Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 30 8 1458 1092 172 Max 37 31 9 1465 1111 179 Sum 1327 1095 323 52625 39633 6367 bravais-lattice index = 14 lattice parameter (alat) = 6.3060 a.u. unit-cell volume = 534.9659 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.306016 celldm(2)= 1.292478 celldm(3)= 1.650584 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 1.292478 0.000000 ) a(3) = ( 0.000000 0.000000 1.650584 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.773707 -0.000000 ) b(3) = ( 0.000000 0.000000 0.605846 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 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 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) 8 Sym. Ops., with inversion, found ( 4 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 ) ( 0.6462391 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8252922 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6462391 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8252922 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 0.6462391 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8252922 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6462391 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8252922 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 468 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 2) = ( 0.0104167 -0.0000000 -0.0000000), wk = 0.0021368 k( 3) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0021368 k( 4) = ( 0.0312500 -0.0000000 -0.0000000), wk = 0.0021368 k( 5) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0021368 k( 6) = ( 0.0520833 -0.0000000 -0.0000000), wk = 0.0021368 k( 7) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0021368 k( 8) = ( 0.0729167 -0.0000000 -0.0000000), wk = 0.0021368 k( 9) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0021368 k( 10) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0021368 k( 11) = ( 0.1041667 -0.0000000 -0.0000000), wk = 0.0021368 k( 12) = ( 0.1145833 -0.0000000 -0.0000000), wk = 0.0021368 k( 13) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0021368 k( 14) = ( 0.1354167 -0.0000000 -0.0000000), wk = 0.0021368 k( 15) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0021368 k( 16) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0021368 k( 17) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0021368 k( 18) = ( 0.1770833 -0.0000000 -0.0000000), wk = 0.0021368 k( 19) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0021368 k( 20) = ( 0.1979167 -0.0000000 -0.0000000), wk = 0.0021368 k( 21) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0021368 k( 22) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0021368 k( 23) = ( 0.2291667 -0.0000000 -0.0000000), wk = 0.0021368 k( 24) = ( 0.2395833 -0.0000000 -0.0000000), wk = 0.0021368 k( 25) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0021368 k( 26) = ( 0.2604167 -0.0000000 -0.0000000), wk = 0.0021368 k( 27) = ( 0.2708333 -0.0000000 -0.0000000), wk = 0.0021368 k( 28) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0021368 k( 29) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0021368 k( 30) = ( 0.3020833 -0.0000000 -0.0000000), wk = 0.0021368 k( 31) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0021368 k( 32) = ( 0.3229167 -0.0000000 -0.0000000), wk = 0.0021368 k( 33) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0021368 k( 34) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0021368 k( 35) = ( 0.3541667 -0.0000000 -0.0000000), wk = 0.0021368 k( 36) = ( 0.3645833 -0.0000000 -0.0000000), wk = 0.0021368 k( 37) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0021368 k( 38) = ( 0.3854167 -0.0000000 -0.0000000), wk = 0.0021368 k( 39) = ( 0.3958333 -0.0000000 -0.0000000), wk = 0.0021368 k( 40) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0021368 k( 41) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0021368 k( 42) = ( 0.4270833 -0.0000000 -0.0000000), wk = 0.0021368 k( 43) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0021368 k( 44) = ( 0.4479167 -0.0000000 -0.0000000), wk = 0.0021368 k( 45) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0021368 k( 46) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0021368 k( 47) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0021368 k( 48) = ( 0.4895833 -0.0000000 -0.0000000), wk = 0.0021368 k( 49) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021368 k( 50) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021368 k( 51) = ( 0.5000000 0.0104555 -0.0000000), wk = 0.0021368 k( 52) = ( 0.5000000 0.0209110 -0.0000000), wk = 0.0021368 k( 53) = ( 0.5000000 0.0313665 -0.0000000), wk = 0.0021368 k( 54) = ( 0.5000000 0.0418220 -0.0000000), wk = 0.0021368 k( 55) = ( 0.5000000 0.0522775 -0.0000000), wk = 0.0021368 k( 56) = ( 0.5000000 0.0627330 -0.0000000), wk = 0.0021368 k( 57) = ( 0.5000000 0.0731885 -0.0000000), wk = 0.0021368 k( 58) = ( 0.5000000 0.0836440 -0.0000000), wk = 0.0021368 k( 59) = ( 0.5000000 0.0940995 -0.0000000), wk = 0.0021368 k( 60) = ( 0.5000000 0.1045551 -0.0000000), wk = 0.0021368 k( 61) = ( 0.5000000 0.1150106 -0.0000000), wk = 0.0021368 k( 62) = ( 0.5000000 0.1254661 -0.0000000), wk = 0.0021368 k( 63) = ( 0.5000000 0.1359216 -0.0000000), wk = 0.0021368 k( 64) = ( 0.5000000 0.1463771 -0.0000000), wk = 0.0021368 k( 65) = ( 0.5000000 0.1568326 -0.0000000), wk = 0.0021368 k( 66) = ( 0.5000000 0.1672881 -0.0000000), wk = 0.0021368 k( 67) = ( 0.5000000 0.1777436 -0.0000000), wk = 0.0021368 k( 68) = ( 0.5000000 0.1881991 -0.0000000), wk = 0.0021368 k( 69) = ( 0.5000000 0.1986546 -0.0000000), wk = 0.0021368 k( 70) = ( 0.5000000 0.2091101 -0.0000000), wk = 0.0021368 k( 71) = ( 0.5000000 0.2195656 -0.0000000), wk = 0.0021368 k( 72) = ( 0.5000000 0.2300211 -0.0000000), wk = 0.0021368 k( 73) = ( 0.5000000 0.2404766 -0.0000000), wk = 0.0021368 k( 74) = ( 0.5000000 0.2509321 -0.0000000), wk = 0.0021368 k( 75) = ( 0.5000000 0.2613876 -0.0000000), wk = 0.0021368 k( 76) = ( 0.5000000 0.2718431 -0.0000000), wk = 0.0021368 k( 77) = ( 0.5000000 0.2822986 -0.0000000), wk = 0.0021368 k( 78) = ( 0.5000000 0.2927542 -0.0000000), wk = 0.0021368 k( 79) = ( 0.5000000 0.3032097 -0.0000000), wk = 0.0021368 k( 80) = ( 0.5000000 0.3136652 -0.0000000), wk = 0.0021368 k( 81) = ( 0.5000000 0.3241207 -0.0000000), wk = 0.0021368 k( 82) = ( 0.5000000 0.3345762 -0.0000000), wk = 0.0021368 k( 83) = ( 0.5000000 0.3450317 -0.0000000), wk = 0.0021368 k( 84) = ( 0.5000000 0.3554872 -0.0000000), wk = 0.0021368 k( 85) = ( 0.5000000 0.3659427 -0.0000000), wk = 0.0021368 k( 86) = ( 0.5000000 0.3763982 -0.0000000), wk = 0.0021368 k( 87) = ( 0.5000000 0.3868537 -0.0000000), wk = 0.0021368 k( 88) = ( 0.5000000 0.3868537 -0.0000000), wk = 0.0021368 k( 89) = ( 0.4895833 0.3868537 -0.0000000), wk = 0.0021368 k( 90) = ( 0.4791667 0.3868537 -0.0000000), wk = 0.0021368 k( 91) = ( 0.4687500 0.3868537 -0.0000000), wk = 0.0021368 k( 92) = ( 0.4583333 0.3868537 -0.0000000), wk = 0.0021368 k( 93) = ( 0.4479167 0.3868537 -0.0000000), wk = 0.0021368 k( 94) = ( 0.4375000 0.3868537 -0.0000000), wk = 0.0021368 k( 95) = ( 0.4270833 0.3868537 -0.0000000), wk = 0.0021368 k( 96) = ( 0.4166667 0.3868537 -0.0000000), wk = 0.0021368 k( 97) = ( 0.4062500 0.3868537 -0.0000000), wk = 0.0021368 k( 98) = ( 0.3958333 0.3868537 -0.0000000), wk = 0.0021368 k( 99) = ( 0.3854167 0.3868537 -0.0000000), wk = 0.0021368 k( 100) = ( 0.3750000 0.3868537 -0.0000000), wk = 0.0021368 k( 101) = ( 0.3645833 0.3868537 -0.0000000), wk = 0.0021368 k( 102) = ( 0.3541667 0.3868537 -0.0000000), wk = 0.0021368 k( 103) = ( 0.3437500 0.3868537 -0.0000000), wk = 0.0021368 k( 104) = ( 0.3333333 0.3868537 -0.0000000), wk = 0.0021368 k( 105) = ( 0.3229167 0.3868537 -0.0000000), wk = 0.0021368 k( 106) = ( 0.3125000 0.3868537 -0.0000000), wk = 0.0021368 k( 107) = ( 0.3020833 0.3868537 -0.0000000), wk = 0.0021368 k( 108) = ( 0.2916667 0.3868537 -0.0000000), wk = 0.0021368 k( 109) = ( 0.2812500 0.3868537 -0.0000000), wk = 0.0021368 k( 110) = ( 0.2708333 0.3868537 -0.0000000), wk = 0.0021368 k( 111) = ( 0.2604167 0.3868537 -0.0000000), wk = 0.0021368 k( 112) = ( 0.2500000 0.3868537 -0.0000000), wk = 0.0021368 k( 113) = ( 0.2395833 0.3868537 -0.0000000), wk = 0.0021368 k( 114) = ( 0.2291667 0.3868537 -0.0000000), wk = 0.0021368 k( 115) = ( 0.2187500 0.3868537 -0.0000000), wk = 0.0021368 k( 116) = ( 0.2083333 0.3868537 -0.0000000), wk = 0.0021368 k( 117) = ( 0.1979167 0.3868537 -0.0000000), wk = 0.0021368 k( 118) = ( 0.1875000 0.3868537 -0.0000000), wk = 0.0021368 k( 119) = ( 0.1770833 0.3868537 -0.0000000), wk = 0.0021368 k( 120) = ( 0.1666667 0.3868537 -0.0000000), wk = 0.0021368 k( 121) = ( 0.1562500 0.3868537 -0.0000000), wk = 0.0021368 k( 122) = ( 0.1458333 0.3868537 -0.0000000), wk = 0.0021368 k( 123) = ( 0.1354167 0.3868537 -0.0000000), wk = 0.0021368 k( 124) = ( 0.1250000 0.3868537 -0.0000000), wk = 0.0021368 k( 125) = ( 0.1145833 0.3868537 -0.0000000), wk = 0.0021368 k( 126) = ( 0.1041667 0.3868537 -0.0000000), wk = 0.0021368 k( 127) = ( 0.0937500 0.3868537 -0.0000000), wk = 0.0021368 k( 128) = ( 0.0833333 0.3868537 -0.0000000), wk = 0.0021368 k( 129) = ( 0.0729167 0.3868537 -0.0000000), wk = 0.0021368 k( 130) = ( 0.0625000 0.3868537 -0.0000000), wk = 0.0021368 k( 131) = ( 0.0520833 0.3868537 -0.0000000), wk = 0.0021368 k( 132) = ( 0.0416667 0.3868537 -0.0000000), wk = 0.0021368 k( 133) = ( 0.0312500 0.3868537 -0.0000000), wk = 0.0021368 k( 134) = ( 0.0208333 0.3868537 -0.0000000), wk = 0.0021368 k( 135) = ( 0.0104167 0.3868537 -0.0000000), wk = 0.0021368 k( 136) = ( 0.0000000 0.3868537 -0.0000000), wk = 0.0021368 k( 137) = ( 0.0000000 0.3868537 -0.0000000), wk = 0.0021368 k( 138) = ( 0.0000000 0.3763982 -0.0000000), wk = 0.0021368 k( 139) = ( 0.0000000 0.3659427 -0.0000000), wk = 0.0021368 k( 140) = ( 0.0000000 0.3554872 -0.0000000), wk = 0.0021368 k( 141) = ( 0.0000000 0.3450317 -0.0000000), wk = 0.0021368 k( 142) = ( 0.0000000 0.3345762 -0.0000000), wk = 0.0021368 k( 143) = ( 0.0000000 0.3241207 -0.0000000), wk = 0.0021368 k( 144) = ( 0.0000000 0.3136652 -0.0000000), wk = 0.0021368 k( 145) = ( 0.0000000 0.3032097 -0.0000000), wk = 0.0021368 k( 146) = ( 0.0000000 0.2927542 -0.0000000), wk = 0.0021368 k( 147) = ( 0.0000000 0.2822986 -0.0000000), wk = 0.0021368 k( 148) = ( 0.0000000 0.2718431 -0.0000000), wk = 0.0021368 k( 149) = ( 0.0000000 0.2613876 -0.0000000), wk = 0.0021368 k( 150) = ( 0.0000000 0.2509321 -0.0000000), wk = 0.0021368 k( 151) = ( 0.0000000 0.2404766 -0.0000000), wk = 0.0021368 k( 152) = ( 0.0000000 0.2300211 -0.0000000), wk = 0.0021368 k( 153) = ( 0.0000000 0.2195656 -0.0000000), wk = 0.0021368 k( 154) = ( 0.0000000 0.2091101 -0.0000000), wk = 0.0021368 k( 155) = ( 0.0000000 0.1986546 -0.0000000), wk = 0.0021368 k( 156) = ( 0.0000000 0.1881991 -0.0000000), wk = 0.0021368 k( 157) = ( 0.0000000 0.1777436 -0.0000000), wk = 0.0021368 k( 158) = ( 0.0000000 0.1672881 -0.0000000), wk = 0.0021368 k( 159) = ( 0.0000000 0.1568326 -0.0000000), wk = 0.0021368 k( 160) = ( 0.0000000 0.1463771 -0.0000000), wk = 0.0021368 k( 161) = ( 0.0000000 0.1359216 -0.0000000), wk = 0.0021368 k( 162) = ( 0.0000000 0.1254661 -0.0000000), wk = 0.0021368 k( 163) = ( 0.0000000 0.1150106 -0.0000000), wk = 0.0021368 k( 164) = ( 0.0000000 0.1045551 -0.0000000), wk = 0.0021368 k( 165) = ( 0.0000000 0.0940995 -0.0000000), wk = 0.0021368 k( 166) = ( 0.0000000 0.0836440 -0.0000000), wk = 0.0021368 k( 167) = ( 0.0000000 0.0731885 -0.0000000), wk = 0.0021368 k( 168) = ( 0.0000000 0.0627330 -0.0000000), wk = 0.0021368 k( 169) = ( 0.0000000 0.0522775 -0.0000000), wk = 0.0021368 k( 170) = ( 0.0000000 0.0418220 -0.0000000), wk = 0.0021368 k( 171) = ( 0.0000000 0.0313665 -0.0000000), wk = 0.0021368 k( 172) = ( 0.0000000 0.0209110 -0.0000000), wk = 0.0021368 k( 173) = ( 0.0000000 0.0104555 -0.0000000), wk = 0.0021368 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 176) = ( 0.0000000 0.0000000 0.0104456), wk = 0.0021368 k( 177) = ( 0.0000000 0.0000000 0.0208912), wk = 0.0021368 k( 178) = ( 0.0000000 0.0000000 0.0313369), wk = 0.0021368 k( 179) = ( 0.0000000 0.0000000 0.0417825), wk = 0.0021368 k( 180) = ( 0.0000000 0.0000000 0.0522281), wk = 0.0021368 k( 181) = ( 0.0000000 0.0000000 0.0626737), wk = 0.0021368 k( 182) = ( 0.0000000 0.0000000 0.0731194), wk = 0.0021368 k( 183) = ( 0.0000000 0.0000000 0.0835650), wk = 0.0021368 k( 184) = ( 0.0000000 0.0000000 0.0940106), wk = 0.0021368 k( 185) = ( 0.0000000 0.0000000 0.1044562), wk = 0.0021368 k( 186) = ( 0.0000000 0.0000000 0.1149018), wk = 0.0021368 k( 187) = ( 0.0000000 0.0000000 0.1253475), wk = 0.0021368 k( 188) = ( 0.0000000 0.0000000 0.1357931), wk = 0.0021368 k( 189) = ( 0.0000000 0.0000000 0.1462387), wk = 0.0021368 k( 190) = ( 0.0000000 0.0000000 0.1566843), wk = 0.0021368 k( 191) = ( 0.0000000 0.0000000 0.1671299), wk = 0.0021368 k( 192) = ( 0.0000000 0.0000000 0.1775756), wk = 0.0021368 k( 193) = ( 0.0000000 0.0000000 0.1880212), wk = 0.0021368 k( 194) = ( 0.0000000 0.0000000 0.1984668), wk = 0.0021368 k( 195) = ( 0.0000000 0.0000000 0.2089124), wk = 0.0021368 k( 196) = ( 0.0000000 0.0000000 0.2193581), wk = 0.0021368 k( 197) = ( 0.0000000 0.0000000 0.2298037), wk = 0.0021368 k( 198) = ( 0.0000000 0.0000000 0.2402493), wk = 0.0021368 k( 199) = ( 0.0000000 0.0000000 0.2506949), wk = 0.0021368 k( 200) = ( 0.0000000 0.0000000 0.2611405), wk = 0.0021368 k( 201) = ( 0.0000000 0.0000000 0.2715862), wk = 0.0021368 k( 202) = ( 0.0000000 0.0000000 0.2820318), wk = 0.0021368 k( 203) = ( 0.0000000 0.0000000 0.2924774), wk = 0.0021368 k( 204) = ( 0.0000000 0.0000000 0.3029230), wk = 0.0021368 k( 205) = ( 0.0000000 0.0000000 0.3029230), wk = 0.0021368 k( 206) = ( 0.0104167 -0.0000000 0.3029230), wk = 0.0021368 k( 207) = ( 0.0208333 -0.0000000 0.3029230), wk = 0.0021368 k( 208) = ( 0.0312500 -0.0000000 0.3029230), wk = 0.0021368 k( 209) = ( 0.0416667 -0.0000000 0.3029230), wk = 0.0021368 k( 210) = ( 0.0520833 -0.0000000 0.3029230), wk = 0.0021368 k( 211) = ( 0.0625000 -0.0000000 0.3029230), wk = 0.0021368 k( 212) = ( 0.0729167 -0.0000000 0.3029230), wk = 0.0021368 k( 213) = ( 0.0833333 -0.0000000 0.3029230), wk = 0.0021368 k( 214) = ( 0.0937500 -0.0000000 0.3029230), wk = 0.0021368 k( 215) = ( 0.1041667 -0.0000000 0.3029230), wk = 0.0021368 k( 216) = ( 0.1145833 -0.0000000 0.3029230), wk = 0.0021368 k( 217) = ( 0.1250000 -0.0000000 0.3029230), wk = 0.0021368 k( 218) = ( 0.1354167 -0.0000000 0.3029230), wk = 0.0021368 k( 219) = ( 0.1458333 -0.0000000 0.3029230), wk = 0.0021368 k( 220) = ( 0.1562500 -0.0000000 0.3029230), wk = 0.0021368 k( 221) = ( 0.1666667 -0.0000000 0.3029230), wk = 0.0021368 k( 222) = ( 0.1770833 -0.0000000 0.3029230), wk = 0.0021368 k( 223) = ( 0.1875000 -0.0000000 0.3029230), wk = 0.0021368 k( 224) = ( 0.1979167 -0.0000000 0.3029230), wk = 0.0021368 k( 225) = ( 0.2083333 -0.0000000 0.3029230), wk = 0.0021368 k( 226) = ( 0.2187500 -0.0000000 0.3029230), wk = 0.0021368 k( 227) = ( 0.2291667 -0.0000000 0.3029230), wk = 0.0021368 k( 228) = ( 0.2395833 -0.0000000 0.3029230), wk = 0.0021368 k( 229) = ( 0.2500000 -0.0000000 0.3029230), wk = 0.0021368 k( 230) = ( 0.2604167 -0.0000000 0.3029230), wk = 0.0021368 k( 231) = ( 0.2708333 -0.0000000 0.3029230), wk = 0.0021368 k( 232) = ( 0.2812500 -0.0000000 0.3029230), wk = 0.0021368 k( 233) = ( 0.2916667 -0.0000000 0.3029230), wk = 0.0021368 k( 234) = ( 0.3020833 -0.0000000 0.3029230), wk = 0.0021368 k( 235) = ( 0.3125000 -0.0000000 0.3029230), wk = 0.0021368 k( 236) = ( 0.3229167 -0.0000000 0.3029230), wk = 0.0021368 k( 237) = ( 0.3333333 -0.0000000 0.3029230), wk = 0.0021368 k( 238) = ( 0.3437500 -0.0000000 0.3029230), wk = 0.0021368 k( 239) = ( 0.3541667 -0.0000000 0.3029230), wk = 0.0021368 k( 240) = ( 0.3645833 -0.0000000 0.3029230), wk = 0.0021368 k( 241) = ( 0.3750000 -0.0000000 0.3029230), wk = 0.0021368 k( 242) = ( 0.3854167 -0.0000000 0.3029230), wk = 0.0021368 k( 243) = ( 0.3958333 -0.0000000 0.3029230), wk = 0.0021368 k( 244) = ( 0.4062500 -0.0000000 0.3029230), wk = 0.0021368 k( 245) = ( 0.4166667 -0.0000000 0.3029230), wk = 0.0021368 k( 246) = ( 0.4270833 -0.0000000 0.3029230), wk = 0.0021368 k( 247) = ( 0.4375000 -0.0000000 0.3029230), wk = 0.0021368 k( 248) = ( 0.4479167 -0.0000000 0.3029230), wk = 0.0021368 k( 249) = ( 0.4583333 -0.0000000 0.3029230), wk = 0.0021368 k( 250) = ( 0.4687500 -0.0000000 0.3029230), wk = 0.0021368 k( 251) = ( 0.4791667 -0.0000000 0.3029230), wk = 0.0021368 k( 252) = ( 0.4895833 -0.0000000 0.3029230), wk = 0.0021368 k( 253) = ( 0.5000000 -0.0000000 0.3029230), wk = 0.0021368 k( 254) = ( 0.5000000 -0.0000000 0.3029230), wk = 0.0021368 k( 255) = ( 0.5000000 0.0104555 0.3029230), wk = 0.0021368 k( 256) = ( 0.5000000 0.0209110 0.3029230), wk = 0.0021368 k( 257) = ( 0.5000000 0.0313665 0.3029230), wk = 0.0021368 k( 258) = ( 0.5000000 0.0418220 0.3029230), wk = 0.0021368 k( 259) = ( 0.5000000 0.0522775 0.3029230), wk = 0.0021368 k( 260) = ( 0.5000000 0.0627330 0.3029230), wk = 0.0021368 k( 261) = ( 0.5000000 0.0731885 0.3029230), wk = 0.0021368 k( 262) = ( 0.5000000 0.0836440 0.3029230), wk = 0.0021368 k( 263) = ( 0.5000000 0.0940995 0.3029230), wk = 0.0021368 k( 264) = ( 0.5000000 0.1045551 0.3029230), wk = 0.0021368 k( 265) = ( 0.5000000 0.1150106 0.3029230), wk = 0.0021368 k( 266) = ( 0.5000000 0.1254661 0.3029230), wk = 0.0021368 k( 267) = ( 0.5000000 0.1359216 0.3029230), wk = 0.0021368 k( 268) = ( 0.5000000 0.1463771 0.3029230), wk = 0.0021368 k( 269) = ( 0.5000000 0.1568326 0.3029230), wk = 0.0021368 k( 270) = ( 0.5000000 0.1672881 0.3029230), wk = 0.0021368 k( 271) = ( 0.5000000 0.1777436 0.3029230), wk = 0.0021368 k( 272) = ( 0.5000000 0.1881991 0.3029230), wk = 0.0021368 k( 273) = ( 0.5000000 0.1986546 0.3029230), wk = 0.0021368 k( 274) = ( 0.5000000 0.2091101 0.3029230), wk = 0.0021368 k( 275) = ( 0.5000000 0.2195656 0.3029230), wk = 0.0021368 k( 276) = ( 0.5000000 0.2300211 0.3029230), wk = 0.0021368 k( 277) = ( 0.5000000 0.2404766 0.3029230), wk = 0.0021368 k( 278) = ( 0.5000000 0.2509321 0.3029230), wk = 0.0021368 k( 279) = ( 0.5000000 0.2613876 0.3029230), wk = 0.0021368 k( 280) = ( 0.5000000 0.2718431 0.3029230), wk = 0.0021368 k( 281) = ( 0.5000000 0.2822986 0.3029230), wk = 0.0021368 k( 282) = ( 0.5000000 0.2927542 0.3029230), wk = 0.0021368 k( 283) = ( 0.5000000 0.3032097 0.3029230), wk = 0.0021368 k( 284) = ( 0.5000000 0.3136652 0.3029230), wk = 0.0021368 k( 285) = ( 0.5000000 0.3241207 0.3029230), wk = 0.0021368 k( 286) = ( 0.5000000 0.3345762 0.3029230), wk = 0.0021368 k( 287) = ( 0.5000000 0.3450317 0.3029230), wk = 0.0021368 k( 288) = ( 0.5000000 0.3554872 0.3029230), wk = 0.0021368 k( 289) = ( 0.5000000 0.3659427 0.3029230), wk = 0.0021368 k( 290) = ( 0.5000000 0.3763982 0.3029230), wk = 0.0021368 k( 291) = ( 0.5000000 0.3868537 0.3029230), wk = 0.0021368 k( 292) = ( 0.5000000 0.3868537 0.3029230), wk = 0.0021368 k( 293) = ( 0.4895833 0.3868537 0.3029230), wk = 0.0021368 k( 294) = ( 0.4791667 0.3868537 0.3029230), wk = 0.0021368 k( 295) = ( 0.4687500 0.3868537 0.3029230), wk = 0.0021368 k( 296) = ( 0.4583333 0.3868537 0.3029230), wk = 0.0021368 k( 297) = ( 0.4479167 0.3868537 0.3029230), wk = 0.0021368 k( 298) = ( 0.4375000 0.3868537 0.3029230), wk = 0.0021368 k( 299) = ( 0.4270833 0.3868537 0.3029230), wk = 0.0021368 k( 300) = ( 0.4166667 0.3868537 0.3029230), wk = 0.0021368 k( 301) = ( 0.4062500 0.3868537 0.3029230), wk = 0.0021368 k( 302) = ( 0.3958333 0.3868537 0.3029230), wk = 0.0021368 k( 303) = ( 0.3854167 0.3868537 0.3029230), wk = 0.0021368 k( 304) = ( 0.3750000 0.3868537 0.3029230), wk = 0.0021368 k( 305) = ( 0.3645833 0.3868537 0.3029230), wk = 0.0021368 k( 306) = ( 0.3541667 0.3868537 0.3029230), wk = 0.0021368 k( 307) = ( 0.3437500 0.3868537 0.3029230), wk = 0.0021368 k( 308) = ( 0.3333333 0.3868537 0.3029230), wk = 0.0021368 k( 309) = ( 0.3229167 0.3868537 0.3029230), wk = 0.0021368 k( 310) = ( 0.3125000 0.3868537 0.3029230), wk = 0.0021368 k( 311) = ( 0.3020833 0.3868537 0.3029230), wk = 0.0021368 k( 312) = ( 0.2916667 0.3868537 0.3029230), wk = 0.0021368 k( 313) = ( 0.2812500 0.3868537 0.3029230), wk = 0.0021368 k( 314) = ( 0.2708333 0.3868537 0.3029230), wk = 0.0021368 k( 315) = ( 0.2604167 0.3868537 0.3029230), wk = 0.0021368 k( 316) = ( 0.2500000 0.3868537 0.3029230), wk = 0.0021368 k( 317) = ( 0.2395833 0.3868537 0.3029230), wk = 0.0021368 k( 318) = ( 0.2291667 0.3868537 0.3029230), wk = 0.0021368 k( 319) = ( 0.2187500 0.3868537 0.3029230), wk = 0.0021368 k( 320) = ( 0.2083333 0.3868537 0.3029230), wk = 0.0021368 k( 321) = ( 0.1979167 0.3868537 0.3029230), wk = 0.0021368 k( 322) = ( 0.1875000 0.3868537 0.3029230), wk = 0.0021368 k( 323) = ( 0.1770833 0.3868537 0.3029230), wk = 0.0021368 k( 324) = ( 0.1666667 0.3868537 0.3029230), wk = 0.0021368 k( 325) = ( 0.1562500 0.3868537 0.3029230), wk = 0.0021368 k( 326) = ( 0.1458333 0.3868537 0.3029230), wk = 0.0021368 k( 327) = ( 0.1354167 0.3868537 0.3029230), wk = 0.0021368 k( 328) = ( 0.1250000 0.3868537 0.3029230), wk = 0.0021368 k( 329) = ( 0.1145833 0.3868537 0.3029230), wk = 0.0021368 k( 330) = ( 0.1041667 0.3868537 0.3029230), wk = 0.0021368 k( 331) = ( 0.0937500 0.3868537 0.3029230), wk = 0.0021368 k( 332) = ( 0.0833333 0.3868537 0.3029230), wk = 0.0021368 k( 333) = ( 0.0729167 0.3868537 0.3029230), wk = 0.0021368 k( 334) = ( 0.0625000 0.3868537 0.3029230), wk = 0.0021368 k( 335) = ( 0.0520833 0.3868537 0.3029230), wk = 0.0021368 k( 336) = ( 0.0416667 0.3868537 0.3029230), wk = 0.0021368 k( 337) = ( 0.0312500 0.3868537 0.3029230), wk = 0.0021368 k( 338) = ( 0.0208333 0.3868537 0.3029230), wk = 0.0021368 k( 339) = ( 0.0104167 0.3868537 0.3029230), wk = 0.0021368 k( 340) = ( 0.0000000 0.3868537 0.3029230), wk = 0.0021368 k( 341) = ( 0.0000000 0.3868537 0.3029230), wk = 0.0021368 k( 342) = ( 0.0000000 0.3763982 0.3029230), wk = 0.0021368 k( 343) = ( 0.0000000 0.3659427 0.3029230), wk = 0.0021368 k( 344) = ( 0.0000000 0.3554872 0.3029230), wk = 0.0021368 k( 345) = ( 0.0000000 0.3450317 0.3029230), wk = 0.0021368 k( 346) = ( 0.0000000 0.3345762 0.3029230), wk = 0.0021368 k( 347) = ( 0.0000000 0.3241207 0.3029230), wk = 0.0021368 k( 348) = ( 0.0000000 0.3136652 0.3029230), wk = 0.0021368 k( 349) = ( 0.0000000 0.3032097 0.3029230), wk = 0.0021368 k( 350) = ( 0.0000000 0.2927542 0.3029230), wk = 0.0021368 k( 351) = ( 0.0000000 0.2822986 0.3029230), wk = 0.0021368 k( 352) = ( 0.0000000 0.2718431 0.3029230), wk = 0.0021368 k( 353) = ( 0.0000000 0.2613876 0.3029230), wk = 0.0021368 k( 354) = ( 0.0000000 0.2509321 0.3029230), wk = 0.0021368 k( 355) = ( 0.0000000 0.2404766 0.3029230), wk = 0.0021368 k( 356) = ( 0.0000000 0.2300211 0.3029230), wk = 0.0021368 k( 357) = ( 0.0000000 0.2195656 0.3029230), wk = 0.0021368 k( 358) = ( 0.0000000 0.2091101 0.3029230), wk = 0.0021368 k( 359) = ( 0.0000000 0.1986546 0.3029230), wk = 0.0021368 k( 360) = ( 0.0000000 0.1881991 0.3029230), wk = 0.0021368 k( 361) = ( 0.0000000 0.1777436 0.3029230), wk = 0.0021368 k( 362) = ( 0.0000000 0.1672881 0.3029230), wk = 0.0021368 k( 363) = ( 0.0000000 0.1568326 0.3029230), wk = 0.0021368 k( 364) = ( 0.0000000 0.1463771 0.3029230), wk = 0.0021368 k( 365) = ( 0.0000000 0.1359216 0.3029230), wk = 0.0021368 k( 366) = ( 0.0000000 0.1254661 0.3029230), wk = 0.0021368 k( 367) = ( 0.0000000 0.1150106 0.3029230), wk = 0.0021368 k( 368) = ( 0.0000000 0.1045551 0.3029230), wk = 0.0021368 k( 369) = ( 0.0000000 0.0940995 0.3029230), wk = 0.0021368 k( 370) = ( 0.0000000 0.0836440 0.3029230), wk = 0.0021368 k( 371) = ( 0.0000000 0.0731885 0.3029230), wk = 0.0021368 k( 372) = ( 0.0000000 0.0627330 0.3029230), wk = 0.0021368 k( 373) = ( 0.0000000 0.0522775 0.3029230), wk = 0.0021368 k( 374) = ( 0.0000000 0.0418220 0.3029230), wk = 0.0021368 k( 375) = ( 0.0000000 0.0313665 0.3029230), wk = 0.0021368 k( 376) = ( 0.0000000 0.0209110 0.3029230), wk = 0.0021368 k( 377) = ( 0.0000000 0.0104555 0.3029230), wk = 0.0021368 k( 378) = ( 0.0000000 0.0000000 0.3029230), wk = 0.0021368 k( 379) = ( 0.0000000 0.3868537 -0.0000000), wk = 0.0021368 k( 380) = ( 0.0000000 0.3868537 0.0104456), wk = 0.0021368 k( 381) = ( 0.0000000 0.3868537 0.0208912), wk = 0.0021368 k( 382) = ( 0.0000000 0.3868537 0.0313369), wk = 0.0021368 k( 383) = ( 0.0000000 0.3868537 0.0417825), wk = 0.0021368 k( 384) = ( 0.0000000 0.3868537 0.0522281), wk = 0.0021368 k( 385) = ( 0.0000000 0.3868537 0.0626737), wk = 0.0021368 k( 386) = ( 0.0000000 0.3868537 0.0731194), wk = 0.0021368 k( 387) = ( 0.0000000 0.3868537 0.0835650), wk = 0.0021368 k( 388) = ( 0.0000000 0.3868537 0.0940106), wk = 0.0021368 k( 389) = ( 0.0000000 0.3868537 0.1044562), wk = 0.0021368 k( 390) = ( 0.0000000 0.3868537 0.1149018), wk = 0.0021368 k( 391) = ( 0.0000000 0.3868537 0.1253475), wk = 0.0021368 k( 392) = ( 0.0000000 0.3868537 0.1357931), wk = 0.0021368 k( 393) = ( 0.0000000 0.3868537 0.1462387), wk = 0.0021368 k( 394) = ( 0.0000000 0.3868537 0.1566843), wk = 0.0021368 k( 395) = ( 0.0000000 0.3868537 0.1671299), wk = 0.0021368 k( 396) = ( 0.0000000 0.3868537 0.1775756), wk = 0.0021368 k( 397) = ( 0.0000000 0.3868537 0.1880212), wk = 0.0021368 k( 398) = ( 0.0000000 0.3868537 0.1984668), wk = 0.0021368 k( 399) = ( 0.0000000 0.3868537 0.2089124), wk = 0.0021368 k( 400) = ( 0.0000000 0.3868537 0.2193581), wk = 0.0021368 k( 401) = ( 0.0000000 0.3868537 0.2298037), wk = 0.0021368 k( 402) = ( 0.0000000 0.3868537 0.2402493), wk = 0.0021368 k( 403) = ( 0.0000000 0.3868537 0.2506949), wk = 0.0021368 k( 404) = ( 0.0000000 0.3868537 0.2611405), wk = 0.0021368 k( 405) = ( 0.0000000 0.3868537 0.2715862), wk = 0.0021368 k( 406) = ( 0.0000000 0.3868537 0.2820318), wk = 0.0021368 k( 407) = ( 0.0000000 0.3868537 0.2924774), wk = 0.0021368 k( 408) = ( 0.0000000 0.3868537 0.3029230), wk = 0.0021368 k( 409) = ( 0.5000000 -0.0000000 0.3029230), wk = 0.0021368 k( 410) = ( 0.5000000 -0.0000000 0.2924774), wk = 0.0021368 k( 411) = ( 0.5000000 -0.0000000 0.2820318), wk = 0.0021368 k( 412) = ( 0.5000000 -0.0000000 0.2715862), wk = 0.0021368 k( 413) = ( 0.5000000 -0.0000000 0.2611405), wk = 0.0021368 k( 414) = ( 0.5000000 -0.0000000 0.2506949), wk = 0.0021368 k( 415) = ( 0.5000000 -0.0000000 0.2402493), wk = 0.0021368 k( 416) = ( 0.5000000 -0.0000000 0.2298037), wk = 0.0021368 k( 417) = ( 0.5000000 -0.0000000 0.2193581), wk = 0.0021368 k( 418) = ( 0.5000000 -0.0000000 0.2089124), wk = 0.0021368 k( 419) = ( 0.5000000 -0.0000000 0.1984668), wk = 0.0021368 k( 420) = ( 0.5000000 -0.0000000 0.1880212), wk = 0.0021368 k( 421) = ( 0.5000000 -0.0000000 0.1775756), wk = 0.0021368 k( 422) = ( 0.5000000 -0.0000000 0.1671299), wk = 0.0021368 k( 423) = ( 0.5000000 -0.0000000 0.1566843), wk = 0.0021368 k( 424) = ( 0.5000000 -0.0000000 0.1462387), wk = 0.0021368 k( 425) = ( 0.5000000 -0.0000000 0.1357931), wk = 0.0021368 k( 426) = ( 0.5000000 -0.0000000 0.1253475), wk = 0.0021368 k( 427) = ( 0.5000000 -0.0000000 0.1149018), wk = 0.0021368 k( 428) = ( 0.5000000 -0.0000000 0.1044562), wk = 0.0021368 k( 429) = ( 0.5000000 -0.0000000 0.0940106), wk = 0.0021368 k( 430) = ( 0.5000000 -0.0000000 0.0835650), wk = 0.0021368 k( 431) = ( 0.5000000 -0.0000000 0.0731194), wk = 0.0021368 k( 432) = ( 0.5000000 -0.0000000 0.0626737), wk = 0.0021368 k( 433) = ( 0.5000000 -0.0000000 0.0522281), wk = 0.0021368 k( 434) = ( 0.5000000 -0.0000000 0.0417825), wk = 0.0021368 k( 435) = ( 0.5000000 -0.0000000 0.0313369), wk = 0.0021368 k( 436) = ( 0.5000000 -0.0000000 0.0208912), wk = 0.0021368 k( 437) = ( 0.5000000 -0.0000000 0.0104456), wk = 0.0021368 k( 438) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021368 k( 439) = ( 0.5000000 0.3868537 -0.0000000), wk = 0.0021368 k( 440) = ( 0.5000000 0.3868537 0.0104456), wk = 0.0021368 k( 441) = ( 0.5000000 0.3868537 0.0208912), wk = 0.0021368 k( 442) = ( 0.5000000 0.3868537 0.0313369), wk = 0.0021368 k( 443) = ( 0.5000000 0.3868537 0.0417825), wk = 0.0021368 k( 444) = ( 0.5000000 0.3868537 0.0522281), wk = 0.0021368 k( 445) = ( 0.5000000 0.3868537 0.0626737), wk = 0.0021368 k( 446) = ( 0.5000000 0.3868537 0.0731194), wk = 0.0021368 k( 447) = ( 0.5000000 0.3868537 0.0835650), wk = 0.0021368 k( 448) = ( 0.5000000 0.3868537 0.0940106), wk = 0.0021368 k( 449) = ( 0.5000000 0.3868537 0.1044562), wk = 0.0021368 k( 450) = ( 0.5000000 0.3868537 0.1149018), wk = 0.0021368 k( 451) = ( 0.5000000 0.3868537 0.1253475), wk = 0.0021368 k( 452) = ( 0.5000000 0.3868537 0.1357931), wk = 0.0021368 k( 453) = ( 0.5000000 0.3868537 0.1462387), wk = 0.0021368 k( 454) = ( 0.5000000 0.3868537 0.1566843), wk = 0.0021368 k( 455) = ( 0.5000000 0.3868537 0.1671299), wk = 0.0021368 k( 456) = ( 0.5000000 0.3868537 0.1775756), wk = 0.0021368 k( 457) = ( 0.5000000 0.3868537 0.1880212), wk = 0.0021368 k( 458) = ( 0.5000000 0.3868537 0.1984668), wk = 0.0021368 k( 459) = ( 0.5000000 0.3868537 0.2089124), wk = 0.0021368 k( 460) = ( 0.5000000 0.3868537 0.2193581), wk = 0.0021368 k( 461) = ( 0.5000000 0.3868537 0.2298037), wk = 0.0021368 k( 462) = ( 0.5000000 0.3868537 0.2402493), wk = 0.0021368 k( 463) = ( 0.5000000 0.3868537 0.2506949), wk = 0.0021368 k( 464) = ( 0.5000000 0.3868537 0.2611405), wk = 0.0021368 k( 465) = ( 0.5000000 0.3868537 0.2715862), wk = 0.0021368 k( 466) = ( 0.5000000 0.3868537 0.2820318), wk = 0.0021368 k( 467) = ( 0.5000000 0.3868537 0.2924774), wk = 0.0021368 k( 468) = ( 0.5000000 0.3868537 0.3029230), wk = 0.0021368 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 2) = ( 0.0104167 -0.0000000 0.0000000), wk = 0.0021368 k( 3) = ( 0.0208333 -0.0000000 0.0000000), wk = 0.0021368 k( 4) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0021368 k( 5) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0021368 k( 6) = ( 0.0520833 -0.0000000 0.0000000), wk = 0.0021368 k( 7) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0021368 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0021368 k( 9) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0021368 k( 10) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0021368 k( 11) = ( 0.1041667 -0.0000000 0.0000000), wk = 0.0021368 k( 12) = ( 0.1145833 -0.0000000 0.0000000), wk = 0.0021368 k( 13) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0021368 k( 14) = ( 0.1354167 -0.0000000 0.0000000), wk = 0.0021368 k( 15) = ( 0.1458333 0.0000000 -0.0000000), wk = 0.0021368 k( 16) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0021368 k( 17) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0021368 k( 18) = ( 0.1770833 0.0000000 0.0000000), wk = 0.0021368 k( 19) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0021368 k( 20) = ( 0.1979167 -0.0000000 -0.0000000), wk = 0.0021368 k( 21) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0021368 k( 22) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0021368 k( 23) = ( 0.2291667 -0.0000000 0.0000000), wk = 0.0021368 k( 24) = ( 0.2395833 0.0000000 -0.0000000), wk = 0.0021368 k( 25) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0021368 k( 26) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0021368 k( 27) = ( 0.2708333 -0.0000000 0.0000000), wk = 0.0021368 k( 28) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0021368 k( 29) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0021368 k( 30) = ( 0.3020833 0.0000000 0.0000000), wk = 0.0021368 k( 31) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0021368 k( 32) = ( 0.3229167 0.0000000 0.0000000), wk = 0.0021368 k( 33) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0021368 k( 34) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0021368 k( 35) = ( 0.3541667 -0.0000000 0.0000000), wk = 0.0021368 k( 36) = ( 0.3645833 -0.0000000 -0.0000000), wk = 0.0021368 k( 37) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0021368 k( 38) = ( 0.3854167 0.0000000 0.0000000), wk = 0.0021368 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0021368 k( 40) = ( 0.4062500 -0.0000000 0.0000000), wk = 0.0021368 k( 41) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0021368 k( 42) = ( 0.4270833 -0.0000000 0.0000000), wk = 0.0021368 k( 43) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0021368 k( 44) = ( 0.4479167 -0.0000000 0.0000000), wk = 0.0021368 k( 45) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0021368 k( 46) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0021368 k( 47) = ( 0.4791667 0.0000000 -0.0000000), wk = 0.0021368 k( 48) = ( 0.4895833 -0.0000000 -0.0000000), wk = 0.0021368 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021368 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021368 k( 51) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0021368 k( 52) = ( 0.5000000 0.0270270 -0.0000000), wk = 0.0021368 k( 53) = ( 0.5000000 0.0405405 0.0000000), wk = 0.0021368 k( 54) = ( 0.5000000 0.0540540 0.0000000), wk = 0.0021368 k( 55) = ( 0.5000000 0.0675676 0.0000000), wk = 0.0021368 k( 56) = ( 0.5000000 0.0810811 0.0000000), wk = 0.0021368 k( 57) = ( 0.5000000 0.0945946 0.0000000), wk = 0.0021368 k( 58) = ( 0.5000000 0.1081081 -0.0000000), wk = 0.0021368 k( 59) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0021368 k( 60) = ( 0.5000000 0.1351351 0.0000000), wk = 0.0021368 k( 61) = ( 0.5000000 0.1486486 0.0000000), wk = 0.0021368 k( 62) = ( 0.5000000 0.1621622 -0.0000000), wk = 0.0021368 k( 63) = ( 0.5000000 0.1756757 0.0000000), wk = 0.0021368 k( 64) = ( 0.5000000 0.1891892 -0.0000000), wk = 0.0021368 k( 65) = ( 0.5000000 0.2027027 -0.0000000), wk = 0.0021368 k( 66) = ( 0.5000000 0.2162162 -0.0000000), wk = 0.0021368 k( 67) = ( 0.5000000 0.2297297 0.0000000), wk = 0.0021368 k( 68) = ( 0.5000000 0.2432432 0.0000000), wk = 0.0021368 k( 69) = ( 0.5000000 0.2567568 -0.0000000), wk = 0.0021368 k( 70) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0021368 k( 71) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0021368 k( 72) = ( 0.5000000 0.2972973 0.0000000), wk = 0.0021368 k( 73) = ( 0.5000000 0.3108108 0.0000000), wk = 0.0021368 k( 74) = ( 0.5000000 0.3243243 -0.0000000), wk = 0.0021368 k( 75) = ( 0.5000000 0.3378378 0.0000000), wk = 0.0021368 k( 76) = ( 0.5000000 0.3513513 0.0000000), wk = 0.0021368 k( 77) = ( 0.5000000 0.3648649 -0.0000000), wk = 0.0021368 k( 78) = ( 0.5000000 0.3783784 0.0000000), wk = 0.0021368 k( 79) = ( 0.5000000 0.3918919 0.0000000), wk = 0.0021368 k( 80) = ( 0.5000000 0.4054054 0.0000000), wk = 0.0021368 k( 81) = ( 0.5000000 0.4189189 0.0000000), wk = 0.0021368 k( 82) = ( 0.5000000 0.4324324 0.0000000), wk = 0.0021368 k( 83) = ( 0.5000000 0.4459459 0.0000000), wk = 0.0021368 k( 84) = ( 0.5000000 0.4594595 0.0000000), wk = 0.0021368 k( 85) = ( 0.5000000 0.4729730 -0.0000000), wk = 0.0021368 k( 86) = ( 0.5000000 0.4864865 0.0000000), wk = 0.0021368 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021368 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021368 k( 89) = ( 0.4895833 0.5000000 0.0000000), wk = 0.0021368 k( 90) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0021368 k( 91) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0021368 k( 92) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0021368 k( 93) = ( 0.4479167 0.5000000 0.0000000), wk = 0.0021368 k( 94) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0021368 k( 95) = ( 0.4270833 0.5000000 0.0000000), wk = 0.0021368 k( 96) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0021368 k( 97) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0021368 k( 98) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0021368 k( 99) = ( 0.3854167 0.5000000 0.0000000), wk = 0.0021368 k( 100) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0021368 k( 101) = ( 0.3645833 0.5000000 -0.0000000), wk = 0.0021368 k( 102) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0021368 k( 103) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0021368 k( 104) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0021368 k( 105) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0021368 k( 106) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0021368 k( 107) = ( 0.3020833 0.5000000 0.0000000), wk = 0.0021368 k( 108) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0021368 k( 109) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0021368 k( 110) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0021368 k( 111) = ( 0.2604167 0.5000000 0.0000000), wk = 0.0021368 k( 112) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0021368 k( 113) = ( 0.2395833 0.5000000 0.0000000), wk = 0.0021368 k( 114) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0021368 k( 115) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0021368 k( 116) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0021368 k( 117) = ( 0.1979167 0.5000000 0.0000000), wk = 0.0021368 k( 118) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0021368 k( 119) = ( 0.1770833 0.5000000 0.0000000), wk = 0.0021368 k( 120) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0021368 k( 121) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0021368 k( 122) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0021368 k( 123) = ( 0.1354167 0.5000000 0.0000000), wk = 0.0021368 k( 124) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0021368 k( 125) = ( 0.1145833 0.5000000 -0.0000000), wk = 0.0021368 k( 126) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0021368 k( 127) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0021368 k( 128) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0021368 k( 129) = ( 0.0729167 0.5000000 0.0000000), wk = 0.0021368 k( 130) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0021368 k( 131) = ( 0.0520833 0.5000000 -0.0000000), wk = 0.0021368 k( 132) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0021368 k( 133) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0021368 k( 134) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0021368 k( 135) = ( 0.0104167 0.5000000 0.0000000), wk = 0.0021368 k( 136) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021368 k( 137) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021368 k( 138) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0021368 k( 139) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0021368 k( 140) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0021368 k( 141) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0021368 k( 142) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0021368 k( 143) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0021368 k( 144) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0021368 k( 145) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0021368 k( 146) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0021368 k( 147) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0021368 k( 148) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0021368 k( 149) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0021368 k( 150) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0021368 k( 151) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0021368 k( 152) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0021368 k( 153) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0021368 k( 154) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0021368 k( 155) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0021368 k( 156) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0021368 k( 157) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0021368 k( 158) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0021368 k( 159) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0021368 k( 160) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0021368 k( 161) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0021368 k( 162) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0021368 k( 163) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0021368 k( 164) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0021368 k( 165) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0021368 k( 166) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0021368 k( 167) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0021368 k( 168) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0021368 k( 169) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0021368 k( 170) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0021368 k( 171) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0021368 k( 172) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0021368 k( 173) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0021368 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 176) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0021368 k( 177) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0021368 k( 178) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0021368 k( 179) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0021368 k( 180) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0021368 k( 181) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0021368 k( 182) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0021368 k( 183) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0021368 k( 184) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0021368 k( 185) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0021368 k( 186) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0021368 k( 187) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0021368 k( 188) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0021368 k( 189) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0021368 k( 190) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0021368 k( 191) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0021368 k( 192) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0021368 k( 193) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0021368 k( 194) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0021368 k( 195) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0021368 k( 196) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0021368 k( 197) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0021368 k( 198) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0021368 k( 199) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0021368 k( 200) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0021368 k( 201) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0021368 k( 202) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0021368 k( 203) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0021368 k( 204) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 205) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 206) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0021368 k( 207) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0021368 k( 208) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0021368 k( 209) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0021368 k( 210) = ( 0.0520833 -0.0000000 0.5000000), wk = 0.0021368 k( 211) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0021368 k( 212) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0021368 k( 213) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0021368 k( 214) = ( 0.0937500 -0.0000000 0.5000000), wk = 0.0021368 k( 215) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0021368 k( 216) = ( 0.1145833 -0.0000000 0.5000000), wk = 0.0021368 k( 217) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0021368 k( 218) = ( 0.1354167 -0.0000000 0.5000000), wk = 0.0021368 k( 219) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0021368 k( 220) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0021368 k( 221) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0021368 k( 222) = ( 0.1770833 0.0000000 0.5000000), wk = 0.0021368 k( 223) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0021368 k( 224) = ( 0.1979167 -0.0000000 0.5000000), wk = 0.0021368 k( 225) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0021368 k( 226) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0021368 k( 227) = ( 0.2291667 -0.0000000 0.5000000), wk = 0.0021368 k( 228) = ( 0.2395833 0.0000000 0.5000000), wk = 0.0021368 k( 229) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0021368 k( 230) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0021368 k( 231) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0021368 k( 232) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0021368 k( 233) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0021368 k( 234) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0021368 k( 235) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0021368 k( 236) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0021368 k( 237) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0021368 k( 238) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0021368 k( 239) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0021368 k( 240) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0021368 k( 241) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0021368 k( 242) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0021368 k( 243) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0021368 k( 244) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0021368 k( 245) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0021368 k( 246) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0021368 k( 247) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0021368 k( 248) = ( 0.4479167 -0.0000000 0.5000000), wk = 0.0021368 k( 249) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0021368 k( 250) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0021368 k( 251) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0021368 k( 252) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0021368 k( 253) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021368 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021368 k( 255) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0021368 k( 256) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0021368 k( 257) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0021368 k( 258) = ( 0.5000000 0.0540540 0.5000000), wk = 0.0021368 k( 259) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0021368 k( 260) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0021368 k( 261) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0021368 k( 262) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0021368 k( 263) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0021368 k( 264) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0021368 k( 265) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0021368 k( 266) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0021368 k( 267) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0021368 k( 268) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0021368 k( 269) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0021368 k( 270) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0021368 k( 271) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0021368 k( 272) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0021368 k( 273) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0021368 k( 274) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0021368 k( 275) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0021368 k( 276) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0021368 k( 277) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0021368 k( 278) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0021368 k( 279) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0021368 k( 280) = ( 0.5000000 0.3513513 0.5000000), wk = 0.0021368 k( 281) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0021368 k( 282) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0021368 k( 283) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0021368 k( 284) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0021368 k( 285) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0021368 k( 286) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0021368 k( 287) = ( 0.5000000 0.4459459 0.5000000), wk = 0.0021368 k( 288) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0021368 k( 289) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0021368 k( 290) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0021368 k( 291) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021368 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021368 k( 293) = ( 0.4895833 0.5000000 0.5000000), wk = 0.0021368 k( 294) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0021368 k( 295) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0021368 k( 296) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0021368 k( 297) = ( 0.4479167 0.5000000 0.5000000), wk = 0.0021368 k( 298) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0021368 k( 299) = ( 0.4270833 0.5000000 0.5000000), wk = 0.0021368 k( 300) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0021368 k( 301) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0021368 k( 302) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0021368 k( 303) = ( 0.3854167 0.5000000 0.5000000), wk = 0.0021368 k( 304) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0021368 k( 305) = ( 0.3645833 0.5000000 0.5000000), wk = 0.0021368 k( 306) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0021368 k( 307) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0021368 k( 308) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0021368 k( 309) = ( 0.3229167 0.5000000 0.5000000), wk = 0.0021368 k( 310) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0021368 k( 311) = ( 0.3020833 0.5000000 0.5000000), wk = 0.0021368 k( 312) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0021368 k( 313) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0021368 k( 314) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0021368 k( 315) = ( 0.2604167 0.5000000 0.5000000), wk = 0.0021368 k( 316) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0021368 k( 317) = ( 0.2395833 0.5000000 0.5000000), wk = 0.0021368 k( 318) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0021368 k( 319) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0021368 k( 320) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0021368 k( 321) = ( 0.1979167 0.5000000 0.5000000), wk = 0.0021368 k( 322) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0021368 k( 323) = ( 0.1770833 0.5000000 0.5000000), wk = 0.0021368 k( 324) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0021368 k( 325) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0021368 k( 326) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0021368 k( 327) = ( 0.1354167 0.5000000 0.5000000), wk = 0.0021368 k( 328) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0021368 k( 329) = ( 0.1145833 0.5000000 0.5000000), wk = 0.0021368 k( 330) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0021368 k( 331) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0021368 k( 332) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0021368 k( 333) = ( 0.0729167 0.5000000 0.5000000), wk = 0.0021368 k( 334) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0021368 k( 335) = ( 0.0520833 0.5000000 0.5000000), wk = 0.0021368 k( 336) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0021368 k( 337) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0021368 k( 338) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0021368 k( 339) = ( 0.0104167 0.5000000 0.5000000), wk = 0.0021368 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021368 k( 341) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021368 k( 342) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0021368 k( 343) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0021368 k( 344) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0021368 k( 345) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0021368 k( 346) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0021368 k( 347) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0021368 k( 348) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0021368 k( 349) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0021368 k( 350) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0021368 k( 351) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0021368 k( 352) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0021368 k( 353) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0021368 k( 354) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0021368 k( 355) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0021368 k( 356) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0021368 k( 357) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0021368 k( 358) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0021368 k( 359) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0021368 k( 360) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0021368 k( 361) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0021368 k( 362) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0021368 k( 363) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0021368 k( 364) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0021368 k( 365) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0021368 k( 366) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0021368 k( 367) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0021368 k( 368) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0021368 k( 369) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0021368 k( 370) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0021368 k( 371) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0021368 k( 372) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0021368 k( 373) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0021368 k( 374) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0021368 k( 375) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0021368 k( 376) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0021368 k( 377) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0021368 k( 378) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 379) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021368 k( 380) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0021368 k( 381) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0021368 k( 382) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0021368 k( 383) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0021368 k( 384) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0021368 k( 385) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0021368 k( 386) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0021368 k( 387) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0021368 k( 388) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0021368 k( 389) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0021368 k( 390) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0021368 k( 391) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0021368 k( 392) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0021368 k( 393) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0021368 k( 394) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0021368 k( 395) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0021368 k( 396) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0021368 k( 397) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0021368 k( 398) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0021368 k( 399) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0021368 k( 400) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0021368 k( 401) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0021368 k( 402) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0021368 k( 403) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0021368 k( 404) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0021368 k( 405) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0021368 k( 406) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0021368 k( 407) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0021368 k( 408) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021368 k( 409) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021368 k( 410) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0021368 k( 411) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0021368 k( 412) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0021368 k( 413) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0021368 k( 414) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0021368 k( 415) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0021368 k( 416) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0021368 k( 417) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0021368 k( 418) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0021368 k( 419) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0021368 k( 420) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0021368 k( 421) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0021368 k( 422) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0021368 k( 423) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0021368 k( 424) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0021368 k( 425) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0021368 k( 426) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0021368 k( 427) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0021368 k( 428) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0021368 k( 429) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0021368 k( 430) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0021368 k( 431) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0021368 k( 432) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0021368 k( 433) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0021368 k( 434) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0021368 k( 435) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0021368 k( 436) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0021368 k( 437) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0021368 k( 438) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021368 k( 439) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021368 k( 440) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0021368 k( 441) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0021368 k( 442) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0021368 k( 443) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0021368 k( 444) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0021368 k( 445) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0021368 k( 446) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0021368 k( 447) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0021368 k( 448) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0021368 k( 449) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0021368 k( 450) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0021368 k( 451) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0021368 k( 452) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0021368 k( 453) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0021368 k( 454) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0021368 k( 455) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0021368 k( 456) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0021368 k( 457) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0021368 k( 458) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0021368 k( 459) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0021368 k( 460) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0021368 k( 461) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0021368 k( 462) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0021368 k( 463) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0021368 k( 464) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0021368 k( 465) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0021368 k( 466) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0021368 k( 467) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0021368 k( 468) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021368 Dense grid: 52625 G-vectors FFT dimensions: ( 40, 48, 60) Smooth grid: 39633 G-vectors FFT dimensions: ( 36, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 308, 50) NL pseudopotentials 0.20 Mb ( 154, 84) Each V/rho on FFT grid 0.06 Mb ( 3840) Each G-vector array 0.01 Mb ( 1465) G-vector shells 0.01 Mb ( 751) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 308, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.13 Mb ( 84, 2, 50) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NaO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.5 secs Computing kpt #: 14 total cpu time spent up to now is 5.8 secs Computing kpt #: 15 total cpu time spent up to now is 6.2 secs Computing kpt #: 16 total cpu time spent up to now is 6.5 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.2 secs Computing kpt #: 19 total cpu time spent up to now is 7.5 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.9 secs Computing kpt #: 24 total cpu time spent up to now is 9.2 secs Computing kpt #: 25 total cpu time spent up to now is 9.5 secs Computing kpt #: 26 total cpu time spent up to now is 9.9 secs Computing kpt #: 27 total cpu time spent up to now is 10.2 secs Computing kpt #: 28 total cpu time spent up to now is 10.5 secs Computing kpt #: 29 total cpu time spent up to now is 10.9 secs Computing kpt #: 30 total cpu time spent up to now is 11.2 secs Computing kpt #: 31 total cpu time spent up to now is 11.5 secs Computing kpt #: 32 total cpu time spent up to now is 11.9 secs Computing kpt #: 33 total cpu time spent up to now is 12.2 secs Computing kpt #: 34 total cpu time spent up to now is 12.6 secs Computing kpt #: 35 total cpu time spent up to now is 12.9 secs Computing kpt #: 36 total cpu time spent up to now is 13.2 secs Computing kpt #: 37 total cpu time spent up to now is 13.6 secs Computing kpt #: 38 total cpu time spent up to now is 13.9 secs Computing kpt #: 39 total cpu time spent up to now is 14.3 secs Computing kpt #: 40 total cpu time spent up to now is 14.6 secs Computing kpt #: 41 total cpu time spent up to now is 15.0 secs Computing kpt #: 42 total cpu time spent up to now is 15.3 secs Computing kpt #: 43 total cpu time spent up to now is 15.7 secs Computing kpt #: 44 total cpu time spent up to now is 16.1 secs Computing kpt #: 45 total cpu time spent up to now is 16.4 secs Computing kpt #: 46 total cpu time spent up to now is 16.8 secs Computing kpt #: 47 total cpu time spent up to now is 17.2 secs Computing kpt #: 48 total cpu time spent up to now is 17.6 secs Computing kpt #: 49 total cpu time spent up to now is 17.9 secs Computing kpt #: 50 total cpu time spent up to now is 18.3 secs Computing kpt #: 51 total cpu time spent up to now is 18.8 secs Computing kpt #: 52 total cpu time spent up to now is 19.2 secs Computing kpt #: 53 total cpu time spent up to now is 19.6 secs Computing kpt #: 