1451 -11.1165 -11.1165 -11.1165 -11.1165 -11.1106 -11.1106 -11.1106 -11.1106 -11.0699 -11.0699 -11.0699 -11.0699 -6.6753 -6.6753 -6.6753 -6.6753 -6.1123 -6.1123 -6.1123 -6.1123 -1.8912 -1.8912 -1.8912 -1.8912 -1.7600 -1.7600 -1.7600 -1.7600 -1.2893 -1.2893 -1.2893 -1.2893 -0.8081 -0.8081 -0.8081 -0.8081 1.3428 1.3428 1.3428 1.3428 2.2688 2.2688 2.2688 2.2688 5.2414 5.2414 5.2414 5.2414 5.4700 5.4700 5.4700 5.4700 5.9227 5.9227 5.9227 5.9227 k = 0.0000 0.0496 0.3077 ( 11554 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3945 -11.3945 -11.3945 -11.3945 -11.3638 -11.3638 -11.3638 -11.3638 -11.1452 -11.1452 -11.1452 -11.1452 -11.1163 -11.1163 -11.1163 -11.1163 -11.1108 -11.1108 -11.1108 -11.1108 -11.0695 -11.0695 -11.0695 -11.0695 -6.6782 -6.6782 -6.6782 -6.6782 -6.1098 -6.1098 -6.1098 -6.1098 -1.8926 -1.8926 -1.8926 -1.8926 -1.7596 -1.7596 -1.7596 -1.7596 -1.2921 -1.2921 -1.2921 -1.2921 -0.8040 -0.8040 -0.8040 -0.8040 1.3406 1.3406 1.3406 1.3406 2.2813 2.2813 2.2813 2.2813 5.2296 5.2296 5.2296 5.2296 5.4607 5.4607 5.4607 5.4607 5.9232 5.9232 5.9232 5.9232 k = 0.0000 0.0331 0.3077 ( 11554 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3947 -11.3947 -11.3947 -11.3947 -11.3637 -11.3637 -11.3637 -11.3637 -11.1454 -11.1454 -11.1454 -11.1454 -11.1161 -11.1161 -11.1161 -11.1161 -11.1110 -11.1110 -11.1110 -11.1110 -11.0692 -11.0692 -11.0692 -11.0692 -6.6804 -6.6804 -6.6804 -6.6804 -6.1080 -6.1080 -6.1080 -6.1080 -1.8936 -1.8936 -1.8936 -1.8936 -1.7594 -1.7594 -1.7594 -1.7594 -1.2941 -1.2941 -1.2941 -1.2941 -0.8010 -0.8010 -0.8010 -0.8010 1.3390 1.3390 1.3390 1.3390 2.2903 2.2903 2.2903 2.2903 5.2210 5.2210 5.2210 5.2210 5.4541 5.4541 5.4541 5.4541 5.9240 5.9240 5.9240 5.9240 k = 0.0000 0.0165 0.3077 ( 11540 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3947 -11.3947 -11.3947 -11.3947 -11.3636 -11.3636 -11.3636 -11.3636 -11.1454 -11.1454 -11.1454 -11.1454 -11.1160 -11.1160 -11.1160 -11.1160 -11.1111 -11.1111 -11.1111 -11.1111 -11.0691 -11.0691 -11.0691 -11.0691 -6.6816 -6.6816 -6.6816 -6.6816 -6.1069 -6.1069 -6.1069 -6.1069 -1.8942 -1.8942 -1.8942 -1.8942 -1.7593 -1.7593 -1.7593 -1.7593 -1.2953 -1.2953 -1.2953 -1.2953 -0.7992 -0.7992 -0.7992 -0.7992 1.3380 1.3380 1.3380 1.3380 2.2957 2.2957 2.2957 2.2957 5.2159 5.2159 5.2159 5.2159 5.4501 5.4501 5.4501 5.4501 5.9247 5.9247 5.9247 5.9247 k = 0.0000 0.0000 0.3077 ( 11532 PWs) bands (ev): -27.6877 -27.6877 -27.6877 -27.6877 -27.6823 -27.6823 -27.6823 -27.6823 -11.3947 -11.3947 -11.3947 -11.3947 -11.3635 -11.3635 -11.3635 -11.3635 -11.1455 -11.1455 -11.1455 -11.1455 -11.1160 -11.1160 -11.1160 -11.1160 -11.1112 -11.1112 -11.1112 -11.1112 -11.0690 -11.0690 -11.0690 -11.0690 -6.6821 -6.6821 -6.6821 -6.6821 -6.1065 -6.1065 -6.1065 -6.1065 -1.8944 -1.8944 -1.8944 -1.8944 -1.7592 -1.7592 -1.7592 -1.7592 -1.2957 -1.2957 -1.2957 -1.2957 -0.7986 -0.7986 -0.7986 -0.7986 1.3377 1.3377 1.3377 1.3377 2.2976 2.2976 2.2976 2.2976 5.2142 5.2142 5.2142 5.2142 5.4487 5.4487 5.4487 5.4487 5.9249 5.9249 5.9249 5.9249 k = 0.0000 0.3969-0.0000 ( 11520 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3932 -11.3932 -11.3932 -11.3932 -11.3685 -11.3685 -11.3685 -11.3685 -11.1476 -11.1476 -11.1476 -11.1476 -11.1121 -11.1121 -11.1121 -11.1121 -11.0980 -11.0980 -11.0980 -11.0980 -11.0888 -11.0888 -11.0888 -11.0888 -6.6189 -6.6189 -6.6189 -6.6189 -6.1322 -6.1322 -6.1322 -6.1322 -2.2406 -2.2406 -2.2406 -2.2406 -1.3626 -1.3626 -1.3626 -1.3626 -1.1437 -1.1437 -1.1437 -1.1437 -0.9964 -0.9964 -0.9964 -0.9964 1.3174 1.3174 1.3174 1.3174 2.0518 2.0518 2.0518 2.0518 5.3917 5.3917 5.3917 5.3917 5.6397 5.6397 5.6397 5.6397 6.6495 6.6495 6.6495 6.6495 k = 0.0000 0.3969 0.0171 ( 11526 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6837 -27.6837 -27.6837 -27.6837 -11.3931 -11.3931 -11.3931 -11.3931 -11.3685 -11.3685 -11.3685 -11.3685 -11.1475 -11.1475 -11.1475 -11.1475 -11.1122 -11.1122 -11.1122 -11.1122 -11.0980 -11.0980 -11.0980 -11.0980 -11.0888 -11.0888 -11.0888 -11.0888 -6.6185 -6.6185 -6.6185 -6.6185 -6.1327 -6.1327 -6.1327 -6.1327 -2.2390 -2.2390 -2.2390 -2.2390 -1.3644 -1.3644 -1.3644 -1.3644 -1.1437 -1.1437 -1.1437 -1.1437 -0.9964 -0.9964 -0.9964 -0.9964 1.3183 1.3183 1.3183 1.3183 2.0503 2.0503 2.0503 2.0503 5.3939 5.3939 5.3939 5.3939 5.6402 5.6402 5.6402 5.6402 6.6445 6.6445 6.6445 6.6445 k = 0.0000 0.3969 0.0342 ( 11534 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3930 -11.3930 -11.3930 -11.3930 -11.3686 -11.3686 -11.3686 -11.3686 -11.1474 -11.1474 -11.1474 -11.1474 -11.1124 -11.1124 -11.1124 -11.1124 -11.0980 -11.0980 -11.0980 -11.0980 -11.0887 -11.0887 -11.0887 -11.0887 -6.6174 -6.6174 -6.6174 -6.6174 -6.1344 -6.1344 -6.1344 -6.1344 -2.2340 -2.2340 -2.2340 -2.2340 -1.3696 -1.3696 -1.3696 -1.3696 -1.1437 -1.1437 -1.1437 -1.1437 -0.9965 -0.9965 -0.9965 -0.9965 1.3211 1.3211 1.3211 1.3211 2.0458 2.0458 2.0458 2.0458 5.4006 5.4006 5.4006 5.4006 5.6418 5.6418 5.6418 5.6418 6.6318 6.6318 6.6318 6.6318 k = 0.0000 0.3969 0.0513 ( 11532 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3927 -11.3927 -11.3927 -11.3927 -11.3688 -11.3688 -11.3688 -11.3688 -11.1471 -11.1471 -11.1471 -11.1471 -11.1128 -11.1128 -11.1128 -11.1128 -11.0980 -11.0980 -11.0980 -11.0980 -11.0887 -11.0887 -11.0887 -11.0887 -6.6154 -6.6154 -6.6154 -6.6154 -6.1371 -6.1371 -6.1371 -6.1371 -2.2258 -2.2258 -2.2258 -2.2258 -1.3782 -1.3782 -1.3782 -1.3782 -1.1436 -1.1436 -1.1436 -1.1436 -0.9966 -0.9966 -0.9966 -0.9966 1.3258 1.3258 1.3258 1.3258 2.0384 2.0384 2.0384 2.0384 5.4116 5.4116 5.4116 5.4116 5.6442 5.6442 5.6442 5.6442 6.6154 6.6154 6.6154 6.6154 k = 0.0000 0.3969 0.0684 ( 11548 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3924 -11.3924 -11.3924 -11.3924 -11.3691 -11.3691 -11.3691 -11.3691 -11.1468 -11.1468 -11.1468 -11.1468 -11.1133 -11.1133 -11.1133 -11.1133 -11.0980 -11.0980 -11.0980 -11.0980 -11.0886 -11.0886 -11.0886 -11.0886 -6.6128 -6.6128 -6.6128 -6.6128 -6.1409 -6.1409 -6.1409 -6.1409 -2.2145 -2.2145 -2.2145 -2.2145 -1.3901 -1.3901 -1.3901 -1.3901 -1.1435 -1.1435 -1.1435 -1.1435 -0.9967 -0.9967 -0.9967 -0.9967 1.3322 1.3322 1.3322 1.3322 2.0283 2.0283 2.0283 2.0283 5.4269 5.4269 5.4269 5.4269 5.6476 5.6476 5.6476 5.6476 6.5977 6.5977 6.5977 6.5977 k = 0.0000 0.3969 0.0855 ( 11542 PWs) bands (ev): -27.6862 -27.6862 -27.6862 -27.6862 -27.6838 -27.6838 -27.6838 -27.6838 -11.3920 -11.3920 -11.3920 -11.3920 -11.3694 -11.3694 -11.3694 -11.3694 -11.1463 -11.1463 -11.1463 -11.1463 -11.1140 -11.1140 -11.1140 -11.1140 -11.0980 -11.0980 -11.0980 -11.0980 -11.0886 -11.0886 -11.0886 -11.0886 -6.6095 -6.6095 -6.6095 -6.6095 -6.1455 -6.1455 -6.1455 -6.1455 -2.2000 -2.2000 -2.2000 -2.2000 -1.4053 -1.4053 -1.4053 -1.4053 -1.1434 -1.1434 -1.1434 -1.1434 -0.9968 -0.9968 -0.9968 -0.9968 1.3404 1.3404 1.3404 1.3404 2.0156 2.0156 2.0156 2.0156 5.4461 5.4461 5.4461 5.4461 5.6519 5.6519 5.6519 5.6519 6.5802 6.5802 6.5802 6.5802 k = 0.0000 0.3969 0.1026 ( 11540 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6839 -27.6839 -27.6839 -27.6839 -11.3915 -11.3915 -11.3915 -11.3915 -11.3698 -11.3698 -11.3698 -11.3698 -11.1458 -11.1458 -11.1458 -11.1458 -11.1148 -11.1148 -11.1148 -11.1148 -11.0979 -11.0979 -11.0979 -11.0979 -11.0885 -11.0885 -11.0885 -11.0885 -6.6056 -6.6056 -6.6056 -6.6056 -6.1510 -6.1510 -6.1510 -6.1510 -2.1826 -2.1826 -2.1826 -2.1826 -1.4235 -1.4235 -1.4235 -1.4235 -1.1433 -1.1433 -1.1433 -1.1433 -0.9969 -0.9969 -0.9969 -0.9969 1.3503 1.3503 1.3503 1.3503 2.0005 2.0005 2.0005 2.0005 5.4690 5.4690 5.4690 5.4690 5.6568 5.6568 5.6568 5.6568 6.5632 6.5632 6.5632 6.5632 k = 0.0000 0.3969 0.1197 ( 11532 PWs) bands (ev): -27.6861 -27.6861 -27.6861 -27.6861 -27.6839 -27.6839 -27.6839 -27.6839 -11.3909 -11.3909 -11.3909 -11.3909 -11.3702 -11.3702 -11.3702 -11.3702 -11.1451 -11.1451 -11.1451 -11.1451 -11.1158 -11.1158 -11.1158 -11.1158 -11.0978 -11.0978 -11.0978 -11.0978 -11.0884 -11.0884 -11.0884 -11.0884 -6.6011 -6.6011 -6.6011 -6.6011 -6.1572 -6.1572 -6.1572 -6.1572 -2.1623 -2.1623 -2.1623 -2.1623 -1.4447 -1.4447 -1.4447 -1.4447 -1.1432 -1.1432 -1.1432 -1.1432 -0.9970 -0.9970 -0.9970 -0.9970 1.3617 1.3617 1.3617 1.3617 1.9834 1.9834 1.9834 1.9834 5.4953 5.4953 5.4953 5.4953 5.6624 5.6624 5.6624 5.6624 6.5471 6.5471 6.5471 6.5471 k = 0.0000 0.3969 0.1368 ( 11536 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6839 -27.6839 -27.6839 -27.6839 -11.3902 -11.3902 -11.3902 -11.3902 -11.3708 -11.3708 -11.3708 -11.3708 -11.1444 -11.1444 -11.1444 -11.1444 -11.1168 -11.1168 -11.1168 -11.1168 -11.0977 -11.0977 -11.0977 -11.0977 -11.0884 -11.0884 -11.0884 -11.0884 -6.5963 -6.5963 -6.5963 -6.5963 -6.1639 -6.1639 -6.1639 -6.1639 -2.1393 -2.1393 -2.1393 -2.1393 -1.4686 -1.4686 -1.4686 -1.4686 -1.1430 -1.1430 -1.1430 -1.1430 -0.9972 -0.9972 -0.9972 -0.9972 1.3746 1.3746 1.3746 1.3746 1.9645 1.9645 1.9645 1.9645 5.5245 5.5245 5.5245 5.5245 5.6684 5.6684 5.6684 5.6684 6.5316 6.5316 6.5316 6.5316 k = 0.0000 0.3969 0.1539 ( 11556 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6840 -27.6840 -27.6840 -27.6840 -11.3895 -11.3895 -11.3895 -11.3895 -11.3713 -11.3713 -11.3713 -11.3713 -11.1435 -11.1435 -11.1435 -11.1435 -11.1180 -11.1180 -11.1180 -11.1180 -11.0976 -11.0976 -11.0976 -11.0976 -11.0884 -11.0884 -11.0884 -11.0884 -6.5911 -6.5911 -6.5911 -6.5911 -6.1710 -6.1710 -6.1710 -6.1710 -2.1138 -2.1138 -2.1138 -2.1138 -1.4951 -1.4951 -1.4951 -1.4951 -1.1429 -1.1429 -1.1429 -1.1429 -0.9974 -0.9974 -0.9974 -0.9974 1.3887 1.3887 1.3887 1.3887 1.9442 1.9442 1.9442 1.9442 5.5560 5.5560 5.5560 5.5560 5.6747 5.6747 5.6747 5.6747 6.5166 6.5166 6.5166 6.5166 k = 0.0000 0.3969 0.1710 ( 11568 PWs) bands (ev): -27.6860 -27.6860 -27.6860 -27.6860 -27.6841 -27.6841 -27.6841 -27.6841 -11.3888 -11.3888 -11.3888 -11.3888 -11.3720 -11.3720 -11.3720 -11.3720 -11.1426 -11.1426 -11.1426 -11.1426 -11.1192 -11.1192 -11.1192 -11.1192 -11.0975 -11.0975 -11.0975 -11.0975 -11.0884 -11.0884 -11.0884 -11.0884 -6.5857 -6.5857 -6.5857 -6.5857 -6.1782 -6.1782 -6.1782 -6.1782 -2.0860 -2.0860 -2.0860 -2.0860 -1.5238 -1.5238 -1.5238 -1.5238 -1.1428 -1.1428 -1.1428 -1.1428 -0.9975 -0.9975 -0.9975 -0.9975 1.4038 1.4038 1.4038 1.4038 1.9229 1.9229 1.9229 1.9229 5.5893 5.5893 5.5893 5.5893 5.6810 5.6810 5.6810 5.6810 6.5016 6.5016 6.5016 6.5016 k = 0.0000 0.3969 0.1881 ( 11564 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6841 -27.6841 -27.6841 -27.6841 -11.3880 -11.3880 -11.3880 -11.3880 -11.3726 -11.3726 -11.3726 -11.3726 -11.1417 -11.1417 -11.1417 -11.1417 -11.1205 -11.1205 -11.1205 -11.1205 -11.0974 -11.0974 -11.0974 -11.0974 -11.0884 -11.0884 -11.0884 -11.0884 -6.5804 -6.5804 -6.5804 -6.5804 -6.1854 -6.1854 -6.1854 -6.1854 -2.0561 -2.0561 -2.0561 -2.0561 -1.5547 -1.5547 -1.5547 -1.5547 -1.1426 -1.1426 -1.1426 -1.1426 -0.9977 -0.9977 -0.9977 -0.9977 1.4197 1.4197 1.4197 1.4197 1.9011 1.9011 1.9011 1.9011 5.6234 5.6234 5.6234 5.6234 5.6873 5.6873 5.6873 5.6873 6.4863 6.4863 6.4863 6.4863 k = 0.0000 0.3969 0.2052 ( 11580 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6842 -27.6842 -27.6842 -27.6842 -11.3872 -11.3872 -11.3872 -11.3872 -11.3733 -11.3733 -11.3733 -11.3733 -11.1406 -11.1406 -11.1406 -11.1406 -11.1219 -11.1219 -11.1219 -11.1219 -11.0972 -11.0972 -11.0972 -11.0972 -11.0884 -11.0884 -11.0884 -11.0884 -6.5752 -6.5752 -6.5752 -6.5752 -6.1923 -6.1923 -6.1923 -6.1923 -2.0243 -2.0243 -2.0243 -2.0243 -1.5874 -1.5874 -1.5874 -1.5874 -1.1425 -1.1425 -1.1425 -1.1425 -0.9978 -0.9978 -0.9978 -0.9978 1.4359 1.4359 1.4359 1.4359 1.8793 1.8793 1.8793 1.8793 5.6575 5.6575 5.6575 5.6575 5.6934 5.6934 5.6934 5.6934 6.4708 6.4708 6.4708 6.4708 k = 0.0000 0.3969 0.2222 ( 11582 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6842 -27.6842 -27.6842 -27.6842 -11.3864 -11.3864 -11.3864 -11.3864 -11.3740 -11.3740 -11.3740 -11.3740 -11.1396 -11.1396 -11.1396 -11.1396 -11.1232 -11.1232 -11.1232 -11.1232 -11.0971 -11.0971 -11.0971 -11.0971 -11.0885 -11.0885 -11.0885 -11.0885 -6.5703 -6.5703 -6.5703 -6.5703 -6.1987 -6.1987 -6.1987 -6.1987 -1.9909 -1.9909 -1.9909 -1.9909 -1.6216 -1.6216 -1.6216 -1.6216 -1.1424 -1.1424 -1.1424 -1.1424 -0.9980 -0.9980 -0.9980 -0.9980 1.4520 1.4520 1.4520 1.4520 1.8582 1.8582 1.8582 1.8582 5.6897 5.6897 5.6897 5.6897 5.6996 5.6996 5.6996 5.6996 6.4550 6.4550 6.4550 6.4550 k = 0.0000 0.3969 0.2393 ( 11582 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6843 -27.6843 -27.6843 -27.6843 -11.3856 -11.3856 -11.3856 -11.3856 -11.3747 -11.3747 -11.3747 -11.3747 -11.1385 -11.1385 -11.1385 -11.1385 -11.1245 -11.1245 -11.1245 -11.1245 -11.0969 -11.0969 -11.0969 -11.0969 -11.0885 -11.0885 -11.0885 -11.0885 -6.5660 -6.5660 -6.5660 -6.5660 -6.2044 -6.2044 -6.2044 -6.2044 -1.9560 -1.9560 -1.9560 -1.9560 -1.6572 -1.6572 -1.6572 -1.6572 -1.1423 -1.1423 -1.1423 -1.1423 -0.9981 -0.9981 -0.9981 -0.9981 1.4673 1.4673 1.4673 1.4673 1.8386 1.8386 1.8386 1.8386 5.7028 5.7028 5.7028 5.7028 5.7217 5.7217 5.7217 5.7217 6.4397 6.4397 6.4397 6.4397 k = 0.0000 0.3969 0.2564 ( 11578 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6843 -27.6843 -27.6843 -27.6843 -11.3849 -11.3849 -11.3849 -11.3849 -11.3754 -11.3754 -11.3754 -11.3754 -11.1374 -11.1374 -11.1374 -11.1374 -11.1258 -11.1258 -11.1258 -11.1258 -11.0968 -11.0968 -11.0968 -11.0968 -11.0885 -11.0885 -11.0885 -11.0885 -6.5624 -6.5624 -6.5624 -6.5624 -6.2091 -6.2091 -6.2091 -6.2091 -1.9200 -1.9200 -1.9200 -1.9200 -1.6937 -1.6937 -1.6937 -1.6937 -1.1422 -1.1422 -1.1422 -1.1422 -0.9982 -0.9982 -0.9982 -0.9982 1.4809 1.4809 1.4809 1.4809 1.8215 1.8215 1.8215 1.8215 5.7070 5.7070 5.7070 5.7070 5.7477 5.7477 5.7477 5.7477 6.4258 6.4258 6.4258 6.4258 k = 0.0000 0.3969 0.2735 ( 11582 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6843 -27.6843 -27.6843 -27.6843 -11.3843 -11.3843 -11.3843 -11.3843 -11.3759 -11.3759 -11.3759 -11.3759 -11.1364 -11.1364 -11.1364 -11.1364 -11.1269 -11.1269 -11.1269 -11.1269 -11.0967 -11.0967 -11.0967 -11.0967 -11.0886 -11.0886 -11.0886 -11.0886 -6.5597 -6.5597 -6.5597 -6.5597 -6.2126 -6.2126 -6.2126 -6.2126 -1.8832 -1.8832 -1.8832 -1.8832 -1.7310 -1.7310 -1.7310 -1.7310 -1.1422 -1.1422 -1.1422 -1.1422 -0.9983 -0.9983 -0.9983 -0.9983 1.4919 1.4919 1.4919 1.4919 1.8080 1.8080 1.8080 1.8080 5.7100 5.7100 5.7100 5.7100 5.7681 5.7681 5.7681 5.7681 6.4144 6.4144 6.4144 6.4144 k = 0.0000 0.3969 0.2906 ( 11602 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6844 -27.6844 -27.6844 -27.6844 -11.3838 -11.3838 -11.3838 -11.3838 -11.3763 -11.3763 -11.3763 -11.3763 -11.1357 -11.1357 -11.1357 -11.1357 -11.1277 -11.1277 -11.1277 -11.1277 -11.0967 -11.0967 -11.0967 -11.0967 -11.0886 -11.0886 -11.0886 -11.0886 -6.5580 -6.5580 -6.5580 -6.5580 -6.2148 -6.2148 -6.2148 -6.2148 -1.8459 -1.8459 -1.8459 -1.8459 -1.7685 -1.7685 -1.7685 -1.7685 -1.1421 -1.1421 -1.1421 -1.1421 -0.9983 -0.9983 -0.9983 -0.9983 1.4991 1.4991 1.4991 1.4991 1.7993 1.7993 1.7993 1.7993 5.7118 5.7118 5.7118 5.7118 5.7811 5.7811 5.7811 5.7811 6.4069 6.4069 6.4069 6.4069 k = 0.0000 0.3969 0.3077 ( 11608 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6844 -27.6844 -27.6844 -27.6844 -11.3837 -11.3837 -11.3837 -11.3837 -11.3764 -11.3764 -11.3764 -11.3764 -11.1354 -11.1354 -11.1354 -11.1354 -11.1280 -11.1280 -11.1280 -11.1280 -11.0966 -11.0966 -11.0966 -11.0966 -11.0886 -11.0886 -11.0886 -11.0886 -6.5574 -6.5574 -6.5574 -6.5574 -6.2155 -6.2155 -6.2155 -6.2155 -1.8147 -1.8147 -1.8147 -1.8147 -1.7998 -1.7998 -1.7998 -1.7998 -1.1421 -1.1421 -1.1421 -1.1421 -0.9983 -0.9983 -0.9983 -0.9983 1.5016 1.5016 1.5016 1.5016 1.7962 1.7962 1.7962 1.7962 5.7124 5.7124 5.7124 5.7124 5.7856 5.7856 5.7856 5.7856 6.4043 6.4043 6.4043 6.4043 k = 0.5000-0.0000 0.3077 ( 11560 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3866 -11.3866 -11.3866 -11.3866 -11.3778 -11.3778 -11.3778 -11.3778 -11.1374 -11.1374 -11.1374 -11.1374 -11.1294 -11.1294 -11.1294 -11.1294 -11.1066 -11.1066 -11.1066 -11.1066 -11.0884 -11.0884 -11.0884 -11.0884 -6.3505 -6.3505 -6.3505 -6.3505 -6.3487 -6.3487 -6.3487 -6.3487 -1.8381 -1.8381 -1.8381 -1.8381 -1.8370 -1.8370 -1.8370 -1.8370 -1.2485 -1.2485 -1.2485 -1.2485 -1.2478 -1.2478 -1.2478 -1.2478 1.6480 1.6480 1.6480 1.6480 1.6522 1.6522 1.6522 1.6522 6.2947 6.2947 6.2947 6.2947 6.2956 6.2956 6.2956 6.2956 7.0649 7.0652 7.0654 7.0658 k = 0.5000-0.0000 0.2906 ( 11564 PWs) bands (ev): -27.6849 -27.6849 -27.6849 -27.6849 -27.6847 -27.6847 -27.6847 -27.6847 -11.3867 -11.3867 -11.3867 -11.3867 -11.3777 -11.3777 -11.3777 -11.3777 -11.1375 -11.1375 -11.1375 -11.1375 -11.1293 -11.1293 -11.1293 -11.1293 -11.1066 -11.1066 -11.1066 -11.1066 -11.0884 -11.0884 -11.0884 -11.0884 -6.3590 -6.3590 -6.3590 -6.3590 -6.3401 -6.3401 -6.3401 -6.3401 -1.8661 -1.8661 -1.8661 -1.8661 -1.8099 -1.8099 -1.8099 -1.8099 -1.2527 -1.2527 -1.2527 -1.2527 -1.2425 -1.2425 -1.2425 -1.2425 1.6277 1.6277 1.6277 1.6277 1.6732 1.6732 1.6732 1.6732 6.2414 6.2414 6.2414 6.2414 6.3496 6.3496 6.3496 6.3496 7.0358 7.0358 7.0358 7.0358 k = 0.5000-0.0000 0.2735 ( 11582 PWs) bands (ev): -27.6850 -27.6850 -27.6850 -27.6850 -27.6846 -27.6846 -27.6846 -27.6846 -11.3868 -11.3868 -11.3868 -11.3868 -11.3777 -11.3777 -11.3777 -11.3777 -11.1377 -11.1377 -11.1377 -11.1377 -11.1292 -11.1292 -11.1292 -11.1292 -11.1064 -11.1064 -11.1064 -11.1064 -11.0884 -11.0884 -11.0884 -11.0884 -6.3681 -6.3681 -6.3681 -6.3681 -6.3307 -6.3307 -6.3307 -6.3307 -1.8952 -1.8952 -1.8952 -1.8952 -1.7837 -1.7837 -1.7837 -1.7837 -1.2559 -1.2559 -1.2559 -1.2559 -1.2359 -1.2359 -1.2359 -1.2359 1.6061 1.6061 1.6061 1.6061 1.6965 1.6965 1.6965 1.6965 6.1886 6.1886 6.1886 6.1886 6.4042 6.4042 6.4042 6.4042 7.0040 7.0040 7.0040 7.0040 k = 0.5000-0.0000 0.2564 ( 11562 PWs) bands (ev): -27.6851 -27.6851 -27.6851 -27.6851 -27.6845 -27.6845 -27.6845 -27.6845 -11.3871 -11.3871 -11.3871 -11.3871 -11.3775 -11.3775 -11.3775 -11.3775 -11.1380 -11.1380 -11.1380 -11.1380 -11.1291 -11.1291 -11.1291 -11.1291 -11.1062 -11.1062 -11.1062 -11.1062 -11.0884 -11.0884 -11.0884 -11.0884 -6.3771 -6.3771 -6.3771 -6.3771 -6.3213 -6.3213 -6.3213 -6.3213 -1.9244 -1.9244 -1.9244 -1.9244 -1.7591 -1.7591 -1.7591 -1.7591 -1.2575 -1.2575 -1.2575 -1.2575 -1.2285 -1.2285 -1.2285 -1.2285 1.5854 1.5854 1.5854 1.5854 1.7203 1.7203 1.7203 1.7203 6.1371 6.1371 6.1371 6.1371 6.4587 6.4587 6.4587 6.4587 6.9713 6.9713 6.9713 6.9713 k = 0.5000-0.0000 0.2393 ( 11568 PWs) bands (ev): -27.6852 -27.6852 -27.6852 -27.6852 -27.6844 -27.6844 -27.6844 -27.6844 -11.3873 -11.3873 -11.3873 -11.3873 -11.3773 -11.3773 -11.3773 -11.3773 -11.1384 -11.1384 -11.1384 -11.1384 -11.1289 -11.1289 -11.1289 -11.1289 -11.1058 -11.1058 -11.1058 -11.1058 -11.0883 -11.0883 -11.0883 -11.0883 -6.3857 -6.3857 -6.3857 -6.3857 -6.3121 -6.3121 -6.3121 -6.3121 -1.9535 -1.9535 -1.9535 -1.9535 -1.7365 -1.7365 -1.7365 -1.7365 -1.2573 -1.2573 -1.2573 -1.2573 -1.2207 -1.2207 -1.2207 -1.2207 1.5657 1.5657 1.5657 1.5657 1.7442 1.7442 1.7442 1.7442 6.0871 6.0871 6.0871 6.0871 6.5121 6.5121 6.5121 6.5121 6.9176 6.9176 6.9176 6.9176 k = 0.5000-0.0000 0.2222 ( 11576 PWs) bands (ev): -27.6852 -27.6852 -27.6852 -27.6852 -27.6844 -27.6844 -27.6844 -27.6844 -11.3877 -11.3877 -11.3877 -11.3877 -11.3771 -11.3771 -11.3771 -11.3771 -11.1389 -11.1389 -11.1389 -11.1389 -11.1287 -11.1287 -11.1287 -11.1287 -11.1054 -11.1054 -11.1054 -11.1054 -11.0883 -11.0883 -11.0883 -11.0883 -6.3940 -6.3940 -6.3940 -6.3940 -6.3030 -6.3030 -6.3030 -6.3030 -1.9820 -1.9820 -1.9820 -1.9820 -1.7163 -1.7163 -1.7163 -1.7163 -1.2554 -1.2554 -1.2554 -1.2554 -1.2126 -1.2126 -1.2126 -1.2126 1.5470 1.5470 1.5470 1.5470 1.7680 1.7680 1.7680 1.7680 6.0388 6.0388 6.0388 6.0388 6.5637 6.5637 6.5637 6.5637 6.8407 6.8407 6.8407 6.8407 k = 0.5000-0.0000 0.2052 ( 11580 PWs) bands (ev): -27.6853 -27.6853 -27.6853 -27.6853 -27.6843 -27.6843 -27.6843 -27.6843 -11.3881 -11.3881 -11.3881 -11.3881 -11.3769 -11.3769 -11.3769 -11.3769 -11.1395 -11.1395 -11.1395 -11.1395 -11.1285 -11.1285 -11.1285 -11.1285 -11.1050 -11.1050 -11.1050 -11.1050 -11.0882 -11.0882 -11.0882 -11.0882 -6.4019 -6.4019 -6.4019 -6.4019 -6.2942 -6.2942 -6.2942 -6.2942 -2.0097 -2.0097 -2.0097 -2.0097 -1.6986 -1.6986 -1.6986 -1.6986 -1.2516 -1.2516 -1.2516 -1.2516 -1.2044 -1.2044 -1.2044 -1.2044 1.5294 1.5294 1.5294 1.5294 1.7916 1.7916 1.7916 1.7916 5.9926 5.9926 5.9926 5.9926 6.6116 6.6116 6.6116 6.6116 6.7659 6.7659 6.7659 6.7659 k = 0.5000-0.0000 0.1881 ( 11560 PWs) bands (ev): -27.6854 -27.6854 -27.6854 -27.6854 -27.6842 -27.6842 -27.6842 -27.6842 -11.3885 -11.3885 -11.3885 -11.3885 -11.3766 -11.3766 -11.3766 -11.3766 -11.1400 -11.1400 -11.1400 -11.1400 -11.1284 -11.1284 -11.1284 -11.1284 -11.1044 -11.1044 -11.1044 -11.1044 -11.0882 -11.0882 -11.0882 -11.0882 -6.4094 -6.4094 -6.4094 -6.4094 -6.2858 -6.2858 -6.2858 -6.2858 -2.0362 -2.0362 -2.0362 -2.0362 -1.6835 -1.6835 -1.6835 -1.6835 -1.2460 -1.2460 -1.2460 -1.2460 -1.1962 -1.1962 -1.1962 -1.1962 1.5130 1.5130 1.5130 1.5130 1.8147 1.8147 1.8147 1.8147 5.9485 5.9485 5.9485 5.9485 6.6527 6.6527 6.6527 6.6527 6.6943 6.6943 6.6943 6.6943 k = 0.5000-0.0000 0.1710 ( 11556 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6841 -27.6841 -27.6841 -27.6841 -11.3889 -11.3889 -11.3889 -11.3889 -11.3764 -11.3764 -11.3764 -11.3764 -11.1406 -11.1406 -11.1406 -11.1406 -11.1282 -11.1282 -11.1282 -11.1282 -11.1039 -11.1039 -11.1039 -11.1039 -11.0881 -11.0881 -11.0881 -11.0881 -6.4163 -6.4163 -6.4163 -6.4163 -6.2778 -6.2778 -6.2778 -6.2778 -2.0613 -2.0613 -2.0613 -2.0613 -1.6709 -1.6709 -1.6709 -1.6709 -1.2390 -1.2390 -1.2390 -1.2390 -1.1882 -1.1882 -1.1882 -1.1882 1.4979 1.4979 1.4979 1.4979 1.8371 1.8371 1.8371 1.8371 5.9069 5.9069 5.9069 5.9069 6.6266 6.6266 6.6266 6.6266 6.6813 6.6813 6.6813 6.6813 k = 0.5000-0.0000 0.1539 ( 11540 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6840 -27.6840 -27.6840 -27.6840 -11.3893 -11.3893 -11.3893 -11.3893 -11.3762 -11.3762 -11.3762 -11.3762 -11.1411 -11.1411 -11.1411 -11.1411 -11.1281 -11.1281 -11.1281 -11.1281 -11.1033 -11.1033 -11.1033 -11.1033 -11.0880 -11.0880 -11.0880 -11.0880 -6.4228 -6.4228 -6.4228 -6.4228 -6.2703 -6.2703 -6.2703 -6.2703 -2.0848 -2.0848 -2.0848 -2.0848 -1.6607 -1.6607 -1.6607 -1.6607 -1.2308 -1.2308 -1.2308 -1.2308 -1.1805 -1.1805 -1.1805 -1.1805 1.4840 1.4840 1.4840 1.4840 1.8585 1.8585 1.8585 1.8585 5.8679 5.8679 5.8679 5.8679 6.5637 6.5637 6.5637 6.5637 6.6913 6.6913 6.6913 6.6913 k = 0.5000-0.0000 0.1368 ( 11548 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6840 -27.6840 -27.6840 -27.6840 -11.3897 -11.3897 -11.3897 -11.3897 -11.3759 -11.3759 -11.3759 -11.3759 -11.1416 -11.1416 -11.1416 -11.1416 -11.1279 -11.1279 -11.1279 -11.1279 -11.1028 -11.1028 -11.1028 -11.1028 -11.0880 -11.0880 -11.0880 -11.0880 -6.4286 -6.4286 -6.4286 -6.4286 -6.2634 -6.2634 -6.2634 -6.2634 -2.1064 -2.1064 -2.1064 -2.1064 -1.6527 -1.6527 -1.6527 -1.6527 -1.2219 -1.2219 -1.2219 -1.2219 -1.1733 -1.1733 -1.1733 -1.1733 1.4715 1.4715 1.4715 1.4715 1.8786 1.8786 1.8786 1.8786 5.8319 5.8319 5.8319 5.8319 6.5060 6.5060 6.5060 6.5060 6.6853 6.6853 6.6853 6.6853 k = 0.5000-0.0000 0.1197 ( 11554 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6839 -27.6839 -27.6839 -27.6839 -11.3901 -11.3901 -11.3901 -11.3901 -11.3758 -11.3758 -11.3758 -11.3758 -11.1421 -11.1421 -11.1421 -11.1421 -11.1278 -11.1278 -11.1278 -11.1278 -11.1022 -11.1022 -11.1022 -11.1022 -11.0879 -11.0879 -11.0879 -11.0879 -6.4339 -6.4339 -6.4339 -6.4339 -6.2571 -6.2571 -6.2571 -6.2571 -2.1259 -2.1259 -2.1259 -2.1259 -1.6465 -1.6465 -1.6465 -1.6465 -1.2127 -1.2127 -1.2127 -1.2127 -1.1667 -1.1667 -1.1667 -1.1667 1.4604 1.4604 1.4604 1.4604 1.8972 1.8972 1.8972 1.8972 5.7991 5.7991 5.7991 5.7991 6.4542 6.4542 6.4542 6.4542 6.6715 6.6715 6.6715 6.6715 k = 0.5000-0.0000 0.1026 ( 11568 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6839 -27.6839 -27.6839 -27.6839 -11.3904 -11.3904 -11.3904 -11.3904 -11.3756 -11.3756 -11.3756 -11.3756 -11.1425 -11.1425 -11.1425 -11.1425 -11.1278 -11.1278 -11.1278 -11.1278 -11.1018 -11.1018 -11.1018 -11.1018 -11.0879 -11.0879 -11.0879 -11.0879 -6.4385 -6.4385 -6.4385 -6.4385 -6.2515 -6.2515 -6.2515 -6.2515 -2.1432 -2.1432 -2.1432 -2.1432 -1.6419 -1.6419 -1.6419 -1.6419 -1.2037 -1.2037 -1.2037 -1.2037 -1.1607 -1.1607 -1.1607 -1.1607 1.4507 1.4507 1.4507 1.4507 1.9140 1.9140 1.9140 1.9140 5.7698 5.7698 5.7698 5.7698 6.4086 6.4086 6.4086 6.4086 6.6556 6.6556 6.6556 6.6556 k = 0.5000-0.0000 0.0855 ( 11574 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6839 -27.6839 -27.6839 -27.6839 -11.3907 -11.3907 -11.3907 -11.3907 -11.3755 -11.3755 -11.3755 -11.3755 -11.1429 -11.1429 -11.1429 -11.1429 -11.1277 -11.1277 -11.1277 -11.1277 -11.1013 -11.1013 -11.1013 -11.1013 -11.0879 -11.0879 -11.0879 -11.0879 -6.4424 -6.4424 -6.4424 -6.4424 -6.2467 -6.2467 -6.2467 -6.2467 -2.1581 -2.1581 -2.1581 -2.1581 -1.6386 -1.6386 -1.6386 -1.6386 -1.1953 -1.1953 -1.1953 -1.1953 -1.1555 -1.1555 -1.1555 -1.1555 1.4425 1.4425 1.4425 1.4425 1.9287 1.9287 1.9287 1.9287 5.7444 5.7444 5.7444 5.7444 6.3695 6.3695 6.3695 6.3695 6.6402 6.6402 6.6402 6.6402 k = 0.5000-0.0000 0.0684 ( 11598 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3910 -11.3910 -11.3910 -11.3910 -11.3753 -11.3753 -11.3753 -11.3753 -11.1432 -11.1432 -11.1432 -11.1432 -11.1277 -11.1277 -11.1277 -11.1277 -11.1009 -11.1009 -11.1009 -11.1009 -11.0878 -11.0878 -11.0878 -11.0878 -6.4457 -6.4457 -6.4457 -6.4457 -6.2427 -6.2427 -6.2427 -6.2427 -2.1705 -2.1705 -2.1705 -2.1705 -1.6362 -1.6362 -1.6362 -1.6362 -1.1879 -1.1879 -1.1879 -1.1879 -1.1512 -1.1512 -1.1512 -1.1512 1.4357 1.4357 1.4357 1.4357 1.9411 1.9411 1.9411 1.9411 5.7230 5.7230 5.7230 5.7230 6.3372 6.3372 6.3372 6.3372 6.6266 6.6266 6.6266 6.6266 k = 0.5000-0.0000 0.0513 ( 11598 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3912 -11.3912 -11.3912 -11.3912 -11.3752 -11.3752 -11.3752 -11.3752 -11.1435 -11.1435 -11.1435 -11.1435 -11.1276 -11.1276 -11.1276 -11.1276 -11.1006 -11.1006 -11.1006 -11.1006 -11.0878 -11.0878 -11.0878 -11.0878 -6.4482 -6.4482 -6.4482 -6.4482 -6.2395 -6.2395 -6.2395 -6.2395 -2.1802 -2.1802 -2.1802 -2.1802 -1.6346 -1.6346 -1.6346 -1.6346 -1.1817 -1.1817 -1.1817 -1.1817 -1.1477 -1.1477 -1.1477 -1.1477 1.4304 1.4304 1.4304 1.4304 1.9510 1.9510 1.9510 1.9510 5.7060 5.7060 5.7060 5.7060 6.3119 6.3119 6.3119 6.3119 6.6155 6.6155 6.6155 6.6155 k = 0.5000-0.0000 0.0342 ( 11612 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3913 -11.3913 -11.3913 -11.3913 -11.3752 -11.3752 -11.3752 -11.3752 -11.1437 -11.1437 -11.1437 -11.1437 -11.1276 -11.1276 -11.1276 -11.1276 -11.1004 -11.1004 -11.1004 -11.1004 -11.0878 -11.0878 -11.0878 -11.0878 -6.4501 -6.4501 -6.4501 -6.4501 -6.2372 -6.2372 -6.2372 -6.2372 -2.1872 -2.1872 -2.1872 -2.1872 -1.6335 -1.6335 -1.6335 -1.6335 -1.1772 -1.1772 -1.1772 -1.1772 -1.1452 -1.1452 -1.1452 -1.1452 1.4267 1.4267 1.4267 1.4267 1.9582 1.9582 1.9582 1.9582 5.6937 5.6937 5.6937 5.6937 6.2938 6.2938 6.2938 6.2938 6.6074 6.6074 6.6074 6.6074 k = 0.5000-0.0000 0.0171 ( 11600 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3914 -11.3914 -11.3914 -11.3914 -11.3751 -11.3751 -11.3751 -11.3751 -11.1438 -11.1438 -11.1438 -11.1438 -11.1276 -11.1276 -11.1276 -11.1276 -11.1003 -11.1003 -11.1003 -11.1003 -11.0878 -11.0878 -11.0878 -11.0878 -6.4512 -6.4512 -6.4512 -6.4512 -6.2358 -6.2358 -6.2358 -6.2358 -2.1914 -2.1914 -2.1914 -2.1914 -1.6329 -1.6329 -1.6329 -1.6329 -1.1744 -1.1744 -1.1744 -1.1744 -1.1437 -1.1437 -1.1437 -1.1437 1.4244 1.4244 1.4244 1.4244 1.9626 1.9626 1.9626 1.9626 5.6863 5.6863 5.6863 5.6863 6.2829 6.2829 6.2829 6.2829 6.6025 6.6025 6.6025 6.6025 k = 0.5000-0.0000-0.0000 ( 11610 PWs) bands (ev): -27.6859 -27.6859 -27.6859 -27.6859 -27.6838 -27.6838 -27.6838 -27.6838 -11.3914 -11.3914 -11.3914 -11.3914 -11.3751 -11.3751 -11.3751 -11.3751 -11.1438 -11.1438 -11.1438 -11.1438 -11.1276 -11.1276 -11.1276 -11.1276 -11.1002 -11.1002 -11.1002 -11.1002 -11.0878 -11.0878 -11.0878 -11.0878 -6.4515 -6.4515 -6.4515 -6.4515 -6.2354 -6.2354 -6.2354 -6.2354 -2.1929 -2.1929 -2.1929 -2.1929 -1.6328 -1.6328 -1.6328 -1.6328 -1.1734 -1.1734 -1.1734 -1.1734 -1.1432 -1.1432 -1.1432 -1.1432 1.4236 1.4236 1.4236 1.4236 1.9641 1.9641 1.9641 1.9641 5.6838 5.6838 5.6838 5.6838 6.2793 6.2793 6.2793 6.2793 6.6008 6.6008 6.6008 6.6008 k = 0.5000 0.3969-0.0000 ( 11588 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3909 -11.3909 -11.3909 -11.3909 -11.3856 -11.3856 -11.3856 -11.3856 -11.1506 -11.1506 -11.1506 -11.1506 -11.1371 -11.1371 -11.1371 -11.1371 -11.0971 -11.0971 -11.0971 -11.0971 -11.0712 -11.0712 -11.0712 -11.0712 -6.4125 -6.4125 -6.4125 -6.4125 -6.2246 -6.2246 -6.2246 -6.2246 -2.3207 -2.3207 -2.3207 -2.3207 -1.5738 -1.5738 -1.5738 -1.5738 -1.4010 -1.4010 -1.4010 -1.4010 -0.9540 -0.9540 -0.9540 -0.9540 1.7194 1.7194 1.7194 1.7194 1.7840 1.7840 1.7840 1.7840 5.9507 5.9507 5.9507 5.9507 5.9893 5.9893 5.9893 5.9893 6.3797 6.3797 6.3797 6.3797 k = 0.5000 0.3969 0.0171 ( 11576 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3909 -11.3909 -11.3909 -11.3909 -11.3856 -11.3856 -11.3856 -11.3856 -11.1506 -11.1506 -11.1506 -11.1506 -11.1371 -11.1371 -11.1371 -11.1371 -11.0970 -11.0970 -11.0970 -11.0970 -11.0712 -11.0712 -11.0712 -11.0712 -6.4121 -6.4121 -6.4121 -6.4121 -6.2250 -6.2250 -6.2250 -6.2250 -2.3193 -2.3193 -2.3193 -2.3193 -1.5752 -1.5752 -1.5752 -1.5752 -1.4003 -1.4003 -1.4003 -1.4003 -0.9550 -0.9550 -0.9550 -0.9550 1.7195 1.7195 1.7195 1.7195 1.7840 1.7840 1.7840 1.7840 5.9500 5.9500 5.9500 5.9500 5.9859 5.9859 5.9859 5.9859 6.3828 6.3828 6.3828 6.3828 k = 0.5000 0.3969 0.0342 ( 11580 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3909 -11.3909 -11.3909 -11.3909 -11.3856 -11.3856 -11.3856 -11.3856 -11.1505 -11.1505 -11.1505 -11.1505 -11.1371 -11.1371 -11.1371 -11.1371 -11.0969 -11.0969 -11.0969 -11.0969 -11.0714 -11.0714 -11.0714 -11.0714 -6.4112 -6.4112 -6.4112 -6.4112 -6.2262 -6.2262 -6.2262 -6.2262 -2.3151 -2.3151 -2.3151 -2.3151 -1.5795 -1.5795 -1.5795 -1.5795 -1.3981 -1.3981 -1.3981 -1.3981 -0.9581 -0.9581 -0.9581 -0.9581 1.7199 1.7199 1.7199 1.7199 1.7837 1.7837 1.7837 1.7837 5.9481 5.9481 5.9481 5.9481 5.9766 5.9766 5.9766 5.9766 6.3915 6.3915 6.3915 6.3915 k = 0.5000 0.3969 0.0513 ( 11576 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3908 -11.3908 -11.3908 -11.3908 -11.3856 -11.3856 -11.3856 -11.3856 -11.1505 -11.1505 -11.1505 -11.1505 -11.1371 -11.1371 -11.1371 -11.1371 -11.0967 -11.0967 -11.0967 -11.0967 -11.0716 -11.0716 -11.0716 -11.0716 -6.4096 -6.4096 -6.4096 -6.4096 -6.2282 -6.2282 -6.2282 -6.2282 -2.3082 -2.3082 -2.3082 -2.3082 -1.5866 -1.5866 -1.5866 -1.5866 -1.3945 -1.3945 -1.3945 -1.3945 -0.9632 -0.9632 -0.9632 -0.9632 1.7206 1.7206 1.7206 1.7206 1.7832 1.7832 1.7832 1.7832 5.9448 5.9448 5.9448 5.9448 5.9630 5.9630 5.9630 5.9630 6.4047 6.4047 6.4047 6.4047 k = 0.5000 0.3969 0.0684 ( 11580 PWs) bands (ev): -27.6858 -27.6858 -27.6858 -27.6858 -27.6838 -27.6838 -27.6838 -27.6838 -11.3907 -11.3907 -11.3907 -11.3907 -11.3856 -11.3856 -11.3856 -11.3856 -11.1505 -11.1505 -11.1505 -11.1505 -11.1372 -11.1372 -11.1372 -11.1372 -11.0965 -11.0965 -11.0965 -11.0965 -11.0719 -11.0719 -11.0719 -11.0719 -6.4074 -6.4074 -6.4074 -6.4074 -6.2310 -6.2310 -6.2310 -6.2310 -2.2985 -2.2985 -2.2985 -2.2985 -1.5965 -1.5965 -1.5965 -1.5965 -1.3895 -1.3895 -1.3895 -1.3895 -0.9702 -0.9702 -0.9702 -0.9702 1.7216 1.7216 1.7216 1.7216 1.7826 1.7826 1.7826 1.7826 5.9401 5.9401 5.9401 5.9401 5.9472 5.9472 5.9472 5.9472 6.4215 6.4215 6.4215 6.4215 k = 0.5000 0.3969 0.0855 ( 11576 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6839 -27.6839 -27.6839 -27.6839 -11.3906 -11.3906 -11.3906 -11.3906 -11.3856 -11.3856 -11.3856 -11.3856 -11.1505 -11.1505 -11.1505 -11.1505 -11.1373 -11.1373 -11.1373 -11.1373 -11.0961 -11.0961 -11.0961 -11.0961 -11.0723 -11.0723 -11.0723 -11.0723 -6.4046 -6.4046 -6.4046 -6.4046 -6.2345 -6.2345 -6.2345 -6.2345 -2.2862 -2.2862 -2.2862 -2.2862 -1.6091 -1.6091 -1.6091 -1.6091 -1.3830 -1.3830 -1.3830 -1.3830 -0.9791 -0.9791 -0.9791 -0.9791 1.7228 1.7228 1.7228 1.7228 1.7817 1.7817 1.7817 1.7817 5.9286 5.9286 5.9286 5.9286 5.9362 5.9362 5.9362 5.9362 6.4414 6.4414 6.4414 6.4414 k = 0.5000 0.3969 0.1026 ( 11584 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6839 -27.6839 -27.6839 -27.6839 -11.3904 -11.3904 -11.3904 -11.3904 -11.3856 -11.3856 -11.3856 -11.3856 -11.1505 -11.1505 -11.1505 -11.1505 -11.1374 -11.1374 -11.1374 -11.1374 -11.0957 -11.0957 -11.0957 -11.0957 -11.0728 -11.0728 -11.0728 -11.0728 -6.4012 -6.4012 -6.4012 -6.4012 -6.2387 -6.2387 -6.2387 -6.2387 -2.2714 -2.2714 -2.2714 -2.2714 -1.6243 -1.6243 -1.6243 -1.6243 -1.3752 -1.3752 -1.3752 -1.3752 -0.9897 -0.9897 -0.9897 -0.9897 1.7243 1.7243 1.7243 1.7243 1.7807 1.7807 1.7807 1.7807 5.9121 5.9121 5.9121 5.9121 5.9295 5.9295 5.9295 5.9295 6.4646 6.4646 6.4646 6.4646 k = 0.5000 0.3969 0.1197 ( 11596 PWs) bands (ev): -27.6857 -27.6857 -27.6857 -27.6857 -27.6840 -27.6840 -27.6840 -27.6840 -11.3903 -11.3903 -11.3903 -11.3903 -11.3856 -11.3856 -11.3856 -11.3856 -11.1504 -11.1504 -11.1504 -11.1504 -11.1376 -11.1376 -11.1376 -11.1376 -11.0953 -11.0953 -11.0953 -11.0953 -11.0734 -11.0734 -11.0734 -11.0734 -6.3973 -6.3973 -6.3973 -6.3973 -6.2436 -6.2436 -6.2436 -6.2436 -2.2541 -2.2541 -2.2541 -2.2541 -1.6420 -1.6420 -1.6420 -1.6420 -1.3661 -1.3661 -1.3661 -1.3661 -1.0020 -1.0020 -1.0020 -1.0020 1.7259 1.7259 1.7259 1.7259 1.7795 1.7795 1.7795 1.7795 5.8963 5.8963 5.8963 5.8963 5.9224 5.9224 5.9224 5.9224 6.4910 6.4910 6.4910 6.4910 k = 0.5000 0.3969 0.1368 ( 11608 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6840 -27.6840 -27.6840 -27.6840 -11.3901 -11.3901 -11.3901 -11.3901 -11.3856 -11.3856 -11.3856 -11.3856 -11.1504 -11.1504 -11.1504 -11.1504 -11.1377 -11.1377 -11.1377 -11.1377 -11.0948 -11.0948 -11.0948 -11.0948 -11.0740 -11.0740 -11.0740 -11.0740 -6.3927 -6.3927 -6.3927 -6.3927 -6.2491 -6.2491 -6.2491 -6.2491 -2.2345 -2.2345 -2.2345 -2.2345 -1.6620 -1.6620 -1.6620 -1.6620 -1.3557 -1.3557 -1.3557 -1.3557 -1.0157 -1.0157 -1.0157 -1.0157 1.7279 1.7279 1.7279 1.7279 1.7780 1.7780 1.7780 1.7780 5.8821 5.8821 5.8821 5.8821 5.9148 5.9148 5.9148 5.9148 6.5209 6.5209 6.5209 6.5209 k = 0.5000 0.3969 0.1539 ( 11604 PWs) bands (ev): -27.6856 -27.6856 -27.6856 -27.6856 -27.6841 -27.6841 -27.6841 -27.6841 -11.3899 -11.3899 -11.3899 -11.3899 -11.3856 -11.3856 -11.3856 -11.3856 -11.1503 -11.1503 -11.1503 -11.1503 -11.1379 -11.1379 -11.1379 -11.1379 -11.0942 -11.0942 -11.0942 -11.0942 -11.0747 -11.0747 -11.0747 -11.0747 -6.3877 -6.3877 -6.3877 -6.3877 -6.2552 -6.2552 -6.2552 -6.2552 -2.2127 -2.2127 -2.2127 -2.2127 -1.6842 -1.6842 -1.6842 -1.6842 -1.3441 -1.3441 -1.3441 -1.3441 -1.0307 -1.0307 -1.0307 -1.0307 1.7300 1.7300 1.7300 1.7300 1.7764 1.7764 1.7764 1.7764 5.8698 5.8698 5.8698 5.8698 5.9067 5.9067 5.9067 5.9067 6.5544 6.5544 6.5544 6.5544 k = 0.5000 0.3969 0.1710 ( 11604 PWs) bands (ev): -27.6855 -27.6855 -27.6855 -27.6855 -27.6841 -27.6841 -27.6841 -27.6841 -11.3896 -11.3896 -11.3896 -11.3896 -11.3857 -11.3857 -11.3857 -11.3857 -11.1503 -11.1503 -11.1503 -11.1503 -11.1380 -11.1380 -11.1380 -11.1380 -11.0936 -11.0936 -11.0936 -11.0936 -11.0754 -11.0754 -11.0754 -11.0754 -6.3821 -6.3821 -6.3821 -6.3821 -6.2618 -6.2618 -6.2618 -6.2618 -2.1889 -2.1889 -2.1889 -2.1889 -1.7085 -1.7085 -1.7085 -1.7085 -1.3313 -1.3313 -1.3313 -1.3313 -1.0468 -1.0468 -1.0468 -1.0468 1.7323 1.7323 1.7323 1.7323 1.7746 1.7746 1.7746 1.7746 5.8594 5.8594 5.8594 5.8594 5.8984 5.8984 5.8984 5.8984 6.5915 6.5915 6.5915 6.5915 k = 0.5000 0.3969 0.1881 ( 11592 PWs) bands (ev): -27.6854 -27.6854 -27.6854 -27.6854 -27.6842 -27.6842 -27.6842 -27.6842 -11.3894 -11.3894 -11.3894 -11.3894 -11.3858 -11.3858 -11.3858 -11.3858 -11.1502 -11.1502 -11.1502 -11.1502 -11.1382 -11.1382 -11.1382 -11.1382 -11.0930 -11.0930 -11.0930 -11.0930 -11.0761 -11.0761 -11.0761 -11.0761 -6.3761 -6.3761 -6.3761 -6.3761 -6.2687 -6.2687 -6.2687 -6.2687 -2.1633 -2.1633 -2.1633 -2.1633 -1.7345 -1.7345 -1.7345 -1.7345 -1.3174 -1.3174 -1.3174 -1.3174 -1.0639 -1.0639 -1.0639 -1.0639 1.7347 1.7347 1.7347 1.7347 1.7726 1.7726 1.7726 1.7726 5.8510 5.8510 5.8510 5.8510 5.8900 5.8900 5.8900 5.8900 6.6324 6.6324 6.6324 6.6324 k = 0.5000 0.3969 0.2052 ( 11588 PWs) bands (ev): -27.6853 -27.6853 -27.6853 -27.6853 -27.6843 -27.6843 -27.6843 -27.6843 -11.3891 -11.3891 -11.3891 -11.3891 -11.3858 -11.3858 -11.3858 -11.3858 -11.1502 -11.1502 -11.1502 -11.1502 -11.1383 -11.1383 -11.1383 -11.1383 -11.0923 -11.0923 -11.0923 -11.0923 -11.0769 -11.0769 -11.0769 -11.0769 -6.3697 -6.3697 -6.3697 -6.3697 -6.2761 -6.2761 -6.2761 -6.2761 -2.1360 -2.1360 -2.1360 -2.1360 -1.7622 -1.7622 -1.7622 -1.7622 -1.3025 -1.3025 -1.3025 -1.3025 -1.0818 -1.0818 -1.0818 -1.0818 1.7373 1.7373 1.7373 1.7373 1.7704 1.7704 1.7704 1.7704 5.8446 5.8446 5.8446 5.8446 5.8817 5.8817 5.8817 5.8817 6.6771 6.6771 6.6771 6.6771 k = 0.5000 0.3969 0.2222 ( 11584 PWs) bands (ev): -27.6852 -27.6852 -27.6852 -27.6852 -27.6844 -27.6844 -27.6844 -27.6844 -11.3889 -11.3889 -11.3889 -11.3889 -11.3859 -11.3859 -11.3859 -11.3859 -11.1501 -11.1501 -11.1501 -11.1501 -11.1384 -11.1384 -11.1384 -11.1384 -11.0917 -11.0917 -11.0917 -11.0917 -11.0776 -11.0776 -11.0776 -11.0776 -6.3628 -6.3628 -6.3628 -6.3628 -6.2838 -6.2838 -6.2838 -6.2838 -2.1073 -2.1073 -2.1073 -2.1073 -1.7914 -1.7914 -1.7914 -1.7914 -1.2867 -1.2867 -1.2867 -1.2867 -1.1003 -1.1003 -1.1003 -1.1003 1.7401 1.7401 1.7401 1.7401 1.7681 1.7681 1.7681 1.7681 5.8401 5.8401 5.8401 5.8401 5.8737 5.8737 5.8737 5.8737 6.7253 6.7253 6.7253 6.7253 k = 0.5000 0.3969 0.2393 ( 11572 PWs) bands (ev): -27.6851 -27.6851 -27.6851 -27.6851 -27.6844 -27.6844 -27.6844 -27.6844 -11.3886 -11.3886 -11.3886 -11.3886 -11.3861 -11.3861 -11.3861 -11.3861 -11.1500 -11.1500 -11.1500 -11.1500 -11.1386 -11.1386 -11.1386 -11.1386 -11.0911 -11.0911 -11.0911 -11.0911 -11.0783 -11.0783 -11.0783 -11.0783 -6.3556 -6.3556 -6.3556 -6.3556 -6.2917 -6.2917 -6.2917 -6.2917 -2.0774 -2.0774 -2.0774 -2.0774 -1.8217 -1.8217 -1.8217 -1.8217 -1.2700 -1.2700 -1.2700 -1.2700 -1.1193 -1.1193 -1.1193 -1.1193 1.7429 1.7429 1.7429 1.7429 1.7656 1.7656 1.7656 1.7656 5.8375 5.8375 5.8375 5.8375 5.8660 5.8660 5.8660 5.8660 6.7772 6.7772 6.7772 6.7772 k = 0.5000 0.3969 0.2564 ( 11580 PWs) bands (ev): -27.6851 -27.6851 -27.6851 -27.6851 -27.6845 -27.6845 -27.6845 -27.6845 -11.3884 -11.3884 -11.3884 -11.3884 -11.3862 -11.3862 -11.3862 -11.3862 -11.1500 -11.1500 -11.1500 -11.1500 -11.1387 -11.1387 -11.1387 -11.1387 -11.0905 -11.0905 -11.0905 -11.0905 -11.0789 -11.0789 -11.0789 -11.0789 -6.3481 -6.3481 -6.3481 -6.3481 -6.2998 -6.2998 -6.2998 -6.2998 -2.0464 -2.0464 -2.0464 -2.0464 -1.8529 -1.8529 -1.8529 -1.8529 -1.2525 -1.2525 -1.2525 -1.2525 -1.1386 -1.1386 -1.1386 -1.1386 1.7458 1.7458 1.7458 1.7458 1.7630 1.7630 1.7630 1.7630 5.8365 5.8365 5.8365 5.8365 5.8590 5.8590 5.8590 5.8590 6.8324 6.8324 6.8324 6.8324 k = 0.5000 0.3969 0.2735 ( 11588 PWs) bands (ev): -27.6850 -27.6850 -27.6850 -27.6850 -27.6846 -27.6846 -27.6846 -27.6846 -11.3882 -11.3882 -11.3882 -11.3882 -11.3863 -11.3863 -11.3863 -11.3863 -11.1500 -11.1500 -11.1500 -11.1500 -11.1387 -11.1387 -11.1387 -11.1387 -11.0901 -11.0901 -11.0901 -11.0901 -11.0794 -11.0794 -11.0794 -11.0794 -6.3404 -6.3404 -6.3404 -6.3404 -6.3079 -6.3079 -6.3079 -6.3079 -2.0147 -2.0147 -2.0147 -2.0147 -1.8849 -1.8849 -1.8849 -1.8849 -1.2344 -1.2344 -1.2344 -1.2344 -1.1581 -1.1581 -1.1581 -1.1581 1.7487 1.7487 1.7487 1.7487 1.7603 1.7603 1.7603 1.7603 5.8370 5.8370 5.8370 5.8370 5.8527 5.8527 5.8527 5.8527 6.8908 6.8908 6.8908 6.8908 k = 0.5000 0.3969 0.2906 ( 11584 PWs) bands (ev): -27.6849 -27.6849 -27.6849 -27.6849 -27.6847 -27.6847 -27.6847 -27.6847 -11.3880 -11.3880 -11.3880 -11.3880 -11.3864 -11.3864 -11.3864 -11.3864 -11.1499 -11.1499 -11.1499 -11.1499 -11.1388 -11.1388 -11.1388 -11.1388 -11.0898 -11.0898 -11.0898 -11.0898 -11.0797 -11.0797 -11.0797 -11.0797 -6.3324 -6.3324 -6.3324 -6.3324 -6.3161 -6.3161 -6.3161 -6.3161 -1.9824 -1.9824 -1.9824 -1.9824 -1.9173 -1.9173 -1.9173 -1.9173 -1.2158 -1.2158 -1.2158 -1.2158 -1.1775 -1.1775 -1.1775 -1.1775 1.7516 1.7516 1.7516 1.7516 1.7574 1.7574 1.7574 1.7574 5.8389 5.8389 5.8389 5.8389 5.8474 5.8474 5.8474 5.8474 6.9521 6.9521 6.9521 6.9521 k = 0.5000 0.3969 0.3077 ( 11576 PWs) bands (ev): -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -27.6848 -11.3880 -11.3880 -11.3880 -11.3880 -11.3865 -11.3865 -11.3865 -11.3865 -11.1499 -11.1499 -11.1499 -11.1499 -11.1388 -11.1388 -11.1388 -11.1388 -11.0896 -11.0896 -11.0896 -11.0896 -11.0798 -11.0798 -11.0798 -11.0798 -6.3245 -6.3245 -6.3245 -6.3245 -6.3241 -6.3241 -6.3241 -6.3241 -1.9499 -1.9499 -1.9499 -1.9499 -1.9498 -1.9498 -1.9498 -1.9498 -1.1969 -1.1969 -1.1969 -1.1969 -1.1968 -1.1968 -1.1968 -1.1968 1.7544 1.7544 1.7544 1.7544 1.7547 1.7547 1.7547 1.7547 5.8409 5.8409 5.8409 5.8409 5.8443 5.8443 5.8443 5.8443 7.0159 7.0160 7.0160 7.0160 Writing output data file KSiH3.save init_run : 0.42s CPU 0.59s WALL ( 1 calls) electrons : 518.18s CPU 523.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 518.17s CPU 523.34s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.14s WALL ( 300 calls) cegterg : 476.30s CPU 480.41s WALL ( 605 calls) Called by sum_band: Called by *egterg: h_psi : 239.49s CPU 243.58s WALL ( 9642 calls) s_psi : 23.52s CPU 23.36s WALL ( 9642 calls) g_psi : 0.47s CPU 0.46s WALL ( 8737 calls) cdiaghg : 190.96s CPU 191.55s WALL ( 9037 calls) cegterg:over : 23.54s CPU 23.54s WALL ( 8737 calls) cegterg:upda : 16.71s CPU 16.63s WALL ( 8737 calls) cegterg:last : 8.46s CPU 8.47s WALL ( 1269 calls) cdiaghg:chol : 7.51s CPU 7.70s WALL ( 9037 calls) cdiaghg:inve : 5.53s CPU 5.57s WALL ( 9037 calls) cdiaghg:para : 11.64s CPU 11.70s WALL ( 18074 calls) Called by h_psi: h_psi:vloc : 194.72s CPU 198.14s WALL ( 9642 calls) h_psi:vnl : 44.37s CPU 44.88s WALL ( 9642 calls) add_vuspsi : 23.17s CPU 23.36s WALL ( 9642 calls) General routines calbec : 21.16s CPU 21.49s WALL ( 9642 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 186.17s CPU 189.00s WALL ( 1247516 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.40s WALL ( 600 calls) Parallel routines fft_scatter : 126.00s CPU 127.43s WALL ( 1247539 calls) PWSCF : 9m39.89s CPU 10m 4.76s WALL This run was terminated on: 23:17:30 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=