54 total cpu time spent up to now is 20.0 secs Computing kpt #: 55 total cpu time spent up to now is 20.5 secs Computing kpt #: 56 total cpu time spent up to now is 20.9 secs Computing kpt #: 57 total cpu time spent up to now is 21.3 secs Computing kpt #: 58 total cpu time spent up to now is 21.8 secs Computing kpt #: 59 total cpu time spent up to now is 22.2 secs Computing kpt #: 60 total cpu time spent up to now is 22.6 secs Computing kpt #: 61 total cpu time spent up to now is 23.1 secs Computing kpt #: 62 total cpu time spent up to now is 23.5 secs Computing kpt #: 63 total cpu time spent up to now is 23.9 secs Computing kpt #: 64 total cpu time spent up to now is 24.4 secs Computing kpt #: 65 total cpu time spent up to now is 24.8 secs Computing kpt #: 66 total cpu time spent up to now is 25.3 secs Computing kpt #: 67 total cpu time spent up to now is 25.7 secs Computing kpt #: 68 total cpu time spent up to now is 26.2 secs Computing kpt #: 69 total cpu time spent up to now is 26.7 secs Computing kpt #: 70 total cpu time spent up to now is 27.2 secs Computing kpt #: 71 total cpu time spent up to now is 27.6 secs Computing kpt #: 72 total cpu time spent up to now is 28.1 secs Computing kpt #: 73 total cpu time spent up to now is 28.6 secs Computing kpt #: 74 total cpu time spent up to now is 29.1 secs Computing kpt #: 75 total cpu time spent up to now is 29.6 secs Computing kpt #: 76 total cpu time spent up to now is 30.2 secs Computing kpt #: 77 total cpu time spent up to now is 30.7 secs Computing kpt #: 78 total cpu time spent up to now is 31.4 secs Computing kpt #: 79 total cpu time spent up to now is 32.1 secs Computing kpt #: 80 total cpu time spent up to now is 32.7 secs Computing kpt #: 81 total cpu time spent up to now is 33.2 secs Computing kpt #: 82 total cpu time spent up to now is 33.7 secs Computing kpt #: 83 total cpu time spent up to now is 34.2 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 35.7 secs Computing kpt #: 85 total cpu time spent up to now is 36.3 secs Computing kpt #: 86 total cpu time spent up to now is 36.8 secs Computing kpt #: 87 total cpu time spent up to now is 37.8 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 39.1 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 40.5 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 41.8 secs Computing kpt #: 91 total cpu time spent up to now is 42.9 secs Computing kpt #: 92 total cpu time spent up to now is 43.4 secs Computing kpt #: 93 total cpu time spent up to now is 44.5 secs Computing kpt #: 94 total cpu time spent up to now is 45.0 secs Computing kpt #: 95 total cpu time spent up to now is 45.4 secs Computing kpt #: 96 total cpu time spent up to now is 46.1 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.5 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.7 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.0 secs Computing kpt #: 100 total cpu time spent up to now is 50.7 secs Computing kpt #: 101 total cpu time spent up to now is 51.4 secs Computing kpt #: 102 total cpu time spent up to now is 52.0 secs Computing kpt #: 103 total cpu time spent up to now is 52.5 secs Computing kpt #: 104 total cpu time spent up to now is 53.0 secs Computing kpt #: 105 total cpu time spent up to now is 53.5 secs Computing kpt #: 106 total cpu time spent up to now is 54.0 secs Computing kpt #: 107 total cpu time spent up to now is 54.6 secs Computing kpt #: 108 total cpu time spent up to now is 55.1 secs Computing kpt #: 109 total cpu time spent up to now is 55.6 secs Computing kpt #: 110 total cpu time spent up to now is 56.1 secs Computing kpt #: 111 total cpu time spent up to now is 56.6 secs Computing kpt #: 112 total cpu time spent up to now is 57.2 secs Computing kpt #: 113 total cpu time spent up to now is 57.7 secs Computing kpt #: 114 total cpu time spent up to now is 58.3 secs Computing kpt #: 115 total cpu time spent up to now is 58.8 secs Computing kpt #: 116 total cpu time spent up to now is 59.4 secs Computing kpt #: 117 total cpu time spent up to now is 59.9 secs Computing kpt #: 118 total cpu time spent up to now is 60.5 secs Computing kpt #: 119 total cpu time spent up to now is 61.0 secs Computing kpt #: 120 total cpu time spent up to now is 61.5 secs Computing kpt #: 121 total cpu time spent up to now is 62.1 secs Computing kpt #: 122 total cpu time spent up to now is 62.6 secs Computing kpt #: 123 total cpu time spent up to now is 63.1 secs Computing kpt #: 124 total cpu time spent up to now is 63.7 secs Computing kpt #: 125 total cpu time spent up to now is 64.2 secs Computing kpt #: 126 total cpu time spent up to now is 64.7 secs Computing kpt #: 127 total cpu time spent up to now is 65.2 secs Computing kpt #: 128 total cpu time spent up to now is 65.8 secs Computing kpt #: 129 total cpu time spent up to now is 66.2 secs Computing kpt #: 130 total cpu time spent up to now is 66.7 secs Computing kpt #: 131 total cpu time spent up to now is 67.1 secs Computing kpt #: 132 total cpu time spent up to now is 67.4 secs Computing kpt #: 133 total cpu time spent up to now is 67.8 secs Computing kpt #: 134 total cpu time spent up to now is 68.2 secs Computing kpt #: 135 total cpu time spent up to now is 68.6 secs Computing kpt #: 136 total cpu time spent up to now is 68.9 secs Computing kpt #: 137 total cpu time spent up to now is 69.3 secs Computing kpt #: 138 total cpu time spent up to now is 69.8 secs Computing kpt #: 139 total cpu time spent up to now is 70.2 secs Computing kpt #: 140 total cpu time spent up to now is 70.6 secs Computing kpt #: 141 total cpu time spent up to now is 71.0 secs Computing kpt #: 142 total cpu time spent up to now is 71.4 secs Computing kpt #: 143 total cpu time spent up to now is 71.8 secs Computing kpt #: 144 total cpu time spent up to now is 72.2 secs Computing kpt #: 145 total cpu time spent up to now is 72.5 secs Computing kpt #: 146 total cpu time spent up to now is 72.9 secs Computing kpt #: 147 total cpu time spent up to now is 73.2 secs Computing kpt #: 148 total cpu time spent up to now is 73.6 secs Computing kpt #: 149 total cpu time spent up to now is 74.0 secs Computing kpt #: 150 total cpu time spent up to now is 74.3 secs Computing kpt #: 151 total cpu time spent up to now is 74.7 secs Computing kpt #: 152 total cpu time spent up to now is 75.0 secs Computing kpt #: 153 total cpu time spent up to now is 75.4 secs Computing kpt #: 154 total cpu time spent up to now is 75.7 secs Computing kpt #: 155 total cpu time spent up to now is 76.1 secs Computing kpt #: 156 total cpu time spent up to now is 76.4 secs Computing kpt #: 157 total cpu time spent up to now is 76.8 secs Computing kpt #: 158 total cpu time spent up to now is 77.1 secs Computing kpt #: 159 total cpu time spent up to now is 77.5 secs Computing kpt #: 160 total cpu time spent up to now is 77.8 secs Computing kpt #: 161 total cpu time spent up to now is 78.2 secs Computing kpt #: 162 total cpu time spent up to now is 78.5 secs Computing kpt #: 163 total cpu time spent up to now is 78.9 secs Computing kpt #: 164 total cpu time spent up to now is 79.3 secs Computing kpt #: 165 total cpu time spent up to now is 79.6 secs Computing kpt #: 166 total cpu time spent up to now is 80.0 secs Computing kpt #: 167 total cpu time spent up to now is 80.4 secs Computing kpt #: 168 total cpu time spent up to now is 80.7 secs Computing kpt #: 169 total cpu time spent up to now is 81.1 secs Computing kpt #: 170 total cpu time spent up to now is 81.5 secs Computing kpt #: 171 total cpu time spent up to now is 81.8 secs Computing kpt #: 172 total cpu time spent up to now is 82.2 secs Computing kpt #: 173 total cpu time spent up to now is 82.5 secs Computing kpt #: 174 total cpu time spent up to now is 82.9 secs Computing kpt #: 175 total cpu time spent up to now is 83.3 secs Computing kpt #: 176 total cpu time spent up to now is 83.6 secs Computing kpt #: 177 total cpu time spent up to now is 83.9 secs Computing kpt #: 178 total cpu time spent up to now is 84.3 secs Computing kpt #: 179 total cpu time spent up to now is 84.6 secs Computing kpt #: 180 total cpu time spent up to now is 85.0 secs Computing kpt #: 181 total cpu time spent up to now is 85.3 secs Computing kpt #: 182 total cpu time spent up to now is 85.7 secs Computing kpt #: 183 total cpu time spent up to now is 86.0 secs Computing kpt #: 184 total cpu time spent up to now is 86.5 secs Computing kpt #: 185 total cpu time spent up to now is 86.9 secs Computing kpt #: 186 total cpu time spent up to now is 87.3 secs Computing kpt #: 187 total cpu time spent up to now is 87.7 secs Computing kpt #: 188 total cpu time spent up to now is 88.1 secs Computing kpt #: 189 total cpu time spent up to now is 88.4 secs Computing kpt #: 190 total cpu time spent up to now is 88.8 secs Computing kpt #: 191 total cpu time spent up to now is 89.1 secs Computing kpt #: 192 total cpu time spent up to now is 89.5 secs Computing kpt #: 193 total cpu time spent up to now is 89.9 secs Computing kpt #: 194 total cpu time spent up to now is 90.2 secs Computing kpt #: 195 total cpu time spent up to now is 90.6 secs Computing kpt #: 196 total cpu time spent up to now is 90.9 secs Computing kpt #: 197 total cpu time spent up to now is 91.3 secs Computing kpt #: 198 total cpu time spent up to now is 91.7 secs Computing kpt #: 199 total cpu time spent up to now is 92.0 secs Computing kpt #: 200 total cpu time spent up to now is 92.4 secs Computing kpt #: 201 total cpu time spent up to now is 92.8 secs Computing kpt #: 202 total cpu time spent up to now is 93.2 secs Computing kpt #: 203 total cpu time spent up to now is 93.6 secs Computing kpt #: 204 total cpu time spent up to now is 94.0 secs Computing kpt #: 205 total cpu time spent up to now is 94.3 secs Computing kpt #: 206 total cpu time spent up to now is 94.7 secs Computing kpt #: 207 total cpu time spent up to now is 95.2 secs Computing kpt #: 208 total cpu time spent up to now is 95.6 secs Computing kpt #: 209 total cpu time spent up to now is 96.0 secs Computing kpt #: 210 total cpu time spent up to now is 96.5 secs Computing kpt #: 211 total cpu time spent up to now is 96.9 secs Computing kpt #: 212 total cpu time spent up to now is 97.3 secs Computing kpt #: 213 total cpu time spent up to now is 97.8 secs Computing kpt #: 214 total cpu time spent up to now is 98.2 secs Computing kpt #: 215 total cpu time spent up to now is 98.7 secs Computing kpt #: 216 total cpu time spent up to now is 99.1 secs Computing kpt #: 217 total cpu time spent up to now is 99.5 secs Computing kpt #: 218 total cpu time spent up to now is 100.0 secs Computing kpt #: 219 total cpu time spent up to now is 100.4 secs Computing kpt #: 220 total cpu time spent up to now is 100.8 secs Computing kpt #: 221 total cpu time spent up to now is 101.3 secs Computing kpt #: 222 total cpu time spent up to now is 101.7 secs Computing kpt #: 223 total cpu time spent up to now is 102.2 secs Computing kpt #: 224 total cpu time spent up to now is 102.6 secs Computing kpt #: 225 total cpu time spent up to now is 103.0 secs Computing kpt #: 226 total cpu time spent up to now is 103.5 secs Computing kpt #: 227 total cpu time spent up to now is 103.9 secs Computing kpt #: 228 total cpu time spent up to now is 104.3 secs Computing kpt #: 229 total cpu time spent up to now is 104.8 secs Computing kpt #: 230 total cpu time spent up to now is 105.2 secs Computing kpt #: 231 total cpu time spent up to now is 105.7 secs Computing kpt #: 232 total cpu time spent up to now is 106.1 secs Computing kpt #: 233 total cpu time spent up to now is 106.6 secs Computing kpt #: 234 total cpu time spent up to now is 107.0 secs Computing kpt #: 235 total cpu time spent up to now is 107.5 secs Computing kpt #: 236 total cpu time spent up to now is 108.0 secs Computing kpt #: 237 total cpu time spent up to now is 108.4 secs Computing kpt #: 238 total cpu time spent up to now is 108.8 secs Computing kpt #: 239 total cpu time spent up to now is 109.3 secs Computing kpt #: 240 total cpu time spent up to now is 109.7 secs Computing kpt #: 241 total cpu time spent up to now is 110.2 secs Computing kpt #: 242 total cpu time spent up to now is 110.6 secs Computing kpt #: 243 total cpu time spent up to now is 111.1 secs Computing kpt #: 244 total cpu time spent up to now is 111.5 secs Computing kpt #: 245 total cpu time spent up to now is 112.0 secs Computing kpt #: 246 total cpu time spent up to now is 112.4 secs Computing kpt #: 247 total cpu time spent up to now is 112.9 secs Computing kpt #: 248 total cpu time spent up to now is 113.3 secs Computing kpt #: 249 total cpu time spent up to now is 113.8 secs Computing kpt #: 250 total cpu time spent up to now is 114.3 secs Computing kpt #: 251 total cpu time spent up to now is 114.7 secs Computing kpt #: 252 total cpu time spent up to now is 115.2 secs Computing kpt #: 253 total cpu time spent up to now is 115.7 secs Computing kpt #: 254 total cpu time spent up to now is 116.2 secs Computing kpt #: 255 total cpu time spent up to now is 116.7 secs Computing kpt #: 256 total cpu time spent up to now is 117.2 secs Computing kpt #: 257 total cpu time spent up to now is 117.6 secs Computing kpt #: 258 total cpu time spent up to now is 118.2 secs Computing kpt #: 259 total cpu time spent up to now is 118.6 secs Computing kpt #: 260 total cpu time spent up to now is 119.1 secs Computing kpt #: 261 total cpu time spent up to now is 119.6 secs Computing kpt #: 262 total cpu time spent up to now is 120.0 secs Computing kpt #: 263 total cpu time spent up to now is 120.5 secs Computing kpt #: 264 total cpu time spent up to now is 121.0 secs Computing kpt #: 265 total cpu time spent up to now is 121.5 secs Computing kpt #: 266 total cpu time spent up to now is 122.0 secs Computing kpt #: 267 total cpu time spent up to now is 122.6 secs Computing kpt #: 268 total cpu time spent up to now is 123.1 secs Computing kpt #: 269 total cpu time spent up to now is 123.6 secs Computing kpt #: 270 total cpu time spent up to now is 124.1 secs Computing kpt #: 271 total cpu time spent up to now is 124.7 secs Computing kpt #: 272 total cpu time spent up to now is 125.4 secs Computing kpt #: 273 total cpu time spent up to now is 125.9 secs Computing kpt #: 274 total cpu time spent up to now is 126.3 secs Computing kpt #: 275 total cpu time spent up to now is 126.8 secs Computing kpt #: 276 total cpu time spent up to now is 127.3 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.9 secs Computing kpt #: 279 total cpu time spent up to now is 130.4 secs Computing kpt #: 280 total cpu time spent up to now is 130.9 secs Computing kpt #: 281 total cpu time spent up to now is 131.4 secs Computing kpt #: 282 total cpu time spent up to now is 132.5 secs Computing kpt #: 283 total cpu time spent up to now is 132.9 secs Computing kpt #: 284 total cpu time spent up to now is 133.4 secs Computing kpt #: 285 total cpu time spent up to now is 133.9 secs Computing kpt #: 286 total cpu time spent up to now is 134.4 secs Computing kpt #: 287 total cpu time spent up to now is 134.8 secs Computing kpt #: 288 total cpu time spent up to now is 135.3 secs Computing kpt #: 289 total cpu time spent up to now is 135.8 secs Computing kpt #: 290 total cpu time spent up to now is 136.2 secs Computing kpt #: 291 total cpu time spent up to now is 136.7 secs Computing kpt #: 292 total cpu time spent up to now is 137.1 secs Computing kpt #: 293 total cpu time spent up to now is 137.6 secs Computing kpt #: 294 total cpu time spent up to now is 138.1 secs Computing kpt #: 295 total cpu time spent up to now is 138.5 secs Computing kpt #: 296 total cpu time spent up to now is 139.0 secs Computing kpt #: 297 total cpu time spent up to now is 139.4 secs Computing kpt #: 298 total cpu time spent up to now is 139.9 secs Computing kpt #: 299 total cpu time spent up to now is 140.3 secs Computing kpt #: 300 total cpu time spent up to now is 140.7 secs Computing kpt #: 301 total cpu time spent up to now is 141.2 secs Computing kpt #: 302 total cpu time spent up to now is 141.6 secs Computing kpt #: 303 total cpu time spent up to now is 142.0 secs Computing kpt #: 304 total cpu time spent up to now is 142.5 secs Computing kpt #: 305 total cpu time spent up to now is 142.9 secs Computing kpt #: 306 total cpu time spent up to now is 143.3 secs Computing kpt #: 307 total cpu time spent up to now is 143.7 secs Computing kpt #: 308 total cpu time spent up to now is 144.2 secs Computing kpt #: 309 total cpu time spent up to now is 144.6 secs Computing kpt #: 310 total cpu time spent up to now is 145.0 secs Computing kpt #: 311 total cpu time spent up to now is 145.4 secs Computing kpt #: 312 total cpu time spent up to now is 145.8 secs Computing kpt #: 313 total cpu time spent up to now is 146.1 secs Computing kpt #: 314 total cpu time spent up to now is 146.5 secs Computing kpt #: 315 total cpu time spent up to now is 146.9 secs Computing kpt #: 316 total cpu time spent up to now is 147.3 secs Computing kpt #: 317 total cpu time spent up to now is 147.7 secs Computing kpt #: 318 total cpu time spent up to now is 148.0 secs Computing kpt #: 319 total cpu time spent up to now is 148.4 secs Computing kpt #: 320 total cpu time spent up to now is 148.8 secs Computing kpt #: 321 total cpu time spent up to now is 149.1 secs Computing kpt #: 322 total cpu time spent up to now is 149.5 secs Computing kpt #: 323 total cpu time spent up to now is 149.9 secs Computing kpt #: 324 total cpu time spent up to now is 150.2 secs Computing kpt #: 325 total cpu time spent up to now is 150.6 secs Computing kpt #: 326 total cpu time spent up to now is 150.9 secs Computing kpt #: 327 total cpu time spent up to now is 151.3 secs Computing kpt #: 328 total cpu time spent up to now is 151.6 secs Computing kpt #: 329 total cpu time spent up to now is 152.0 secs Computing kpt #: 330 total cpu time spent up to now is 152.3 secs Computing kpt #: 331 total cpu time spent up to now is 152.7 secs Computing kpt #: 332 total cpu time spent up to now is 153.0 secs Computing kpt #: 333 total cpu time spent up to now is 153.3 secs Computing kpt #: 334 total cpu time spent up to now is 153.7 secs Computing kpt #: 335 total cpu time spent up to now is 154.0 secs Computing kpt #: 336 total cpu time spent up to now is 154.3 secs Computing kpt #: 337 total cpu time spent up to now is 154.7 secs Computing kpt #: 338 total cpu time spent up to now is 155.0 secs Computing kpt #: 339 total cpu time spent up to now is 155.4 secs Computing kpt #: 340 total cpu time spent up to now is 155.7 secs Computing kpt #: 341 total cpu time spent up to now is 156.0 secs Computing kpt #: 342 total cpu time spent up to now is 156.4 secs Computing kpt #: 343 total cpu time spent up to now is 156.7 secs Computing kpt #: 344 total cpu time spent up to now is 157.1 secs Computing kpt #: 345 total cpu time spent up to now is 157.4 secs Computing kpt #: 346 total cpu time spent up to now is 157.8 secs Computing kpt #: 347 total cpu time spent up to now is 158.2 secs Computing kpt #: 348 total cpu time spent up to now is 158.5 secs Computing kpt #: 349 total cpu time spent up to now is 158.9 secs Computing kpt #: 350 total cpu time spent up to now is 159.2 secs Computing kpt #: 351 total cpu time spent up to now is 159.6 secs Computing kpt #: 352 total cpu time spent up to now is 160.0 secs Computing kpt #: 353 total cpu time spent up to now is 160.3 secs Computing kpt #: 354 total cpu time spent up to now is 160.7 secs Computing kpt #: 355 total cpu time spent up to now is 161.1 secs Computing kpt #: 356 total cpu time spent up to now is 161.4 secs Computing kpt #: 357 total cpu time spent up to now is 161.8 secs Computing kpt #: 358 total cpu time spent up to now is 162.2 secs Computing kpt #: 359 total cpu time spent up to now is 162.5 secs Computing kpt #: 360 total cpu time spent up to now is 162.9 secs Computing kpt #: 361 total cpu time spent up to now is 163.3 secs Computing kpt #: 362 total cpu time spent up to now is 163.6 secs Computing kpt #: 363 total cpu time spent up to now is 164.0 secs Computing kpt #: 364 total cpu time spent up to now is 164.4 secs Computing kpt #: 365 total cpu time spent up to now is 164.7 secs Computing kpt #: 366 total cpu time spent up to now is 165.1 secs Computing kpt #: 367 total cpu time spent up to now is 165.4 secs Computing kpt #: 368 total cpu time spent up to now is 165.8 secs Computing kpt #: 369 total cpu time spent up to now is 166.2 secs Computing kpt #: 370 total cpu time spent up to now is 166.5 secs Computing kpt #: 371 total cpu time spent up to now is 166.9 secs Computing kpt #: 372 total cpu time spent up to now is 167.3 secs Computing kpt #: 373 total cpu time spent up to now is 167.6 secs Computing kpt #: 374 total cpu time spent up to now is 168.0 secs Computing kpt #: 375 total cpu time spent up to now is 168.3 secs Computing kpt #: 376 total cpu time spent up to now is 168.7 secs Computing kpt #: 377 total cpu time spent up to now is 169.0 secs Computing kpt #: 378 total cpu time spent up to now is 169.4 secs Computing kpt #: 379 total cpu time spent up to now is 169.8 secs Computing kpt #: 380 total cpu time spent up to now is 170.2 secs Computing kpt #: 381 total cpu time spent up to now is 170.5 secs Computing kpt #: 382 total cpu time spent up to now is 170.9 secs Computing kpt #: 383 total cpu time spent up to now is 171.3 secs Computing kpt #: 384 total cpu time spent up to now is 171.7 secs Computing kpt #: 385 total cpu time spent up to now is 172.1 secs Computing kpt #: 386 total cpu time spent up to now is 172.4 secs Computing kpt #: 387 total cpu time spent up to now is 172.8 secs Computing kpt #: 388 total cpu time spent up to now is 173.2 secs Computing kpt #: 389 total cpu time spent up to now is 173.6 secs Computing kpt #: 390 total cpu time spent up to now is 173.9 secs Computing kpt #: 391 total cpu time spent up to now is 174.3 secs Computing kpt #: 392 total cpu time spent up to now is 174.7 secs Computing kpt #: 393 total cpu time spent up to now is 175.0 secs Computing kpt #: 394 total cpu time spent up to now is 175.4 secs Computing kpt #: 395 total cpu time spent up to now is 175.8 secs Computing kpt #: 396 total cpu time spent up to now is 176.1 secs Computing kpt #: 397 total cpu time spent up to now is 176.5 secs Computing kpt #: 398 total cpu time spent up to now is 176.9 secs Computing kpt #: 399 total cpu time spent up to now is 177.2 secs Computing kpt #: 400 total cpu time spent up to now is 177.6 secs Computing kpt #: 401 total cpu time spent up to now is 177.9 secs Computing kpt #: 402 total cpu time spent up to now is 178.3 secs Computing kpt #: 403 total cpu time spent up to now is 178.7 secs Computing kpt #: 404 total cpu time spent up to now is 179.0 secs Computing kpt #: 405 total cpu time spent up to now is 179.4 secs Computing kpt #: 406 total cpu time spent up to now is 179.7 secs Computing kpt #: 407 total cpu time spent up to now is 180.1 secs Computing kpt #: 408 total cpu time spent up to now is 180.4 secs Computing kpt #: 409 total cpu time spent up to now is 180.9 secs Computing kpt #: 410 total cpu time spent up to now is 181.3 secs Computing kpt #: 411 total cpu time spent up to now is 181.8 secs Computing kpt #: 412 total cpu time spent up to now is 182.3 secs Computing kpt #: 413 total cpu time spent up to now is 182.7 secs Computing kpt #: 414 total cpu time spent up to now is 183.2 secs Computing kpt #: 415 total cpu time spent up to now is 183.6 secs Computing kpt #: 416 total cpu time spent up to now is 184.1 secs Computing kpt #: 417 total cpu time spent up to now is 184.6 secs Computing kpt #: 418 total cpu time spent up to now is 185.0 secs Computing kpt #: 419 total cpu time spent up to now is 185.5 secs Computing kpt #: 420 total cpu time spent up to now is 186.0 secs Computing kpt #: 421 total cpu time spent up to now is 186.4 secs Computing kpt #: 422 total cpu time spent up to now is 186.8 secs Computing kpt #: 423 total cpu time spent up to now is 187.3 secs Computing kpt #: 424 total cpu time spent up to now is 187.7 secs Computing kpt #: 425 total cpu time spent up to now is 188.2 secs Computing kpt #: 426 total cpu time spent up to now is 188.7 secs Computing kpt #: 427 total cpu time spent up to now is 189.1 secs Computing kpt #: 428 total cpu time spent up to now is 189.5 secs Computing kpt #: 429 total cpu time spent up to now is 190.0 secs Computing kpt #: 430 total cpu time spent up to now is 190.4 secs Computing kpt #: 431 total cpu time spent up to now is 190.8 secs Computing kpt #: 432 total cpu time spent up to now is 191.3 secs Computing kpt #: 433 total cpu time spent up to now is 191.7 secs Computing kpt #: 434 total cpu time spent up to now is 192.2 secs Computing kpt #: 435 total cpu time spent up to now is 192.6 secs Computing kpt #: 436 total cpu time spent up to now is 193.0 secs Computing kpt #: 437 total cpu time spent up to now is 193.4 secs Computing kpt #: 438 total cpu time spent up to now is 193.7 secs Computing kpt #: 439 total cpu time spent up to now is 194.2 secs Computing kpt #: 440 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.6 secs Computing kpt #: 441 total cpu time spent up to now is 196.1 secs Computing kpt #: 442 total cpu time spent up to now is 196.6 secs Computing kpt #: 443 total cpu time spent up to now is 197.1 secs Computing kpt #: 444 total cpu time spent up to now is 197.6 secs Computing kpt #: 445 total cpu time spent up to now is 198.1 secs Computing kpt #: 446 total cpu time spent up to now is 198.6 secs Computing kpt #: 447 total cpu time spent up to now is 199.1 secs Computing kpt #: 448 total cpu time spent up to now is 199.6 secs Computing kpt #: 449 total cpu time spent up to now is 200.1 secs Computing kpt #: 450 total cpu time spent up to now is 200.5 secs Computing kpt #: 451 total cpu time spent up to now is 201.0 secs Computing kpt #: 452 total cpu time spent up to now is 201.5 secs Computing kpt #: 453 total cpu time spent up to now is 201.9 secs Computing kpt #: 454 total cpu time spent up to now is 202.4 secs Computing kpt #: 455 total cpu time spent up to now is 202.8 secs Computing kpt #: 456 total cpu time spent up to now is 203.3 secs Computing kpt #: 457 total cpu time spent up to now is 203.7 secs Computing kpt #: 458 total cpu time spent up to now is 204.2 secs Computing kpt #: 459 total cpu time spent up to now is 204.7 secs Computing kpt #: 460 total cpu time spent up to now is 205.1 secs Computing kpt #: 461 total cpu time spent up to now is 205.6 secs Computing kpt #: 462 total cpu time spent up to now is 206.1 secs Computing kpt #: 463 total cpu time spent up to now is 206.5 secs Computing kpt #: 464 total cpu time spent up to now is 207.0 secs Computing kpt #: 465 total cpu time spent up to now is 207.5 secs Computing kpt #: 466 total cpu time spent up to now is 207.9 secs Computing kpt #: 467 total cpu time spent up to now is 208.4 secs Computing kpt #: 468 total cpu time spent up to now is 208.8 secs ethr = 2.38E-08, avg # of iterations = 22.1 total cpu time spent up to now is 208.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4967 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5242 -20.5242 -20.4027 -20.4027 -19.2143 -19.2143 -19.1833 -19.1833 -19.0517 -19.0517 -19.0159 -19.0159 -19.0111 -19.0111 -18.9947 -18.9947 -11.0884 -11.0884 -10.9580 -10.9580 -3.9477 -3.9477 -3.3813 -3.3813 -2.4204 -2.4204 -2.1240 -2.1240 -2.0577 -2.0577 -1.7589 -1.7589 2.0679 2.0679 3.0054 3.0054 3.1324 3.1324 3.2651 3.2651 8.1104 8.1104 9.3283 9.3283 10.1406 10.1406 k = 0.0104-0.0000-0.0000 ( 4979 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5242 -20.5242 -20.4027 -20.4027 -19.2143 -19.2143 -19.1833 -19.1833 -19.0517 -19.0517 -19.0159 -19.0159 -19.0111 -19.0111 -18.9947 -18.9947 -11.0883 -11.0883 -10.9580 -10.9580 -3.9475 -3.9475 -3.3813 -3.3813 -2.4203 -2.4203 -2.1240 -2.1240 -2.0587 -2.0587 -1.7599 -1.7599 2.0683 2.0683 3.0053 3.0053 3.1317 3.1317 3.2643 3.2643 8.1122 8.1122 9.3286 9.3286 10.1405 10.1405 k = 0.0208-0.0000-0.0000 ( 4977 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5240 -20.5240 -20.4028 -20.4028 -19.2142 -19.2142 -19.1833 -19.1833 -19.0516 -19.0516 -19.0158 -19.0158 -19.0111 -19.0111 -18.9948 -18.9948 -11.0880 -11.0880 -10.9579 -10.9579 -3.9471 -3.9471 -3.3811 -3.3811 -2.4198 -2.4198 -2.1240 -2.1240 -2.0617 -2.0617 -1.7628 -1.7628 2.0697 2.0697 3.0052 3.0052 3.1297 3.1297 3.2622 3.2622 8.1178 8.1178 9.3295 9.3295 10.1402 10.1402 k = 0.0312-0.0000-0.0000 ( 4985 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5239 -20.5239 -20.4030 -20.4030 -19.2141 -19.2141 -19.1833 -19.1833 -19.0514 -19.0514 -19.0158 -19.0158 -19.0111 -19.0111 -18.9948 -18.9948 -11.0876 -11.0876 -10.9578 -10.9578 -3.9464 -3.9464 -3.3809 -3.3809 -2.4191 -2.4191 -2.1240 -2.1240 -2.0668 -2.0668 -1.7676 -1.7676 2.0720 2.0720 3.0049 3.0049 3.1264 3.1264 3.2586 3.2586 8.1270 8.1270 9.3310 9.3310 10.1398 10.1398 k = 0.0417-0.0000-0.0000 ( 4975 PWs) bands (ev): -47.1350 -47.1350 -47.1330 -47.1330 -20.5236 -20.5236 -20.4032 -20.4032 -19.2139 -19.2139 -19.1832 -19.1832 -19.0512 -19.0512 -19.0157 -19.0157 -19.0110 -19.0110 -18.9947 -18.9947 -11.0870 -11.0870 -10.9577 -10.9577 -3.9454 -3.9454 -3.3806 -3.3806 -2.4181 -2.4181 -2.1240 -2.1240 -2.0737 -2.0737 -1.7742 -1.7742 2.0752 2.0752 3.0046 3.0046 3.1219 3.1219 3.2536 3.2536 8.1400 8.1400 9.3330 9.3330 10.1392 10.1392 k = 0.0521-0.0000-0.0000 ( 4971 PWs) bands (ev): -47.1350 -47.1350 -47.1330 -47.1330 -20.5233 -20.5233 -20.4034 -20.4034 -19.2136 -19.2136 -19.1832 -19.1832 -19.0510 -19.0510 -19.0156 -19.0156 -19.0108 -19.0108 -18.9947 -18.9947 -11.0863 -11.0863 -10.9576 -10.9576 -3.9442 -3.9442 -3.3802 -3.3802 -2.4168 -2.4168 -2.1242 -2.1242 -2.0825 -2.0825 -1.7827 -1.7827 2.0793 2.0793 3.0041 3.0041 3.1161 3.1161 3.2472 3.2472 8.1565 8.1565 9.3357 9.3357 10.1383 10.1383 k = 0.0625-0.0000-0.0000 ( 4971 PWs) bands (ev): -47.1350 -47.1350 -47.1330 -47.1330 -20.5229 -20.5229 -20.4037 -20.4037 -19.2133 -19.2133 -19.1831 -19.1831 -19.0506 -19.0506 -19.0155 -19.0155 -19.0107 -19.0107 -18.9947 -18.9947 -11.0853 -11.0853 -10.9574 -10.9574 -3.9426 -3.9426 -3.3797 -3.3797 -2.4152 -2.4152 -2.1246 -2.1246 -2.0929 -2.0929 -1.7930 -1.7930 2.0842 2.0842 3.0035 3.0035 3.1091 3.1091 3.2395 3.2395 8.1766 8.1766 9.3389 9.3389 10.1372 10.1372 k = 0.0729-0.0000-0.0000 ( 4965 PWs) bands (ev): -47.1349 -47.1349 -47.1329 -47.1329 -20.5224 -20.5224 -20.4041 -20.4041 -19.2130 -19.2130 -19.1830 -19.1830 -19.0503 -19.0503 -19.0154 -19.0154 -19.0105 -19.0105 -18.9946 -18.9946 -11.0843 -11.0843 -10.9572 -10.9572 -3.9408 -3.9408 -3.3791 -3.3791 -2.4133 -2.4133 -2.1257 -2.1257 -2.1045 -2.1045 -1.8050 -1.8050 2.0901 2.0901 3.0028 3.0028 3.1009 3.1009 3.2305 3.2305 8.2003 8.2003 9.3426 9.3426 10.1360 10.1360 k = 0.0833-0.0000-0.0000 ( 4961 PWs) bands (ev): -47.1348 -47.1348 -47.1329 -47.1329 -20.5219 -20.5219 -20.4045 -20.4045 -19.2126 -19.2126 -19.1828 -19.1828 -19.0498 -19.0498 -19.0152 -19.0152 -19.0103 -19.0103 -18.9946 -18.9946 -11.0830 -11.0830 -10.9570 -10.9570 -3.9387 -3.9387 -3.3785 -3.3785 -2.4112 -2.4112 -2.1297 -2.1297 -2.1148 -2.1148 -1.8186 -1.8186 2.0968 2.0968 3.0019 3.0019 3.0916 3.0916 3.2202 3.2202 8.2274 8.2274 9.3470 9.3470 10.1345 10.1345 k = 0.0938-0.0000-0.0000 ( 4953 PWs) bands (ev): -47.1348 -47.1348 -47.1328 -47.1328 -20.5213 -20.5213 -20.4050 -20.4050 -19.2122 -19.2122 -19.1827 -19.1827 -19.0494 -19.0494 -19.0150 -19.0150 -19.0101 -19.0101 -18.9945 -18.9945 -11.0816 -11.0816 -10.9568 -10.9568 -3.9364 -3.9364 -3.3779 -3.3779 -2.4088 -2.4088 -2.1410 -2.1410 -2.1194 -2.1194 -1.8339 -1.8339 2.1043 2.1043 3.0009 3.0009 3.0812 3.0812 3.2087 3.2087 8.2579 8.2579 9.3518 9.3518 10.1327 10.1327 k = 0.1042-0.0000-0.0000 ( 4957 PWs) bands (ev): -47.1347 -47.1347 -47.1328 -47.1328 -20.5207 -20.5207 -20.4056 -20.4056 -19.2117 -19.2117 -19.1825 -19.1825 -19.0489 -19.0489 -19.0149 -19.0149 -19.0098 -19.0098 -18.9944 -18.9944 -11.0801 -11.0801 -10.9565 -10.9565 -3.9338 -3.9338 -3.3772 -3.3772 -2.4061 -2.4061 -2.1573 -2.1573 -2.1206 -2.1206 -1.8507 -1.8507 2.1127 2.1127 2.9997 2.9997 3.0698 3.0698 3.1961 3.1961 8.2917 8.2917 9.3571 9.3571 10.1307 10.1307 k = 0.1146-0.0000-0.0000 ( 4957 PWs) bands (ev): -47.1346 -47.1346 -47.1327 -47.1327 -20.5199 -20.5199 -20.4062 -20.4062 -19.2112 -19.2112 -19.1824 -19.1824 -19.0483 -19.0483 -19.0147 -19.0147 -19.0096 -19.0096 -18.9944 -18.9944 -11.0784 -11.0784 -10.9563 -10.9563 -3.9309 -3.9309 -3.3766 -3.3766 -2.4032 -2.4032 -2.1759 -2.1759 -2.1211 -2.1211 -1.8689 -1.8689 2.1218 2.1218 2.9983 2.9983 3.0576 3.0576 3.1823 3.1823 8.3287 8.3287 9.3629 9.3629 10.1284 10.1284 k = 0.1250-0.0000-0.0000 ( 4963 PWs) bands (ev): -47.1345 -47.1345 -47.1327 -47.1327 -20.5192 -20.5192 -20.4068 -20.4068 -19.2107 -19.2107 -19.1822 -19.1822 -19.0477 -19.0477 -19.0146 -19.0146 -19.0093 -19.0093 -18.9944 -18.9944 -11.0766 -11.0766 -10.9560 -10.9560 -3.9278 -3.9278 -3.3760 -3.3760 -2.4000 -2.4000 -2.1960 -2.1960 -2.1213 -2.1213 -1.8884 -1.8884 2.1318 2.1318 2.9965 2.9965 3.0445 3.0445 3.1675 3.1675 8.3688 8.3688 9.3692 9.3692 10.1259 10.1259 k = 0.1354-0.0000-0.0000 ( 4961 PWs) bands (ev): -47.1345 -47.1345 -47.1326 -47.1326 -20.5183 -20.5183 -20.4075 -20.4075 -19.2101 -19.2101 -19.1821 -19.1821 -19.0471 -19.0471 -19.0144 -19.0144 -19.0090 -19.0090 -18.9943 -18.9943 -11.0746 -11.0746 -10.9557 -10.9557 -3.9244 -3.9244 -3.3754 -3.3754 -2.3966 -2.3966 -2.2174 -2.2174 -2.1214 -2.1214 -1.9091 -1.9091 2.1425 2.1425 2.9942 2.9942 3.0309 3.0309 3.1518 3.1518 8.4119 8.4119 9.3759 9.3759 10.1230 10.1230 k = 0.1458-0.0000-0.0000 ( 4967 PWs) bands (ev): -47.1344 -47.1344 -47.1325 -47.1325 -20.5174 -20.5174 -20.4083 -20.4083 -19.2094 -19.2094 -19.1819 -19.1819 -19.0464 -19.0464 -19.0142 -19.0142 -19.0087 -19.0087 -18.9943 -18.9943 -11.0725 -11.0725 -10.9554 -10.9554 -3.9208 -3.9208 -3.3749 -3.3749 -2.3929 -2.3929 -2.2400 -2.2400 -2.1215 -2.1215 -1.9311 -1.9311 2.1539 2.1539 2.9910 2.9910 3.0173 3.0173 3.1351 3.1351 8.4580 8.4580 9.3830 9.3830 10.1199 10.1199 k = 0.1562-0.0000-0.0000 ( 4965 PWs) bands (ev): -47.1343 -47.1343 -47.1325 -47.1325 -20.5164 -20.5164 -20.4092 -20.4092 -19.2088 -19.2088 -19.1817 -19.1817 -19.0457 -19.0457 -19.0140 -19.0140 -19.0083 -19.0083 -18.9941 -18.9941 -11.0703 -11.0703 -10.9552 -10.9552 -3.9169 -3.9169 -3.3746 -3.3746 -2.3891 -2.3891 -2.2634 -2.2634 -2.1216 -2.1216 -1.9539 -1.9539 2.1660 2.1660 2.9855 2.9855 3.0051 3.0051 3.1177 3.1177 8.5069 8.5069 9.3906 9.3906 10.1163 10.1163 k = 0.1667-0.0000-0.0000 ( 4965 PWs) bands (ev): -47.1341 -47.1341 -47.1324 -47.1324 -20.5154 -20.5154 -20.4101 -20.4101 -19.2081 -19.2081 -19.1815 -19.1815 -19.0449 -19.0449 -19.0138 -19.0138 -19.0080 -19.0080 -18.9941 -18.9941 -11.0679 -11.0679 -10.9549 -10.9549 -3.9128 -3.9128 -3.3744 -3.3744 -2.3851 -2.3851 -2.2876 -2.2876 -2.1217 -2.1217 -1.9777 -1.9777 2.1788 2.1788 2.9751 2.9751 2.9969 2.9969 3.0996 3.0996 8.5585 8.5585 9.3986 9.3986 10.1125 10.1125 k = 0.1771-0.0000-0.0000 ( 4977 PWs) bands (ev): -47.1340 -47.1340 -47.1323 -47.1323 -20.5143 -20.5143 -20.4110 -20.4110 -19.2074 -19.2074 -19.1813 -19.1813 -19.0441 -19.0441 -19.0136 -19.0136 -19.0076 -19.0076 -18.9940 -18.9940 -11.0655 -11.0655 -10.9546 -10.9546 -3.9084 -3.9084 -3.3743 -3.3743 -2.3809 -2.3809 -2.3123 -2.3123 -2.1220 -2.1220 -2.0022 -2.0022 2.1923 2.1923 2.9607 2.9607 2.9920 2.9920 3.0808 3.0808 8.6126 8.6126 9.4069 9.4069 10.1082 10.1082 k = 0.1875-0.0000-0.0000 ( 4971 PWs) bands (ev): -47.1339 -47.1339 -47.1322 -47.1322 -20.5132 -20.5132 -20.4120 -20.4120 -19.2066 -19.2066 -19.1811 -19.1811 -19.0433 -19.0433 -19.0134 -19.0134 -19.0072 -19.0072 -18.9939 -18.9939 -11.0629 -11.0629 -10.9544 -10.9544 -3.9038 -3.9038 -3.3745 -3.3745 -2.3769 -2.3769 -2.3372 -2.3372 -2.1223 -2.1223 -2.0274 -2.0274 2.2063 2.2063 2.9444 2.9444 2.9882 2.9882 3.0616 3.0616 8.6693 8.6693 9.4156 9.4156 10.1036 10.1036 k = 0.1979-0.0000-0.0000 ( 4975 PWs) bands (ev): -47.1338 -47.1338 -47.1322 -47.1322 -20.5120 -20.5120 -20.4131 -20.4131 -19.2058 -19.2058 -19.1809 -19.1809 -19.0424 -19.0424 -19.0132 -19.0132 -19.0068 -19.0068 -18.9938 -18.9938 -11.0603 -11.0603 -10.9541 -10.9541 -3.8990 -3.8990 -3.3750 -3.3750 -2.3753 -2.3753 -2.3597 -2.3597 -2.1228 -2.1228 -2.0531 -2.0531 2.2210 2.2210 2.9272 2.9272 2.9846 2.9846 3.0419 3.0419 8.7284 8.7284 9.4246 9.4246 10.0986 10.0986 k = 0.2083-0.0000-0.0000 ( 4959 PWs) bands (ev): -47.1337 -47.1337 -47.1321 -47.1321 -20.5108 -20.5108 -20.4142 -20.4142 -19.2050 -19.2050 -19.1806 -19.1806 -19.0415 -19.0415 -19.0129 -19.0129 -19.0062 -19.0062 -18.9937 -18.9937 -11.0575 -11.0575 -10.9539 -10.9539 -3.8939 -3.8939 -3.3758 -3.3758 -2.3920 -2.3920 -2.3639 -2.3639 -2.1236 -2.1236 -2.0789 -2.0789 2.2362 2.2362 2.9096 2.9096 2.9806 2.9806 3.0221 3.0221 8.7897 8.7897 9.4340 9.4340 10.0932 10.0932 k = 0.2188-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1335 -47.1335 -47.1320 -47.1320 -20.5095 -20.5095 -20.4154 -20.4154 -19.2041 -19.2041 -19.1804 -19.1804 -19.0406 -19.0406 -19.0127 -19.0127 -19.0058 -19.0058 -18.9935 -18.9935 -11.0547 -11.0547 -10.9537 -10.9537 -3.8887 -3.8887 -3.3769 -3.3769 -2.4169 -2.4169 -2.3598 -2.3598 -2.1258 -2.1258 -2.1039 -2.1039 2.2519 2.2519 2.8917 2.8917 2.9759 2.9759 3.0027 3.0027 8.8533 8.8533 9.4436 9.4436 10.0873 10.0873 k = 0.2292-0.0000-0.0000 ( 4956 PWs) bands (ev): -47.1334 -47.1334 -47.1319 -47.1319 -20.5082 -20.5082 -20.4166 -20.4166 -19.2033 -19.2033 -19.1802 -19.1802 -19.0397 -19.0397 -19.0125 -19.0125 -19.0053 -19.0053 -18.9934 -18.9934 -11.0518 -11.0518 -10.9535 -10.9535 -3.8831 -3.8831 -3.3785 -3.3785 -2.4422 -2.4422 -2.3548 -2.3548 -2.1379 -2.1379 -2.1193 -2.1193 2.2680 2.2680 2.8735 2.8735 2.9684 2.9684 2.9856 2.9856 8.9189 8.9189 9.4536 9.4536 10.0810 10.0810 k = 0.2396-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1333 -47.1333 -47.1318 -47.1318 -20.5068 -20.5068 -20.4179 -20.4179 -19.2024 -19.2024 -19.1799 -19.1799 -19.0387 -19.0387 -19.0123 -19.0123 -19.0048 -19.0048 -18.9933 -18.9933 -11.0488 -11.0488 -10.9534 -10.9534 -3.8774 -3.8774 -3.3805 -3.3805 -2.4674 -2.4674 -2.3494 -2.3494 -2.1626 -2.1626 -2.1224 -2.1224 2.2846 2.2846 2.8553 2.8553 2.9538 2.9538 2.9750 2.9750 8.9864 8.9864 9.4638 9.4638 10.0743 10.0743 k = 0.2500-0.0000-0.0000 ( 4952 PWs) bands (ev): -47.1332 -47.1332 -47.1317 -47.1317 -20.5054 -20.5054 -20.4193 -20.4193 -19.2015 -19.2015 -19.1797 -19.1797 -19.0377 -19.0377 -19.0121 -19.0121 -19.0042 -19.0042 -18.9932 -18.9932 -11.0457 -11.0457 -10.9533 -10.9533 -3.8714 -3.8714 -3.3831 -3.3831 -2.4922 -2.4922 -2.3439 -2.3439 -2.1891 -2.1891 -2.1238 -2.1238 2.3016 2.3016 2.8371 2.8371 2.9347 2.9347 2.9687 2.9687 9.0558 9.0558 9.4743 9.4743 10.0672 10.0672 k = 0.2604-0.0000-0.0000 ( 4964 PWs) bands (ev): -47.1330 -47.1330 -47.1317 -47.1317 -20.5039 -20.5039 -20.4207 -20.4207 -19.2007 -19.2007 -19.1796 -19.1796 -19.0368 -19.0368 -19.0119 -19.0119 -19.0037 -19.0037 -18.9931 -18.9931 -11.0426 -11.0426 -10.9533 -10.9533 -3.8652 -3.8652 -3.3863 -3.3863 -2.5163 -2.5163 -2.3383 -2.3383 -2.2160 -2.2160 -2.1250 -2.1250 2.3190 2.3190 2.8191 2.8191 2.9144 2.9144 2.9632 2.9632 9.1270 9.1270 9.4850 9.4850 10.0595 10.0595 k = 0.2708-0.0000-0.0000 ( 4956 PWs) bands (ev): -47.1329 -47.1329 -47.1316 -47.1316 -20.5024 -20.5024 -20.4221 -20.4221 -19.1997 -19.1997 -19.1794 -19.1794 -19.0358 -19.0358 -19.0117 -19.0117 -19.0032 -19.0032 -18.9929 -18.9929 -11.0395 -11.0395 -10.9533 -10.9533 -3.8587 -3.8587 -3.3901 -3.3901 -2.5396 -2.5396 -2.3326 -2.3326 -2.2428 -2.2428 -2.1262 -2.1262 2.3367 2.3367 2.8013 2.8013 2.8939 2.8939 2.9578 2.9578 9.1999 9.1999 9.4960 9.4960 10.0515 10.0515 k = 0.2812-0.0000-0.0000 ( 4956 PWs) bands (ev): -47.1328 -47.1328 -47.1315 -47.1315 -20.5009 -20.5009 -20.4236 -20.4236 -19.1988 -19.1988 -19.1792 -19.1792 -19.0348 -19.0348 -19.0116 -19.0116 -19.0026 -19.0026 -18.9928 -18.9928 -11.0364 -11.0364 -10.9534 -10.9534 -3.8520 -3.8520 -3.3947 -3.3947 -2.5618 -2.5618 -2.3269 -2.3269 -2.2692 -2.2692 -2.1275 -2.1275 2.3546 2.3546 2.7838 2.7838 2.8734 2.8734 2.9521 2.9521 9.2743 9.2743 9.5073 9.5073 10.0429 10.0429 k = 0.2917-0.0000-0.0000 ( 4952 PWs) bands (ev): -47.1326 -47.1326 -47.1314 -47.1314 -20.4993 -20.4993 -20.4252 -20.4252 -19.1978 -19.1978 -19.1791 -19.1791 -19.0338 -19.0338 -19.0115 -19.0115 -19.0020 -19.0020 -18.9927 -18.9927 -11.0332 -11.0332 -10.9536 -10.9536 -3.8451 -3.8451 -3.3999 -3.3999 -2.5830 -2.5830 -2.3218 -2.3218 -2.2947 -2.2947 -2.1290 -2.1290 2.3728 2.3728 2.7667 2.7667 2.8531 2.8531 2.9461 2.9461 9.3502 9.3502 9.5187 9.5187 10.0339 10.0339 k = 0.3021-0.0000-0.0000 ( 4952 PWs) bands (ev): -47.1325 -47.1325 -47.1313 -47.1313 -20.4977 -20.4977 -20.4268 -20.4268 -19.1969 -19.1969 -19.1790 -19.1790 -19.0327 -19.0327 -19.0114 -19.0114 -19.0015 -19.0015 -18.9926 -18.9926 -11.0299 -11.0299 -10.9538 -10.9538 -3.8378 -3.8378 -3.4060 -3.4060 -2.6029 -2.6029 -2.3262 -2.3262 -2.3102 -2.3102 -2.1306 -2.1306 2.3912 2.3912 2.7501 2.7501 2.8331 2.8331 2.9397 2.9397 9.4275 9.4275 9.5304 9.5304 10.0245 10.0245 k = 0.3125-0.0000-0.0000 ( 4960 PWs) bands (ev): -47.1324 -47.1324 -47.1312 -47.1312 -20.4961 -20.4961 -20.4284 -20.4284 -19.1959 -19.1959 -19.1789 -19.1789 -19.0317 -19.0317 -19.0114 -19.0114 -19.0010 -19.0010 -18.9925 -18.9925 -11.0267 -11.0267 -10.9541 -10.9541 -3.8303 -3.8303 -3.4129 -3.4129 -2.6215 -2.6215 -2.3494 -2.3494 -2.3065 -2.3065 -2.1323 -2.1323 2.4098 2.4098 2.7340 2.7340 2.8135 2.8135 2.9330 2.9330 9.5060 9.5060 9.5424 9.5424 10.0146 10.0146 k = 0.3229-0.0000-0.0000 ( 4960 PWs) bands (ev): -47.1323 -47.1323 -47.1312 -47.1312 -20.4944 -20.4944 -20.4301 -20.4301 -19.1950 -19.1950 -19.1788 -19.1788 -19.0307 -19.0307 -19.0113 -19.0113 -19.0004 -19.0004 -18.9924 -18.9924 -11.0235 -11.0235 -10.9544 -10.9544 -3.8225 -3.8225 -3.4206 -3.4206 -2.6385 -2.6385 -2.3742 -2.3742 -2.3006 -2.3006 -2.1343 -2.1343 2.4285 2.4285 2.7185 2.7185 2.7944 2.7944 2.9258 2.9258 9.5541 9.5541 9.5862 9.5862 10.0044 10.0044 k = 0.3333-0.0000-0.0000 ( 4956 PWs) bands (ev): -47.1321 -47.1321 -47.1311 -47.1311 -20.4927 -20.4927 -20.4318 -20.4318 -19.1941 -19.1941 -19.1787 -19.1787 -19.0297 -19.0297 -19.0113 -19.0113 -18.9999 -18.9999 -18.9923 -18.9923 -11.0203 -11.0203 -10.9549 -10.9549 -3.8144 -3.8144 -3.4292 -3.4292 -2.6540 -2.6540 -2.3987 -2.3987 -2.2945 -2.2945 -2.1364 -2.1364 2.4472 2.4472 2.7037 2.7037 2.7758 2.7758 2.9183 2.9183 9.5665 9.5665 9.6671 9.6671 9.9937 9.9937 k = 0.3438-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1320 -47.1320 -47.1311 -47.1311 -20.4910 -20.4910 -20.4335 -20.4335 -19.1932 -19.1932 -19.1787 -19.1787 -19.0287 -19.0287 -19.0113 -19.0113 -18.9993 -18.9993 -18.9922 -18.9922 -11.0171 -11.0171 -10.9554 -10.9554 -3.8060 -3.8060 -3.4386 -3.4386 -2.6678 -2.6678 -2.4226 -2.4226 -2.2881 -2.2881 -2.1387 -2.1387 2.4660 2.4660 2.6896 2.6896 2.7579 2.7579 2.9102 2.9102 9.5790 9.5790 9.7492 9.7492 9.9826 9.9826 k = 0.3542-0.0000-0.0000 ( 4950 PWs) bands (ev): -47.1319 -47.1319 -47.1310 -47.1310 -20.4892 -20.4892 -20.4353 -20.4353 -19.1923 -19.1923 -19.1786 -19.1786 -19.0277 -19.0277 -19.0114 -19.0114 -18.9987 -18.9987 -18.9921 -18.9921 -11.0139 -11.0139 -10.9560 -10.9560 -3.7973 -3.7973 -3.4488 -3.4488 -2.6799 -2.6799 -2.4459 -2.4459 -2.2818 -2.2818 -2.1411 -2.1411 2.4848 2.4848 2.6763 2.6763 2.7407 2.7407 2.9017 2.9017 9.5917 9.5917 9.8322 9.8322 9.9712 9.9712 k = 0.3646-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1318 -47.1318 -47.1309 -47.1309 -20.4875 -20.4875 -20.4371 -20.4371 -19.1914 -19.1914 -19.1787 -19.1787 -19.0267 -19.0267 -19.0115 -19.0115 -18.9982 -18.9982 -18.9920 -18.9920 -11.0108 -11.0108 -10.9568 -10.9568 -3.7883 -3.7883 -3.4598 -3.4598 -2.6904 -2.6904 -2.4686 -2.4686 -2.2754 -2.2754 -2.1438 -2.1438 2.5035 2.5035 2.6639 2.6639 2.7241 2.7241 2.8928 2.8928 9.6045 9.6045 9.9161 9.9161 9.9595 9.9595 k = 0.3750-0.0000-0.0000 ( 4950 PWs) bands (ev): -47.1317 -47.1317 -47.1309 -47.1309 -20.4856 -20.4856 -20.4390 -20.4390 -19.1905 -19.1905 -19.1787 -19.1787 -19.0257 -19.0257 -19.0116 -19.0116 -18.9977 -18.9977 -18.9920 -18.9920 -11.0076 -11.0076 -10.9576 -10.9576 -3.7789 -3.7789 -3.4714 -3.4714 -2.6990 -2.6990 -2.4904 -2.4904 -2.2689 -2.2689 -2.1467 -2.1467 2.5222 2.5222 2.6524 2.6524 2.7085 2.7085 2.8833 2.8833 9.6175 9.6175 9.9468 9.9468 10.0015 10.0015 k = 0.3854-0.0000-0.0000 ( 4946 PWs) bands (ev): -47.1315 -47.1315 -47.1309 -47.1309 -20.4838 -20.4838 -20.4408 -20.4408 -19.1896 -19.1896 -19.1788 -19.1788 -19.0248 -19.0248 -19.0117 -19.0117 -18.9972 -18.9972 -18.9919 -18.9919 -11.0046 -11.0046 -10.9585 -10.9585 -3.7692 -3.7692 -3.4838 -3.4838 -2.7060 -2.7060 -2.5115 -2.5115 -2.2625 -2.2625 -2.1498 -2.1498 2.5407 2.5407 2.6419 2.6419 2.6936 2.6936 2.8734 2.8734 9.6307 9.6307 9.9345 9.9345 10.0870 10.0870 k = 0.3958-0.0000-0.0000 ( 4944 PWs) bands (ev): -47.1314 -47.1314 -47.1308 -47.1308 -20.4819 -20.4819 -20.4427 -20.4427 -19.1888 -19.1888 -19.1788 -19.1788 -19.0239 -19.0239 -19.0119 -19.0119 -18.9967 -18.9967 -18.9919 -18.9919 -11.0016 -11.0016 -10.9595 -10.9595 -3.7591 -3.7591 -3.4967 -3.4967 -2.7113 -2.7113 -2.5317 -2.5317 -2.2562 -2.2562 -2.1531 -2.1531 2.5589 2.5589 2.6326 2.6326 2.6798 2.6798 2.8630 2.8630 9.6440 9.6440 9.9217 9.9217 10.1733 10.1733 k = 0.4062-0.0000-0.0000 ( 4942 PWs) bands (ev): -47.1314 -47.1314 -47.1308 -47.1308 -20.4801 -20.4801 -20.4447 -20.4447 -19.1880 -19.1880 -19.1790 -19.1790 -19.0229 -19.0229 -19.0122 -19.0122 -18.9962 -18.9962 -18.9919 -18.9919 -10.9986 -10.9986 -10.9606 -10.9606 -3.7486 -3.7486 -3.5100 -3.5100 -2.7149 -2.7149 -2.5511 -2.5511 -2.2499 -2.2499 -2.1566 -2.1566 2.5766 2.5766 2.6244 2.6244 2.6670 2.6670 2.8521 2.8521 9.6575 9.6575 9.9087 9.9087 10.2603 10.2603 k = 0.4167-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1313 -47.1313 -47.1308 -47.1308 -20.4782 -20.4782 -20.4466 -20.4466 -19.1872 -19.1872 -19.1792 -19.1792 -19.0221 -19.0221 -19.0125 -19.0125 -18.9958 -18.9958 -18.9920 -18.9920 -10.9957 -10.9957 -10.9618 -10.9618 -3.7378 -3.7378 -3.5238 -3.5238 -2.7169 -2.7169 -2.5695 -2.5695 -2.2436 -2.2436 -2.1603 -2.1603 2.5932 2.5932 2.6179 2.6179 2.6554 2.6554 2.8407 2.8407 9.6711 9.6711 9.8954 9.8954 10.3479 10.3479 k = 0.4271-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1312 -47.1312 -47.1307 -47.1307 -20.4763 -20.4763 -20.4486 -20.4486 -19.1865 -19.1865 -19.1795 -19.1795 -19.0212 -19.0212 -19.0128 -19.0128 -18.9954 -18.9954 -18.9920 -18.9920 -10.9929 -10.9929 -10.9632 -10.9632 -3.7266 -3.7266 -3.5379 -3.5379 -2.7174 -2.7174 -2.5870 -2.5870 -2.2374 -2.2374 -2.1642 -2.1642 2.6036 2.6036 2.6177 2.6177 2.6457 2.6457 2.8288 2.8288 9.6849 9.6849 9.8819 9.8819 10.4359 10.4359 k = 0.4375-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1311 -47.1311 -47.1307 -47.1307 -20.4743 -20.4743 -20.4505 -20.4505 -19.1857 -19.1857 -19.1797 -19.1797 -19.0204 -19.0204 -19.0131 -19.0131 -18.9950 -18.9950 -18.9921 -18.9921 -10.9902 -10.9902 -10.9646 -10.9646 -3.7150 -3.7150 -3.5522 -3.5522 -2.7163 -2.7163 -2.6036 -2.6036 -2.2313 -2.2313 -2.1683 -2.1683 2.6022 2.6022 2.6249 2.6249 2.6423 2.6423 2.8165 2.8165 9.6988 9.6988 9.8682 9.8682 10.5244 10.5244 k = 0.4479-0.0000-0.0000 ( 4954 PWs) bands (ev): -47.1310 -47.1310 -47.1307 -47.1307 -20.4724 -20.4724 -20.4525 -20.4525 -19.1850 -19.1850 -19.1800 -19.1800 -19.0196 -19.0196 -19.0135 -19.0135 -18.9946 -18.9946 -18.9922 -18.9922 -10.9875 -10.9875 -10.9662 -10.9662 -3.7030 -3.7030 -3.5666 -3.5666 -2.7138 -2.7138 -2.6192 -2.6192 -2.2253 -2.2253 -2.1727 -2.1727 2.5988 2.5988 2.6215 2.6215 2.6535 2.6535 2.8036 2.8036 9.7127 9.7127 9.8543 9.8543 10.6132 10.6132 k = 0.4583-0.0000-0.0000 ( 4956 PWs) bands (ev): -47.1310 -47.1310 -47.1307 -47.1307 -20.4704 -20.4704 -20.4545 -20.4545 -19.1844 -19.1844 -19.1804 -19.1804 -19.0188 -19.0188 -19.0140 -19.0140 -18.9942 -18.9942 -18.9923 -18.9923 -10.9849 -10.9849 -10.9678 -10.9678 -3.6907 -3.6907 -3.5810 -3.5810 -2.7098 -2.7098 -2.6337 -2.6337 -2.2194 -2.2194 -2.1772 -2.1772 2.5961 2.5961 2.6149 2.6149 2.6691 2.6691 2.7903 2.7903 9.7268 9.7268 9.8404 9.8404 10.7023 10.7023 k = 0.4688-0.0000-0.0000 ( 4956 PWs) bands (ev): -47.1309 -47.1309 -47.1307 -47.1307 -20.4685 -20.4685 -20.4565 -20.4565 -19.1837 -19.1837 -19.1807 -19.1807 -19.0181 -19.0181 -19.0145 -19.0145 -18.9939 -18.9939 -18.9925 -18.9925 -10.9824 -10.9824 -10.9696 -10.9696 -3.6780 -3.6780 -3.5954 -3.5954 -2.7046 -2.7046 -2.6472 -2.6472 -2.2136 -2.2136 -2.1819 -2.1819 2.5945 2.5945 2.6087 2.6087 2.6853 2.6853 2.7765 2.7765 9.7409 9.7409 9.8263 9.8263 10.7915 10.7915 k = 0.4792-0.0000-0.0000 ( 4952 PWs) bands (ev): -47.1309 -47.1309 -47.1307 -47.1307 -20.4665 -20.4665 -20.4585 -20.4585 -19.1831 -19.1831 -19.1811 -19.1811 -19.0174 -19.0174 -19.0150 -19.0150 -18.9935 -18.9935 -18.9926 -18.9926 -10.9800 -10.9800 -10.9715 -10.9715 -3.6649 -3.6649 -3.6097 -3.6097 -2.6980 -2.6980 -2.6596 -2.6596 -2.2079 -2.2079 -2.1867 -2.1867 2.5940 2.5940 2.6036 2.6036 2.7013 2.7013 2.7623 2.7623 9.7551 9.7551 9.8121 9.8121 10.8808 10.8808 k = 0.4896-0.0000-0.0000 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4645 -20.4645 -20.4605 -20.4605 -19.1826 -19.1826 -19.1816 -19.1816 -19.0167 -19.0167 -19.0155 -19.0155 -18.9933 -18.9933 -18.9928 -18.9928 -10.9777 -10.9777 -10.9735 -10.9735 -3.6515 -3.6515 -3.6239 -3.6239 -2.6902 -2.6902 -2.6710 -2.6710 -2.2024 -2.2024 -2.1918 -2.1918 2.5946 2.5946 2.5994 2.5994 2.7171 2.7171 2.7476 2.7476 9.7694 9.7694 9.7979 9.7979 10.9701 10.9701 k = 0.5000-0.0000-0.0000 ( 4936 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4625 -20.4625 -20.4625 -20.4625 -19.1820 -19.1820 -19.1820 -19.1820 -19.0161 -19.0161 -19.0161 -19.0161 -18.9930 -18.9930 -18.9930 -18.9930 -10.9755 -10.9755 -10.9755 -10.9755 -3.6378 -3.6378 -3.6378 -3.6378 -2.6811 -2.6811 -2.6811 -2.6811 -2.1970 -2.1970 -2.1970 -2.1970 2.5965 2.5965 2.5965 2.5965 2.7326 2.7326 2.7326 2.7326 9.7836 9.7836 9.7836 9.7836 11.0592 11.0592 k = 0.5000-0.0000-0.0000 ( 4936 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4625 -20.4625 -20.4625 -20.4625 -19.1820 -19.1820 -19.1820 -19.1820 -19.0161 -19.0161 -19.0161 -19.0161 -18.9930 -18.9930 -18.9930 -18.9930 -10.9755 -10.9755 -10.9755 -10.9755 -3.6378 -3.6378 -3.6378 -3.6378 -2.6811 -2.6811 -2.6811 -2.6811 -2.1970 -2.1970 -2.1970 -2.1970 2.5965 2.5965 2.5965 2.5965 2.7326 2.7326 2.7326 2.7326 9.7836 9.7836 9.7836 9.7836 11.0592 11.0592 k = 0.5000 0.0105-0.0000 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4624 -20.4624 -20.4624 -20.4624 -19.1824 -19.1824 -19.1818 -19.1818 -19.0163 -19.0163 -19.0159 -19.0159 -18.9932 -18.9932 -18.9930 -18.9930 -10.9756 -10.9756 -10.9755 -10.9755 -3.6375 -3.6375 -3.6375 -3.6375 -2.6814 -2.6814 -2.6812 -2.6812 -2.1973 -2.1973 -2.1969 -2.1969 2.5946 2.5946 2.5966 2.5966 2.7325 2.7325 2.7346 2.7346 9.7825 9.7825 9.7831 9.7831 11.0617 11.0617 k = 0.5000 0.0209-0.0000 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4620 -20.4620 -20.4620 -20.4620 -19.1828 -19.1828 -19.1817 -19.1817 -19.0166 -19.0166 -19.0158 -19.0158 -18.9936 -18.9936 -18.9932 -18.9932 -10.9757 -10.9757 -10.9756 -10.9756 -3.6365 -3.6365 -3.6364 -3.6364 -2.6820 -2.6820 -2.6814 -2.6814 -2.1978 -2.1978 -2.1969 -2.1969 2.5910 2.5910 2.5950 2.5950 2.7343 2.7343 2.7384 2.7384 9.7797 9.7797 9.7808 9.7808 11.0696 11.0696 k = 0.5000 0.0314-0.0000 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4613 -20.4613 -20.4613 -20.4613 -19.1833 -19.1833 -19.1816 -19.1816 -19.0169 -19.0169 -19.0157 -19.0157 -18.9942 -18.9942 -18.9936 -18.9936 -10.9759 -10.9759 -10.9757 -10.9757 -3.6348 -3.6348 -3.6346 -3.6346 -2.6827 -2.6827 -2.6819 -2.6819 -2.1985 -2.1985 -2.1971 -2.1971 2.5861 2.5861 2.5917 2.5917 2.7381 2.7381 2.7439 2.7439 9.7754 9.7754 9.7770 9.7770 11.0827 11.0827 k = 0.5000 0.0418-0.0000 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4604 -20.4604 -20.4604 -20.4604 -19.1840 -19.1840 -19.1817 -19.1817 -19.0174 -19.0174 -19.0157 -19.0157 -18.9949 -18.9949 -18.9942 -18.9942 -10.9762 -10.9762 -10.9759 -10.9759 -3.6324 -3.6324 -3.6322 -3.6322 -2.6838 -2.6838 -2.6827 -2.6827 -2.1993 -2.1993 -2.1975 -2.1975 2.5799 2.5799 2.5869 2.5869 2.7435 2.7435 2.7507 2.7507 9.7696 9.7696 9.7718 9.7718 11.1009 11.1009 k = 0.5000 0.0523-0.0000 ( 4968 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4593 -20.4593 -20.4593 -20.4593 -19.1847 -19.1847 -19.1819 -19.1819 -19.0179 -19.0179 -19.0157 -19.0157 -18.9959 -18.9959 -18.9951 -18.9951 -10.9765 -10.9765 -10.9761 -10.9761 -3.6294 -3.6294 -3.6291 -3.6291 -2.6851 -2.6851 -2.6837 -2.6837 -2.2003 -2.2003 -2.1980 -2.1980 2.5728 2.5728 2.5808 2.5808 2.7505 2.7505 2.7588 2.7588 9.7626 9.7626 9.7653 9.7653 11.1241 11.1241 k = 0.5000 0.0627-0.0000 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4579 -20.4579 -20.4579 -20.4579 -19.1855 -19.1855 -19.1821 -19.1821 -19.0184 -19.0184 -19.0156 -19.0156 -18.9969 -18.9969 -18.9960 -18.9960 -10.9768 -10.9768 -10.9764 -10.9764 -3.6256 -3.6256 -3.6253 -3.6253 -2.6868 -2.6868 -2.6851 -2.6851 -2.2014 -2.2014 -2.1987 -2.1987 2.5647 2.5647 2.5736 2.5736 2.7588 2.7588 2.7679 2.7679 9.7546 9.7546 9.7577 9.7577 11.1519 11.1519 k = 0.5000 0.0732-0.0000 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4563 -20.4563 -20.4563 -20.4563 -19.1864 -19.1864 -19.1824 -19.1824 -19.0190 -19.0190 -19.0157 -19.0157 -18.9980 -18.9980 -18.9972 -18.9972 -10.9772 -10.9772 -10.9767 -10.9767 -3.6213 -3.6213 -3.6209 -3.6209 -2.6887 -2.6887 -2.6867 -2.6867 -2.2026 -2.2026 -2.1995 -2.1995 2.5560 2.5560 2.5654 2.5654 2.7681 2.7681 2.7779 2.7779 9.7458 9.7458 9.7494 9.7494 11.1841 11.1841 k = 0.5000 0.0836-0.0000 ( 4972 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4545 -20.4545 -20.4545 -20.4545 -19.1875 -19.1875 -19.1829 -19.1829 -19.0199 -19.0199 -19.0158 -19.0158 -18.9993 -18.9993 -18.9985 -18.9985 -10.9776 -10.9776 -10.9771 -10.9771 -3.6163 -3.6163 -3.6159 -3.6159 -2.6909 -2.6909 -2.6886 -2.6886 -2.2040 -2.2040 -2.2004 -2.2004 2.5466 2.5466 2.5565 2.5565 2.7784 2.7784 2.7887 2.7887 9.7364 9.7364 9.7404 9.7404 11.2204 11.2204 k = 0.5000 0.0941-0.0000 ( 4982 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4525 -20.4525 -20.4524 -20.4524 -19.1886 -19.1886 -19.1835 -19.1835 -19.0208 -19.0208 -19.0160 -19.0160 -19.0006 -19.0006 -19.0000 -19.0000 -10.9781 -10.9781 -10.9775 -10.9775 -3.6106 -3.6106 -3.6102 -3.6102 -2.6935 -2.6935 -2.6909 -2.6909 -2.2055 -2.2055 -2.2014 -2.2014 2.5367 2.5367 2.5468 2.5468 2.7896 2.7896 2.8002 2.8002 9.7267 9.7267 9.7310 9.7310 11.2606 11.2606 k = 0.5000 0.1046-0.0000 ( 4978 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4502 -20.4502 -20.4502 -20.4502 -19.1898 -19.1898 -19.1841 -19.1841 -19.0219 -19.0219 -19.0161 -19.0161 -19.0018 -19.0018 -19.0016 -19.0016 -10.9787 -10.9787 -10.9780 -10.9780 -3.6044 -3.6044 -3.6039 -3.6039 -2.6964 -2.6964 -2.6935 -2.6935 -2.2070 -2.2070 -2.2024 -2.2024 2.5264 2.5264 2.5367 2.5367 2.8016 2.8016 2.8124 2.8124 9.7169 9.7169 9.7215 9.7215 11.3044 11.3044 k = 0.5000 0.1150-0.0000 ( 4978 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4478 -20.4478 -20.4478 -20.4478 -19.1911 -19.1911 -19.1848 -19.1848 -19.0231 -19.0231 -19.0163 -19.0163 -19.0032 -19.0032 -19.0031 -19.0031 -10.9792 -10.9792 -10.9785 -10.9785 -3.5976 -3.5976 -3.5971 -3.5971 -2.6997 -2.6997 -2.6965 -2.6965 -2.2085 -2.2085 -2.2035 -2.2035 2.5156 2.5156 2.5260 2.5260 2.8141 2.8141 2.8252 2.8252 9.7071 9.7071 9.7120 9.7120 11.3515 11.3515 k = 0.5000 0.1255-0.0000 ( 4994 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4452 -20.4452 -20.4452 -20.4452 -19.1925 -19.1925 -19.1857 -19.1857 -19.0245 -19.0245 -19.0167 -19.0167 -19.0050 -19.0050 -19.0044 -19.0044 -10.9798 -10.9798 -10.9790 -10.9790 -3.5903 -3.5903 -3.5897 -3.5897 -2.7034 -2.7034 -2.6998 -2.6998 -2.2101 -2.2101 -2.2046 -2.2046 2.5044 2.5044 2.5149 2.5149 2.8272 2.8272 2.8384 2.8384 9.6974 9.6974 9.7027 9.7027 11.4017 11.4017 k = 0.5000 0.1359-0.0000 ( 4986 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4425 -20.4425 -20.4424 -20.4424 -19.1939 -19.1939 -19.1865 -19.1865 -19.0261 -19.0261 -19.0171 -19.0171 -19.0067 -19.0067 -19.0054 -19.0054 -10.9805 -10.9805 -10.9796 -10.9796 -3.5824 -3.5824 -3.5818 -3.5818 -2.7074 -2.7074 -2.7036 -2.7036 -2.2116 -2.2116 -2.2056 -2.2056 2.4930 2.4930 2.5035 2.5035 2.8409 2.8409 2.8521 2.8521 9.6882 9.6882 9.6937 9.6937 11.4548 11.4548 k = 0.5000 0.1464-0.0000 ( 4982 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4396 -20.4396 -20.4396 -20.4396 -19.1954 -19.1954 -19.1875 -19.1875 -19.0279 -19.0279 -19.0176 -19.0176 -19.0083 -19.0083 -19.0064 -19.0064 -10.9811 -10.9811 -10.9801 -10.9801 -3.5740 -3.5740 -3.5734 -3.5734 -2.7119 -2.7119 -2.7077 -2.7077 -2.2131 -2.2131 -2.2067 -2.2067 2.4813 2.4813 2.4919 2.4919 2.8549 2.8549 2.8662 2.8662 9.6795 9.6795 9.6853 9.6853 11.5105 11.5105 k = 0.5000 0.1568-0.0000 ( 4978 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4366 -20.4366 -20.4366 -20.4366 -19.1970 -19.1970 -19.1885 -19.1885 -19.0298 -19.0298 -19.0184 -19.0184 -19.0097 -19.0097 -19.0073 -19.0073 -10.9818 -10.9818 -10.9808 -10.9808 -3.5652 -3.5652 -3.5645 -3.5645 -2.7167 -2.7167 -2.7122 -2.7122 -2.2145 -2.2145 -2.2077 -2.2077 2.4695 2.4695 2.4800 2.4800 2.8693 2.8693 2.8806 2.8806 9.6713 9.6713 9.6774 9.6774 11.5687 11.5687 k = 0.5000 0.1673-0.0000 ( 4982 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4335 -20.4335 -20.4335 -20.4335 -19.1987 -19.1987 -19.1897 -19.1897 -19.0319 -19.0319 -19.0195 -19.0195 -19.0110 -19.0110 -19.0081 -19.0081 -10.9825 -10.9825 -10.9814 -10.9814 -3.5559 -3.5559 -3.5553 -3.5553 -2.7220 -2.7220 -2.7172 -2.7172 -2.2159 -2.2159 -2.2086 -2.2086 2.4575 2.4575 2.4680 2.4680 2.8839 2.8839 2.8953 2.8953 9.6639 9.6639 9.6701 9.6701 11.6291 11.6291 k = 0.5000 0.1777-0.0000 ( 4986 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4303 -20.4303 -20.4303 -20.4303 -19.2005 -19.2005 -19.1909 -19.1909 -19.0341 -19.0341 -19.0209 -19.0209 -19.0120 -19.0120 -19.0089 -19.0089 -10.9832 -10.9832 -10.9820 -10.9820 -3.5463 -3.5463 -3.5457 -3.5457 -2.7276 -2.7276 -2.7225 -2.7225 -2.2171 -2.2171 -2.2094 -2.2094 2.4454 2.4454 2.4559 2.4559 2.8987 2.8987 2.9101 2.9101 9.6571 9.6571 9.6636 9.6636 11.6917 11.6917 k = 0.5000 0.1882-0.0000 ( 4982 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4271 -20.4271 -20.4271 -20.4271 -19.2023 -19.2023 -19.1922 -19.1922 -19.0364 -19.0364 -19.0224 -19.0224 -19.0128 -19.0128 -19.0095 -19.0095 -10.9839 -10.9839 -10.9827 -10.9827 -3.5363 -3.5363 -3.5357 -3.5357 -2.7337 -2.7337 -2.7282 -2.7282 -2.2183 -2.2183 -2.2101 -2.2101 2.4334 2.4334 2.4438 2.4438 2.9136 2.9136 2.9249 2.9249 9.6511 9.6511 9.6578 9.6578 11.7561 11.7561 k = 0.5000 0.1987-0.0000 ( 4978 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4239 -20.4239 -20.4239 -20.4239 -19.2041 -19.2041 -19.1936 -19.1936 -19.0387 -19.0387 -19.0242 -19.0242 -19.0133 -19.0133 -19.0100 -19.0100 -10.9846 -10.9846 -10.9834 -10.9834 -3.5261 -3.5261 -3.5255 -3.5255 -2.7401 -2.7401 -2.7343 -2.7343 -2.2193 -2.2193 -2.2107 -2.2107 2.4214 2.4214 2.4318 2.4318 2.9285 2.9285 2.9398 2.9398 9.6459 9.6459 9.6528 9.6528 11.8224 11.8224 k = 0.5000 0.2091-0.0000 ( 4982 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4206 -20.4206 -20.4206 -20.4206 -19.2060 -19.2060 -19.1950 -19.1950 -19.0410 -19.0410 -19.0261 -19.0261 -19.0138 -19.0138 -19.0105 -19.0105 -10.9853 -10.9853 -10.9840 -10.9840 -3.5157 -3.5157 -3.5150 -3.5150 -2.7468 -2.7468 -2.7408 -2.7408 -2.2202 -2.2202 -2.2113 -2.2113 2.4096 2.4096 2.4199 2.4199 2.9432 2.9432 2.9545 2.9545 9.6415 9.6415 9.6486 9.6486 11.8904 11.8904 k = 0.5000 0.2196-0.0000 ( 4978 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4174 -20.4174 -20.4174 -20.4174 -19.2079 -19.2079 -19.1964 -19.1964 -19.0433 -19.0433 -19.0280 -19.0280 -19.0141 -19.0141 -19.0110 -19.0110 -10.9860 -10.9860 -10.9847 -10.9847 -3.5050 -3.5050 -3.5044 -3.5044 -2.7539 -2.7539 -2.7475 -2.7475 -2.2209 -2.2209 -2.2116 -2.2116 2.3980 2.3980 2.4082 2.4082 2.9578 2.9578 2.9691 2.9691 9.6379 9.6379 9.6451 9.6451 11.9598 11.9598 k = 0.5000 0.2300-0.0000 ( 4982 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4142 -20.4142 -20.4142 -20.4142 -19.2098 -19.2098 -19.1979 -19.1979 -19.0456 -19.0456 -19.0300 -19.0300 -19.0144 -19.0144 -19.0114 -19.0114 -10.9867 -10.9867 -10.9853 -10.9853 -3.4943 -3.4943 -3.4937 -3.4937 -2.7612 -2.7612 -2.7546 -2.7546 -2.2215 -2.2215 -2.2119 -2.2119 2.3866 2.3866 2.3968 2.3968 2.9721 2.9721 2.9834 2.9834 9.6349 9.6349 9.6424 9.6424 12.0307 12.0307 k = 0.5000 0.2405-0.0000 ( 4974 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4111 -20.4111 -20.4110 -20.4110 -19.2117 -19.2117 -19.1994 -19.1994 -19.0477 -19.0477 -19.0319 -19.0319 -19.0147 -19.0147 -19.0117 -19.0117 -10.9873 -10.9873 -10.9859 -10.9859 -3.4836 -3.4836 -3.4830 -3.4830 -2.7687 -2.7687 -2.7618 -2.7618 -2.2219 -2.2219 -2.2120 -2.2120 2.3756 2.3756 2.3857 2.3857 2.9860 2.9860 2.9973 2.9973 9.6328 9.6328 9.6404 9.6404 12.1029 12.1029 k = 0.5000 0.2509-0.0000 ( 4962 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4080 -20.4080 -20.4080 -20.4080 -19.2135 -19.2135 -19.2009 -19.2009 -19.0498 -19.0498 -19.0337 -19.0337 -19.0148 -19.0148 -19.0120 -19.0120 -10.9880 -10.9880 -10.9865 -10.9865 -3.4729 -3.4729 -3.4724 -3.4724 -2.7764 -2.7764 -2.7692 -2.7692 -2.2223 -2.2223 -2.2120 -2.2120 2.3650 2.3650 2.3751 2.3751 2.9995 2.9995 3.0108 3.0108 9.6312 9.6312 9.6391 9.6391 12.1763 12.1763 k = 0.5000 0.2614-0.0000 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4051 -20.4051 -20.4051 -20.4051 -19.2154 -19.2154 -19.2023 -19.2023 -19.0518 -19.0518 -19.0354 -19.0354 -19.0150 -19.0150 -19.0122 -19.0122 -10.9886 -10.9886 -10.9871 -10.9871 -3.4624 -3.4624 -3.4619 -3.4619 -2.7841 -2.7841 -2.7767 -2.7767 -2.2225 -2.2225 -2.2120 -2.2120 2.3549 2.3549 2.3649 2.3649 3.0124 3.0124 3.0237 3.0237 9.6303 9.6303 9.6383 9.6383 12.2508 12.2508 k = 0.5000 0.2718-0.0000 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4023 -20.4023 -20.4022 -20.4022 -19.2171 -19.2171 -19.2038 -19.2038 -19.0537 -19.0537 -19.0370 -19.0370 -19.0151 -19.0151 -19.0125 -19.0125 -10.9891 -10.9891 -10.9876 -10.9876 -3.4521 -3.4521 -3.4516 -3.4516 -2.7918 -2.7918 -2.7841 -2.7841 -2.2226 -2.2226 -2.2118 -2.2118 2.3453 2.3453 2.3553 2.3553 3.0247 3.0247 3.0359 3.0359 9.6299 9.6299 9.6380 9.6380 12.3263 12.3263 k = 0.5000 0.2823-0.0000 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3996 -20.3996 -20.3996 -20.3996 -19.2188 -19.2188 -19.2052 -19.2052 -19.0555 -19.0555 -19.0386 -19.0386 -19.0152 -19.0152 -19.0127 -19.0127 -10.9897 -10.9897 -10.9881 -10.9881 -3.4421 -3.4421 -3.4417 -3.4417 -2.7994 -2.7994 -2.7915 -2.7915 -2.2226 -2.2226 -2.2116 -2.2116 2.3363 2.3363 2.3462 2.3462 3.0362 3.0362 3.0474 3.0474 9.6299 9.6299 9.6382 9.6382 12.4026 12.4026 k = 0.5000 0.2928-0.0000 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3971 -20.3971 -20.3971 -20.3971 -19.2205 -19.2205 -19.2065 -19.2065 -19.0571 -19.0571 -19.0400 -19.0400 -19.0154 -19.0154 -19.0129 -19.0129 -10.9902 -10.9902 -10.9886 -10.9886 -3.4326 -3.4326 -3.4323 -3.4323 -2.8068 -2.8068 -2.7987 -2.7987 -2.2226 -2.2226 -2.2114 -2.2114 2.3280 2.3280 2.3379 2.3379 3.0469 3.0469 3.0581 3.0581 9.6303 9.6303 9.6387 9.6387 12.4797 12.4799 k = 0.5000 0.3032-0.0000 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3949 -20.3949 -20.3949 -20.3949 -19.2219 -19.2219 -19.2078 -19.2078 -19.0586 -19.0586 -19.0413 -19.0413 -19.0155 -19.0155 -19.0131 -19.0131 -10.9907 -10.9907 -10.9890 -10.9890 -3.4237 -3.4237 -3.4234 -3.4234 -2.8138 -2.8138 -2.8055 -2.8055 -2.2224 -2.2224 -2.2111 -2.2111 2.3204 2.3204 2.3303 2.3303 3.0567 3.0567 3.0679 3.0679 9.6309 9.6309 9.6395 9.6395 12.5573 12.5577 k = 0.5000 0.3137-0.0000 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3928 -20.3928 -20.3928 -20.3928 -19.2233 -19.2233 -19.2089 -19.2089 -19.0599 -19.0599 -19.0425 -19.0425 -19.0155 -19.0155 -19.0132 -19.0132 -10.9911 -10.9911 -10.9894 -10.9894 -3.4154 -3.4154 -3.4152 -3.4152 -2.8204 -2.8204 -2.8120 -2.8120 -2.2223 -2.2223 -2.2107 -2.2107 2.3136 2.3136 2.3234 2.3234 3.0655 3.0655 3.0767 3.0767 9.6318 9.6318 9.6405 9.6405 12.6353 12.6361 k = 0.5000 0.3241-0.0000 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3910 -20.3910 -20.3910 -20.3910 -19.2245 -19.2245 -19.2100 -19.2100 -19.0610 -19.0610 -19.0435 -19.0435 -19.0156 -19.0156 -19.0133 -19.0133 -10.9914 -10.9914 -10.9898 -10.9898 -3.4079 -3.4079 -3.4078 -3.4078 -2.8265 -2.8265 -2.8178 -2.8178 -2.2221 -2.2221 -2.2104 -2.2104 2.3076 2.3076 2.3174 2.3174 3.0733 3.0733 3.0845 3.0845 9.6327 9.6327 9.6415 9.6415 12.7131 12.7142 k = 0.5000 0.3346-0.0000 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3895 -20.3895 -20.3895 -20.3895 -19.2256 -19.2256 -19.2109 -19.2109 -19.0620 -19.0620 -19.0444 -19.0444 -19.0157 -19.0157 -19.0135 -19.0135 -10.9917 -10.9917 -10.9901 -10.9901 -3.4014 -3.4014 -3.4013 -3.4013 -2.8318 -2.8318 -2.8231 -2.8231 -2.2219 -2.2219 -2.2101 -2.2101 2.3024 2.3024 2.3122 2.3122 3.0800 3.0800 3.0912 3.0912 9.6336 9.6336 9.6425 9.6425 12.7884 12.7896 k = 0.5000 0.3450-0.0000 ( 4954 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3882 -20.3882 -20.3882 -20.3882 -19.2265 -19.2265 -19.2117 -19.2117 -19.0628 -19.0628 -19.0451 -19.0451 -19.0158 -19.0158 -19.0136 -19.0136 -10.9920 -10.9920 -10.9903 -10.9903 -3.3958 -3.3958 -3.3958 -3.3958 -2.8364 -2.8364 -2.8275 -2.8275 -2.2218 -2.2218 -2.2099 -2.2099 2.2981 2.2981 2.3079 2.3079 3.0855 3.0855 3.0967 3.0967 9.6345 9.6345 9.6435 9.6435 12.8500 12.8515 k = 0.5000 0.3555-0.0000 ( 4966 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3872 -20.3872 -20.3872 -20.3872 -19.2272 -19.2272 -19.2123 -19.2123 -19.0635 -19.0635 -19.0457 -19.0457 -19.0159 -19.0159 -19.0137 -19.0137 -10.9922 -10.9922 -10.9905 -10.9905 -3.3914 -3.3914 -3.3914 -3.3914 -2.8401 -2.8401 -2.8311 -2.8311 -2.2217 -2.2217 -2.2097 -2.2097 2.2948 2.2948 2.3045 2.3045 3.0899 3.0899 3.1011 3.1011 9.6353 9.6353 9.6443 9.6443 12.8657 12.8672 k = 0.5000 0.3659-0.0000 ( 4978 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3864 -20.3864 -20.3864 -20.3864 -19.2278 -19.2278 -19.2128 -19.2128 -19.0640 -19.0640 -19.0461 -19.0461 -19.0159 -19.0159 -19.0138 -19.0138 -10.9924 -10.9924 -10.9907 -10.9907 -3.3882 -3.3882 -3.3882 -3.3882 -2.8428 -2.8428 -2.8338 -2.8338 -2.2216 -2.2216 -2.2096 -2.2096 2.2924 2.2924 2.3021 2.3021 3.0930 3.0930 3.1042 3.1042 9.6358 9.6358 9.6449 9.6449 12.8595 12.8620 k = 0.5000 0.3764-0.0000 ( 4962 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3860 -20.3860 -20.3860 -20.3860 -19.2280 -19.2280 -19.2130 -19.2130 -19.0642 -19.0642 -19.0463 -19.0463 -19.0159 -19.0159 -19.0138 -19.0138 -10.9924 -10.9924 -10.9907 -10.9907 -3.3862 -3.3862 -3.3862 -3.3862 -2.8444 -2.8444 -2.8353 -2.8353 -2.2215 -2.2215 -2.2094 -2.2094 2.2909 2.2909 2.3006 2.3006 3.0949 3.0949 3.1061 3.1061 9.6362 9.6362 9.6453 9.6453 12.8536 12.8565 k = 0.5000 0.3869-0.0000 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3858 -20.3858 -20.3858 -20.3858 -19.2281 -19.2281 -19.2131 -19.2131 -19.0643 -19.0643 -19.0464 -19.0464 -19.0159 -19.0159 -19.0138 -19.0138 -10.9925 -10.9925 -10.9908 -10.9908 -3.3856 -3.3856 -3.3855 -3.3855 -2.8450 -2.8450 -2.8359 -2.8359 -2.2215 -2.2215 -2.2094 -2.2094 2.2904 2.2904 2.3002 2.3002 3.0955 3.0955 3.1067 3.1067 9.6363 9.6363 9.6455 9.6455 12.8523 12.8536 k = 0.5000 0.3869-0.0000 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3858 -20.3858 -20.3858 -20.3858 -19.2281 -19.2281 -19.2131 -19.2131 -19.0643 -19.0643 -19.0464 -19.0464 -19.0159 -19.0159 -19.0138 -19.0138 -10.9925 -10.9925 -10.9908 -10.9908 -3.3856 -3.3856 -3.3855 -3.3855 -2.8450 -2.8450 -2.8359 -2.8359 -2.2215 -2.2215 -2.2094 -2.2094 2.2904 2.2904 2.3002 2.3002 3.0955 3.0955 3.1067 3.1067 9.6363 9.6363 9.6455 9.6455 12.8526 12.8528 k = 0.4896 0.3869-0.0000 ( 4970 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3860 -20.3860 -20.3860 -20.3860 -19.2281 -19.2281 -19.2130 -19.2130 -19.0642 -19.0642 -19.0463 -19.0463 -19.0159 -19.0159 -19.0138 -19.0138 -10.9926 -10.9926 -10.9909 -10.9909 -3.3860 -3.3860 -3.3860 -3.3860 -2.8440 -2.8440 -2.8349 -2.8349 -2.2215 -2.2215 -2.2094 -2.2094 2.2912 2.2912 2.3009 2.3009 3.0955 3.0955 3.1067 3.1067 9.6347 9.6347 9.6438 9.6438 12.8519 12.8527 k = 0.4792 0.3869-0.0000 ( 4966 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3865 -20.3865 -20.3865 -20.3865 -19.2278 -19.2278 -19.2128 -19.2128 -19.0640 -19.0640 -19.0461 -19.0461 -19.0158 -19.0158 -19.0136 -19.0136 -10.9932 -10.9932 -10.9915 -10.9915 -3.3873 -3.3873 -3.3873 -3.3873 -2.8411 -2.8411 -2.8320 -2.8320 -2.2215 -2.2215 -2.2094 -2.2094 2.2936 2.2936 2.3033 2.3033 3.0954 3.0954 3.1066 3.1066 9.6296 9.6296 9.6387 9.6387 12.8517 12.8536 k = 0.4688 0.3869-0.0000 ( 4954 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3873 -20.3873 -20.3873 -20.3873 -19.2274 -19.2274 -19.2124 -19.2124 -19.0637 -19.0637 -19.0457 -19.0457 -19.0156 -19.0156 -19.0133 -19.0133 -10.9940 -10.9940 -10.9923 -10.9923 -3.3895 -3.3895 -3.3894 -3.3894 -2.8363 -2.8363 -2.8272 -2.8272 -2.2216 -2.2216 -2.2095 -2.2095 2.2975 2.2975 2.3073 2.3073 3.0953 3.0953 3.1065 3.1065 9.6213 9.6213 9.6304 9.6304 12.8515 12.8530 k = 0.4583 0.3869-0.0000 ( 4950 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.3885 -20.3885 -20.3885 -20.3885 -19.2269 -19.2269 -19.2119 -19.2119 -19.0633 -19.0633 -19.0451 -19.0451 -19.0153 -19.0153 -19.0129 -19.0129 -10.9952 -10.9952 -10.9935 -10.9935 -3.3925 -3.3925 -3.3924 -3.3924 -2.8296 -2.8296 -2.8205 -2.8205 -2.2216 -2.2216 -2.2095 -2.2095 2.3030 2.3030 2.3129 2.3129 3.0951 3.0951 3.1064 3.1064 9.6098 9.6098 9.6187 9.6187 12.8497 12.8516 k = 0.4479 0.3869-0.0000 ( 4946 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.3899 -20.3899 -20.3899 -20.3899 -19.2263 -19.2263 -19.2113 -19.2113 -19.0628 -19.0628 -19.0444 -19.0444 -19.0150 -19.0150 -19.0124 -19.0124 -10.9967 -10.9967 -10.9950 -10.9950 -3.3963 -3.3963 -3.3961 -3.3961 -2.8212 -2.8212 -2.8121 -2.8121 -2.2217 -2.2217 -2.2096 -2.2096 2.3101 2.3101 2.3200 2.3200 3.0948 3.0948 3.1062 3.1062 9.5950 9.5950 9.6039 9.6039 12.8462 12.8469 k = 0.4375 0.3869-0.0000 ( 4944 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.3917 -20.3917 -20.3917 -20.3917 -19.2255 -19.2255 -19.2106 -19.2106 -19.0621 -19.0621 -19.0436 -19.0436 -19.0146 -19.0146 -19.0118 -19.0118 -10.9985 -10.9985 -10.9968 -10.9968 -3.4007 -3.4007 -3.4005 -3.4005 -2.8110 -2.8110 -2.8019 -2.8019 -2.2218 -2.2218 -2.2097 -2.2097 2.3186 2.3186 2.3286 2.3286 3.0945 3.0945 3.1060 3.1060 9.5772 9.5772 9.5860 9.5860 12.8373 12.8381 k = 0.4271 0.3869-0.0000 ( 4948 PWs) bands (ev): -47.1309 -47.1309 -47.1309 -47.1309 -20.3938 -20.3938 -20.3938 -20.3938 -19.2247 -19.2247 -19.2097 -19.2097 -19.0614 -19.0614 -19.0427 -19.0427 -19.0141 -19.0141 -19.0111 -19.0111 -11.0007 -11.0007 -10.9990 -10.9990 -3.4059 -3.4059 -3.4056 -3.4056 -2.7993 -2.7993 -2.7901 -2.7901 -2.2220 -2.2220 -2.2097 -2.2097 2.3286 2.3286 2.3387 2.3387 3.0942 3.0942 3.1057 3.1057 9.5564 9.5564 9.5651 9.5651 12.8162 12.8166 k = 0.4167 0.3869-0.0000 ( 4948 PWs) bands (ev): -47.1309 -47.1309 -47.1309 -47.1309 -20.3961 -20.3961 -20.3961 -20.3961 -19.2237 -19.2237 -19.2087 -19.2087 -19.0606 -19.0606 -19.0416 -19.0416 -19.0136 -19.0136 -19.0102 -19.0102 -11.0031 -11.0031 -11.0015 -11.0015 -3.4116 -3.4116 -3.4113 -3.4113 -2.7860 -2.7860 -2.7768 -2.7768 -2.2221 -2.2221 -2.2098 -2.2098 2.3400 2.3400 2.3502 2.3502 3.0938 3.0938 3.1055 3.1055 9.5328 9.5328 9.5413 9.5413 12.7835 12.7859 k = 0.4062 0.3869-0.0000 ( 4948 PWs) bands (ev): -47.1310 -47.1310 -47.1310 -47.1310 -20.3988 -20.3988 -20.3988 -20.3988 -19.2225 -19.2225 -19.2077 -19.2077 -19.0597 -19.0597 -19.0405 -19.0405 -19.0129 -19.0129 -19.0093 -19.0093 -11.0058 -11.0058 -11.0042 -11.0042 -3.4178 -3.4178 -3.4174 -3.4174 -2.7712 -2.7712 -2.7621 -2.7621 -2.2221 -2.2221 -2.2098 -2.2098 2.3529 2.3529 2.3632 2.3632 3.0934 3.0934 3.1052 3.1052 9.5064 9.5064 9.5148 9.5148 12.7467 12.7472 k = 0.3958 0.3869-0.0000 ( 4944 PWs) bands (ev): -47.1310 -47.1310 -47.1310 -47.1310 -20.4017 -20.4017 -20.4017 -20.4017 -19.2213 -19.2213 -19.2065 -19.2065 -19.0587 -19.0587 -19.0393 -19.0393 -19.0121 -19.0121 -19.0082 -19.0082 -11.0089 -11.0089 -11.0072 -11.0072 -3.4244 -3.4244 -3.4240 -3.4240 -2.7551 -2.7551 -2.7459 -2.7459 -2.2222 -2.2222 -2.2098 -2.2098 2.3671 2.3671 2.3775 2.3775 3.0929 3.0929 3.1048 3.1048 9.4776 9.4776 9.4858 9.4858 12.7087 12.7110 k = 0.3854 0.3869-0.0000 ( 4944 PWs) bands (ev): -47.1311 -47.1311 -47.1311 -47.1311 -20.4048 -20.4048 -20.4048 -20.4048 -19.2200 -19.2200 -19.2052 -19.2052 -19.0577 -19.0577 -19.0380 -19.0380 -19.0113 -19.0113 -19.0070 -19.0070 -11.0121 -11.0121 -11.0105 -11.0105 -3.4315 -3.4315 -3.4311 -3.4311 -2.7378 -2.7378 -2.7285 -2.7285 -2.2222 -2.2222 -2.2097 -2.2097 2.3825 2.3825 2.3931 2.3931 3.0924 3.0924 3.1045 3.1045 9.4463 9.4463 9.4543 9.4543 12.6717 12.6724 k = 0.3750 0.3869-0.0000 ( 4944 PWs) bands (ev): -47.1312 -47.1312 -47.1312 -47.1312 -20.4082 -20.4082 -20.4082 -20.4082 -19.2186 -19.2186 -19.2039 -19.2039 -19.0565 -19.0565 -19.0366 -19.0366 -19.0103 -19.0103 -19.0058 -19.0058 -11.0157 -11.0157 -11.0141 -11.0141 -3.4389 -3.4389 -3.4384 -3.4384 -2.7194 -2.7194 -2.7100 -2.7100 -2.2222 -2.2222 -2.2096 -2.2096 2.3992 2.3992 2.4100 2.4100 3.0919 3.0919 3.1042 3.1042 9.4129 9.4129 9.4207 9.4207 12.6357 12.6360 k = 0.3646 0.3869-0.0000 ( 4944 PWs) bands (ev): -47.1313 -47.1313 -47.1313 -47.1313 -20.4118 -20.4118 -20.4118 -20.4118 -19.2170 -19.2170 -19.2024 -19.2024 -19.0554 -19.0554 -19.0353 -19.0353 -19.0092 -19.0092 -19.0044 -19.0044 -11.0195 -11.0195 -11.0179 -11.0179 -3.4465 -3.4465 -3.4460 -3.4460 -2.7000 -2.7000 -2.6904 -2.6904 -2.2220 -2.2220 -2.2093 -2.2093 2.4171 2.4171 2.4281 2.4281 3.0914 3.0914 3.1039 3.1039 9.3774 9.3774 9.3850 9.3850 12.6008 12.6009 k = 0.3542 0.3869-0.0000 ( 4940 PWs) bands (ev): -47.1313 -47.1313 -47.1313 -47.1313 -20.4156 -20.4156 -20.4156 -20.4156 -19.2154 -19.2154 -19.2009 -19.2009 -19.0541 -19.0541 -19.0339 -19.0339 -19.0079 -19.0079 -19.0029 -19.0029 -11.0235 -11.0235 -11.0219 -11.0219 -3.4544 -3.4544 -3.4539 -3.4539 -2.6796 -2.6796 -2.6700 -2.6700 -2.2218 -2.2218 -2.2089 -2.2089 2.4360 2.4360 2.4472 2.4472 3.0909 3.0909 3.1036 3.1036 9.3400 9.3400 9.3475 9.3475 12.5671 12.5671 k = 0.3438 0.3869-0.0000 ( 4944 PWs) bands (ev): -47.1314 -47.1314 -47.1314 -47.1314 -20.4196 -20.4196 -20.4195 -20.4195 -19.2138 -19.2138 -19.1994 -19.1994 -19.0528 -19.0528 -19.0325 -19.0325 -19.0066 -19.0066 -19.0013 -19.0013 -11.0277 -11.0277 -11.0261 -11.0261 -3.4625 -3.4625 -3.4619 -3.4619 -2.6586 -2.6586 -2.6487 -2.6487 -2.2214 -2.2214 -2.2084 -2.2084 2.4560 2.4560 2.4674 2.4674 3.0904 3.0904 3.1033 3.1033 9.3010 9.3010 9.3082 9.3082 12.5347 12.5347 k = 0.3333 0.3869-0.0000 ( 4948 PWs) bands (ev): -47.1315 -47.1315 -47.1315 -47.1315 -20.4237 -20.4237 -20.4237 -20.4237 -19.2121 -19.2121 -19.1978 -19.1978 -19.0515 -19.0515 -19.0311 -19.0311 -19.0051 -19.0051 -18.9996 -18.9996 -11.0320 -11.0320 -11.0306 -11.0306 -3.4707 -3.4707 -3.4701 -3.4701 -2.6368 -2.6368 -2.6267 -2.6267 -2.2209 -2.2209 -2.2077 -2.2077 2.4768 2.4768 2.4886 2.4886 3.0899 3.0899 3.1031 3.1031 9.2605 9.2605 9.2675 9.2675 12.5034 12.5034 k = 0.3229 0.3869-0.0000 ( 4950 PWs) bands (ev): -47.1316 -47.1316 -47.1316 -47.1316 -20.4280 -20.4280 -20.4279 -20.4279 -19.2103 -19.2103 -19.1962 -19.1962 -19.0501 -19.0501 -19.0298 -19.0298 -19.0034 -19.0034 -18.9978 -18.9978 -11.0366 -11.0366 -11.0351 -11.0351 -3.4790 -3.4790 -3.4784 -3.4784 -2.6145 -2.6145 -2.6042 -2.6042 -2.2202 -2.2202 -2.2068 -2.2068 2.4986 2.4986 2.5106 2.5106 3.0895 3.0895 3.1029 3.1029 9.2188 9.2188 9.2255 9.2255 12.4733 12.4733 k = 0.3125 0.3869-0.0000 ( 4954 PWs) bands (ev): -47.1317 -47.1317 -47.1317 -47.1317 -20.4323 -20.4323 -20.4323 -20.4323 -19.2085 -19.2085 -19.1946 -19.1946 -19.0487 -19.0487 -19.0285 -19.0285 -19.0017 -19.0017 -18.9960 -18.9960 -11.0413 -11.0413 -11.0399 -11.0399 -3.4874 -3.4874 -3.4868 -3.4868 -2.5918 -2.5918 -2.5813 -2.5813 -2.2191 -2.2191 -2.2055 -2.2055 2.5210 2.5210 2.5334 2.5334 3.0891 3.0891 3.1029 3.1029 9.1759 9.1759 9.1824 9.1824 12.4443 12.4443 k = 0.3021 0.3869-0.0000 ( 4966 PWs) bands (ev): -47.1318 -47.1318 -47.1318 -47.1318 -20.4368 -20.4368 -20.4368 -20.4368 -19.2068 -19.2068 -19.1930 -19.1930 -19.0474 -19.0474 -19.0273 -19.0273 -18.9998 -18.9998 -18.9941 -18.9941 -11.0461 -11.0461 -11.0447 -11.0447 -3.4959 -3.4959 -3.4952 -3.4952 -2.5689 -2.5689 -2.5581 -2.5581 -2.2178 -2.2178 -2.2039 -2.2039 2.5441 2.5441 2.5568 2.5568 3.0888 3.0888 3.1029 3.1029 9.1321 9.1321 9.1384 9.1384 12.4164 12.4164 k = 0.2917 0.3869-0.0000 ( 4966 PWs) bands (ev): -47.1319 -47.1319 -47.1319 -47.1319 -20.4414 -20.4414 -20.4414 -20.4414 -19.2049 -19.2049 -19.1913 -19.1913 -19.0459 -19.0459 -19.0260 -19.0260 -18.9978 -18.9978 -18.9921 -18.9921 -11.0510 -11.0510 -11.0497 -11.0497 -3.5043 -3.5043 -3.5036 -3.5036 -2.5460 -2.5460 -2.5348 -2.5348 -2.2160 -2.2160 -2.2018 -2.2018 2.5677 2.5677 2.5808 2.5808 3.0886 3.0886 3.1030 3.1030 9.0876 9.0876 9.0937 9.0937 12.3895 12.3895 k = 0.2812 0.3869-0.0000 ( 4974 PWs) bands (ev): -47.1320 -47.1320 -47.1320 -47.1320 -20.4460 -20.4460 -20.4460 -20.4460 -19.2030 -19.2030 -19.1897 -19.1897 -19.0444 -19.0444 -19.0249 -19.0249 -18.9957 -18.9957 -18.9901 -18.9901 -11.0560 -11.0560 -11.0547 -11.0547 -3.5127 -3.5127 -3.5121 -3.5121 -2.5231 -2.5231 -2.5117 -2.5117 -2.2137 -2.2137 -2.1992 -2.1992 2.5917 2.5917 2.6052 2.6052 3.0885 3.0885 3.1033 3.1033 9.0425 9.0425 9.0484 9.0484 12.3635 12.3635 k = 0.2708 0.3869-0.0000 ( 4978 PWs) bands (ev): -47.1322 -47.1322 -47.1322 -47.1322 -20.4507 -20.4507 -20.4507 -20.4507 -19.2012 -19.2012 -19.1881 -19.1881 -19.0430 -19.0430 -19.0237 -19.0237 -18.9935 -18.9935 -18.9880 -18.9880 -11.0611 -11.0611 -11.0598 -11.0598 -3.5210 -3.5210 -3.5204 -3.5204 -2.5007 -2.5007 -2.4888 -2.4888 -2.2107 -2.2107 -2.1959 -2.1959 2.6160 2.6160 2.6299 2.6299 3.0885 3.0885 3.1038 3.1038 8.9971 8.9971 9.0027 9.0027 12.3384 12.3384 k = 0.2604 0.3869-0.0000 ( 4974 PWs) bands (ev): -47.1323 -47.1323 -47.1323 -47.1323 -20.4554 -20.4554 -20.4554 -20.4554 -19.1993 -19.1993 -19.1865 -19.1865 -19.0414 -19.0414 -19.0226 -19.0226 -18.9913 -18.9913 -18.9858 -18.9858 -11.0662 -11.0662 -11.0649 -11.0649 -3.5293 -3.5293 -3.5287 -3.5287 -2.4787 -2.4787 -2.4666 -2.4666 -2.2068 -2.2068 -2.1919 -2.1919 2.6405 2.6405 2.6549 2.6549 3.0888 3.0888 3.1044 3.1044 8.9515 8.9515 8.9569 8.9569 12.3142 12.3142 k = 0.2500 0.3869-0.0000 ( 4970 PWs) bands (ev): -47.1324 -47.1324 -47.1324 -47.1324 -20.4600 -20.4600 -20.4600 -20.4600 -19.1974 -19.1974 -19.1849 -19.1849 -19.0399 -19.0399 -19.0216 -19.0216 -18.9889 -18.9889 -18.9836 -18.9836 -11.0713 -11.0713 -11.0701 -11.0701 -3.5374 -3.5374 -3.5368 -3.5368 -2.4576 -2.4576 -2.4452 -2.4452 -2.2020 -2.2020 -2.1868 -2.1868 2.6650 2.6650 2.6798 2.6798 3.0893 3.0893 3.1054 3.1054 8.9059 8.9059 8.9110 8.9110 12.2909 12.2909 k = 0.2396 0.3869-0.0000 ( 4964 PWs) bands (ev): -47.1325 -47.1325 -47.1325 -47.1325 -20.4647 -20.4647 -20.4647 -20.4647 -19.1955 -19.1955 -19.1834 -19.1834 -19.0383 -19.0383 -19.0205 -19.0205 -18.9866 -18.9866 -18.9814 -18.9814 -11.0764 -11.0764 -11.0752 -11.0752 -3.5454 -3.5454 -3.5448 -3.5448 -2.4375 -2.4375 -2.4249 -2.4249 -2.1960 -2.1960 -2.1807 -2.1807 2.6894 2.6894 2.7047 2.7047 3.0900 3.0900 3.1066 3.1066 8.8605 8.8605 8.8653 8.8653 12.2683 12.2683 k = 0.2292 0.3869-0.0000 ( 4960 PWs) bands (ev): -47.1326 -47.1326 -47.1326 -47.1326 -20.4693 -20.4693 -20.4693 -20.4693 -19.1937 -19.1937 -19.1819 -19.1819 -19.0368 -19.0368 -19.0195 -19.0195 -18.9842 -18.9842 -18.9793 -18.9793 -11.0815 -11.0815 -11.0804 -11.0804 -3.5533 -3.5533 -3.5527 -3.5527 -2.4188 -2.4188 -2.4062 -2.4062 -2.1885 -2.1885 -2.1733 -2.1733 2.7135 2.7135 2.7293 2.7293 3.0912 3.0912 3.1082 3.1082 8.8154 8.8154 8.8200 8.8200 12.2465 12.2466 k = 0.2188 0.3869-0.0000 ( 4958 PWs) bands (ev): -47.1327 -47.1327 -47.1327 -47.1327 -20.4739 -20.4739 -20.4738 -20.4738 -19.1919 -19.1919 -19.1805 -19.1805 -19.0352 -19.0352 -19.0186 -19.0186 -18.9818 -18.9818 -18.9771 -18.9771 -11.0866 -11.0866 -11.0854 -11.0854 -3.5610 -3.5610 -3.5604 -3.5604 -2.4016 -2.4016 -2.3892 -2.3892 -2.1795 -2.1795 -2.1645 -2.1645 2.7371 2.7371 2.7534 2.7534 3.0926 3.0926 3.1101 3.1101 8.7708 8.7708 8.7752 8.7752 12.2255 12.2255 k = 0.2083 0.3869-0.0000 ( 4954 PWs) bands (ev): -47.1328 -47.1328 -47.1328 -47.1328 -20.4783 -20.4783 -20.4783 -20.4783 -19.1901 -19.1901 -19.1791 -19.1791 -19.0336 -19.0336 -19.0177 -19.0177 -18.9794 -18.9794 -18.9750 -18.9750 -11.0915 -11.0915 -11.0905 -11.0905 -3.5684 -3.5684 -3.5679 -3.5679 -2.3862 -2.3862 -2.3741 -2.3741 -2.1687 -2.1687 -2.1542 -2.1542 2.7601 2.7601 2.7769 2.7769 3.0946 3.0946 3.1125 3.1125 8.7269 8.7269 8.7310 8.7310 12.2052 12.2054 k = 0.1979 0.3869-0.0000 ( 4956 PWs) bands (ev): -47.1329 -47.1329 -47.1329 -47.1329 -20.4827 -20.4827 -20.4827 -20.4827 -19.1884 -19.1884 -19.1778 -19.1778 -19.0321 -19.0321 -19.0168 -19.0168 -18.9771 -18.9771 -18.9728 -18.9728 -11.0964 -11.0964 -11.0954 -11.0954 -3.5757 -3.5757 -3.5752 -3.5752 -2.3727 -2.3727 -2.3612 -2.3612 -2.1562 -2.1562 -2.1425 -2.1425 2.7823 2.7823 2.7995 2.7995 3.0971 3.0971 3.1154 3.1154 8.6838 8.6838 8.6877 8.6877 12.1856 12.1856 k = 0.1875 0.3869-0.0000 ( 4952 PWs) bands (ev): -47.1330 -47.1330 -47.1330 -47.1330 -20.4870 -20.4870 -20.4869 -20.4869 -19.1868 -19.1868 -19.1766 -19.1766 -19.0306 -19.0306 -19.0159 -19.0159 -18.9748 -18.9748 -18.9708 -18.9708 -11.1012 -11.1012 -11.1002 -11.1002 -3.5827 -3.5827 -3.5822 -3.5822 -2.3610 -2.3610 -2.3503 -2.3503 -2.1422 -2.1422 -2.1293 -2.1293 2.8036 2.8036 2.8212 2.8212 3.1002 3.1002 3.1189 3.1189 8.6418 8.6418 8.6455 8.6455 12.1668 12.1671 k = 0.1771 0.3869-0.0000 ( 4958 PWs) bands (ev): -47.1331 -47.1331 -47.1331 -47.1331 -20.4911 -20.4911 -20.4911 -20.4911 -19.1852 -19.1852 -19.1755 -19.1755 -19.0291 -19.0291 -19.0152 -19.0152 -18.9725 -18.9725 -18.9688 -18.9688 -11.1058 -11.1058 -11.1049 -11.1049 -3.5895 -3.5895 -3.5890 -3.5890 -2.3510 -2.3510 -2.3413 -2.3413 -2.1269 -2.1269 -2.1150 -2.1150 2.8237 2.8237 2.8415 2.8415 3.1041 3.1041 3.1230 3.1230 8.6009 8.6009 8.6044 8.6044 12.1487 12.1513 k = 0.1667 0.3869-0.0000 ( 4954 PWs) bands (ev): -47.1332 -47.1332 -47.1332 -47.1332 -20.4951 -20.4951 -20.4950 -20.4950 -19.1836 -19.1836 -19.1744 -19.1744 -19.0276 -19.0276 -19.0144 -19.0144 -18.9703 -18.9703 -18.9668 -18.9668 -11.1103 -11.1103 -11.1094 -11.1094 -3.5960 -3.5960 -3.5956 -3.5956 -2.3428 -2.3428 -2.3339 -2.3339 -2.1105 -2.1105 -2.0997 -2.0997 2.8426 2.8426 2.8605 2.8605 3.1087 3.1087 3.1277 3.1277 8.5614 8.5614 8.5646 8.5646 12.1314 12.1314 k = 0.1562 0.3869-0.0000 ( 4946 PWs) bands (ev): -47.1332 -47.1332 -47.1332 -47.1332 -20.4989 -20.4989 -20.4989 -20.4989 -19.1821 -19.1821 -19.1734 -19.1734 -19.0261 -19.0261 -19.0137 -19.0137 -18.9682 -18.9682 -18.9649 -18.9649 -11.1146 -11.1146 -11.1137 -11.1137 -3.6022 -3.6022 -3.6018 -3.6018 -2.3359 -2.3359 -2.3280 -2.3280 -2.0935 -2.0935 -2.0838 -2.0838 2.8601 2.8601 2.8779 2.8779 3.1143 3.1143 3.1331 3.1331 8.5233 8.5233 8.5263 8.5263 12.1148 12.1162 k = 0.1458 0.3869-0.0000 ( 4946 PWs) bands (ev): -47.1333 -47.1333 -47.1333 -47.1333 -20.5025 -20.5025 -20.5025 -20.5025 -19.1807 -19.1807 -19.1725 -19.1725 -19.0246 -19.0246 -19.0130 -19.0130 -18.9662 -18.9662 -18.9631 -18.9631 -11.1187 -11.1187 -11.1179 -11.1179 -3.6081 -3.6081 -3.6077 -3.6077 -2.3303 -2.3303 -2.3233 -2.3233 -2.0763 -2.0763 -2.0676 -2.0676 2.8761 2.8761 2.8936 2.8936 3.1207 3.1207 3.1391 3.1391 8.4869 8.4869 8.4897 8.4897 12.0989 12.0990 k = 0.1354 0.3869-0.0000 ( 4946 PWs) bands (ev): -47.1334 -47.1334 -47.1334 -47.1334 -20.5060 -20.5060 -20.5059 -20.5059 -19.1793 -19.1793 -19.1716 -19.1716 -19.0232 -19.0232 -19.0124 -19.0124 -18.9643 -18.9643 -18.9614 -18.9614 -11.1226 -11.1226 -11.1219 -11.1219 -3.6136 -3.6136 -3.6132 -3.6132 -2.3256 -2.3256 -2.3196 -2.3196 -2.0590 -2.0590 -2.0513 -2.0513 2.8905 2.8905 2.9074 2.9074 3.1280 3.1280 3.1458 3.1458 8.4523 8.4523 8.4549 8.4549 12.0840 12.0840 k = 0.1250 0.3869-0.0000 ( 4952 PWs) bands (ev): -47.1335 -47.1335 -47.1335 -47.1335 -20.5092 -20.5092 -20.5092 -20.5092 -19.1781 -19.1781 -19.1709 -19.1709 -19.0219 -19.0219 -19.0119 -19.0119 -18.9624 -18.9624 -18.9598 -18.9598 -11.1263 -11.1263 -11.1256 -11.1256 -3.6188 -3.6188 -3.6185 -3.6185 -2.3219 -2.3219 -2.3166 -2.3166 -2.0421 -2.0421 -2.0353 -2.0353 2.9033 2.9033 2.9194 2.9194 3.1360 3.1360 3.1529 3.1529 8.4196 8.4196 8.4219 8.4219 12.0698 12.0718 k = 0.1146 0.3869-0.0000 ( 4952 PWs) bands (ev): -47.1336 -47.1336 -47.1336 -47.1336 -20.5122 -20.5122 -20.5122 -20.5122 -19.1769 -19.1769 -19.1703 -19.1703 -19.0206 -19.0206 -19.0114 -19.0114 -18.9607 -18.9607 -18.9583 -18.9583 -11.1298 -11.1298 -11.1291 -11.1291 -3.6236 -3.6236 -3.6233 -3.6233 -2.3188 -2.3188 -2.3142 -2.3142 -2.0258 -2.0258 -2.0198 -2.0198 2.9146 2.9146 2.9297 2.9297 3.1446 3.1446 3.1605 3.1605 8.3889 8.3889 8.3911 8.3911 12.0566 12.0567 k = 0.1042 0.3869-0.0000 ( 4956 PWs) bands (ev): -47.1336 -47.1336 -47.1336 -47.1336 -20.5150 -20.5150 -20.5150 -20.5150 -19.1757 -19.1757 -19.1697 -19.1697 -19.0194 -19.0194 -19.0110 -19.0110 -18.9591 -18.9591 -18.9569 -18.9569 -11.1330 -11.1330 -11.1324 -11.1324 -3.6281 -3.6281 -3.6278 -3.6278 -2.3163 -2.3163 -2.3123 -2.3123 -2.0103 -2.0103 -2.0050 -2.0050 2.9244 2.9244 2.9383 2.9383 3.1536 3.1536 3.1682 3.1682 8.3605 8.3605 8.3624 8.3624 12.0443 12.0460 k = 0.0938 0.3869-0.0000 ( 4956 PWs) bands (ev): -47.1337 -47.1337 -47.1337 -47.1337 -20.5176 -20.5176 -20.5176 -20.5176 -19.1747 -19.1747 -19.1692 -19.1692 -19.0182 -19.0182 -19.0106 -19.0106 -18.9576 -18.9576 -18.9557 -18.9557 -11.1359 -11.1359 -11.1354 -11.1354 -3.6322 -3.6322 -3.6319 -3.6319 -2.3142 -2.3142 -2.3108 -2.3108 -1.9957 -1.9957 -1.9911 -1.9911 2.9328 2.9328 2.9453 2.9453 3.1627 3.1627 3.1760 3.1760 8.3343 8.3343 8.3361 8.3361 12.0330 12.0335 k = 0.0833 0.3869-0.0000 ( 4960 PWs) bands (ev): -47.1338 -47.1338 -47.1338 -47.1338 -20.5199 -20.5199 -20.5199 -20.5199 -19.1737 -19.1737 -19.1688 -19.1688 -19.0171 -19.0171 -19.0103 -19.0103 -18.9562 -18.9562 -18.9545 -18.9545 -11.1385 -11.1385 -11.1381 -11.1381 -3.6359 -3.6359 -3.6356 -3.6356 -2.3126 -2.3126 -2.3097 -2.3097 -1.9822 -1.9822 -1.9783 -1.9783 2.9399 2.9399 2.9511 2.9511 3.1718 3.1718 3.1836 3.1836 8.3106 8.3106 8.3122 8.3122 12.0227 12.0227 k = 0.0729 0.3869-0.0000 ( 4946 PWs) bands (ev): -47.1338 -47.1338 -47.1338 -47.1338 -20.5220 -20.5220 -20.5220 -20.5220 -19.1728 -19.1728 -19.1685 -19.1685 -19.0160 -19.0160 -19.0101 -19.0101 -18.9550 -18.9550 -18.9535 -18.9535 -11.1409 -11.1409 -11.1405 -11.1405 -3.6391 -3.6391 -3.6389 -3.6389 -2.3112 -2.3112 -2.3088 -2.3088 -1.9700 -1.9700 -1.9667 -1.9667 2.9460 2.9460 2.9557 2.9557 3.1805 3.1805 3.1908 3.1908 8.2895 8.2895 8.2908 8.2908 12.0137 12.0146 k = 0.0625 0.3869-0.0000 ( 4954 PWs) bands (ev): -47.1338 -47.1338 -47.1338 -47.1338 -20.5238 -20.5238 -20.5238 -20.5238 -19.1720 -19.1720 -19.1683 -19.1683 -19.0150 -19.0150 -19.0099 -19.0099 -18.9539 -18.9539 -18.9526 -18.9526 -11.1430 -11.1430 -11.1426 -11.1426 -3.6420 -3.6420 -3.6418 -3.6418 -2.3101 -2.3101 -2.3081 -2.3081 -1.9592 -1.9592 -1.9564 -1.9564 2.9510 2.9510 2.9592 2.9592 3.1886 3.1886 3.1974 3.1974 8.2709 8.2709 8.2721 8.2721 12.0054 12.0059 k = 0.0521 0.3869-0.0000 ( 4958 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5253 -20.5253 -20.5253 -20.5253 -19.1712 -19.1712 -19.1681 -19.1681 -19.0141 -19.0141 -19.0099 -19.0099 -18.9530 -18.9530 -18.9520 -18.9520 -11.1447 -11.1447 -11.1444 -11.1444 -3.6444 -3.6444 -3.6443 -3.6443 -2.3092 -2.3092 -2.3076 -2.3076 -1.9499 -1.9499 -1.9476 -1.9476 2.9551 2.9551 2.9619 2.9619 3.1959 3.1959 3.2031 3.2031 8.2551 8.2551 8.2561 8.2561 11.9986 11.9994 k = 0.0417 0.3869-0.0000 ( 4962 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5266 -20.5266 -20.5266 -20.5266 -19.1706 -19.1706 -19.1681 -19.1681 -19.0133 -19.0133 -19.0099 -19.0099 -18.9522 -18.9522 -18.9514 -18.9514 -11.1462 -11.1462 -11.1460 -11.1460 -3.6464 -3.6464 -3.6463 -3.6463 -2.3085 -2.3085 -2.3072 -2.3072 -1.9421 -1.9421 -1.9403 -1.9403 2.9585 2.9585 2.9639 2.9639 3.2022 3.2022 3.2080 3.2080 8.2421 8.2421 8.2429 8.2429 11.9928 11.9933 k = 0.0312 0.3869-0.0000 ( 4958 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5276 -20.5276 -20.5276 -20.5276 -19.1700 -19.1700 -19.1681 -19.1681 -19.0126 -19.0126 -19.0100 -19.0100 -18.9516 -18.9516 -18.9510 -18.9510 -11.1473 -11.1473 -11.1471 -11.1471 -3.6479 -3.6479 -3.6479 -3.6479 -2.3079 -2.3079 -2.3070 -2.3070 -1.9359 -1.9359 -1.9346 -1.9346 2.9611 2.9611 2.9652 2.9652 3.2075 3.2075 3.2117 3.2117 8.2319 8.2319 8.2325 8.2325 11.9885 11.9889 k = 0.0208 0.3869-0.0000 ( 4972 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5283 -20.5283 -20.5283 -20.5283 -19.1695 -19.1695 -19.1683 -19.1683 -19.0120 -19.0120 -19.0103 -19.0103 -18.9511 -18.9511 -18.9507 -18.9507 -11.1481 -11.1481 -11.1480 -11.1480 -3.6491 -3.6491 -3.6490 -3.6490 -2.3075 -2.3075 -2.3069 -2.3069 -1.9315 -1.9315 -1.9306 -1.9306 2.9632 2.9632 2.9658 2.9658 3.2114 3.2114 3.2143 3.2143 8.2246 8.2246 8.2250 8.2250 11.9854 11.9855 k = 0.0104 0.3869-0.0000 ( 4974 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5288 -20.5288 -20.5287 -20.5287 -19.1691 -19.1691 -19.1685 -19.1685 -19.0115 -19.0115 -19.0106 -19.0106 -18.9508 -18.9508 -18.9506 -18.9506 -11.1486 -11.1486 -11.1485 -11.1485 -3.6497 -3.6497 -3.6497 -3.6497 -2.3072 -2.3072 -2.3069 -2.3069 -1.9287 -1.9287 -1.9283 -1.9283 2.9646 2.9646 2.9660 2.9660 3.2141 3.2141 3.2156 3.2156 8.2203 8.2203 8.2205 8.2205 11.9834 11.9835 k = 0.0000 0.3869-0.0000 ( 4982 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5289 -20.5289 -20.5289 -20.5289 -19.1688 -19.1688 -19.1688 -19.1688 -19.0110 -19.0110 -19.0110 -19.0110 -18.9506 -18.9506 -18.9506 -18.9506 -11.1487 -11.1487 -11.1487 -11.1487 -3.6499 -3.6499 -3.6499 -3.6499 -2.3070 -2.3070 -2.3070 -2.3070 -1.9276 -1.9276 -1.9276 -1.9276 2.9656 2.9656 2.9656 2.9656 3.2155 3.2155 3.2155 3.2155 8.2189 8.2189 8.2189 8.2189 11.9828 11.9828 k = 0.0000 0.3869-0.0000 ( 4982 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5289 -20.5289 -20.5289 -20.5289 -19.1688 -19.1688 -19.1688 -19.1688 -19.0110 -19.0110 -19.0110 -19.0110 -18.9506 -18.9506 -18.9506 -18.9506 -11.1487 -11.1487 -11.1487 -11.1487 -3.6499 -3.6499 -3.6499 -3.6499 -2.3070 -2.3070 -2.3070 -2.3070 -1.9276 -1.9276 -1.9276 -1.9276 2.9656 2.9656 2.9656 2.9656 3.2155 3.2155 3.2155 3.2155 8.2189 8.2189 8.2189 8.2189 11.9828 11.9828 k = 0.0000 0.3764-0.0000 ( 4968 PWs) bands (ev): -47.1340 -47.1340 -47.1339 -47.1339 -20.5312 -20.5312 -20.5264 -20.5264 -19.1693 -19.1693 -19.1682 -19.1682 -19.0114 -19.0114 -19.0106 -19.0106 -18.9510 -18.9510 -18.9504 -18.9504 -11.1510 -11.1510 -11.1460 -11.1460 -3.6674 -3.6674 -3.6323 -3.6323 -2.3083 -2.3083 -2.3057 -2.3057 -1.9339 -1.9339 -1.9213 -1.9213 2.9441 2.9441 2.9855 2.9855 3.2126 3.2126 3.2183 3.2183 8.1652 8.1652 8.2752 8.2752 11.9064 11.9064 k = 0.0000 0.3659-0.0000 ( 4966 PWs) bands (ev): -47.1341 -47.1341 -47.1339 -47.1339 -20.5332 -20.5332 -20.5236 -20.5236 -19.1700 -19.1700 -19.1677 -19.1677 -19.0119 -19.0119 -19.0101 -19.0101 -18.9517 -18.9517 -18.9505 -18.9505 -11.1528 -11.1528 -11.1428 -11.1428 -3.6847 -3.6847 -3.6147 -3.6147 -2.3096 -2.3096 -2.3046 -2.3046 -1.9401 -1.9401 -1.9148 -1.9148 2.9212 2.9212 3.0039 3.0039 3.2097 3.2097 3.2211 3.2211 8.1143 8.1143 8.3338 8.3338 11.8272 11.8272 k = 0.0000 0.3555-0.0000 ( 4968 PWs) bands (ev): -47.1341 -47.1341 -47.1339 -47.1339 -20.5351 -20.5351 -20.5207 -20.5207 -19.1708 -19.1708 -19.1673 -19.1673 -19.0124 -19.0124 -19.0097 -19.0097 -18.9527 -18.9527 -18.9509 -18.9509 -11.1542 -11.1542 -11.1392 -11.1392 -3.7018 -3.7018 -3.5971 -3.5971 -2.3109 -2.3109 -2.3037 -2.3037 -1.9463 -1.9463 -1.9084 -1.9084 2.8969 2.8969 3.0207 3.0207 3.2067 3.2067 3.2238 3.2238 8.0663 8.0663 8.3946 8.3946 11.7456 11.7456 k = 0.0000 0.3450-0.0000 ( 4964 PWs) bands (ev): -47.1341 -47.1341 -47.1338 -47.1338 -20.5367 -20.5367 -20.5176 -20.5176 -19.1716 -19.1716 -19.1669 -19.1669 -19.0129 -19.0129 -19.0094 -19.0094 -18.9539 -18.9539 -18.9515 -18.9515 -11.1552 -11.1552 -11.1351 -11.1351 -3.7185 -3.7185 -3.5797 -3.5797 -2.3119 -2.3119 -2.3031 -2.3031 -1.9523 -1.9523 -1.9019 -1.9019 2.8714 2.8714 3.0359 3.0359 3.2037 3.2037 3.2264 3.2264 8.0213 8.0213 8.4574 8.4574 11.6621 11.6621 k = 0.0000 0.3346-0.0000 ( 4962 PWs) bands (ev): -47.1342 -47.1342 -47.1338 -47.1338 -20.5381 -20.5381 -20.5142 -20.5142 -19.1725 -19.1725 -19.1667 -19.1667 -19.0133 -19.0133 -19.0090 -19.0090 -18.9554 -18.9554 -18.9525 -18.9525 -11.1557 -11.1557 -11.1306 -11.1306 -3.7348 -3.7348 -3.5626 -3.5626 -2.3127 -2.3127 -2.3027 -2.3027 -1.9582 -1.9582 -1.8954 -1.8954 2.8446 2.8446 3.0495 3.0495 3.2008 3.2008 3.2289 3.2289 7.9796 7.9796 8.5220 8.5220 11.5769 11.5769 k = 0.0000 0.3241-0.0000 ( 4966 PWs) bands (ev): -47.1342 -47.1342 -47.1337 -47.1337 -20.5393 -20.5393 -20.5107 -20.5107 -19.1735 -19.1735 -19.1665 -19.1665 -19.0139 -19.0139 -19.0087 -19.0087 -18.9572 -18.9572 -18.9536 -18.9536 -11.1558 -11.1558 -11.1258 -11.1258 -3.7507 -3.7507 -3.5459 -3.5459 -2.3132 -2.3132 -2.3028 -2.3028 -1.9640 -1.9640 -1.8889 -1.8889 2.8167 2.8167 3.0615 3.0615 3.1977 3.1977 3.2314 3.2314 7.9411 7.9411 8.5881 8.5881 11.4905 11.4905 k = 0.0000 0.3137-0.0000 ( 4966 PWs) bands (ev): -47.1343 -47.1343 -47.1337 -47.1337 -20.5402 -20.5402 -20.5070 -20.5070 -19.1745 -19.1745 -19.1664 -19.1664 -19.0145 -19.0145 -19.0084 -19.0084 -18.9592 -18.9592 -18.9550 -18.9550 -11.1555 -11.1555 -11.1205 -11.1205 -3.7660 -3.7660 -3.5295 -3.5295 -2.3132 -2.3132 -2.3032 -2.3032 -1.9696 -1.9696 -1.8823 -1.8823 2.7878 2.7878 3.0718 3.0718 3.1947 3.1947 3.2337 3.2337 7.9061 7.9061 8.6555 8.6555 11.4031 11.4031 k = 0.0000 0.3032-0.0000 ( 4966 PWs) bands (ev): -47.1343 -47.1343 -47.1337 -47.1337 -20.5410 -20.5410 -20.5031 -20.5031 -19.1756 -19.1756 -19.1663 -19.1663 -19.0151 -19.0151 -19.0082 -19.0082 -18.9613 -18.9613 -18.9566 -18.9566 -11.1548 -11.1548 -11.1149 -11.1149 -3.7808 -3.7808 -3.5137 -3.5137 -2.3127 -2.3127 -2.3041 -2.3041 -1.9752 -1.9752 -1.8758 -1.8758 2.7579 2.7579 3.0804 3.0804 3.1917 3.1917 3.2360 3.2360 7.8746 7.8746 8.7241 8.7241 11.3149 11.3149 k = 0.0000 0.2928-0.0000 ( 4965 PWs) bands (ev): -47.1344 -47.1344 -47.1336 -47.1336 -20.5415 -20.5415 -20.4990 -20.4990 -19.1768 -19.1768 -19.1664 -19.1664 -19.0156 -19.0156 -19.0080 -19.0080 -18.9636 -18.9636 -18.9585 -18.9585 -11.1537 -11.1537 -11.1090 -11.1090 -3.7950 -3.7950 -3.4986 -3.4986 -2.3116 -2.3116 -2.3054 -2.3054 -1.9806 -1.9806 -1.8694 -1.8694 2.7273 2.7273 3.0875 3.0875 3.1886 3.1886 3.2382 3.2382 7.8466 7.8466 8.7934 8.7934 11.2262 11.2262 k = 0.0000 0.2823-0.0000 ( 4965 PWs) bands (ev): -47.1344 -47.1344 -47.1336 -47.1336 -20.5419 -20.5419 -20.4948 -20.4948 -19.1780 -19.1780 -19.1665 -19.1665 -19.0163 -19.0163 -19.0078 -19.0078 -18.9661 -18.9661 -18.9605 -18.9605 -11.1523 -11.1523 -11.1027 -11.1027 -3.8086 -3.8086 -3.4842 -3.4842 -2.3098 -2.3098 -2.3071 -2.3071 -1.9858 -1.9858 -1.8630 -1.8630 2.6959 2.6959 3.0931 3.0931 3.1856 3.1856 3.2404 3.2404 7.8223 7.8223 8.8634 8.8634 11.1370 11.1370 k = 0.0000 0.2718-0.0000 ( 4959 PWs) bands (ev): -47.1345 -47.1345 -47.1335 -47.1335 -20.5421 -20.5421 -20.4905 -20.4905 -19.1793 -19.1793 -19.1667 -19.1667 -19.0169 -19.0169 -19.0076 -19.0076 -18.9686 -18.9686 -18.9627 -18.9627 -11.1506 -11.1506 -11.0962 -11.0962 -3.8215 -3.8215 -3.4706 -3.4706 -2.3094 -2.3094 -2.3073 -2.3073 -1.9909 -1.9909 -1.8566 -1.8566 2.6640 2.6640 3.0972 3.0972 3.1826 3.1826 3.2424 3.2424 7.8017 7.8017 8.9337 8.9337 11.0477 11.0477 k = 0.0000 0.2614-0.0000 ( 4955 PWs) bands (ev): -47.1345 -47.1345 -47.1335 -47.1335 -20.5421 -20.5421 -20.4861 -20.4861 -19.1806 -19.1806 -19.1670 -19.1670 -19.0176 -19.0176 -19.0075 -19.0075 -18.9712 -18.9712 -18.9650 -18.9650 -11.1486 -11.1486 -11.0894 -11.0894 -3.8338 -3.8338 -3.4579 -3.4579 -2.3121 -2.3121 -2.3041 -2.3041 -1.9958 -1.9958 -1.8504 -1.8504 2.6315 2.6315 3.0999 3.0999 3.1796 3.1796 3.2443 3.2443 7.7848 7.7848 9.0042 9.0042 10.9583 10.9583 k = 0.0000 0.2509-0.0000 ( 4959 PWs) bands (ev): -47.1345 -47.1345 -47.1335 -47.1335 -20.5419 -20.5419 -20.4816 -20.4816 -19.1821 -19.1821 -19.1673 -19.1673 -19.0184 -19.0184 -19.0075 -19.0075 -18.9739 -18.9739 -18.9674 -18.9674 -11.1462 -11.1462 -11.0825 -11.0825 -3.8453 -3.8453 -3.4462 -3.4462 -2.3153 -2.3153 -2.3000 -2.3000 -2.0006 -2.0006 -1.8442 -1.8442 2.5988 2.5988 3.1012 3.1012 3.1765 3.1765 3.2461 3.2461 7.7715 7.7715 9.0745 9.0745 10.8691 10.8691 k = 0.0000 0.2405-0.0000 ( 4955 PWs) bands (ev): -47.1346 -47.1346 -47.1334 -47.1334 -20.5416 -20.5416 -20.4770 -20.4770 -19.1835 -19.1835 -19.1678 -19.1678 -19.0193 -19.0193 -19.0076 -19.0076 -18.9765 -18.9765 -18.9699 -18.9699 -11.1437 -11.1437 -11.0753 -11.0753 -3.8561 -3.8561 -3.4354 -3.4354 -2.3189 -2.3189 -2.2951 -2.2951 -2.0052 -2.0052 -1.8381 -1.8381 2.5658 2.5658 3.1013 3.1013 3.1736 3.1736 3.2478 3.2478 7.7619 7.7619 9.1444 9.1444 10.7801 10.7801 k = 0.0000 0.2300-0.0000 ( 4953 PWs) bands (ev): -47.1346 -47.1346 -47.1334 -47.1334 -20.5411 -20.5411 -20.4723 -20.4723 -19.1851 -19.1851 -19.1682 -19.1682 -19.0202 -19.0202 -19.0077 -19.0077 -18.9791 -18.9791 -18.9725 -18.9725 -11.1410 -11.1410 -11.0681 -11.0681 -3.8663 -3.8663 -3.4256 -3.4256 -2.3230 -2.3230 -2.2893 -2.2893 -2.0097 -2.0097 -1.8322 -1.8322 2.5328 2.5328 3.1003 3.1003 3.1706 3.1706 3.2494 3.2494 7.7559 7.7559 9.2137 9.2137 10.6915 10.6915 k = 0.0000 0.2196-0.0000 ( 4949 PWs) bands (ev): -47.1346 -47.1346 -47.1334 -47.1334 -20.5405 -20.5405 -20.4677 -20.4677 -19.1867 -19.1867 -19.1688 -19.1688 -19.0213 -19.0213 -19.0079 -19.0079 -18.9815 -18.9815 -18.9752 -18.9752 -11.1380 -11.1380 -11.0607 -11.0607 -3.8757 -3.8757 -3.4168 -3.4168 -2.3275 -2.3275 -2.2827 -2.2827 -2.0139 -2.0139 -1.8263 -1.8263 2.4999 2.4999 3.0982 3.0982 3.1677 3.1677 3.2510 3.2510 7.7535 7.7535 9.2821 9.2821 10.6035 10.6035 k = 0.0000 0.2091-0.0000 ( 4951 PWs) bands (ev): -47.1347 -47.1347 -47.1334 -47.1334 -20.5398 -20.5398 -20.4630 -20.4630 -19.1883 -19.1883 -19.1694 -19.1694 -19.0224 -19.0224 -19.0083 -19.0083 -18.9838 -18.9838 -18.9779 -18.9779 -11.1349 -11.1349 -11.0533 -11.0533 -3.8844 -3.8844 -3.4091 -3.4091 -2.3323 -2.3323 -2.2754 -2.2754 -2.0180 -2.0180 -1.8207 -1.8207 2.4672 2.4672 3.0952 3.0952 3.1648 3.1648 3.2524 3.2524 7.7545 7.7545 9.3494 9.3494 10.5163 10.5163 k = 0.0000 0.1987-0.0000 ( 4955 PWs) bands (ev): -47.1347 -47.1347 -47.1333 -47.1333 -20.5390 -20.5390 -20.4583 -20.4583 -19.1900 -19.1900 -19.1701 -19.1701 -19.0238 -19.0238 -19.0087 -19.0087 -18.9859 -18.9859 -18.9806 -18.9806 -11.1317 -11.1317 -11.0459 -11.0459 -3.8924 -3.8924 -3.4024 -3.4024 -2.3375 -2.3375 -2.2673 -2.2673 -2.0219 -2.0219 -1.8152 -1.8152 2.4348 2.4348 3.0914 3.0914 3.1620 3.1620 3.2537 3.2537 7.7589 7.7589 9.4154 9.4154 10.4299 10.4299 k = 0.0000 0.1882-0.0000 ( 4953 PWs) bands (ev): -47.1347 -47.1347 -47.1333 -47.1333 -20.5381 -20.5381 -20.4536 -20.4536 -19.1918 -19.1918 -19.1708 -19.1708 -19.0252 -19.0252 -19.0092 -19.0092 -18.9876 -18.9876 -18.9832 -18.9832 -11.1284 -11.1284 -11.0385 -11.0385 -3.8997 -3.8997 -3.3967 -3.3967 -2.3430 -2.3430 -2.2586 -2.2586 -2.0256 -2.0256 -1.8099 -1.8099 2.4029 2.4029 3.0868 3.0868 3.1593 3.1593 3.2550 3.2550 7.7665 7.7665 9.4798 9.4798 10.3446 10.3446 k = 0.0000 0.1777-0.0000 ( 4953 PWs) bands (ev): -47.1348 -47.1348 -47.1333 -47.1333 -20.5371 -20.5371 -20.4490 -20.4490 -19.1935 -19.1935 -19.1717 -19.1717 -19.0269 -19.0269 -19.0098 -19.0098 -18.9891 -18.9891 -18.9859 -18.9859 -11.1251 -11.1251 -11.0312 -11.0312 -3.9063 -3.9063 -3.3919 -3.3919 -2.3487 -2.3487 -2.2493 -2.2493 -2.0291 -2.0291 -1.8048 -1.8048 2.3717 2.3717 3.0817 3.0817 3.1566 3.1566 3.2562 3.2562 7.7772 7.7772 9.5424 9.5424 10.2605 10.2605 k = 0.0000 0.1673-0.0000 ( 4953 PWs) bands (ev): -47.1348 -47.1348 -47.1333 -47.1333 -20.5361 -20.5361 -20.4445 -20.4445 -19.1953 -19.1953 -19.1725 -19.1725 -19.0287 -19.0287 -19.0104 -19.0104 -18.9904 -18.9904 -18.9885 -18.9885 -11.1218 -11.1218 -11.0241 -11.0241 -3.9123 -3.9123 -3.3879 -3.3879 -2.3546 -2.3546 -2.2395 -2.2395 -2.0324 -2.0324 -1.7999 -1.7999 2.3412 2.3412 3.0761 3.0761 3.1541 3.1541 3.2573 3.2573 7.7907 7.7907 9.6030 9.6030 10.1777 10.1777 k = 0.0000 0.1568-0.0000 ( 4959 PWs) bands (ev): -47.1348 -47.1348 -47.1332 -47.1332 -20.5351 -20.5351 -20.4401 -20.4401 -19.1970 -19.1970 -19.1734 -19.1734 -19.0306 -19.0306 -19.0110 -19.0110 -18.9915 -18.9915 -18.9909 -18.9909 -11.1184 -11.1184 -11.0171 -11.0171 -3.9178 -3.9178 -3.3848 -3.3848 -2.3605 -2.3605 -2.2294 -2.2294 -2.0355 -2.0355 -1.7952 -1.7952 2.3117 2.3117 3.0702 3.0702 3.1516 3.1516 3.2582 3.2582 7.8070 7.8070 9.6614 9.6614 10.0967 10.0967 k = 0.0000 0.1464-0.0000 ( 4955 PWs) bands (ev): -47.1349 -47.1349 -47.1332 -47.1332 -20.5340 -20.5340 -20.4358 -20.4358 -19.1988 -19.1988 -19.1743 -19.1743 -19.0326 -19.0326 -19.0116 -19.0116 -18.9935 -18.9935 -18.9921 -18.9921 -11.1151 -11.1151 -11.0103 -11.0103 -3.9226 -3.9226 -3.3824 -3.3824 -2.3666 -2.3666 -2.2191 -2.2191 -2.0384 -2.0384 -1.7907 -1.7907 2.2833 2.2833 3.0640 3.0640 3.1493 3.1493 3.2592 3.2592 7.8258 7.8258 9.7173 9.7173 10.0174 10.0174 k = 0.0000 0.1359-0.0000 ( 4955 PWs) bands (ev): -47.1349 -47.1349 -47.1332 -47.1332 -20.5329 -20.5329 -20.4317 -20.4317 -19.2005 -19.2005 -19.1753 -19.1753 -19.0347 -19.0347 -19.0122 -19.0122 -18.9958 -18.9958 -18.9928 -18.9928 -11.1119 -11.1119 -11.0038 -11.0038 -3.9268 -3.9268 -3.3806 -3.3806 -2.3726 -2.3726 -2.2087 -2.2087 -2.0411 -2.0411 -1.7865 -1.7865 2.2561 2.2561 3.0577 3.0577 3.1471 3.1471 3.2600 3.2600 7.8468 7.8468 9.7706 9.7706 9.9403 9.9403 k = 0.0000 0.1255-0.0000 ( 4957 PWs) bands (ev): -47.1349 -47.1349 -47.1332 -47.1332 -20.5319 -20.5319 -20.4278 -20.4278 -19.2023 -19.2023 -19.1762 -19.1762 -19.0368 -19.0368 -19.0128 -19.0128 -18.9979 -18.9979 -18.9932 -18.9932 -11.1088 -11.1088 -10.9976 -10.9976 -3.9306 -3.9306 -3.3794 -3.3794 -2.3785 -2.3785 -2.1984 -2.1984 -2.0436 -2.0436 -1.7826 -1.7826 2.2302 2.2302 3.0513 3.0513 3.1450 3.1450 3.2608 3.2608 7.8698 7.8698 9.8206 9.8206 9.8661 9.8661 k = 0.0000 0.1150-0.0000 ( 4949 PWs) bands (ev): -47.1349 -47.1349 -47.1332 -47.1332 -20.5308 -20.5308 -20.4241 -20.4241 -19.2039 -19.2039 -19.1771 -19.1771 -19.0388 -19.0388 -19.0132 -19.0132 -18.9999 -18.9999 -18.9936 -18.9936 -11.1059 -11.1059 -10.9917 -10.9917 -3.9338 -3.9338 -3.3787 -3.3787 -2.3843 -2.3843 -2.1882 -2.1882 -2.0459 -2.0459 -1.7789 -1.7789 2.2059 2.2059 3.0451 3.0451 3.1430 3.1430 3.2615 3.2615 7.8943 7.8943 9.7926 9.7926 9.8695 9.8695 k = 0.0000 0.1046-0.0000 ( 4947 PWs) bands (ev): -47.1349 -47.1349 -47.1332 -47.1332 -20.5298 -20.5298 -20.4206 -20.4206 -19.2055 -19.2055 -19.1780 -19.1780 -19.0408 -19.0408 -19.0137 -19.0137 -19.0018 -19.0018 -18.9939 -18.9939 -11.1030 -11.1030 -10.9861 -10.9861 -3.9366 -3.9366 -3.3783 -3.3783 -2.3899 -2.3899 -2.1784 -2.1784 -2.0479 -2.0479 -1.7755 -1.7755 2.1831 2.1831 3.0390 3.0390 3.1413 3.1413 3.2621 3.2621 7.9200 7.9200 9.7238 9.7238 9.9136 9.9136 k = 0.0000 0.0941-0.0000 ( 4945 PWs) bands (ev): -47.1350 -47.1350 -47.1331 -47.1331 -20.5288 -20.5288 -20.4174 -20.4174 -19.2070 -19.2070 -19.1789 -19.1789 -19.0427 -19.0427 -19.0141 -19.0141 -19.0035 -19.0035 -18.9941 -18.9941 -11.1004 -11.1004 -10.9810 -10.9810 -3.9390 -3.9390 -3.3783 -3.3783 -2.3951 -2.3951 -2.1690 -2.1690 -2.0498 -2.0498 -1.7724 -1.7724 2.1621 2.1621 3.0333 3.0333 3.1396 3.1396 3.2627 3.2627 7.9465 7.9465 9.6582 9.6582 9.9546 9.9546 k = 0.0000 0.0836-0.0000 ( 4943 PWs) bands (ev): -47.1350 -47.1350 -47.1331 -47.1331 -20.5279 -20.5279 -20.4144 -20.4144 -19.2084 -19.2084 -19.1797 -19.1797 -19.0444 -19.0444 -19.0145 -19.0145 -19.0051 -19.0051 -18.9942 -18.9942 -11.0980 -11.0980 -10.9764 -10.9764 -3.9411 -3.9411 -3.3785 -3.3785 -2.4000 -2.4000 -2.1602 -2.1602 -2.0515 -2.0515 -1.7696 -1.7696 2.1430 2.1430 3.0279 3.0279 3.1381 3.1381 3.2632 3.2632 7.9732 7.9732 9.5965 9.5965 9.9920 9.9920 k = 0.0000 0.0732-0.0000 ( 4951 PWs) bands (ev): -47.1350 -47.1350 -47.1331 -47.1331 -20.5271 -20.5271 -20.4117 -20.4117 -19.2097 -19.2097 -19.1805 -19.1805 -19.0461 -19.0461 -19.0148 -19.0148 -19.0065 -19.0065 -18.9944 -18.9944 -11.0958 -11.0958 -10.9722 -10.9722 -3.9428 -3.9428 -3.3789 -3.3789 -2.4046 -2.4046 -2.1522 -2.1522 -2.0530 -2.0530 -1.7672 -1.7672 2.1259 2.1259 3.0229 3.0229 3.1368 3.1368 3.2637 3.2637 7.9995 7.9995 9.5394 9.5394 10.0257 10.0257 k = 0.0000 0.0627-0.0000 ( 4957 PWs) bands (ev): -47.1350 -47.1350 -47.1331 -47.1331 -20.5264 -20.5264 -20.4094 -20.4094 -19.2109 -19.2109 -19.1812 -19.1812 -19.0475 -19.0475 -19.0151 -19.0151 -19.0077 -19.0077 -18.9945 -18.9945 -11.0939 -11.0939 -10.9685 -10.9685 -3.9442 -3.9442 -3.3794 -3.3794 -2.4086 -2.4086 -2.1450 -2.1450 -2.0542 -2.0542 -1.7650 -1.7650 2.1108 2.1108 3.0184 3.0184 3.1356 3.1356 3.2640 3.2640 8.0248 8.0248 9.4875 9.4875 10.0554 10.0554 k = 0.0000 0.0523-0.0000 ( 4961 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5257 -20.5257 -20.4074 -20.4074 -19.2119 -19.2119 -19.1819 -19.1819 -19.0487 -19.0487 -19.0153 -19.0153 -19.0088 -19.0088 -18.9946 -18.9946 -11.0923 -11.0923 -10.9653 -10.9653 -3.9453 -3.9453 -3.3799 -3.3799 -2.4121 -2.4121 -2.1388 -2.1388 -2.0553 -2.0553 -1.7631 -1.7631 2.0978 2.0978 3.0145 3.0145 3.1346 3.1346 3.2643 3.2643 8.0482 8.0482 9.4416 9.4416 10.0810 10.0810 k = 0.0000 0.0418-0.0000 ( 4961 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5252 -20.5252 -20.4057 -20.4057 -19.2127 -19.2127 -19.1824 -19.1824 -19.0498 -19.0498 -19.0155 -19.0155 -19.0096 -19.0096 -18.9946 -18.9946 -11.0909 -11.0909 -10.9627 -10.9627 -3.9462 -3.9462 -3.3804 -3.3804 -2.4150 -2.4150 -2.1335 -2.1335 -2.0562 -2.0562 -1.7616 -1.7616 2.0871 2.0871 3.0113 3.0113 3.1338 3.1338 3.2646 3.2646 8.0690 8.0690 9.4023 9.4023 10.1022 10.1022 k = 0.0000 0.0314-0.0000 ( 4965 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5247 -20.5247 -20.4044 -20.4044 -19.2134 -19.2134 -19.1828 -19.1828 -19.0506 -19.0506 -19.0156 -19.0156 -19.0103 -19.0103 -18.9947 -18.9947 -11.0898 -11.0898 -10.9606 -10.9606 -3.9468 -3.9468 -3.3808 -3.3808 -2.4174 -2.4174 -2.1294 -2.1294 -2.0568 -2.0568 -1.7604 -1.7604 2.0787 2.0787 3.0087 3.0087 3.1332 3.1332 3.2648 3.2648 8.0864 8.0864 9.3707 9.3707 10.1189 10.1189 k = 0.0000 0.0209-0.0000 ( 4965 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5244 -20.5244 -20.4035 -20.4035 -19.2139 -19.2139 -19.1831 -19.1831 -19.0512 -19.0512 -19.0158 -19.0158 -19.0107 -19.0107 -18.9947 -18.9947 -11.0890 -11.0890 -10.9592 -10.9592 -3.9473 -3.9473 -3.3811 -3.3811 -2.4190 -2.4190 -2.1264 -2.1264 -2.0573 -2.0573 -1.7596 -1.7596 2.0727 2.0727 3.0069 3.0069 3.1328 3.1328 3.2649 3.2649 8.0995 8.0995 9.3474 9.3474 10.1309 10.1309 k = 0.0000 0.0105-0.0000 ( 4971 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5242 -20.5242 -20.4029 -20.4029 -19.2142 -19.2142 -19.1833 -19.1833 -19.0516 -19.0516 -19.0159 -19.0159 -19.0110 -19.0110 -18.9947 -18.9947 -11.0885 -11.0885 -10.9583 -10.9583 -3.9476 -3.9476 -3.3813 -3.3813 -2.4201 -2.4201 -2.1246 -2.1246 -2.0576 -2.0576 -1.7591 -1.7591 2.0691 2.0691 3.0057 3.0057 3.1325 3.1325 3.2650 3.2650 8.1076 8.1076 9.3331 9.3331 10.1382 10.1382 k = 0.0000 0.0000 0.0000 ( 4967 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5242 -20.5242 -20.4027 -20.4027 -19.2143 -19.2143 -19.1833 -19.1833 -19.0517 -19.0517 -19.0159 -19.0159 -19.0111 -19.0111 -18.9947 -18.9947 -11.0884 -11.0884 -10.9580 -10.9580 -3.9477 -3.9477 -3.3813 -3.3813 -2.4204 -2.4204 -2.1240 -2.1240 -2.0577 -2.0577 -1.7589 -1.7589 2.0679 2.0679 3.0054 3.0054 3.1324 3.1324 3.2651 3.2651 8.1104 8.1104 9.3283 9.3283 10.1406 10.1406 k = 0.0000 0.0000 0.0000 ( 4967 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5242 -20.5242 -20.4027 -20.4027 -19.2143 -19.2143 -19.1833 -19.1833 -19.0517 -19.0517 -19.0159 -19.0159 -19.0111 -19.0111 -18.9947 -18.9947 -11.0884 -11.0884 -10.9580 -10.9580 -3.9477 -3.9477 -3.3813 -3.3813 -2.4204 -2.4204 -2.1240 -2.1240 -2.0577 -2.0577 -1.7589 -1.7589 2.0679 2.0679 3.0054 3.0054 3.1324 3.1324 3.2651 3.2651 8.1104 8.1104 9.3283 9.3283 10.1406 10.1406 k = 0.0000 0.0000 0.0104 ( 4969 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5242 -20.5242 -20.4029 -20.4029 -19.2142 -19.2142 -19.1833 -19.1833 -19.0516 -19.0516 -19.0158 -19.0158 -19.0111 -19.0111 -18.9946 -18.9946 -11.0884 -11.0884 -10.9582 -10.9582 -3.9475 -3.9475 -3.3821 -3.3821 -2.4198 -2.4198 -2.1239 -2.1239 -2.0575 -2.0575 -1.7591 -1.7591 2.0688 2.0688 3.0049 3.0049 3.1325 3.1325 3.2650 3.2650 8.1095 8.1095 9.3246 9.3246 10.1432 10.1432 k = 0.0000 0.0000 0.0209 ( 4969 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5243 -20.5243 -20.4036 -20.4036 -19.2139 -19.2139 -19.1832 -19.1832 -19.0512 -19.0512 -19.0157 -19.0157 -19.0111 -19.0111 -18.9945 -18.9945 -11.0885 -11.0885 -10.9588 -10.9588 -3.9470 -3.9470 -3.3845 -3.3845 -2.4178 -2.4178 -2.1236 -2.1236 -2.0569 -2.0569 -1.7599 -1.7599 2.0715 2.0715 3.0035 3.0035 3.1329 3.1329 3.2647 3.2647 8.1069 8.1069 9.3135 9.3135 10.1509 10.1509 k = 0.0000 0.0000 0.0313 ( 4971 PWs) bands (ev): -47.1351 -47.1351 -47.1331 -47.1331 -20.5244 -20.5244 -20.4047 -20.4047 -19.2135 -19.2135 -19.1830 -19.1830 -19.0506 -19.0506 -19.0155 -19.0155 -19.0111 -19.0111 -18.9943 -18.9943 -11.0885 -11.0885 -10.9598 -10.9598 -3.9461 -3.9461 -3.3885 -3.3885 -2.4146 -2.4146 -2.1231 -2.1231 -2.0559 -2.0559 -1.7611 -1.7611 2.0759 2.0759 3.0012 3.0012 3.1335 3.1335 3.2644 3.2644 8.1026 8.1026 9.2954 9.2954 10.1636 10.1636 k = 0.0000 0.0000 0.0418 ( 4959 PWs) bands (ev): -47.1350 -47.1350 -47.1331 -47.1331 -20.5245 -20.5245 -20.4061 -20.4061 -19.2128 -19.2128 -19.1827 -19.1827 -19.0498 -19.0498 -19.0151 -19.0151 -19.0110 -19.0110 -18.9940 -18.9940 -11.0887 -11.0887 -10.9612 -10.9612 -3.9449 -3.9449 -3.3939 -3.3939 -2.4102 -2.4102 -2.1224 -2.1224 -2.0545 -2.0545 -1.7627 -1.7627 2.0820 2.0820 2.9980 2.9980 3.1344 3.1344 3.2639 3.2639 8.0969 8.0969 9.2707 9.2707 10.1813 10.1813 k = 0.0000 0.0000 0.0522 ( 4963 PWs) bands (ev): -47.1350 -47.1350 -47.1331 -47.1331 -20.5246 -20.5246 -20.4080 -20.4080 -19.2120 -19.2120 -19.1824 -19.1824 -19.0488 -19.0488 -19.0146 -19.0146 -19.0109 -19.0109 -18.9937 -18.9937 -11.0888 -11.0888 -10.9630 -10.9630 -3.9433 -3.9433 -3.4009 -3.4009 -2.4046 -2.4046 -2.1216 -2.1216 -2.0527 -2.0527 -1.7649 -1.7649 2.0899 2.0899 2.9938 2.9938 3.1355 3.1355 3.2633 3.2633 8.0898 8.0898 9.2400 9.2400 10.2036 10.2036 k = 0.0000 0.0000 0.0627 ( 4969 PWs) bands (ev): -47.1350 -47.1350 -47.1332 -47.1332 -20.5248 -20.5248 -20.4103 -20.4103 -19.2111 -19.2111 -19.1821 -19.1821 -19.0477 -19.0477 -19.0141 -19.0141 -19.0109 -19.0109 -18.9932 -18.9932 -11.0890 -11.0890 -10.9652 -10.9652 -3.9413 -3.9413 -3.4092 -3.4092 -2.3980 -2.3980 -2.1207 -2.1207 -2.0506 -2.0506 -1.7675 -1.7675 2.0994 2.0994 2.9886 2.9886 3.1369 3.1369 3.2626 3.2626 8.0816 8.0816 9.2040 9.2040 10.2304 10.2304 k = 0.0000 0.0000 0.0731 ( 4969 PWs) bands (ev): -47.1350 -47.1350 -47.1332 -47.1332 -20.5250 -20.5250 -20.4130 -20.4130 -19.2100 -19.2100 -19.1817 -19.1817 -19.0463 -19.0463 -19.0135 -19.0135 -19.0108 -19.0108 -18.9926 -18.9926 -11.0891 -11.0891 -10.9678 -10.9678 -3.9389 -3.9389 -3.4188 -3.4188 -2.3904 -2.3904 -2.1197 -2.1197 -2.0480 -2.0480 -1.7706 -1.7706 2.1105 2.1105 2.9825 2.9825 3.1384 3.1384 3.2617 3.2617 8.0726 8.0726 9.1634 9.1634 10.2615 10.2615 k = 0.0000 0.0000 0.0836 ( 4969 PWs) bands (ev): -47.1350 -47.1350 -47.1332 -47.1332 -20.5252 -20.5252 -20.4160 -20.4160 -19.2087 -19.2087 -19.1813 -19.1813 -19.0448 -19.0448 -19.0127 -19.0127 -19.0108 -19.0108 -18.9920 -18.9920 -11.0893 -11.0893 -10.9706 -10.9706 -3.9362 -3.9362 -3.4295 -3.4295 -2.3819 -2.3819 -2.1186 -2.1186 -2.0451 -2.0451 -1.7741 -1.7741 2.1232 2.1232 2.9754 2.9754 3.1403 3.1403 3.2606 3.2606 8.0630 8.0630 9.1190 9.1190 10.2966 10.2966 k = 0.0000 0.0000 0.0940 ( 4971 PWs) bands (ev): -47.1349 -47.1349 -47.1332 -47.1332 -20.5253 -20.5253 -20.4193 -20.4193 -19.2074 -19.2074 -19.1809 -19.1809 -19.0430 -19.0430 -19.0119 -19.0119 -19.0109 -19.0109 -18.9913 -18.9913 -11.0894 -11.0894 -10.9738 -10.9738 -3.9330 -3.9330 -3.4414 -3.4414 -2.3725 -2.3725 -2.1175 -2.1175 -2.0418 -2.0418 -1.7780 -1.7780 2.1374 2.1374 2.9674 2.9674 3.1423 3.1423 3.2595 3.2595 8.0531 8.0531 9.0715 9.0715 10.3353 10.3353 k = 0.0000 0.0000 0.1045 ( 4973 PWs) bands (ev): -47.1349 -47.1349 -47.1333 -47.1333 -20.5255 -20.5255 -20.4229 -20.4229 -19.2059 -19.2059 -19.1805 -19.1805 -19.0412 -19.0412 -19.0110 -19.0110 -19.0109 -19.0109 -18.9905 -18.9905 -11.0894 -11.0894 -10.9773 -10.9773 -3.9293 -3.9293 -3.4543 -3.4543 -2.3625 -2.3625 -2.1165 -2.1165 -2.0381 -2.0381 -1.7823 -1.7823 2.1531 2.1531 2.9584 2.9584 3.1445 3.1445 3.2581 3.2581 8.0432 8.0432 9.0214 9.0214 10.3774 10.3774 k = 0.0000 0.0000 0.1149 ( 4967 PWs) bands (ev): -47.1349 -47.1349 -47.1333 -47.1333 -20.5255 -20.5255 -20.4267 -20.4267 -19.2044 -19.2044 -19.1801 -19.1801 -19.0393 -19.0393 -19.0109 -19.0109 -19.0099 -19.0099 -18.9896 -18.9896 -11.0894 -11.0894 -10.9811 -10.9811 -3.9252 -3.9252 -3.4680 -3.4680 -2.3519 -2.3519 -2.1155 -2.1155 -2.0341 -2.0341 -1.7870 -1.7870 2.1702 2.1702 2.9484 2.9484 3.1470 3.1470 3.2567 3.2567 8.0336 8.0336 8.9695 8.9695 10.4227 10.4227 k = 0.0000 0.0000 0.1253 ( 4963 PWs) bands (ev): -47.1349 -47.1349 -47.1333 -47.1333 -20.5255 -20.5255 -20.4307 -20.4307 -19.2029 -19.2029 -19.1797 -19.1797 -19.0373 -19.0373 -19.0110 -19.0110 -19.0087 -19.0087 -18.9887 -18.9887 -11.0894 -11.0894 -10.9851 -10.9851 -3.9206 -3.9206 -3.4824 -3.4824 -2.3408 -2.3408 -2.1146 -2.1146 -2.0298 -2.0298 -1.7921 -1.7921 2.1885 2.1885 2.9375 2.9375 3.1496 3.1496 3.2551 3.2551 8.0246 8.0246 8.9163 8.9163 10.4708 10.4708 k = 0.0000 0.0000 0.1358 ( 4951 PWs) bands (ev): -47.1348 -47.1348 -47.1333 -47.1333 -20.5255 -20.5255 -20.4350 -20.4350 -19.2012 -19.2012 -19.1792 -19.1792 -19.0354 -19.0354 -19.0110 -19.0110 -19.0074 -19.0074 -18.9876 -18.9876 -11.0892 -11.0892 -10.9893 -10.9893 -3.9155 -3.9155 -3.4975 -3.4975 -2.3292 -2.3292 -2.1138 -2.1138 -2.0250 -2.0250 -1.7976 -1.7976 2.2081 2.2081 2.9255 2.9255 3.1523 3.1523 3.2534 3.2534 8.0163 8.0163 8.8623 8.8623 10.5215 10.5215 k = 0.0000 0.0000 0.1462 ( 4965 PWs) bands (ev): -47.1348 -47.1348 -47.1334 -47.1334 -20.5253 -20.5253 -20.4393 -20.4393 -19.1997 -19.1997 -19.1789 -19.1789 -19.0335 -19.0335 -19.0112 -19.0112 -19.0060 -19.0060 -18.9866 -18.9866 -11.0890 -11.0890 -10.9937 -10.9937 -3.9099 -3.9099 -3.5132 -3.5132 -2.3175 -2.3175 -2.1133 -2.1133 -2.0200 -2.0200 -1.8034 -1.8034 2.2288 2.2288 2.9124 2.9124 3.1553 3.1553 3.2515 3.2515 8.0091 8.0091 8.8079 8.8079 10.5744 10.5744 k = 0.0000 0.0000 0.1567 ( 4961 PWs) bands (ev): -47.1348 -47.1348 -47.1334 -47.1334 -20.5251 -20.5251 -20.4438 -20.4438 -19.1981 -19.1981 -19.1786 -19.1786 -19.0317 -19.0317 -19.0113 -19.0113 -19.0044 -19.0044 -18.9855 -18.9855 -11.0886 -11.0886 -10.9983 -10.9983 -3.9038 -3.9038 -3.5293 -3.5293 -2.3055 -2.3055 -2.1130 -2.1130 -2.0147 -2.0147 -1.8095 -1.8095 2.2505 2.2505 2.8985 2.8985 3.1584 3.1584 3.2495 3.2495 8.0032 8.0032 8.7536 8.7536 10.6294 10.6294 k = 0.0000 0.0000 0.1671 ( 4967 PWs) bands (ev): -47.1347 -47.1347 -47.1335 -47.1335 -20.5247 -20.5247 -20.4484 -20.4484 -19.1965 -19.1965 -19.1784 -19.1784 -19.0299 -19.0299 -19.0116 -19.0116 -19.0027 -19.0027 -18.9845 -18.9845 -11.0880 -11.0880 -11.0030 -11.0030 -3.8972 -3.8972 -3.5457 -3.5457 -2.2934 -2.2934 -2.1131 -2.1131 -2.0091 -2.0091 -1.8159 -1.8159 2.2731 2.2731 2.8834 2.8834 3.1616 3.1616 3.2473 3.2473 7.9989 7.9989 8.6996 8.6996 10.6863 10.6863 k = 0.0000 0.0000 0.1776 ( 4967 PWs) bands (ev): -47.1347 -47.1347 -47.1335 -47.1335 -20.5241 -20.5241 -20.4530 -20.4530 -19.1950 -19.1950 -19.1782 -19.1782 -19.0283 -19.0283 -19.0118 -19.0118 -19.0009 -19.0009 -18.9835 -18.9835 -11.0873 -11.0873 -11.0077 -11.0077 -3.8899 -3.8899 -3.5625 -3.5625 -2.2813 -2.2813 -2.1135 -2.1135 -2.0032 -2.0032 -1.8226 -1.8226 2.2967 2.2967 2.8675 2.8675 3.1649 3.1649 3.2450 3.2450 7.9962 7.9962 8.6465 8.6465 10.7447 10.7447 k = 0.0000 0.0000 0.1880 ( 4967 PWs) bands (ev): -47.1346 -47.1346 -47.1335 -47.1335 -20.5234 -20.5234 -20.4577 -20.4577 -19.1935 -19.1935 -19.1780 -19.1780 -19.0268 -19.0268 -19.0120 -19.0120 -18.9990 -18.9990 -18.9825 -18.9825 -11.0864 -11.0864 -11.0126 -11.0126 -3.8821 -3.8821 -3.5794 -3.5794 -2.2693 -2.2693 -2.1143 -2.1143 -1.9969 -1.9969 -1.8295 -1.8295 2.3209 2.3209 2.8505 2.8505 3.1683 3.1683 3.2426 3.2426 7.9954 7.9954 8.5943 8.5943 10.8045 10.8045 k = 0.0000 0.0000 0.1985 ( 4977 PWs) bands (ev): -47.1346 -47.1346 -47.1336 -47.1336 -20.5226 -20.5226 -20.4623 -20.4623 -19.1921 -19.1921 -19.1779 -19.1779 -19.0255 -19.0255 -19.0123 -19.0123 -18.9971 -18.9971 -18.9816 -18.9816 -11.0853 -11.0853 -11.0174 -11.0174 -3.8737 -3.8737 -3.5964 -3.5964 -2.2574 -2.2574 -2.1155 -2.1155 -1.9905 -1.9905 -1.8367 -1.8367 2.3458 2.3458 2.8326 2.8326 3.1718 3.1718 3.2401 3.2401 7.9967 7.9967 8.5434 8.5434 10.8655 10.8655 k = 0.0000 0.0000 0.2089 ( 4981 PWs) bands (ev): -47.1346 -47.1346 -47.1336 -47.1336 -20.5215 -20.5215 -20.4669 -20.4669 -19.1907 -19.1907 -19.1779 -19.1779 -19.0242 -19.0242 -19.0126 -19.0126 -18.9951 -18.9951 -18.9808 -18.9808 -11.0840 -11.0840 -11.0223 -11.0223 -3.8648 -3.8648 -3.6135 -3.6135 -2.2456 -2.2456 -2.1172 -2.1172 -1.9838 -1.9838 -1.8441 -1.8441 2.3712 2.3712 2.8137 2.8137 3.1754 3.1754 3.2374 3.2374 8.0001 8.0001 8.4940 8.4940 10.9274 10.9274 k = 0.0000 0.0000 0.2194 ( 4985 PWs) bands (ev): -47.1345 -47.1345 -47.1337 -47.1337 -20.5203 -20.5203 -20.4715 -20.4715 -19.1894 -19.1894 -19.1780 -19.1780 -19.0231 -19.0231 -19.0129 -19.0129 -18.9931 -18.9931 -18.9801 -18.9801 -11.0825 -11.0825 -11.0272 -11.0272 -3.8552 -3.8552 -3.6305 -3.6305 -2.2342 -2.2342 -2.1194 -2.1194 -1.9768 -1.9768 -1.8516 -1.8516 2.3971 2.3971 2.7939 2.7939 3.1791 3.1791 3.2346 3.2346 8.0058 8.0058 8.4464 8.4464 10.9901 10.9901 k = 0.0000 0.0000 0.2298 ( 4983 PWs) bands (ev): -47.1345 -47.1345 -47.1337 -47.1337 -20.5189 -20.5189 -20.4759 -20.4759 -19.1881 -19.1881 -19.1781 -19.1781 -19.0220 -19.0220 -19.0133 -19.0133 -18.9911 -18.9911 -18.9795 -18.9795 -11.0807 -11.0807 -11.0319 -11.0319 -3.8450 -3.8450 -3.6473 -3.6473 -2.2231 -2.2231 -2.1222 -2.1222 -1.9697 -1.9697 -1.8593 -1.8593 2.4233 2.4233 2.7733 2.7733 3.1828 3.1828 3.2317 3.2317 8.0140 8.0140 8.4006 8.4006 11.0534 11.0534 k = 0.0000 0.0000 0.2402 ( 4979 PWs) bands (ev): -47.1344 -47.1344 -47.1338 -47.1338 -20.5172 -20.5172 -20.4802 -20.4802 -19.1868 -19.1868 -19.1783 -19.1783 -19.0210 -19.0210 -19.0137 -19.0137 -18.9891 -18.9891 -18.9791 -18.9791 -11.0787 -11.0787 -11.0366 -11.0366 -3.8342 -3.8342 -3.6640 -3.6640 -2.2123 -2.2123 -2.1255 -2.1255 -1.9623 -1.9623 -1.8672 -1.8672 2.4498 2.4498 2.7518 2.7518 3.1865 3.1865 3.2287 3.2287 8.0246 8.0246 8.3568 8.3568 11.1172 11.1172 k = 0.0000 0.0000 0.2507 ( 4975 PWs) bands (ev): -47.1344 -47.1344 -47.1338 -47.1338 -20.5153 -20.5153 -20.4843 -20.4843 -19.1857 -19.1857 -19.1786 -19.1786 -19.0201 -19.0201 -19.0141 -19.0141 -18.9873 -18.9873 -18.9789 -18.9789 -11.0765 -11.0765 -11.0412 -11.0412 -3.8228 -3.8228 -3.6805 -3.6805 -2.2020 -2.2020 -2.1294 -2.1294 -1.9548 -1.9548 -1.8751 -1.8751 2.4764 2.4764 2.7295 2.7295 3.1902 3.1902 3.2256 3.2256 8.0378 8.0378 8.3153 8.3153 11.1812 11.1812 k = 0.0000 0.0000 0.2611 ( 4971 PWs) bands (ev): -47.1343 -47.1343 -47.1339 -47.1339 -20.5132 -20.5132 -20.4884 -20.4884 -19.1846 -19.1846 -19.1789 -19.1789 -19.0193 -19.0193 -19.0145 -19.0145 -18.9856 -18.9856 -18.9788 -18.9788 -11.0740 -11.0740 -11.0456 -11.0456 -3.8109 -3.8109 -3.6967 -3.6967 -2.1922 -2.1922 -2.1340 -2.1340 -1.9472 -1.9472 -1.8831 -1.8831 2.5030 2.5030 2.7065 2.7065 3.1940 3.1940 3.2223 3.2223 8.0537 8.0537 8.2760 8.2760 11.2452 11.2452 k = 0.0000 0.0000 0.2716 ( 4984 PWs) bands (ev): -47.1343 -47.1343 -47.1339 -47.1339 -20.5109 -20.5109 -20.4922 -20.4922 -19.1836 -19.1836 -19.1794 -19.1794 -19.0186 -19.0186 -19.0150 -19.0150 -18.9841 -18.9841 -18.9790 -18.9790 -11.0713 -11.0713 -11.0499 -11.0499 -3.7984 -3.7984 -3.7125 -3.7125 -2.1829 -2.1829 -2.1391 -2.1391 -1.9394 -1.9394 -1.8911 -1.8911 2.5296 2.5296 2.6827 2.6827 3.1977 3.1977 3.2190 3.2190 8.0722 8.0722 8.2391 8.2391 11.3092 11.3092 k = 0.0000 0.0000 0.2820 ( 4978 PWs) bands (ev): -47.1342 -47.1342 -47.1340 -47.1340 -20.5083 -20.5083 -20.4959 -20.4959 -19.1827 -19.1827 -19.1799 -19.1799 -19.0179 -19.0179 -19.0155 -19.0155 -18.9827 -18.9827 -18.9793 -18.9793 -11.0683 -11.0683 -11.0540 -11.0540 -3.7854 -3.7854 -3.7280 -3.7280 -2.1741 -2.1741 -2.1449 -2.1449 -1.9315 -1.9315 -1.8992 -1.8992 2.5560 2.5560 2.6583 2.6583 3.2013 3.2013 3.2156 3.2156 8.0933 8.0933 8.2048 8.2048 11.3729 11.3729 k = 0.0000 0.0000 0.2925 ( 4974 PWs) bands (ev): -47.1342 -47.1342 -47.1340 -47.1340 -20.5056 -20.5056 -20.4993 -20.4993 -19.1818 -19.1818 -19.1804 -19.1804 -19.0172 -19.0172 -19.0160 -19.0160 -18.9815 -18.9815 -18.9799 -18.9799 -11.0650 -11.0650 -11.0579 -11.0579 -3.7717 -3.7717 -3.7430 -3.7430 -2.1659 -2.1659 -2.1513 -2.1513 -1.9235 -1.9235 -1.9073 -1.9073 2.5822 2.5822 2.6334 2.6334 3.2050 3.2050 3.2122 3.2122 8.1172 8.1172 8.1730 8.1730 11.4362 11.4362 k = 0.0000 0.0000 0.3029 ( 4968 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5025 -20.5025 -20.5025 -20.5025 -19.1811 -19.1811 -19.1811 -19.1811 -19.0166 -19.0166 -19.0166 -19.0166 -18.9805 -18.9805 -18.9805 -18.9805 -11.0616 -11.0616 -11.0616 -11.0616 -3.7576 -3.7576 -3.7576 -3.7576 -2.1582 -2.1582 -2.1582 -2.1582 -1.9154 -1.9154 -1.9154 -1.9154 2.6080 2.6080 2.6080 2.6080 3.2086 3.2086 3.2086 3.2086 8.1438 8.1438 8.1438 8.1438 11.4988 11.4988 k = 0.0000 0.0000 0.3029 ( 4968 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5025 -20.5025 -20.5025 -20.5025 -19.1811 -19.1811 -19.1811 -19.1811 -19.0166 -19.0166 -19.0166 -19.0166 -18.9805 -18.9805 -18.9805 -18.9805 -11.0616 -11.0616 -11.0616 -11.0616 -3.7576 -3.7576 -3.7576 -3.7576 -2.1582 -2.1582 -2.1582 -2.1582 -1.9154 -1.9154 -1.9154 -1.9154 2.6080 2.6080 2.6080 2.6080 3.2086 3.2086 3.2086 3.2086 8.1438 8.1438 8.1438 8.1438 11.4988 11.4988 k = 0.0104-0.0000 0.3029 ( 4972 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5025 -20.5025 -20.5025 -20.5025 -19.1812 -19.1812 -19.1809 -19.1809 -19.0168 -19.0168 -19.0165 -19.0165 -18.9805 -18.9805 -18.9805 -18.9805 -11.0615 -11.0615 -11.0615 -11.0615 -3.7574 -3.7574 -3.7574 -3.7574 -2.1589 -2.1589 -2.1581 -2.1581 -1.9167 -1.9167 -1.9158 -1.9158 2.6082 2.6082 2.6083 2.6083 3.2078 3.2078 3.2080 3.2080 8.1453 8.1453 8.1455 8.1455 11.4989 11.4991 k = 0.0208-0.0000 0.3029 ( 4972 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5025 -20.5025 -20.5025 -20.5025 -19.1814 -19.1814 -19.1807 -19.1807 -19.0170 -19.0170 -19.0163 -19.0163 -18.9804 -18.9804 -18.9803 -18.9803 -11.0614 -11.0614 -11.0614 -11.0614 -3.7567 -3.7567 -3.7567 -3.7567 -2.1602 -2.1602 -2.1585 -2.1585 -1.9196 -1.9196 -1.9177 -1.9177 2.6087 2.6087 2.6090 2.6090 3.2054 3.2054 3.2059 3.2059 8.1500 8.1500 8.1504 8.1504 11.4996 11.4997 k = 0.0312-0.0000 0.3029 ( 4972 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5025 -20.5025 -20.5024 -20.5024 -19.1815 -19.1815 -19.1805 -19.1805 -19.0172 -19.0172 -19.0162 -19.0162 -18.9802 -18.9802 -18.9801 -18.9801 -11.0612 -11.0612 -11.0611 -11.0611 -3.7555 -3.7555 -3.7555 -3.7555 -2.1620 -2.1620 -2.1595 -2.1595 -1.9241 -1.9241 -1.9212 -1.9212 2.6097 2.6097 2.6101 2.6101 3.2016 3.2016 3.2023 3.2023 8.1579 8.1579 8.1585 8.1585 11.5009 11.5009 k = 0.0417-0.0000 0.3029 ( 4980 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5025 -20.5025 -20.5024 -20.5024 -19.1816 -19.1816 -19.1803 -19.1803 -19.0175 -19.0175 -19.0162 -19.0162 -18.9800 -18.9800 -18.9798 -18.9798 -11.0608 -11.0608 -11.0608 -11.0608 -3.7539 -3.7539 -3.7539 -3.7539 -2.1645 -2.1645 -2.1611 -2.1611 -1.9301 -1.9301 -1.9262 -1.9262 2.6111 2.6111 2.6116 2.6116 3.1963 3.1963 3.1973 3.1973 8.1689 8.1689 8.1698 8.1698 11.5028 11.5028 k = 0.0521-0.0000 0.3029 ( 4976 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5024 -20.5024 -20.5023 -20.5023 -19.1816 -19.1816 -19.1801 -19.1801 -19.0177 -19.0177 -19.0161 -19.0161 -18.9796 -18.9796 -18.9795 -18.9795 -11.0604 -11.0604 -11.0604 -11.0604 -3.7518 -3.7518 -3.7518 -3.7518 -2.1677 -2.1677 -2.1634 -2.1634 -1.9375 -1.9375 -1.9326 -1.9326 2.6129 2.6129 2.6135 2.6135 3.1896 3.1896 3.1909 3.1909 8.1831 8.1831 8.1841 8.1841 11.5051 11.5051 k = 0.0625-0.0000 0.3029 ( 4968 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5024 -20.5024 -20.5022 -20.5022 -19.1817 -19.1817 -19.1798 -19.1798 -19.0180 -19.0180 -19.0161 -19.0161 -18.9792 -18.9792 -18.9790 -18.9790 -11.0599 -11.0599 -11.0599 -11.0599 -3.7493 -3.7493 -3.7492 -3.7492 -2.1718 -2.1718 -2.1664 -2.1664 -1.9461 -1.9461 -1.9402 -1.9402 2.6151 2.6151 2.6159 2.6159 3.1816 3.1816 3.1831 3.1831 8.2002 8.2002 8.2015 8.2015 11.5080 11.5080 k = 0.0729-0.0000 0.3029 ( 4970 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5023 -20.5023 -20.5021 -20.5021 -19.1817 -19.1817 -19.1795 -19.1795 -19.0183 -19.0183 -19.0161 -19.0161 -18.9787 -18.9787 -18.9784 -18.9784 -11.0593 -11.0593 -11.0592 -11.0592 -3.7463 -3.7463 -3.7462 -3.7462 -2.1767 -2.1767 -2.1704 -2.1704 -1.9559 -1.9559 -1.9488 -1.9488 2.6177 2.6177 2.6186 2.6186 3.1721 3.1721 3.1739 3.1739 8.2204 8.2204 8.2219 8.2219 11.5114 11.5114 k = 0.0833-0.0000 0.3029 ( 4976 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5022 -20.5022 -20.5019 -20.5019 -19.1817 -19.1817 -19.1792 -19.1792 -19.0187 -19.0187 -19.0161 -19.0161 -18.9781 -18.9781 -18.9778 -18.9778 -11.0586 -11.0586 -11.0586 -11.0586 -3.7428 -3.7428 -3.7427 -3.7427 -2.1828 -2.1828 -2.1754 -2.1754 -1.9665 -1.9665 -1.9582 -1.9582 2.6207 2.6207 2.6217 2.6217 3.1614 3.1614 3.1635 3.1635 8.2434 8.2434 8.2451 8.2451 11.5152 11.5152 k = 0.0938-0.0000 0.3029 ( 4960 PWs) bands (ev): -47.1338 -47.1338 -47.1338 -47.1338 -20.5021 -20.5021 -20.5018 -20.5018 -19.1817 -19.1817 -19.1788 -19.1788 -19.0190 -19.0190 -19.0161 -19.0161 -18.9775 -18.9775 -18.9771 -18.9771 -11.0578 -11.0578 -11.0578 -11.0578 -3.7389 -3.7389 -3.7388 -3.7388 -2.1901 -2.1901 -2.1816 -2.1816 -1.9776 -1.9776 -1.9682 -1.9682 2.6240 2.6240 2.6252 2.6252 3.1496 3.1496 3.1519 3.1519 8.2692 8.2692 8.2712 8.2712 11.5195 11.5195 k = 0.1042-0.0000 0.3029 ( 4964 PWs) bands (ev): -47.1337 -47.1337 -47.1337 -47.1337 -20.5019 -20.5019 -20.5017 -20.5017 -19.1817 -19.1817 -19.1785 -19.1785 -19.0193 -19.0193 -19.0161 -19.0161 -18.9768 -18.9768 -18.9764 -18.9764 -11.0569 -11.0569 -11.0569 -11.0569 -3.7346 -3.7346 -3.7345 -3.7345 -2.1988 -2.1988 -2.1893 -2.1893 -1.9891 -1.9891 -1.9785 -1.9785 2.6276 2.6276 2.6290 2.6290 3.1364 3.1364 3.1390 3.1390 8.2977 8.2977 8.2999 8.2999 11.5243 11.5243 k = 0.1146-0.0000 0.3029 ( 4952 PWs) bands (ev): -47.1337 -47.1337 -47.1337 -47.1337 -20.5018 -20.5018 -20.5015 -20.5015 -19.1816 -19.1816 -19.1781 -19.1781 -19.0196 -19.0196 -19.0161 -19.0161 -18.9761 -18.9761 -18.9757 -18.9757 -11.0560 -11.0560 -11.0560 -11.0560 -3.7299 -3.7299 -3.7298 -3.7298 -2.2091 -2.2091 -2.1987 -2.1987 -2.0004 -2.0004 -1.9888 -1.9888 2.6316 2.6316 2.6332 2.6332 3.1223 3.1223 3.1252 3.1252 8.3288 8.3288 8.3311 8.3311 11.5294 11.5294 k = 0.1250-0.0000 0.3029 ( 4952 PWs) bands (ev): -47.1336 -47.1336 -47.1336 -47.1336 -20.5017 -20.5017 -20.5013 -20.5013 -19.1815 -19.1815 -19.1777 -19.1777 -19.0199 -19.0199 -19.0161 -19.0161 -18.9753 -18.9753 -18.9748 -18.9748 -11.0550 -11.0550 -11.0549 -11.0549 -3.7247 -3.7247 -3.7246 -3.7246 -2.2213 -2.2213 -2.2099 -2.2099 -2.0115 -2.0115 -1.9989 -1.9989 2.6359 2.6359 2.6376 2.6376 3.1071 3.1071 3.1103 3.1103 8.3622 8.3622 8.3648 8.3648 11.5349 11.5349 k = 0.1354-0.0000 0.3029 ( 4956 PWs) bands (ev): -47.1335 -47.1335 -47.1335 -47.1335 -20.5015 -20.5015 -20.5012 -20.5012 -19.1815 -19.1815 -19.1774 -19.1774 -19.0203 -19.0203 -19.0161 -19.0161 -18.9745 -18.9745 -18.9740 -18.9740 -11.0539 -11.0539 -11.0539 -11.0539 -3.7192 -3.7192 -3.7190 -3.7190 -2.2353 -2.2353 -2.2233 -2.2233 -2.0219 -2.0219 -2.0085 -2.0085 2.6404 2.6404 2.6423 2.6423 3.0910 3.0910 3.0945 3.0945 8.3980 8.3980 8.4008 8.4008 11.5407 11.5407 k = 0.1458-0.0000 0.3029 ( 4950 PWs) bands (ev): -47.1334 -47.1334 -47.1334 -47.1334 -20.5014 -20.5014 -20.5010 -20.5010 -19.1813 -19.1813 -19.1770 -19.1770 -19.0206 -19.0206 -19.0161 -19.0161 -18.9736 -18.9736 -18.9731 -18.9731 -11.0527 -11.0527 -11.0527 -11.0527 -3.7132 -3.7132 -3.7131 -3.7131 -2.2513 -2.2513 -2.2388 -2.2388 -2.0314 -2.0314 -2.0175 -2.0175 2.6451 2.6451 2.6473 2.6473 3.0741 3.0741 3.0779 3.0779 8.4359 8.4359 8.4390 8.4390 11.5468 11.5468 k = 0.1562-0.0000 0.3029 ( 4952 PWs) bands (ev): -47.1333 -47.1333 -47.1333 -47.1333 -20.5012 -20.5012 -20.5008 -20.5008 -19.1812 -19.1812 -19.1765 -19.1765 -19.0209 -19.0209 -19.0161 -19.0161 -18.9727 -18.9727 -18.9722 -18.9722 -11.0515 -11.0515 -11.0515 -11.0515 -3.7069 -3.7069 -3.7068 -3.7068 -2.2693 -2.2693 -2.2566 -2.2566 -2.0400 -2.0400 -2.0258 -2.0258 2.6501 2.6501 2.6525 2.6525 3.0564 3.0564 3.0606 3.0606 8.4758 8.4758 8.4791 8.4791 11.5532 11.5532 k = 0.1667-0.0000 0.3029 ( 4954 PWs) bands (ev): -47.1333 -47.1333 -47.1333 -47.1333 -20.5011 -20.5011 -20.5006 -20.5006 -19.1811 -19.1811 -19.1761 -19.1761 -19.0212 -19.0212 -19.0161 -19.0161 -18.9718 -18.9718 -18.9712 -18.9712 -11.0503 -11.0503 -11.0502 -11.0502 -3.7002 -3.7002 -3.7001 -3.7001 -2.2893 -2.2893 -2.2764 -2.2764 -2.0476 -2.0476 -2.0332 -2.0332 2.6552 2.6552 2.6579 2.6579 3.0381 3.0381 3.0427 3.0427 8.5176 8.5176 8.5211 8.5211 11.5598 11.5598 k = 0.1771-0.0000 0.3029 ( 4946 PWs) bands (ev): -47.1332 -47.1332 -47.1332 -47.1332 -20.5009 -20.5009 -20.5004 -20.5004 -19.1810 -19.1810 -19.1757 -19.1757 -19.0215 -19.0215 -19.0160 -19.0160 -18.9708 -18.9708 -18.9702 -18.9702 -11.0489 -11.0489 -11.0489 -11.0489 -3.6932 -3.6932 -3.6930 -3.6930 -2.3110 -2.3110 -2.2982 -2.2982 -2.0542 -2.0542 -2.0398 -2.0398 2.6604 2.6604 2.6635 2.6635 3.0192 3.0192 3.0242 3.0242 8.5612 8.5612 8.5649 8.5649 11.5667 11.5667 k = 0.1875-0.0000 0.3029 ( 4932 PWs) bands (ev): -47.1330 -47.1330 -47.1330 -47.1330 -20.5007 -20.5007 -20.5002 -20.5002 -19.1808 -19.1808 -19.1752 -19.1752 -19.0217 -19.0217 -19.0159 -19.0159 -18.9699 -18.9699 -18.9692 -18.9692 -11.0476 -11.0476 -11.0476 -11.0476 -3.6858 -3.6858 -3.6856 -3.6856 -2.3343 -2.3343 -2.3218 -2.3218 -2.0599 -2.0599 -2.0456 -2.0456 2.6658 2.6658 2.6692 2.6692 2.9999 2.9999 3.0054 3.0054 8.6062 8.6062 8.6102 8.6102 11.5737 11.5737 k = 0.1979-0.0000 0.3029 ( 4940 PWs) bands (ev): -47.1329 -47.1329 -47.1329 -47.1329 -20.5006 -20.5006 -20.5001 -20.5001 -19.1807 -19.1807 -19.1748 -19.1748 -19.0220 -19.0220 -19.0159 -19.0159 -18.9689 -18.9689 -18.9682 -18.9682 -11.0462 -11.0462 -11.0462 -11.0462 -3.6781 -3.6781 -3.6779 -3.6779 -2.3591 -2.3591 -2.3469 -2.3469 -2.0648 -2.0648 -2.0507 -2.0507 2.6711 2.6711 2.6749 2.6749 2.9802 2.9802 2.9863 2.9863 8.6527 8.6527 8.6568 8.6568 11.5809 11.5809 k = 0.2083-0.0000 0.3029 ( 4938 PWs) bands (ev): -47.1328 -47.1328 -47.1328 -47.1328 -20.5004 -20.5004 -20.4999 -20.4999 -19.1805 -19.1805 -19.1743 -19.1743 -19.0222 -19.0222 -19.0158 -19.0158 -18.9679 -18.9679 -18.9672 -18.9672 -11.0448 -11.0448 -11.0447 -11.0447 -3.6701 -3.6701 -3.6699 -3.6699 -2.3851 -2.3851 -2.3733 -2.3733 -2.0690 -2.0690 -2.0552 -2.0552 2.6763 2.6763 2.6807 2.6807 2.9604 2.9604 2.9670 2.9670 8.7004 8.7004 8.7048 8.7048 11.5883 11.5883 k = 0.2188-0.0000 0.3029 ( 4938 PWs) bands (ev): -47.1327 -47.1327 -47.1327 -47.1327 -20.5003 -20.5003 -20.4997 -20.4997 -19.1804 -19.1804 -19.1738 -19.1738 -19.0224 -19.0224 -19.0157 -19.0157 -18.9670 -18.9670 -18.9662 -18.9662 -11.0433 -11.0433 -11.0433 -11.0433 -3.6618 -3.6618 -3.6616 -3.6616 -2.4122 -2.4122 -2.4007 -2.4007 -2.0727 -2.0727 -2.0592 -2.0592 2.6814 2.6814 2.6864 2.6864 2.9405 2.9405 2.9478 2.9478 8.7491 8.7491 8.7537 8.7537 11.5958 11.5958 k = 0.2292-0.0000 0.3029 ( 4942 PWs) bands (ev): -47.1326 -47.1326 -47.1326 -47.1326 -20.5001 -20.5001 -20.4995 -20.4995 -19.1802 -19.1802 -19.1734 -19.1734 -19.0226 -19.0226 -19.0156 -19.0156 -18.9660 -18.9660 -18.9652 -18.9652 -11.0419 -11.0419 -11.0418 -11.0418 -3.6532 -3.6532 -3.6530 -3.6530 -2.4401 -2.4401 -2.4290 -2.4290 -2.0759 -2.0759 -2.0627 -2.0627 2.6863 2.6863 2.6920 2.6920 2.9206 2.9206 2.9287 2.9287 8.7987 8.7987 8.8036 8.8036 11.6034 11.6034 k = 0.2396-0.0000 0.3029 ( 4948 PWs) bands (ev): -47.1325 -47.1325 -47.1325 -47.1325 -20.4999 -20.4999 -20.4993 -20.4993 -19.1801 -19.1801 -19.1730 -19.1730 -19.0228 -19.0228 -19.0155 -19.0155 -18.9651 -18.9651 -18.9642 -18.9642 -11.0404 -11.0404 -11.0403 -11.0403 -3.6444 -3.6444 -3.6442 -3.6442 -2.4687 -2.4687 -2.4579 -2.4579 -2.0788 -2.0788 -2.0659 -2.0659 2.6908 2.6908 2.6973 2.6973 2.9010 2.9010 2.9100 2.9100 8.8491 8.8491 8.8542 8.8542 11.6110 11.6110 k = 0.2500-0.0000 0.3029 ( 4944 PWs) bands (ev): -47.1324 -47.1324 -47.1324 -47.1324 -20.4998 -20.4998 -20.4992 -20.4992 -19.1799 -19.1799 -19.1725 -19.1725 -19.0230 -19.0230 -19.0153 -19.0153 -18.9641 -18.9641 -18.9632 -18.9632 -11.0389 -11.0389 -11.0388 -11.0388 -3.6353 -3.6353 -3.6351 -3.6351 -2.4977 -2.4977 -2.4873 -2.4873 -2.0813 -2.0813 -2.0687 -2.0687 2.6948 2.6948 2.7023 2.7023 2.8819 2.8819 2.8919 2.8919 8.9000 8.9000 8.9053 8.9053 11.6187 11.6187 k = 0.2604-0.0000 0.3029 ( 4950 PWs) bands (ev): -47.1323 -47.1323 -47.1323 -47.1323 -20.4996 -20.4996 -20.4990 -20.4990 -19.1797 -19.1797 -19.1721 -19.1721 -19.0231 -19.0231 -19.0152 -19.0152 -18.9632 -18.9632 -18.9622 -18.9622 -11.0374 -11.0374 -11.0373 -11.0373 -3.6260 -3.6260 -3.6258 -3.6258 -2.5271 -2.5271 -2.5170 -2.5170 -2.0835 -2.0835 -2.0712 -2.0712 2.6979 2.6979 2.7066 2.7066 2.8634 2.8634 2.8747 2.8747 8.9512 8.9512 8.9568 8.9568 11.6265 11.6265 k = 0.2708-0.0000 0.3029 ( 4950 PWs) bands (ev): -47.1322 -47.1322 -47.1322 -47.1322 -20.4995 -20.4995 -20.4988 -20.4988 -19.1795 -19.1795 -19.1716 -19.1716 -19.0232 -19.0232 -19.0150 -19.0150 -18.9622 -18.9622 -18.9612 -18.9612 -11.0359 -11.0359 -11.0359 -11.0359 -3.6164 -3.6164 -3.6163 -3.6163 -2.5566 -2.5566 -2.5469 -2.5469 -2.0855 -2.0855 -2.0734 -2.0734 2.7000 2.7000 2.7100 2.7100 2.8462 2.8462 2.8588 2.8588 9.0026 9.0026 9.0084 9.0084 11.6342 11.6342 k = 0.2812-0.0000 0.3029 ( 4950 PWs) bands (ev): -47.1321 -47.1321 -47.1321 -47.1321 -20.4994 -20.4994 -20.4987 -20.4987 -19.1793 -19.1793 -19.1711 -19.1711 -19.0234 -19.0234 -19.0148 -19.0148 -18.9613 -18.9613 -18.9602 -18.9602 -11.0344 -11.0344 -11.0344 -11.0344 -3.6067 -3.6067 -3.6065 -3.6065 -2.5862 -2.5862 -2.5767 -2.5767 -2.0874 -2.0874 -2.0755 -2.0755 2.7006 2.7006 2.7120 2.7120 2.8305 2.8305 2.8446 2.8446 9.0541 9.0541 9.0601 9.0601 11.6420 11.6420 k = 0.2917-0.0000 0.3029 ( 4958 PWs) bands (ev): -47.1320 -47.1320 -47.1320 -47.1320 -20.4992 -20.4992 -20.4985 -20.4985 -19.1792 -19.1792 -19.1707 -19.1707 -19.0235 -19.0235 -19.0147 -19.0147 -18.9604 -18.9604 -18.9593 -18.9593 -11.0330 -11.0330 -11.0329 -11.0329 -3.5968 -3.5968 -3.5967 -3.5967 -2.6157 -2.6157 -2.6065 -2.6065 -2.0890 -2.0890 -2.0774 -2.0774 2.6993 2.6993 2.7119 2.7119 2.8172 2.8172 2.8326 2.8326 9.1053 9.1053 9.1115 9.1115 11.6498 11.6498 k = 0.3021-0.0000 0.3029 ( 4958 PWs) bands (ev): -47.1319 -47.1319 -47.1319 -47.1319 -20.4991 -20.4991 -20.4984 -20.4984 -19.1790 -19.1790 -19.1703 -19.1703 -19.0235 -19.0235 -19.0145 -19.0145 -18.9595 -18.9595 -18.9583 -18.9583 -11.0315 -11.0315 -11.0315 -11.0315 -3.5868 -3.5868 -3.5867 -3.5867 -2.6450 -2.6450 -2.6359 -2.6359 -2.0906 -2.0906 -2.0791 -2.0791 2.6958 2.6958 2.7091 2.7091 2.8069 2.8069 2.8231 2.8231 9.1561 9.1561 9.1626 9.1626 11.6576 11.6576 k = 0.3125-0.0000 0.3029 ( 4954 PWs) bands (ev): -47.1318 -47.1318 -47.1318 -47.1318 -20.4990 -20.4990 -20.4982 -20.4982 -19.1788 -19.1788 -19.1699 -19.1699 -19.0236 -19.0236 -19.0143 -19.0143 -18.9586 -18.9586 -18.9574 -18.9574 -11.0301 -11.0301 -11.0301 -11.0301 -3.5766 -3.5766 -3.5765 -3.5765 -2.6739 -2.6739 -2.6650 -2.6650 -2.0920 -2.0920 -2.0807 -2.0807 2.6899 2.6899 2.7032 2.7032 2.8002 2.8002 2.8165 2.8165 9.2063 9.2063 9.2130 9.2130 11.6653 11.6653 k = 0.3229-0.0000 0.3029 ( 4958 PWs) bands (ev): -47.1317 -47.1317 -47.1317 -47.1317 -20.4989 -20.4989 -20.4981 -20.4981 -19.1786 -19.1786 -19.1695 -19.1695 -19.0236 -19.0236 -19.0141 -19.0141 -18.9578 -18.9578 -18.9566 -18.9566 -11.0288 -11.0288 -11.0287 -11.0287 -3.5664 -3.5664 -3.5663 -3.5663 -2.7023 -2.7023 -2.6936 -2.6936 -2.0933 -2.0933 -2.0821 -2.0821 2.6817 2.6817 2.6943 2.6943 2.7968 2.7968 2.8125 2.8125 9.2557 9.2557 9.2627 9.2627 11.6729 11.6729 k = 0.3333-0.0000 0.3029 ( 4958 PWs) bands (ev): -47.1316 -47.1316 -47.1316 -47.1316 -20.4988 -20.4988 -20.4980 -20.4980 -19.1784 -19.1784 -19.1691 -19.1691 -19.0237 -19.0237 -19.0139 -19.0139 -18.9570 -18.9570 -18.9557 -18.9557 -11.0275 -11.0275 -11.0274 -11.0274 -3.5561 -3.5561 -3.5560 -3.5560 -2.7302 -2.7302 -2.7216 -2.7216 -2.0945 -2.0945 -2.0834 -2.0834 2.6718 2.6718 2.6833 2.6833 2.7961 2.7961 2.8107 2.8107 9.3041 9.3041 9.3113 9.3113 11.6805 11.6805 k = 0.3438-0.0000 0.3029 ( 4958 PWs) bands (ev): -47.1315 -47.1315 -47.1315 -47.1315 -20.4987 -20.4987 -20.4979 -20.4979 -19.1783 -19.1783 -19.1687 -19.1687 -19.0237 -19.0237 -19.0136 -19.0136 -18.9562 -18.9562 -18.9549 -18.9549 -11.0262 -11.0262 -11.0261 -11.0261 -3.5458 -3.5458 -3.5458 -3.5458 -2.7573 -2.7573 -2.7489 -2.7489 -2.0956 -2.0956 -2.0847 -2.0847 2.6607 2.6607 2.6710 2.6710 2.7972 2.7972 2.8106 2.8106 9.3513 9.3513 9.3587 9.3587 11.6880 11.6880 k = 0.3542-0.0000 0.3029 ( 4956 PWs) bands (ev): -47.1314 -47.1314 -47.1314 -47.1314 -20.4986 -20.4986 -20.4978 -20.4978 -19.1781 -19.1781 -19.1683 -19.1683 -19.0237 -19.0237 -19.0134 -19.0134 -18.9555 -18.9555 -18.9541 -18.9541 -11.0250 -11.0250 -11.0249 -11.0249 -3.5355 -3.5355 -3.5355 -3.5355 -2.7837 -2.7837 -2.7753 -2.7753 -2.0966 -2.0966 -2.0858 -2.0858 2.6490 2.6490 2.6581 2.6581 2.7995 2.7995 2.8117 2.8117 9.3970 9.3970 9.4046 9.4046 11.6954 11.6954 k = 0.3646-0.0000 0.3029 ( 4956 PWs) bands (ev): -47.1314 -47.1314 -47.1314 -47.1314 -20.4985 -20.4985 -20.4977 -20.4977 -19.1779 -19.1779 -19.1680 -19.1680 -19.0237 -19.0237 -19.0132 -19.0132 -18.9548 -18.9548 -18.9534 -18.9534 -11.0238 -11.0238 -11.0237 -11.0237 -3.5253 -3.5253 -3.5252 -3.5252 -2.8091 -2.8091 -2.8008 -2.8008 -2.0976 -2.0976 -2.0869 -2.0869 2.6371 2.6371 2.6451 2.6451 2.8024 2.8024 2.8135 2.8135 9.4410 9.4410 9.4488 9.4488 11.7026 11.7026 k = 0.3750-0.0000 0.3029 ( 4960 PWs) bands (ev): -47.1313 -47.1313 -47.1313 -47.1313 -20.4985 -20.4985 -20.4976 -20.4976 -19.1778 -19.1778 -19.1677 -19.1677 -19.0237 -19.0237 -19.0130 -19.0130 -18.9541 -18.9541 -18.9527 -18.9527 -11.0227 -11.0227 -11.0226 -11.0226 -3.5152 -3.5152 -3.5151 -3.5151 -2.8335 -2.8335 -2.8253 -2.8253 -2.0985 -2.0985 -2.0878 -2.0878 2.6253 2.6253 2.6324 2.6324 2.8055 2.8055 2.8159 2.8159 9.4830 9.4830 9.4911 9.4911 11.7097 11.7097 k = 0.3854-0.0000 0.3029 ( 4956 PWs) bands (ev): -47.1312 -47.1312 -47.1312 -47.1312 -20.4984 -20.4984 -20.4976 -20.4976 -19.1776 -19.1776 -19.1674 -19.1674 -19.0236 -19.0236 -19.0128 -19.0128 -18.9535 -18.9535 -18.9521 -18.9521 -11.0217 -11.0217 -11.0216 -11.0216 -3.5053 -3.5053 -3.5051 -3.5051 -2.8568 -2.8568 -2.8486 -2.8486 -2.0993 -2.0993 -2.0887 -2.0887 2.6139 2.6139 2.6203 2.6203 2.8089 2.8089 2.8185 2.8185 9.5229 9.5229 9.5312 9.5312 11.7165 11.7165 k = 0.3958-0.0000 0.3029 ( 4956 PWs) bands (ev): -47.1311 -47.1311 -47.1311 -47.1311 -20.4984 -20.4984 -20.4975 -20.4975 -19.1775 -19.1775 -19.1671 -19.1671 -19.0236 -19.0236 -19.0126 -19.0126 -18.9530 -18.9530 -18.9515 -18.9515 -11.0207 -11.0207 -11.0206 -11.0206 -3.4957 -3.4957 -3.4954 -3.4954 -2.8788 -2.8788 -2.8706 -2.8706 -2.1000 -2.1000 -2.0895 -2.0895 2.6031 2.6031 2.6089 2.6089 2.8122 2.8122 2.8212 2.8212 9.5604 9.5604 9.5688 9.5688 11.7231 11.7231 k = 0.4062-0.0000 0.3029 ( 4954 PWs) bands (ev): -47.1311 -47.1311 -47.1311 -47.1311 -20.4983 -20.4983 -20.4974 -20.4974 -19.1774 -19.1774 -19.1668 -19.1668 -19.0236 -19.0236 -19.0125 -19.0125 -18.9524 -18.9524 -18.9509 -18.9509 -11.0199 -11.0199 -11.0198 -11.0198 -3.4864 -3.4864 -3.4860 -3.4860 -2.8995 -2.8995 -2.8913 -2.8913 -2.1007 -2.1007 -2.0902 -2.0902 2.5930 2.5930 2.5983 2.5983 2.8154 2.8154 2.8239 2.8239 9.5952 9.5952 9.6039 9.6039 11.7293 11.7293 k = 0.4167-0.0000 0.3029 ( 4954 PWs) bands (ev): -47.1310 -47.1310 -47.1310 -47.1310 -20.4983 -20.4983 -20.4974 -20.4974 -19.1772 -19.1772 -19.1666 -19.1666 -19.0236 -19.0236 -19.0123 -19.0123 -18.9519 -18.9519 -18.9504 -18.9504 -11.0191 -11.0191 -11.0190 -11.0190 -3.4775 -3.4775 -3.4770 -3.4770 -2.9186 -2.9186 -2.9104 -2.9104 -2.1012 -2.1012 -2.0908 -2.0908 2.5837 2.5837 2.5885 2.5885 2.8183 2.8183 2.8265 2.8265 9.6271 9.6271 9.6360 9.6360 11.7352 11.7352 k = 0.4271-0.0000 0.3029 ( 4958 PWs) bands (ev): -47.1310 -47.1310 -47.1310 -47.1310 -20.4982 -20.4982 -20.4973 -20.4973 -19.1772 -19.1772 -19.1664 -19.1664 -19.0236 -19.0236 -19.0122 -19.0122 -18.9515 -18.9515 -18.9499 -18.9499 -11.0184 -11.0184 -11.0183 -11.0183 -3.4692 -3.4692 -3.4686 -3.4686 -2.9361 -2.9361 -2.9278 -2.9278 -2.1018 -2.1018 -2.0914 -2.0914 2.5754 2.5754 2.5798 2.5798 2.8211 2.8211 2.8289 2.8289 9.6559 9.6559 9.6650 9.6650 11.7406 11.7406 k = 0.4375-0.0000 0.3029 ( 4950 PWs) bands (ev): -47.1309 -47.1309 -47.1309 -47.1309 -20.4982 -20.4982 -20.4973 -20.4973 -19.1770 -19.1770 -19.1662 -19.1662 -19.0236 -19.0236 -19.0120 -19.0120 -18.9511 -18.9511 -18.9495 -18.9495 -11.0177 -11.0177 -11.0176 -11.0176 -3.4616 -3.4616 -3.4609 -3.4609 -2.9517 -2.9517 -2.9433 -2.9433 -2.1022 -2.1022 -2.0919 -2.0919 2.5680 2.5680 2.5722 2.5722 2.8235 2.8235 2.8311 2.8311 9.6814 9.6814 9.6906 9.6906 11.7455 11.7455 k = 0.4479-0.0000 0.3029 ( 4946 PWs) bands (ev): -47.1309 -47.1309 -47.1309 -47.1309 -20.4982 -20.4982 -20.4973 -20.4973 -19.1769 -19.1769 -19.1660 -19.1660 -19.0235 -19.0235 -19.0119 -19.0119 -18.9508 -18.9508 -18.9492 -18.9492 -11.0172 -11.0172 -11.0171 -11.0171 -3.4548 -3.4548 -3.4540 -3.4540 -2.9653 -2.9653 -2.9568 -2.9568 -2.1026 -2.1026 -2.0923 -2.0923 2.5617 2.5617 2.5657 2.5657 2.8256 2.8256 2.8330 2.8330 9.7034 9.7034 9.7127 9.7127 11.7499 11.7499 k = 0.4583-0.0000 0.3029 ( 4946 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4982 -20.4982 -20.4972 -20.4972 -19.1769 -19.1769 -19.1659 -19.1659 -19.0235 -19.0235 -19.0118 -19.0118 -18.9505 -18.9505 -18.9489 -18.9489 -11.0168 -11.0168 -11.0167 -11.0167 -3.4490 -3.4490 -3.4481 -3.4481 -2.9767 -2.9767 -2.9682 -2.9682 -2.1029 -2.1029 -2.0927 -2.0927 2.5565 2.5565 2.5603 2.5603 2.8274 2.8274 2.8346 2.8346 9.7216 9.7216 9.7310 9.7310 11.7535 11.7535 k = 0.4688-0.0000 0.3029 ( 4946 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4981 -20.4981 -20.4972 -20.4972 -19.1768 -19.1768 -19.1658 -19.1658 -19.0235 -19.0235 -19.0117 -19.0117 -18.9503 -18.9503 -18.9487 -18.9487 -11.0164 -11.0164 -11.0163 -11.0163 -3.4443 -3.4443 -3.4434 -3.4434 -2.9858 -2.9858 -2.9773 -2.9773 -2.1032 -2.1032 -2.0929 -2.0929 2.5524 2.5524 2.5560 2.5560 2.8288 2.8288 2.8358 2.8358 9.7359 9.7359 9.7454 9.7454 11.7565 11.7565 k = 0.4792-0.0000 0.3029 ( 4938 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4981 -20.4981 -20.4972 -20.4972 -19.1768 -19.1768 -19.1657 -19.1657 -19.0234 -19.0234 -19.0117 -19.0117 -18.9502 -18.9502 -18.9485 -18.9485 -11.0162 -11.0162 -11.0161 -11.0161 -3.4408 -3.4408 -3.4398 -3.4398 -2.9924 -2.9924 -2.9838 -2.9838 -2.1034 -2.1034 -2.0931 -2.0931 2.5495 2.5495 2.5530 2.5530 2.8298 2.8298 2.8367 2.8367 9.7463 9.7463 9.7559 9.7559 11.7586 11.7586 k = 0.4896-0.0000 0.3029 ( 4946 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4981 -20.4981 -20.4972 -20.4972 -19.1768 -19.1768 -19.1657 -19.1657 -19.0235 -19.0235 -19.0117 -19.0117 -18.9501 -18.9501 -18.9485 -18.9485 -11.0160 -11.0160 -11.0159 -11.0159 -3.4387 -3.4387 -3.4377 -3.4377 -2.9965 -2.9965 -2.9879 -2.9879 -2.1035 -2.1035 -2.0932 -2.0932 2.5477 2.5477 2.5512 2.5512 2.8304 2.8304 2.8373 2.8373 9.7525 9.7525 9.7621 9.7621 11.7599 11.7599 k = 0.5000-0.0000 0.3029 ( 4948 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4981 -20.4981 -20.4972 -20.4972 -19.1768 -19.1768 -19.1657 -19.1657 -19.0235 -19.0235 -19.0117 -19.0117 -18.9501 -18.9501 -18.9484 -18.9484 -11.0160 -11.0160 -11.0159 -11.0159 -3.4380 -3.4380 -3.4369 -3.4369 -2.9979 -2.9979 -2.9892 -2.9892 -2.1035 -2.1035 -2.0933 -2.0933 2.5471 2.5471 2.5506 2.5506 2.8306 2.8306 2.8375 2.8375 9.7546 9.7546 9.7642 9.7642 11.7604 11.7604 k = 0.5000-0.0000 0.3029 ( 4948 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4981 -20.4981 -20.4972 -20.4972 -19.1768 -19.1768 -19.1657 -19.1657 -19.0235 -19.0235 -19.0117 -19.0117 -18.9501 -18.9501 -18.9484 -18.9484 -11.0160 -11.0160 -11.0159 -11.0159 -3.4380 -3.4380 -3.4369 -3.4369 -2.9979 -2.9979 -2.9892 -2.9892 -2.1035 -2.1035 -2.0933 -2.0933 2.5471 2.5471 2.5506 2.5506 2.8306 2.8306 2.8375 2.8375 9.7546 9.7546 9.7642 9.7642 11.7604 11.7604 k = 0.5000 0.0105 0.3029 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4980 -20.4980 -20.4971 -20.4971 -19.1768 -19.1768 -19.1657 -19.1657 -19.0235 -19.0235 -19.0117 -19.0117 -18.9502 -18.9502 -18.9485 -18.9485 -11.0160 -11.0160 -11.0159 -11.0159 -3.4382 -3.4382 -3.4371 -3.4371 -2.9972 -2.9972 -2.9886 -2.9886 -2.1040 -2.1040 -2.0937 -2.0937 2.5470 2.5470 2.5505 2.5505 2.8310 2.8310 2.8379 2.8379 9.7533 9.7533 9.7629 9.7629 11.7634 11.7634 k = 0.5000 0.0209 0.3029 ( 4948 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4976 -20.4976 -20.4967 -20.4967 -19.1769 -19.1769 -19.1659 -19.1659 -19.0236 -19.0236 -19.0118 -19.0118 -18.9504 -18.9504 -18.9488 -18.9488 -11.0161 -11.0161 -11.0160 -11.0160 -3.4386 -3.4386 -3.4375 -3.4375 -2.9952 -2.9952 -2.9866 -2.9866 -2.1053 -2.1053 -2.0951 -2.0951 2.5468 2.5468 2.5502 2.5502 2.8324 2.8324 2.8392 2.8392 9.7493 9.7493 9.7588 9.7588 11.7723 11.7723 k = 0.5000 0.0314 0.3029 ( 4948 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4970 -20.4970 -20.4961 -20.4961 -19.1772 -19.1772 -19.1661 -19.1661 -19.0238 -19.0238 -19.0120 -19.0120 -18.9509 -18.9509 -18.9492 -18.9492 -11.0162 -11.0162 -11.0161 -11.0161 -3.4393 -3.4393 -3.4383 -3.4383 -2.9919 -2.9919 -2.9833 -2.9833 -2.1075 -2.1075 -2.0973 -2.0973 2.5463 2.5463 2.5496 2.5496 2.8346 2.8346 2.8413 2.8413 9.7428 9.7428 9.7522 9.7522 11.7870 11.7870 k = 0.5000 0.0418 0.3029 ( 4940 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4961 -20.4961 -20.4952 -20.4952 -19.1774 -19.1774 -19.1664 -19.1664 -19.0240 -19.0240 -19.0122 -19.0122 -18.9514 -18.9514 -18.9497 -18.9497 -11.0163 -11.0163 -11.0162 -11.0162 -3.4402 -3.4402 -3.4392 -3.4392 -2.9874 -2.9874 -2.9788 -2.9788 -2.1105 -2.1105 -2.1003 -2.1003 2.5456 2.5456 2.5488 2.5488 2.8378 2.8378 2.8443 2.8443 9.7338 9.7338 9.7431 9.7431 11.8073 11.8073 k = 0.5000 0.0523 0.3029 ( 4936 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4950 -20.4950 -20.4941 -20.4941 -19.1778 -19.1778 -19.1669 -19.1669 -19.0243 -19.0243 -19.0125 -19.0125 -18.9522 -18.9522 -18.9503 -18.9503 -11.0165 -11.0165 -11.0164 -11.0164 -3.4414 -3.4414 -3.4404 -3.4404 -2.9816 -2.9816 -2.9731 -2.9731 -2.1144 -2.1144 -2.1042 -2.1042 2.5448 2.5448 2.5478 2.5478 2.8418 2.8418 2.8482 2.8482 9.7227 9.7227 9.7317 9.7317 11.8330 11.8330 k = 0.5000 0.0627 0.3029 ( 4936 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4937 -20.4937 -20.4928 -20.4928 -19.1783 -19.1783 -19.1674 -19.1674 -19.0247 -19.0247 -19.0129 -19.0129 -18.9530 -18.9530 -18.9511 -18.9511 -11.0167 -11.0167 -11.0167 -11.0167 -3.4427 -3.4427 -3.4418 -3.4418 -2.9748 -2.9748 -2.9664 -2.9664 -2.1191 -2.1191 -2.1090 -2.1090 2.5437 2.5437 2.5466 2.5466 2.8467 2.8467 2.8529 2.8529 9.7096 9.7096 9.7184 9.7184 11.8639 11.8639 k = 0.5000 0.0732 0.3029 ( 4936 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4922 -20.4922 -20.4913 -20.4913 -19.1789 -19.1789 -19.1681 -19.1681 -19.0252 -19.0252 -19.0133 -19.0133 -18.9541 -18.9541 -18.9521 -18.9521 -11.0170 -11.0170 -11.0169 -11.0169 -3.4441 -3.4441 -3.4432 -3.4432 -2.9669 -2.9669 -2.9585 -2.9585 -2.1247 -2.1247 -2.1146 -2.1146 2.5424 2.5424 2.5451 2.5451 2.8525 2.8525 2.8584 2.8584 9.6948 9.6948 9.7034 9.7034 11.8996 11.8996 k = 0.5000 0.0836 0.3029 ( 4932 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4904 -20.4904 -20.4895 -20.4895 -19.1795 -19.1795 -19.1688 -19.1688 -19.0258 -19.0258 -19.0138 -19.0138 -18.9552 -18.9552 -18.9531 -18.9531 -11.0173 -11.0173 -11.0172 -11.0172 -3.4455 -3.4455 -3.4447 -3.4447 -2.9581 -2.9581 -2.9498 -2.9498 -2.1310 -2.1310 -2.1210 -2.1210 2.5409 2.5409 2.5434 2.5434 2.8591 2.8591 2.8648 2.8648 9.6786 9.6786 9.6869 9.6869 11.9398 11.9398 k = 0.5000 0.0941 0.3029 ( 4940 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4885 -20.4885 -20.4876 -20.4876 -19.1803 -19.1803 -19.1696 -19.1696 -19.0264 -19.0264 -19.0145 -19.0145 -18.9565 -18.9565 -18.9543 -18.9543 -11.0177 -11.0177 -11.0176 -11.0176 -3.4470 -3.4470 -3.4462 -3.4462 -2.9484 -2.9484 -2.9402 -2.9402 -2.1380 -2.1380 -2.1281 -2.1281 2.5391 2.5391 2.5414 2.5414 2.8665 2.8665 2.8719 2.8719 9.6612 9.6612 9.6692 9.6692 11.9842 11.9842 k = 0.5000 0.1046 0.3029 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4863 -20.4863 -20.4855 -20.4855 -19.1811 -19.1811 -19.1706 -19.1706 -19.0271 -19.0271 -19.0152 -19.0152 -18.9578 -18.9578 -18.9556 -18.9556 -11.0180 -11.0180 -11.0180 -11.0180 -3.4484 -3.4484 -3.4477 -3.4477 -2.9380 -2.9380 -2.9298 -2.9298 -2.1458 -2.1458 -2.1360 -2.1360 2.5370 2.5370 2.5391 2.5391 2.8746 2.8746 2.8798 2.8798 9.6429 9.6429 9.6506 9.6506 12.0324 12.0324 k = 0.5000 0.1150 0.3029 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4840 -20.4840 -20.4831 -20.4831 -19.1821 -19.1821 -19.1717 -19.1717 -19.0279 -19.0279 -19.0160 -19.0160 -18.9593 -18.9593 -18.9569 -18.9569 -11.0184 -11.0184 -11.0184 -11.0184 -3.4497 -3.4497 -3.4490 -3.4490 -2.9269 -2.9269 -2.9188 -2.9188 -2.1543 -2.1543 -2.1445 -2.1445 2.5348 2.5348 2.5367 2.5367 2.8835 2.8835 2.8884 2.8884 9.6240 9.6240 9.6314 9.6314 12.0840 12.0840 k = 0.5000 0.1255 0.3029 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4815 -20.4815 -20.4807 -20.4807 -19.1830 -19.1830 -19.1728 -19.1728 -19.0287 -19.0287 -19.0169 -19.0169 -18.9607 -18.9607 -18.9582 -18.9582 -11.0189 -11.0189 -11.0188 -11.0188 -3.4508 -3.4508 -3.4502 -3.4502 -2.9152 -2.9152 -2.9071 -2.9071 -2.1634 -2.1634 -2.1537 -2.1537 2.5323 2.5323 2.5340 2.5340 2.8930 2.8930 2.8976 2.8976 9.6048 9.6048 9.6119 9.6119 12.1388 12.1423 k = 0.5000 0.1359 0.3029 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4789 -20.4789 -20.4781 -20.4781 -19.1841 -19.1841 -19.1740 -19.1740 -19.0296 -19.0296 -19.0178 -19.0178 -18.9622 -18.9622 -18.9596 -18.9596 -11.0193 -11.0193 -11.0192 -11.0192 -3.4517 -3.4517 -3.4512 -3.4512 -2.9030 -2.9030 -2.8950 -2.8950 -2.1731 -2.1731 -2.1635 -2.1635 2.5296 2.5296 2.5311 2.5311 2.9032 2.9032 2.9075 2.9075 9.5853 9.5853 9.5921 9.5921 12.1964 12.1964 k = 0.5000 0.1464 0.3029 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4761 -20.4761 -20.4753 -20.4753 -19.1852 -19.1852 -19.1753 -19.1753 -19.0305 -19.0305 -19.0189 -19.0189 -18.9636 -18.9636 -18.9610 -18.9610 -11.0198 -11.0198 -11.0197 -11.0197 -3.4525 -3.4525 -3.4520 -3.4520 -2.8904 -2.8904 -2.8824 -2.8824 -2.1833 -2.1833 -2.1738 -2.1738 2.5267 2.5267 2.5280 2.5280 2.9139 2.9139 2.9178 2.9178 9.5660 9.5660 9.5724 9.5724 12.2564 12.2564 k = 0.5000 0.1568 0.3029 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4733 -20.4733 -20.4725 -20.4725 -19.1864 -19.1864 -19.1767 -19.1767 -19.0315 -19.0315 -19.0200 -19.0200 -18.9651 -18.9651 -18.9624 -18.9624 -11.0203 -11.0203 -11.0202 -11.0202 -3.4530 -3.4530 -3.4525 -3.4525 -2.8774 -2.8774 -2.8696 -2.8696 -2.1941 -2.1941 -2.1846 -2.1846 2.5236 2.5236 2.5247 2.5247 2.9250 2.9250 2.9287 2.9287 9.5468 9.5468 9.5530 9.5530 12.3185 12.3185 k = 0.5000 0.1673 0.3029 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4703 -20.4703 -20.4695 -20.4695 -19.1876 -19.1876 -19.1782 -19.1782 -19.0326 -19.0326 -19.0212 -19.0212 -18.9666 -18.9666 -18.9638 -18.9638 -11.0208 -11.0208 -11.0207 -11.0207 -3.4532 -3.4532 -3.4528 -3.4528 -2.8643 -2.8643 -2.8565 -2.8565 -2.2052 -2.2052 -2.1959 -2.1959 2.5203 2.5203 2.5213 2.5213 2.9365 2.9365 2.9400 2.9400 9.5281 9.5281 9.5340 9.5340 12.3824 12.3825 k = 0.5000 0.1777 0.3029 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4673 -20.4673 -20.4665 -20.4665 -19.1889 -19.1889 -19.1797 -19.1797 -19.0336 -19.0336 -19.0225 -19.0225 -18.9680 -18.9680 -18.9652 -18.9652 -11.0213 -11.0213 -11.0212 -11.0212 -3.4532 -3.4532 -3.4528 -3.4528 -2.8509 -2.8509 -2.8432 -2.8432 -2.2168 -2.2168 -2.2076 -2.2076 2.5169 2.5169 2.5177 2.5177 2.9484 2.9484 2.9516 2.9516 9.5099 9.5099 9.5155 9.5155 12.4477 12.4478 k = 0.5000 0.1882 0.3029 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4642 -20.4642 -20.4635 -20.4635 -19.1902 -19.1902 -19.1813 -19.1813 -19.0347 -19.0347 -19.0238 -19.0238 -18.9694 -18.9694 -18.9666 -18.9666 -11.0218 -11.0218 -11.0217 -11.0217 -3.4529 -3.4529 -3.4526 -3.4526 -2.8375 -2.8375 -2.8298 -2.8298 -2.2287 -2.2287 -2.2196 -2.2196 2.5134 2.5134 2.5141 2.5141 2.9604 2.9604 2.9634 2.9634 9.4923 9.4923 9.4976 9.4976 12.5140 12.5147 k = 0.5000 0.1987 0.3029 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4611 -20.4611 -20.4604 -20.4604 -19.1915 -19.1915 -19.1830 -19.1830 -19.0358 -19.0358 -19.0252 -19.0252 -18.9707 -18.9707 -18.9679 -18.9679 -11.0223 -11.0223 -11.0223 -11.0223 -3.4524 -3.4524 -3.4520 -3.4520 -2.8240 -2.8240 -2.8165 -2.8165 -2.2408 -2.2408 -2.2319 -2.2319 2.5098 2.5098 2.5104 2.5104 2.9726 2.9726 2.9753 2.9753 9.4756 9.4756 9.4806 9.4806 12.5799 12.5811 k = 0.5000 0.2091 0.3029 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4580 -20.4580 -20.4573 -20.4573 -19.1929 -19.1929 -19.1847 -19.1847 -19.0369 -19.0369 -19.0266 -19.0266 -18.9719 -18.9719 -18.9692 -18.9692 -11.0228 -11.0228 -11.0228 -11.0228 -3.4516 -3.4516 -3.4513 -3.4513 -2.8106 -2.8106 -2.8031 -2.8031 -2.2531 -2.2531 -2.2443 -2.2443 2.5062 2.5062 2.5066 2.5066 2.9848 2.9848 2.9873 2.9873 9.4596 9.4596 9.4644 9.4644 12.6442 12.6450 k = 0.5000 0.2196 0.3029 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4549 -20.4549 -20.4542 -20.4542 -19.1943 -19.1943 -19.1864 -19.1864 -19.0380 -19.0380 -19.0281 -19.0281 -18.9730 -18.9730 -18.9704 -18.9704 -11.0233 -11.0233 -11.0233 -11.0233 -3.4506 -3.4506 -3.4503 -3.4503 -2.7973 -2.7973 -2.7899 -2.7899 -2.2656 -2.2656 -2.2569 -2.2569 2.5026 2.5026 2.5029 2.5029 2.9970 2.9970 2.9992 2.9992 9.4446 9.4446 9.4491 9.4491 12.6996 12.7001 k = 0.5000 0.2300 0.3029 ( 4940 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4518 -20.4518 -20.4512 -20.4512 -19.1957 -19.1957 -19.1882 -19.1882 -19.0391 -19.0391 -19.0296 -19.0296 -18.9741 -18.9741 -18.9715 -18.9715 -11.0238 -11.0238 -11.0238 -11.0238 -3.4494 -3.4494 -3.4492 -3.4492 -2.7842 -2.7842 -2.7769 -2.7769 -2.2780 -2.2780 -2.2696 -2.2696 2.4990 2.4990 2.4992 2.4992 3.0090 3.0090 3.0110 3.0110 9.4305 9.4305 9.4347 9.4347 12.7207 12.7210 k = 0.5000 0.2405 0.3029 ( 4940 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4488 -20.4488 -20.4482 -20.4482 -19.1971 -19.1971 -19.1899 -19.1899 -19.0401 -19.0401 -19.0311 -19.0311 -18.9750 -18.9750 -18.9726 -18.9726 -11.0243 -11.0243 -11.0243 -11.0243 -3.4481 -3.4481 -3.4478 -3.4478 -2.7713 -2.7713 -2.7641 -2.7641 -2.2905 -2.2905 -2.2822 -2.2822 2.4954 2.4954 2.4956 2.4956 3.0207 3.0207 3.0226 3.0226 9.4175 9.4175 9.4214 9.4214 12.7039 12.7055 k = 0.5000 0.2509 0.3029 ( 4940 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4459 -20.4459 -20.4453 -20.4453 -19.1984 -19.1984 -19.1917 -19.1917 -19.0411 -19.0411 -19.0326 -19.0326 -18.9759 -18.9759 -18.9736 -18.9736 -11.0248 -11.0248 -11.0248 -11.0248 -3.4465 -3.4465 -3.4463 -3.4463 -2.7586 -2.7586 -2.7516 -2.7516 -2.3028 -2.3028 -2.2948 -2.2948 2.4920 2.4920 2.4920 2.4920 3.0321 3.0321 3.0338 3.0338 9.4054 9.4054 9.4090 9.4090 12.6729 12.6743 k = 0.5000 0.2614 0.3029 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4431 -20.4431 -20.4426 -20.4426 -19.1998 -19.1998 -19.1935 -19.1935 -19.0421 -19.0421 -19.0342 -19.0342 -18.9768 -18.9768 -18.9746 -18.9746 -11.0252 -11.0252 -11.0252 -11.0252 -3.4449 -3.4449 -3.4447 -3.4447 -2.7463 -2.7463 -2.7395 -2.7395 -2.3150 -2.3150 -2.3072 -2.3072 2.4886 2.4886 2.4886 2.4886 3.0431 3.0431 3.0446 3.0446 9.3943 9.3943 9.3977 9.3977 12.6396 12.6423 k = 0.5000 0.2718 0.3029 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4404 -20.4404 -20.4399 -20.4399 -19.2010 -19.2010 -19.1952 -19.1952 -19.0430 -19.0430 -19.0356 -19.0356 -18.9775 -18.9775 -18.9754 -18.9754 -11.0257 -11.0257 -11.0256 -11.0256 -3.4432 -3.4432 -3.4430 -3.4430 -2.7345 -2.7345 -2.7279 -2.7279 -2.3268 -2.3268 -2.3193 -2.3193 2.4854 2.4854 2.4854 2.4854 3.0536 3.0536 3.0549 3.0549 9.3843 9.3843 9.3874 9.3874 12.6067 12.6094 k = 0.5000 0.2823 0.3029 ( 4940 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4379 -20.4379 -20.4374 -20.4374 -19.2022 -19.2022 -19.1969 -19.1969 -19.0438 -19.0438 -19.0370 -19.0370 -18.9781 -18.9781 -18.9762 -18.9762 -11.0261 -11.0261 -11.0260 -11.0260 -3.4414 -3.4414 -3.4413 -3.4413 -2.7231 -2.7231 -2.7167 -2.7167 -2.3382 -2.3382 -2.3310 -2.3310 2.4823 2.4823 2.4823 2.4823 3.0634 3.0634 3.0646 3.0646 9.3753 9.3753 9.3781 9.3781 12.5739 12.5743 k = 0.5000 0.2928 0.3029 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4355 -20.4355 -20.4351 -20.4351 -19.2033 -19.2033 -19.1985 -19.1985 -19.0446 -19.0446 -19.0384 -19.0384 -18.9787 -18.9787 -18.9770 -18.9770 -11.0264 -11.0264 -11.0264 -11.0264 -3.4397 -3.4397 -3.4395 -3.4395 -2.7123 -2.7123 -2.7062 -2.7062 -2.3492 -2.3492 -2.3424 -2.3424 2.4794 2.4794 2.4795 2.4795 3.0726 3.0726 3.0736 3.0736 9.3673 9.3673 9.3698 9.3698 12.5432 12.5441 k = 0.5000 0.3032 0.3029 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4333 -20.4333 -20.4330 -20.4330 -19.2043 -19.2043 -19.2000 -19.2000 -19.0452 -19.0452 -19.0397 -19.0397 -18.9792 -18.9792 -18.9776 -18.9776 -11.0268 -11.0268 -11.0268 -11.0268 -3.4380 -3.4380 -3.4379 -3.4379 -2.7020 -2.7020 -2.6963 -2.6963 -2.3595 -2.3595 -2.3531 -2.3531 2.4768 2.4768 2.4769 2.4769 3.0810 3.0810 3.0819 3.0819 9.3602 9.3602 9.3625 9.3625 12.5138 12.5158 k = 0.5000 0.3137 0.3029 ( 4956 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4314 -20.4314 -20.4311 -20.4311 -19.2053 -19.2053 -19.2014 -19.2014 -19.0458 -19.0458 -19.0409 -19.0409 -18.9796 -18.9796 -18.9783 -18.9783 -11.0271 -11.0271 -11.0271 -11.0271 -3.4364 -3.4364 -3.4363 -3.4363 -2.6926 -2.6926 -2.6872 -2.6872 -2.3691 -2.3691 -2.3632 -2.3632 2.4744 2.4744 2.4745 2.4745 3.0886 3.0886 3.0894 3.0894 9.3541 9.3541 9.3561 9.3561 12.4870 12.4877 k = 0.5000 0.3241 0.3029 ( 4964 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4297 -20.4297 -20.4294 -20.4294 -19.2060 -19.2060 -19.2027 -19.2027 -19.0462 -19.0462 -19.0420 -19.0420 -18.9800 -18.9800 -18.9788 -18.9788 -11.0274 -11.0274 -11.0274 -11.0274 -3.4349 -3.4349 -3.4348 -3.4348 -2.6839 -2.6839 -2.6791 -2.6791 -2.3777 -2.3777 -2.3724 -2.3724 2.4723 2.4723 2.4724 2.4724 3.0953 3.0953 3.0960 3.0960 9.3489 9.3489 9.3506 9.3506 12.4640 12.4647 k = 0.5000 0.3346 0.3029 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4281 -20.4281 -20.4279 -20.4279 -19.2067 -19.2067 -19.2039 -19.2039 -19.0465 -19.0465 -19.0430 -19.0430 -18.9803 -18.9803 -18.9793 -18.9793 -11.0276 -11.0276 -11.0276 -11.0276 -3.4336 -3.4336 -3.4335 -3.4335 -2.6761 -2.6761 -2.6719 -2.6719 -2.3854 -2.3854 -2.3807 -2.3807 2.4705 2.4705 2.4706 2.4706 3.1011 3.1011 3.1017 3.1017 9.3446 9.3446 9.3461 9.3461 12.4425 12.4439 k = 0.5000 0.3450 0.3029 ( 4956 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4269 -20.4269 -20.4267 -20.4267 -19.2071 -19.2071 -19.2049 -19.2049 -19.0467 -19.0467 -19.0439 -19.0439 -18.9804 -18.9804 -18.9796 -18.9796 -11.0278 -11.0278 -11.0278 -11.0278 -3.4324 -3.4324 -3.4324 -3.4324 -2.6694 -2.6694 -2.6659 -2.6659 -2.3918 -2.3918 -2.3879 -2.3879 2.4690 2.4690 2.4691 2.4691 3.1059 3.1059 3.1064 3.1064 9.3412 9.3412 9.3423 9.3423 12.4258 12.4261 k = 0.5000 0.3555 0.3029 ( 4956 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4259 -20.4259 -20.4258 -20.4258 -19.2074 -19.2074 -19.2058 -19.2058 -19.0468 -19.0468 -19.0447 -19.0447 -18.9806 -18.9806 -18.9800 -18.9800 -11.0279 -11.0279 -11.0279 -11.0279 -3.4315 -3.4315 -3.4315 -3.4315 -2.6639 -2.6639 -2.6611 -2.6611 -2.3968 -2.3968 -2.3938 -2.3938 2.4679 2.4679 2.4679 2.4679 3.1097 3.1097 3.1101 3.1101 9.3386 9.3386 9.3394 9.3394 12.4119 12.4122 k = 0.5000 0.3659 0.3029 ( 4964 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4252 -20.4252 -20.4251 -20.4251 -19.2076 -19.2076 -19.2065 -19.2065 -19.0468 -19.0468 -19.0454 -19.0454 -18.9807 -18.9807 -18.9803 -18.9803 -11.0280 -11.0280 -11.0280 -11.0280 -3.4309 -3.4309 -3.4308 -3.4308 -2.6597 -2.6597 -2.6578 -2.6578 -2.4004 -2.4004 -2.3984 -2.3984 2.4670 2.4670 2.4671 2.4671 3.1125 3.1125 3.1127 3.1127 9.3367 9.3367 9.3373 9.3373 12.4022 12.4024 k = 0.5000 0.3764 0.3029 ( 4956 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4247 -20.4247 -20.4247 -20.4247 -19.2076 -19.2076 -19.2070 -19.2070 -19.0466 -19.0466 -19.0459 -19.0459 -18.9806 -18.9806 -18.9804 -18.9804 -11.0281 -11.0281 -11.0281 -11.0281 -3.4304 -3.4304 -3.4304 -3.4304 -2.6569 -2.6569 -2.6559 -2.6559 -2.4024 -2.4024 -2.4014 -2.4014 2.4665 2.4665 2.4665 2.4665 3.1142 3.1142 3.1143 3.1143 9.3357 9.3357 9.3360 9.3360 12.3961 12.3963 k = 0.5000 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4246 -20.4246 -20.4246 -20.4246 -19.2074 -19.2074 -19.2074 -19.2074 -19.0463 -19.0463 -19.0463 -19.0463 -18.9806 -18.9806 -18.9806 -18.9806 -11.0281 -11.0281 -11.0281 -11.0281 -3.4303 -3.4303 -3.4303 -3.4303 -2.6557 -2.6557 -2.6557 -2.6557 -2.4027 -2.4027 -2.4027 -2.4027 2.4664 2.4664 2.4664 2.4664 3.1148 3.1148 3.1148 3.1148 9.3355 9.3355 9.3355 9.3355 12.3941 12.3941 k = 0.5000 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4246 -20.4246 -20.4246 -20.4246 -19.2074 -19.2074 -19.2074 -19.2074 -19.0463 -19.0463 -19.0463 -19.0463 -18.9806 -18.9806 -18.9806 -18.9806 -11.0281 -11.0281 -11.0281 -11.0281 -3.4303 -3.4303 -3.4303 -3.4303 -2.6557 -2.6557 -2.6557 -2.6557 -2.4027 -2.4027 -2.4027 -2.4027 2.4664 2.4664 2.4664 2.4664 3.1148 3.1148 3.1148 3.1148 9.3355 9.3355 9.3355 9.3355 12.3941 12.3941 k = 0.4896 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4247 -20.4247 -20.4247 -20.4247 -19.2073 -19.2073 -19.2073 -19.2073 -19.0462 -19.0462 -19.0462 -19.0462 -18.9805 -18.9805 -18.9805 -18.9805 -11.0283 -11.0283 -11.0283 -11.0283 -3.4303 -3.4303 -3.4303 -3.4303 -2.6550 -2.6550 -2.6550 -2.6550 -2.4029 -2.4029 -2.4029 -2.4029 2.4671 2.4671 2.4671 2.4671 3.1147 3.1147 3.1147 3.1147 9.3351 9.3351 9.3351 9.3351 12.3910 12.3910 k = 0.4792 0.3869 0.3029 ( 4964 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4252 -20.4252 -20.4252 -20.4252 -19.2071 -19.2071 -19.2071 -19.2071 -19.0461 -19.0461 -19.0461 -19.0461 -18.9804 -18.9804 -18.9804 -18.9804 -11.0289 -11.0289 -11.0289 -11.0289 -3.4302 -3.4302 -3.4302 -3.4302 -2.6530 -2.6530 -2.6530 -2.6530 -2.4034 -2.4034 -2.4034 -2.4034 2.4693 2.4693 2.4693 2.4693 3.1146 3.1146 3.1146 3.1146 9.3339 9.3339 9.3339 9.3339 12.3819 12.3819 k = 0.4688 0.3869 0.3029 ( 4964 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4260 -20.4260 -20.4260 -20.4260 -19.2068 -19.2068 -19.2068 -19.2068 -19.0458 -19.0458 -19.0458 -19.0458 -18.9802 -18.9802 -18.9802 -18.9802 -11.0298 -11.0298 -11.0298 -11.0298 -3.4300 -3.4300 -3.4300 -3.4300 -2.6497 -2.6497 -2.6497 -2.6497 -2.4043 -2.4043 -2.4043 -2.4043 2.4729 2.4729 2.4729 2.4729 3.1143 3.1143 3.1143 3.1143 9.3319 9.3319 9.3319 9.3319 12.3667 12.3667 k = 0.4583 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4271 -20.4271 -20.4271 -20.4271 -19.2063 -19.2063 -19.2063 -19.2063 -19.0453 -19.0453 -19.0453 -19.0453 -18.9798 -18.9798 -18.9798 -18.9798 -11.0310 -11.0310 -11.0310 -11.0310 -3.4297 -3.4297 -3.4297 -3.4297 -2.6450 -2.6450 -2.6450 -2.6450 -2.4055 -2.4055 -2.4055 -2.4055 2.4780 2.4780 2.4780 2.4780 3.1140 3.1140 3.1140 3.1140 9.3291 9.3291 9.3291 9.3291 12.3458 12.3458 k = 0.4479 0.3869 0.3029 ( 4964 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4285 -20.4285 -20.4285 -20.4285 -19.2057 -19.2057 -19.2057 -19.2057 -19.0448 -19.0448 -19.0448 -19.0448 -18.9794 -18.9794 -18.9794 -18.9794 -11.0326 -11.0326 -11.0326 -11.0326 -3.4294 -3.4294 -3.4294 -3.4294 -2.6390 -2.6390 -2.6390 -2.6390 -2.4071 -2.4071 -2.4071 -2.4071 2.4845 2.4845 2.4845 2.4845 3.1135 3.1135 3.1135 3.1135 9.3255 9.3255 9.3255 9.3255 12.3194 12.3194 k = 0.4375 0.3869 0.3029 ( 4964 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4302 -20.4302 -20.4302 -20.4302 -19.2050 -19.2050 -19.2050 -19.2050 -19.0442 -19.0442 -19.0442 -19.0442 -18.9789 -18.9789 -18.9789 -18.9789 -11.0346 -11.0346 -11.0346 -11.0346 -3.4291 -3.4291 -3.4291 -3.4291 -2.6318 -2.6318 -2.6318 -2.6318 -2.4090 -2.4090 -2.4090 -2.4090 2.4924 2.4924 2.4924 2.4924 3.1129 3.1129 3.1129 3.1129 9.3212 9.3212 9.3212 9.3212 12.2879 12.2879 k = 0.4271 0.3869 0.3029 ( 4972 PWs) bands (ev): -47.1309 -47.1309 -47.1309 -47.1309 -20.4323 -20.4323 -20.4323 -20.4323 -19.2041 -19.2041 -19.2041 -19.2041 -19.0434 -19.0434 -19.0434 -19.0434 -18.9783 -18.9783 -18.9783 -18.9783 -11.0368 -11.0368 -11.0368 -11.0368 -3.4287 -3.4287 -3.4287 -3.4287 -2.6232 -2.6232 -2.6232 -2.6232 -2.4112 -2.4112 -2.4112 -2.4112 2.5017 2.5017 2.5017 2.5017 3.1123 3.1123 3.1123 3.1123 9.3161 9.3161 9.3161 9.3161 12.2514 12.2514 k = 0.4167 0.3869 0.3029 ( 4972 PWs) bands (ev): -47.1309 -47.1309 -47.1309 -47.1309 -20.4345 -20.4345 -20.4345 -20.4345 -19.2031 -19.2031 -19.2031 -19.2031 -19.0426 -19.0426 -19.0426 -19.0426 -18.9775 -18.9775 -18.9775 -18.9775 -11.0394 -11.0394 -11.0394 -11.0394 -3.4283 -3.4283 -3.4283 -3.4283 -2.6134 -2.6134 -2.6134 -2.6134 -2.4137 -2.4137 -2.4137 -2.4137 2.5123 2.5123 2.5123 2.5123 3.1116 3.1116 3.1116 3.1116 9.3102 9.3102 9.3102 9.3102 12.2106 12.2106 k = 0.4062 0.3869 0.3029 ( 4980 PWs) bands (ev): -47.1310 -47.1310 -47.1310 -47.1310 -20.4371 -20.4371 -20.4371 -20.4371 -19.2021 -19.2021 -19.2021 -19.2021 -19.0417 -19.0417 -19.0417 -19.0417 -18.9768 -18.9768 -18.9768 -18.9768 -11.0423 -11.0423 -11.0423 -11.0423 -3.4278 -3.4278 -3.4278 -3.4278 -2.6024 -2.6024 -2.6024 -2.6024 -2.4166 -2.4166 -2.4166 -2.4166 2.5242 2.5242 2.5242 2.5242 3.1107 3.1107 3.1107 3.1107 9.3036 9.3036 9.3036 9.3036 12.1657 12.1657 k = 0.3958 0.3869 0.3029 ( 4980 PWs) bands (ev): -47.1311 -47.1311 -47.1311 -47.1311 -20.4399 -20.4399 -20.4399 -20.4399 -19.2009 -19.2009 -19.2009 -19.2009 -19.0406 -19.0406 -19.0406 -19.0406 -18.9759 -18.9759 -18.9759 -18.9759 -11.0455 -11.0455 -11.0455 -11.0455 -3.4274 -3.4274 -3.4274 -3.4274 -2.5901 -2.5901 -2.5901 -2.5901 -2.4197 -2.4197 -2.4197 -2.4197 2.5374 2.5374 2.5374 2.5374 3.1098 3.1098 3.1098 3.1098 9.2963 9.2963 9.2963 9.2963 12.1171 12.1171 k = 0.3854 0.3869 0.3029 ( 4972 PWs) bands (ev): -47.1311 -47.1311 -47.1311 -47.1311 -20.4429 -20.4429 -20.4429 -20.4429 -19.1995 -19.1995 -19.1995 -19.1995 -19.0395 -19.0395 -19.0395 -19.0395 -18.9748 -18.9748 -18.9748 -18.9748 -11.0490 -11.0490 -11.0490 -11.0490 -3.4269 -3.4269 -3.4269 -3.4269 -2.5766 -2.5766 -2.5766 -2.5766 -2.4230 -2.4230 -2.4230 -2.4230 2.5518 2.5518 2.5518 2.5518 3.1088 3.1088 3.1088 3.1088 9.2883 9.2883 9.2883 9.2883 12.0652 12.0652 k = 0.3750 0.3869 0.3029 ( 4972 PWs) bands (ev): -47.1312 -47.1312 -47.1312 -47.1312 -20.4462 -20.4462 -20.4462 -20.4462 -19.1981 -19.1981 -19.1981 -19.1981 -19.0383 -19.0383 -19.0383 -19.0383 -18.9737 -18.9737 -18.9737 -18.9737 -11.0528 -11.0528 -11.0528 -11.0528 -3.4265 -3.4265 -3.4265 -3.4265 -2.5621 -2.5621 -2.5621 -2.5621 -2.4266 -2.4266 -2.4266 -2.4266 2.5674 2.5674 2.5674 2.5674 3.1078 3.1078 3.1078 3.1078 9.2796 9.2796 9.2796 9.2796 12.0104 12.0104 k = 0.3646 0.3869 0.3029 ( 4972 PWs) bands (ev): -47.1313 -47.1313 -47.1313 -47.1313 -20.4497 -20.4497 -20.4497 -20.4497 -19.1967 -19.1967 -19.1967 -19.1967 -19.0371 -19.0371 -19.0371 -19.0371 -18.9725 -18.9725 -18.9725 -18.9725 -11.0568 -11.0568 -11.0568 -11.0568 -3.4261 -3.4261 -3.4261 -3.4261 -2.5464 -2.5464 -2.5464 -2.5464 -2.4305 -2.4305 -2.4305 -2.4305 2.5841 2.5841 2.5841 2.5841 3.1066 3.1066 3.1066 3.1066 9.2703 9.2703 9.2703 9.2703 11.9531 11.9531 k = 0.3542 0.3869 0.3029 ( 4972 PWs) bands (ev): -47.1314 -47.1314 -47.1314 -47.1314 -20.4534 -20.4534 -20.4534 -20.4534 -19.1951 -19.1951 -19.1951 -19.1951 -19.0358 -19.0358 -19.0358 -19.0358 -18.9713 -18.9713 -18.9713 -18.9713 -11.0610 -11.0610 -11.0610 -11.0610 -3.4257 -3.4257 -3.4257 -3.4257 -2.5298 -2.5298 -2.5298 -2.5298 -2.4345 -2.4345 -2.4345 -2.4345 2.6019 2.6019 2.6019 2.6019 3.1054 3.1054 3.1054 3.1054 9.2603 9.2603 9.2603 9.2603 11.8936 11.8936 k = 0.3438 0.3869 0.3029 ( 4968 PWs) bands (ev): -47.1314 -47.1314 -47.1314 -47.1314 -20.4572 -20.4572 -20.4572 -20.4572 -19.1935 -19.1935 -19.1935 -19.1935 -19.0345 -19.0345 -19.0345 -19.0345 -18.9699 -18.9699 -18.9699 -18.9699 -11.0655 -11.0655 -11.0655 -11.0655 -3.4253 -3.4253 -3.4253 -3.4253 -2.5122 -2.5122 -2.5122 -2.5122 -2.4386 -2.4386 -2.4386 -2.4386 2.6207 2.6207 2.6207 2.6207 3.1042 3.1042 3.1042 3.1042 9.2497 9.2497 9.2497 9.2497 11.8322 11.8322 k = 0.3333 0.3869 0.3029 ( 4964 PWs) bands (ev): -47.1315 -47.1315 -47.1315 -47.1315 -20.4612 -20.4612 -20.4612 -20.4612 -19.1918 -19.1918 -19.1918 -19.1918 -19.0331 -19.0331 -19.0331 -19.0331 -18.9684 -18.9684 -18.9684 -18.9684 -11.0701 -11.0701 -11.0701 -11.0701 -3.4250 -3.4250 -3.4250 -3.4250 -2.4940 -2.4940 -2.4940 -2.4940 -2.4426 -2.4426 -2.4426 -2.4426 2.6404 2.6404 2.6404 2.6404 3.1028 3.1028 3.1028 3.1028 9.2386 9.2386 9.2386 9.2386 11.7692 11.7692 k = 0.3229 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1316 -47.1316 -47.1316 -47.1316 -20.4653 -20.4653 -20.4653 -20.4653 -19.1900 -19.1900 -19.1900 -19.1900 -19.0317 -19.0317 -19.0317 -19.0317 -18.9668 -18.9668 -18.9668 -18.9668 -11.0750 -11.0750 -11.0750 -11.0750 -3.4247 -3.4247 -3.4247 -3.4247 -2.4759 -2.4759 -2.4759 -2.4759 -2.4459 -2.4459 -2.4459 -2.4459 2.6609 2.6609 2.6609 2.6609 3.1015 3.1015 3.1015 3.1015 9.2270 9.2270 9.2270 9.2270 11.7050 11.7050 k = 0.3125 0.3869 0.3029 ( 4964 PWs) bands (ev): -47.1317 -47.1317 -47.1317 -47.1317 -20.4696 -20.4696 -20.4696 -20.4696 -19.1883 -19.1883 -19.1883 -19.1883 -19.0303 -19.0303 -19.0303 -19.0303 -18.9652 -18.9652 -18.9652 -18.9652 -11.0800 -11.0800 -11.0800 -11.0800 -3.4245 -3.4245 -3.4245 -3.4245 -2.4626 -2.4626 -2.4626 -2.4626 -2.4437 -2.4437 -2.4437 -2.4437 2.6823 2.6823 2.6823 2.6823 3.1001 3.1001 3.1001 3.1001 9.2148 9.2148 9.2148 9.2148 11.6397 11.6397 k = 0.3021 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1318 -47.1318 -47.1318 -47.1318 -20.4739 -20.4739 -20.4739 -20.4739 -19.1865 -19.1865 -19.1865 -19.1865 -19.0288 -19.0288 -19.0288 -19.0288 -18.9635 -18.9635 -18.9635 -18.9635 -11.0851 -11.0851 -11.0851 -11.0851 -3.4243 -3.4243 -3.4243 -3.4243 -2.4620 -2.4620 -2.4620 -2.4620 -2.4280 -2.4280 -2.4280 -2.4280 2.7043 2.7043 2.7043 2.7043 3.0986 3.0986 3.0986 3.0986 9.2023 9.2023 9.2023 9.2023 11.5737 11.5737 k = 0.2917 0.3869 0.3029 ( 4952 PWs) bands (ev): -47.1319 -47.1319 -47.1319 -47.1319 -20.4784 -20.4784 -20.4784 -20.4784 -19.1846 -19.1846 -19.1846 -19.1846 -19.0274 -19.0274 -19.0274 -19.0274 -18.9618 -18.9618 -18.9618 -18.9618 -11.0903 -11.0903 -11.0903 -11.0903 -3.4242 -3.4242 -3.4242 -3.4242 -2.4660 -2.4660 -2.4660 -2.4660 -2.4074 -2.4074 -2.4074 -2.4074 2.7270 2.7270 2.7270 2.7270 3.0971 3.0971 3.0971 3.0971 9.1893 9.1893 9.1893 9.1893 11.5072 11.5072 k = 0.2812 0.3869 0.3029 ( 4956 PWs) bands (ev): -47.1320 -47.1320 -47.1320 -47.1320 -20.4828 -20.4828 -20.4828 -20.4828 -19.1828 -19.1828 -19.1828 -19.1828 -19.0260 -19.0260 -19.0260 -19.0260 -18.9599 -18.9599 -18.9599 -18.9599 -11.0956 -11.0956 -11.0956 -11.0956 -3.4241 -3.4241 -3.4241 -3.4241 -2.4707 -2.4707 -2.4707 -2.4707 -2.3854 -2.3854 -2.3854 -2.3854 2.7501 2.7501 2.7501 2.7501 3.0956 3.0956 3.0956 3.0956 9.1760 9.1760 9.1760 9.1760 11.4405 11.4405 k = 0.2708 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1321 -47.1321 -47.1321 -47.1321 -20.4874 -20.4874 -20.4874 -20.4874 -19.1810 -19.1810 -19.1810 -19.1810 -19.0246 -19.0246 -19.0246 -19.0246 -18.9581 -18.9581 -18.9581 -18.9581 -11.1010 -11.1010 -11.1010 -11.1010 -3.4241 -3.4241 -3.4241 -3.4241 -2.4758 -2.4758 -2.4758 -2.4758 -2.3627 -2.3627 -2.3627 -2.3627 2.7737 2.7737 2.7737 2.7737 3.0941 3.0941 3.0941 3.0941 9.1623 9.1623 9.1623 9.1623 11.3738 11.3738 k = 0.2604 0.3869 0.3029 ( 4964 PWs) bands (ev): -47.1322 -47.1322 -47.1322 -47.1322 -20.4919 -20.4919 -20.4919 -20.4919 -19.1792 -19.1792 -19.1792 -19.1792 -19.0231 -19.0231 -19.0231 -19.0231 -18.9562 -18.9562 -18.9562 -18.9562 -11.1064 -11.1064 -11.1064 -11.1064 -3.4242 -3.4242 -3.4242 -3.4242 -2.4811 -2.4811 -2.4811 -2.4811 -2.3395 -2.3395 -2.3395 -2.3395 2.7977 2.7977 2.7977 2.7977 3.0926 3.0926 3.0926 3.0926 9.1485 9.1485 9.1485 9.1485 11.3073 11.3073 k = 0.2500 0.3869 0.3029 ( 4952 PWs) bands (ev): -47.1323 -47.1323 -47.1323 -47.1323 -20.4965 -20.4965 -20.4965 -20.4965 -19.1774 -19.1774 -19.1774 -19.1774 -19.0217 -19.0217 -19.0217 -19.0217 -18.9542 -18.9542 -18.9542 -18.9542 -11.1118 -11.1118 -11.1118 -11.1118 -3.4243 -3.4243 -3.4243 -3.4243 -2.4864 -2.4864 -2.4864 -2.4864 -2.3159 -2.3159 -2.3159 -2.3159 2.8219 2.8219 2.8219 2.8219 3.0911 3.0911 3.0911 3.0911 9.1344 9.1344 9.1344 9.1344 11.2412 11.2412 k = 0.2396 0.3869 0.3029 ( 4948 PWs) bands (ev): -47.1324 -47.1324 -47.1324 -47.1324 -20.5010 -20.5010 -20.5010 -20.5010 -19.1756 -19.1756 -19.1756 -19.1756 -19.0202 -19.0202 -19.0202 -19.0202 -18.9523 -18.9523 -18.9523 -18.9523 -11.1173 -11.1173 -11.1173 -11.1173 -3.4244 -3.4244 -3.4244 -3.4244 -2.4917 -2.4917 -2.4917 -2.4917 -2.2921 -2.2921 -2.2921 -2.2921 2.8462 2.8462 2.8462 2.8462 3.0896 3.0896 3.0896 3.0896 9.1202 9.1202 9.1202 9.1202 11.1758 11.1758 k = 0.2292 0.3869 0.3029 ( 4944 PWs) bands (ev): -47.1325 -47.1325 -47.1325 -47.1325 -20.5055 -20.5055 -20.5055 -20.5055 -19.1738 -19.1738 -19.1738 -19.1738 -19.0188 -19.0188 -19.0188 -19.0188 -18.9503 -18.9503 -18.9503 -18.9503 -11.1227 -11.1227 -11.1227 -11.1227 -3.4246 -3.4246 -3.4246 -3.4246 -2.4970 -2.4970 -2.4970 -2.4970 -2.2682 -2.2682 -2.2682 -2.2682 2.8706 2.8706 2.8706 2.8706 3.0881 3.0881 3.0881 3.0881 9.1059 9.1059 9.1059 9.1059 11.1114 11.1114 k = 0.2188 0.3869 0.3029 ( 4940 PWs) bands (ev): -47.1326 -47.1326 -47.1326 -47.1326 -20.5099 -20.5099 -20.5099 -20.5099 -19.1721 -19.1721 -19.1721 -19.1721 -19.0175 -19.0175 -19.0175 -19.0175 -18.9483 -18.9483 -18.9483 -18.9483 -11.1280 -11.1280 -11.1280 -11.1280 -3.4248 -3.4248 -3.4248 -3.4248 -2.5023 -2.5023 -2.5023 -2.5023 -2.2442 -2.2442 -2.2442 -2.2442 2.8948 2.8948 2.8948 2.8948 3.0866 3.0866 3.0866 3.0866 9.0917 9.0917 9.0917 9.0917 11.0479 11.0479 k = 0.2083 0.3869 0.3029 ( 4940 PWs) bands (ev): -47.1327 -47.1327 -47.1327 -47.1327 -20.5142 -20.5142 -20.5142 -20.5142 -19.1704 -19.1704 -19.1704 -19.1704 -19.0161 -19.0161 -19.0161 -19.0161 -18.9464 -18.9464 -18.9464 -18.9464 -11.1333 -11.1333 -11.1333 -11.1333 -3.4251 -3.4251 -3.4251 -3.4251 -2.5076 -2.5076 -2.5076 -2.5076 -2.2204 -2.2204 -2.2204 -2.2204 2.9189 2.9189 2.9189 2.9189 3.0852 3.0852 3.0852 3.0852 9.0774 9.0774 9.0774 9.0774 10.9858 10.9858 k = 0.1979 0.3869 0.3029 ( 4948 PWs) bands (ev): -47.1329 -47.1329 -47.1329 -47.1329 -20.5185 -20.5185 -20.5185 -20.5185 -19.1688 -19.1688 -19.1688 -19.1688 -19.0148 -19.0148 -19.0148 -19.0148 -18.9445 -18.9445 -18.9445 -18.9445 -11.1385 -11.1385 -11.1385 -11.1385 -3.4254 -3.4254 -3.4254 -3.4254 -2.5127 -2.5127 -2.5127 -2.5127 -2.1968 -2.1968 -2.1968 -2.1968 2.9426 2.9426 2.9426 2.9426 3.0839 3.0839 3.0839 3.0839 9.0633 9.0633 9.0633 9.0633 10.9252 10.9252 k = 0.1875 0.3869 0.3029 ( 4948 PWs) bands (ev): -47.1330 -47.1330 -47.1330 -47.1330 -20.5226 -20.5226 -20.5226 -20.5226 -19.1673 -19.1673 -19.1673 -19.1673 -19.0136 -19.0136 -19.0136 -19.0136 -18.9426 -18.9426 -18.9426 -18.9426 -11.1436 -11.1436 -11.1436 -11.1436 -3.4258 -3.4258 -3.4258 -3.4258 -2.5178 -2.5178 -2.5178 -2.5178 -2.1736 -2.1736 -2.1736 -2.1736 2.9659 2.9659 2.9659 2.9659 3.0827 3.0827 3.0827 3.0827 9.0494 9.0494 9.0494 9.0494 10.8663 10.8663 k = 0.1771 0.3869 0.3029 ( 4952 PWs) bands (ev): -47.1331 -47.1331 -47.1331 -47.1331 -20.5266 -20.5266 -20.5266 -20.5266 -19.1658 -19.1658 -19.1658 -19.1658 -19.0123 -19.0123 -19.0123 -19.0123 -18.9407 -18.9407 -18.9407 -18.9407 -11.1485 -11.1485 -11.1485 -11.1485 -3.4261 -3.4261 -3.4261 -3.4261 -2.5227 -2.5227 -2.5227 -2.5227 -2.1508 -2.1508 -2.1508 -2.1508 2.9885 2.9885 2.9885 2.9885 3.0816 3.0816 3.0816 3.0816 9.0357 9.0357 9.0357 9.0357 10.8093 10.8093 k = 0.1667 0.3869 0.3029 ( 4940 PWs) bands (ev): -47.1331 -47.1331 -47.1331 -47.1331 -20.5305 -20.5305 -20.5305 -20.5305 -19.1643 -19.1643 -19.1643 -19.1643 -19.0111 -19.0111 -19.0111 -19.0111 -18.9389 -18.9389 -18.9389 -18.9389 -11.1532 -11.1532 -11.1532 -11.1532 -3.4265 -3.4265 -3.4265 -3.4265 -2.5274 -2.5274 -2.5274 -2.5274 -2.1285 -2.1285 -2.1285 -2.1285 3.0103 3.0103 3.0103 3.0103 3.0809 3.0809 3.0809 3.0809 9.0223 9.0223 9.0223 9.0223 10.7544 10.7544 k = 0.1562 0.3869 0.3029 ( 4940 PWs) bands (ev): -47.1332 -47.1332 -47.1332 -47.1332 -20.5342 -20.5342 -20.5342 -20.5342 -19.1630 -19.1630 -19.1630 -19.1630 -19.0099 -19.0099 -19.0099 -19.0099 -18.9372 -18.9372 -18.9372 -18.9372 -11.1578 -11.1578 -11.1578 -11.1578 -3.4269 -3.4269 -3.4269 -3.4269 -2.5320 -2.5320 -2.5320 -2.5320 -2.1069 -2.1069 -2.1069 -2.1069 3.0308 3.0308 3.0308 3.0308 3.0807 3.0807 3.0807 3.0807 9.0093 9.0093 9.0093 9.0093 10.7018 10.7018 k = 0.1458 0.3869 0.3029 ( 4936 PWs) bands (ev): -47.1333 -47.1333 -47.1333 -47.1333 -20.5378 -20.5378 -20.5378 -20.5378 -19.1617 -19.1617 -19.1617 -19.1617 -19.0088 -19.0088 -19.0088 -19.0088 -18.9355 -18.9355 -18.9355 -18.9355 -11.1622 -11.1622 -11.1622 -11.1622 -3.4273 -3.4273 -3.4273 -3.4273 -2.5364 -2.5364 -2.5364 -2.5364 -2.0860 -2.0860 -2.0860 -2.0860 3.0490 3.0490 3.0490 3.0490 3.0822 3.0822 3.0822 3.0822 8.9968 8.9968 8.9968 8.9968 10.6516 10.6516 k = 0.1354 0.3869 0.3029 ( 4936 PWs) bands (ev): -47.1334 -47.1334 -47.1334 -47.1334 -20.5411 -20.5411 -20.5411 -20.5411 -19.1605 -19.1605 -19.1605 -19.1605 -19.0077 -19.0077 -19.0077 -19.0077 -18.9339 -18.9339 -18.9339 -18.9339 -11.1664 -11.1664 -11.1664 -11.1664 -3.4277 -3.4277 -3.4277 -3.4277 -2.5406 -2.5406 -2.5406 -2.5406 -2.0661 -2.0661 -2.0661 -2.0661 3.0617 3.0617 3.0617 3.0617 3.0882 3.0882 3.0882 3.0882 8.9848 8.9848 8.9848 8.9848 10.6040 10.6040 k = 0.1250 0.3869 0.3029 ( 4944 PWs) bands (ev): -47.1335 -47.1335 -47.1335 -47.1335 -20.5443 -20.5443 -20.5443 -20.5443 -19.1594 -19.1594 -19.1594 -19.1594 -19.0068 -19.0068 -19.0068 -19.0068 -18.9324 -18.9324 -18.9324 -18.9324 -11.1703 -11.1703 -11.1703 -11.1703 -3.4281 -3.4281 -3.4281 -3.4281 -2.5446 -2.5446 -2.5446 -2.5446 -2.0472 -2.0472 -2.0472 -2.0472 3.0669 3.0669 3.0669 3.0669 3.1008 3.1008 3.1008 3.1008 8.9733 8.9733 8.9733 8.9733 10.5592 10.5592 k = 0.1146 0.3869 0.3029 ( 4948 PWs) bands (ev): -47.1336 -47.1336 -47.1336 -47.1336 -20.5473 -20.5473 -20.5473 -20.5473 -19.1584 -19.1584 -19.1584 -19.1584 -19.0058 -19.0058 -19.0058 -19.0058 -18.9309 -18.9309 -18.9309 -18.9309 -11.1740 -11.1740 -11.1740 -11.1740 -3.4284 -3.4284 -3.4284 -3.4284 -2.5483 -2.5483 -2.5483 -2.5483 -2.0294 -2.0294 -2.0294 -2.0294 3.0682 3.0682 3.0682 3.0682 3.1163 3.1163 3.1163 3.1163 8.9626 8.9626 8.9626 8.9626 10.5174 10.5174 k = 0.1042 0.3869 0.3029 ( 4940 PWs) bands (ev): -47.1336 -47.1336 -47.1336 -47.1336 -20.5500 -20.5500 -20.5500 -20.5500 -19.1574 -19.1574 -19.1574 -19.1574 -19.0049 -19.0049 -19.0049 -19.0049 -18.9296 -18.9296 -18.9296 -18.9296 -11.1774 -11.1774 -11.1774 -11.1774 -3.4288 -3.4288 -3.4288 -3.4288 -2.5517 -2.5517 -2.5517 -2.5517 -2.0128 -2.0128 -2.0128 -2.0128 3.0683 3.0683 3.0683 3.0683 3.1318 3.1318 3.1318 3.1318 8.9525 8.9525 8.9525 8.9525 10.4787 10.4787 k = 0.0938 0.3869 0.3029 ( 4940 PWs) bands (ev): -47.1337 -47.1337 -47.1337 -47.1337 -20.5525 -20.5525 -20.5525 -20.5525 -19.1566 -19.1566 -19.1566 -19.1566 -19.0041 -19.0041 -19.0041 -19.0041 -18.9284 -18.9284 -18.9284 -18.9284 -11.1805 -11.1805 -11.1805 -11.1805 -3.4291 -3.4291 -3.4291 -3.4291 -2.5548 -2.5548 -2.5548 -2.5548 -1.9974 -1.9974 -1.9974 -1.9974 3.0679 3.0679 3.0679 3.0679 3.1466 3.1466 3.1466 3.1466 8.9432 8.9432 8.9432 8.9432 10.4432 10.4432 k = 0.0833 0.3869 0.3029 ( 4932 PWs) bands (ev): -47.1337 -47.1337 -47.1337 -47.1337 -20.5548 -20.5548 -20.5548 -20.5548 -19.1558 -19.1558 -19.1558 -19.1558 -19.0034 -19.0034 -19.0034 -19.0034 -18.9273 -18.9273 -18.9273 -18.9273 -11.1834 -11.1834 -11.1834 -11.1834 -3.4294 -3.4294 -3.4294 -3.4294 -2.5577 -2.5577 -2.5577 -2.5577 -1.9834 -1.9834 -1.9834 -1.9834 3.0675 3.0675 3.0675 3.0675 3.1602 3.1602 3.1602 3.1602 8.9347 8.9347 8.9347 8.9347 10.4110 10.4110 k = 0.0729 0.3869 0.3029 ( 4932 PWs) bands (ev): -47.1338 -47.1338 -47.1338 -47.1338 -20.5568 -20.5568 -20.5568 -20.5568 -19.1551 -19.1551 -19.1551 -19.1551 -19.0027 -19.0027 -19.0027 -19.0027 -18.9263 -18.9263 -18.9263 -18.9263 -11.1859 -11.1859 -11.1859 -11.1859 -3.4297 -3.4297 -3.4297 -3.4297 -2.5602 -2.5602 -2.5602 -2.5602 -1.9709 -1.9709 -1.9709 -1.9709 3.0670 3.0670 3.0670 3.0670 3.1725 3.1725 3.1725 3.1725 8.9271 8.9271 8.9271 8.9271 10.3824 10.3824 k = 0.0625 0.3869 0.3029 ( 4932 PWs) bands (ev): -47.1338 -47.1338 -47.1338 -47.1338 -20.5585 -20.5585 -20.5585 -20.5585 -19.1545 -19.1545 -19.1545 -19.1545 -19.0021 -19.0021 -19.0021 -19.0021 -18.9254 -18.9254 -18.9254 -18.9254 -11.1881 -11.1881 -11.1881 -11.1881 -3.4300 -3.4300 -3.4300 -3.4300 -2.5625 -2.5625 -2.5625 -2.5625 -1.9599 -1.9599 -1.9599 -1.9599 3.0665 3.0665 3.0665 3.0665 3.1833 3.1833 3.1833 3.1833 8.9204 8.9204 8.9204 8.9204 10.3574 10.3574 k = 0.0521 0.3869 0.3029 ( 4928 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5601 -20.5601 -20.5601 -20.5601 -19.1540 -19.1540 -19.1540 -19.1540 -19.0016 -19.0016 -19.0016 -19.0016 -18.9247 -18.9247 -18.9247 -18.9247 -11.1900 -11.1900 -11.1900 -11.1900 -3.4302 -3.4302 -3.4302 -3.4302 -2.5644 -2.5644 -2.5644 -2.5644 -1.9504 -1.9504 -1.9504 -1.9504 3.0660 3.0660 3.0660 3.0660 3.1927 3.1927 3.1927 3.1927 8.9147 8.9147 8.9147 8.9147 10.3360 10.3360 k = 0.0417 0.3869 0.3029 ( 4924 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5613 -20.5613 -20.5613 -20.5613 -19.1535 -19.1535 -19.1535 -19.1535 -19.0012 -19.0012 -19.0012 -19.0012 -18.9241 -18.9241 -18.9241 -18.9241 -11.1916 -11.1916 -11.1916 -11.1916 -3.4304 -3.4304 -3.4304 -3.4304 -2.5659 -2.5659 -2.5659 -2.5659 -1.9426 -1.9426 -1.9426 -1.9426 3.0656 3.0656 3.0656 3.0656 3.2003 3.2003 3.2003 3.2003 8.9099 8.9099 8.9099 8.9099 10.3184 10.3184 k = 0.0312 0.3869 0.3029 ( 4916 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5622 -20.5622 -20.5622 -20.5622 -19.1532 -19.1532 -19.1532 -19.1532 -19.0008 -19.0008 -19.0008 -19.0008 -18.9236 -18.9236 -18.9236 -18.9236 -11.1928 -11.1928 -11.1928 -11.1928 -3.4305 -3.4305 -3.4305 -3.4305 -2.5671 -2.5671 -2.5671 -2.5671 -1.9365 -1.9365 -1.9365 -1.9365 3.0653 3.0653 3.0653 3.0653 3.2064 3.2064 3.2064 3.2064 8.9062 8.9062 8.9062 8.9062 10.3047 10.3047 k = 0.0208 0.3869 0.3029 ( 4912 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5629 -20.5629 -20.5629 -20.5629 -19.1530 -19.1530 -19.1530 -19.1530 -19.0006 -19.0006 -19.0006 -19.0006 -18.9232 -18.9232 -18.9232 -18.9232 -11.1937 -11.1937 -11.1937 -11.1937 -3.4306 -3.4306 -3.4306 -3.4306 -2.5680 -2.5680 -2.5680 -2.5680 -1.9321 -1.9321 -1.9321 -1.9321 3.0651 3.0651 3.0651 3.0651 3.2108 3.2108 3.2108 3.2108 8.9035 8.9035 8.9035 8.9035 10.2948 10.2948 k = 0.0104 0.3869 0.3029 ( 4916 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5634 -20.5634 -20.5634 -20.5634 -19.1528 -19.1528 -19.1528 -19.1528 -19.0005 -19.0005 -19.0005 -19.0005 -18.9230 -18.9230 -18.9230 -18.9230 -11.1942 -11.1942 -11.1942 -11.1942 -3.4307 -3.4307 -3.4307 -3.4307 -2.5686 -2.5686 -2.5686 -2.5686 -1.9295 -1.9295 -1.9295 -1.9295 3.0650 3.0650 3.0650 3.0650 3.2134 3.2134 3.2134 3.2134 8.9019 8.9019 8.9019 8.9019 10.2889 10.2889 k = 0.0000 0.3869 0.3029 ( 4912 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5635 -20.5635 -20.5635 -20.5635 -19.1528 -19.1528 -19.1528 -19.1528 -19.0004 -19.0004 -19.0004 -19.0004 -18.9230 -18.9230 -18.9230 -18.9230 -11.1944 -11.1944 -11.1944 -11.1944 -3.4307 -3.4307 -3.4307 -3.4307 -2.5687 -2.5687 -2.5687 -2.5687 -1.9286 -1.9286 -1.9286 -1.9286 3.0650 3.0650 3.0650 3.0650 3.2142 3.2142 3.2142 3.2142 8.9014 8.9014 8.9014 8.9014 10.2869 10.2869 k = 0.0000 0.3869 0.3029 ( 4912 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5635 -20.5635 -20.5635 -20.5635 -19.1528 -19.1528 -19.1528 -19.1528 -19.0004 -19.0004 -19.0004 -19.0004 -18.9230 -18.9230 -18.9230 -18.9230 -11.1944 -11.1944 -11.1944 -11.1944 -3.4307 -3.4307 -3.4307 -3.4307 -2.5687 -2.5687 -2.5687 -2.5687 -1.9286 -1.9286 -1.9286 -1.9286 3.0650 3.0650 3.0650 3.0650 3.2142 3.2142 3.2142 3.2142 8.9014 8.9014 8.9014 8.9014 10.2869 10.2869 k = 0.0000 0.3764 0.3029 ( 4912 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5634 -20.5634 -20.5634 -20.5634 -19.1528 -19.1528 -19.1528 -19.1528 -19.0004 -19.0004 -19.0004 -19.0004 -18.9231 -18.9231 -18.9231 -18.9231 -11.1941 -11.1941 -11.1941 -11.1941 -3.4315 -3.4315 -3.4315 -3.4315 -2.5677 -2.5677 -2.5677 -2.5677 -1.9286 -1.9286 -1.9286 -1.9286 3.0641 3.0641 3.0641 3.0641 3.2142 3.2142 3.2142 3.2142 8.8986 8.8986 8.8986 8.8986 10.2909 10.2909 k = 0.0000 0.3659 0.3029 ( 4924 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5631 -20.5631 -20.5631 -20.5631 -19.1529 -19.1529 -19.1529 -19.1529 -19.0005 -19.0005 -19.0005 -19.0005 -18.9235 -18.9235 -18.9235 -18.9235 -11.1934 -11.1934 -11.1934 -11.1934 -3.4341 -3.4341 -3.4341 -3.4341 -2.5647 -2.5647 -2.5647 -2.5647 -1.9285 -1.9285 -1.9285 -1.9285 3.0615 3.0615 3.0615 3.0615 3.2142 3.2142 3.2142 3.2142 8.8904 8.8904 8.8904 8.8904 10.3029 10.3029 k = 0.0000 0.3555 0.3029 ( 4924 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5626 -20.5626 -20.5626 -20.5626 -19.1531 -19.1531 -19.1531 -19.1531 -19.0006 -19.0006 -19.0006 -19.0006 -18.9242 -18.9242 -18.9242 -18.9242 -11.1922 -11.1922 -11.1922 -11.1922 -3.4383 -3.4383 -3.4383 -3.4383 -2.5598 -2.5598 -2.5598 -2.5598 -1.9284 -1.9284 -1.9284 -1.9284 3.0572 3.0572 3.0572 3.0572 3.2141 3.2141 3.2141 3.2141 8.8772 8.8772 8.8772 8.8772 10.3225 10.3225 k = 0.0000 0.3450 0.3029 ( 4922 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5619 -20.5619 -20.5619 -20.5619 -19.1534 -19.1534 -19.1534 -19.1534 -19.0006 -19.0006 -19.0006 -19.0006 -18.9251 -18.9251 -18.9251 -18.9251 -11.1906 -11.1906 -11.1906 -11.1906 -3.4441 -3.4441 -3.4441 -3.4441 -2.5530 -2.5530 -2.5530 -2.5530 -1.9282 -1.9282 -1.9282 -1.9282 3.0513 3.0513 3.0513 3.0513 3.2140 3.2140 3.2140 3.2140 8.8593 8.8593 8.8593 8.8593 10.3491 10.3491 k = 0.0000 0.3346 0.3029 ( 4924 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5609 -20.5609 -20.5609 -20.5609 -19.1537 -19.1537 -19.1537 -19.1537 -19.0007 -19.0007 -19.0007 -19.0007 -18.9263 -18.9263 -18.9263 -18.9263 -11.1885 -11.1885 -11.1885 -11.1885 -3.4513 -3.4513 -3.4513 -3.4513 -2.5444 -2.5444 -2.5444 -2.5444 -1.9280 -1.9280 -1.9280 -1.9280 3.0437 3.0437 3.0437 3.0437 3.2139 3.2139 3.2139 3.2139 8.8375 8.8375 8.8375 8.8375 10.3820 10.3820 k = 0.0000 0.3241 0.3029 ( 4922 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5598 -20.5598 -20.5598 -20.5598 -19.1540 -19.1540 -19.1540 -19.1540 -19.0008 -19.0008 -19.0008 -19.0008 -18.9276 -18.9276 -18.9276 -18.9276 -11.1860 -11.1860 -11.1860 -11.1860 -3.4599 -3.4599 -3.4599 -3.4599 -2.5343 -2.5343 -2.5343 -2.5343 -1.9278 -1.9278 -1.9278 -1.9278 3.0346 3.0346 3.0346 3.0346 3.2137 3.2137 3.2137 3.2137 8.8124 8.8124 8.8124 8.8124 10.4204 10.4204 k = 0.0000 0.3137 0.3029 ( 4926 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5585 -20.5585 -20.5585 -20.5585 -19.1545 -19.1545 -19.1545 -19.1545 -19.0010 -19.0010 -19.0010 -19.0010 -18.9293 -18.9293 -18.9293 -18.9293 -11.1831 -11.1831 -11.1831 -11.1831 -3.4696 -3.4696 -3.4696 -3.4696 -2.5227 -2.5227 -2.5227 -2.5227 -1.9275 -1.9275 -1.9275 -1.9275 3.0240 3.0240 3.0240 3.0240 3.2136 3.2136 3.2136 3.2136 8.7846 8.7846 8.7846 8.7846 10.4635 10.4635 k = 0.0000 0.3032 0.3029 ( 4926 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5571 -20.5571 -20.5571 -20.5571 -19.1550 -19.1550 -19.1550 -19.1550 -19.0012 -19.0012 -19.0012 -19.0012 -18.9311 -18.9311 -18.9311 -18.9311 -11.1797 -11.1797 -11.1797 -11.1797 -3.4804 -3.4804 -3.4804 -3.4804 -2.5098 -2.5098 -2.5098 -2.5098 -1.9272 -1.9272 -1.9272 -1.9272 3.0121 3.0121 3.0121 3.0121 3.2134 3.2134 3.2134 3.2134 8.7547 8.7547 8.7547 8.7547 10.5106 10.5106 k = 0.0000 0.2928 0.3029 ( 4924 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5554 -20.5554 -20.5554 -20.5554 -19.1556 -19.1556 -19.1556 -19.1556 -19.0013 -19.0013 -19.0013 -19.0013 -18.9331 -18.9331 -18.9331 -18.9331 -11.1760 -11.1760 -11.1760 -11.1760 -3.4920 -3.4920 -3.4920 -3.4920 -2.4958 -2.4958 -2.4958 -2.4958 -1.9268 -1.9268 -1.9268 -1.9268 2.9988 2.9988 2.9988 2.9988 3.2132 3.2132 3.2132 3.2132 8.7233 8.7233 8.7233 8.7233 10.5608 10.5608 k = 0.0000 0.2823 0.3029 ( 4926 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5536 -20.5536 -20.5536 -20.5536 -19.1562 -19.1562 -19.1562 -19.1562 -19.0016 -19.0016 -19.0016 -19.0016 -18.9353 -18.9353 -18.9353 -18.9353 -11.1720 -11.1720 -11.1720 -11.1720 -3.5044 -3.5044 -3.5044 -3.5044 -2.4809 -2.4809 -2.4809 -2.4809 -1.9264 -1.9264 -1.9264 -1.9264 2.9843 2.9843 2.9843 2.9843 3.2130 3.2130 3.2130 3.2130 8.6909 8.6909 8.6909 8.6909 10.6135 10.6135 k = 0.0000 0.2718 0.3029 ( 4934 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5517 -20.5517 -20.5517 -20.5517 -19.1570 -19.1570 -19.1570 -19.1570 -19.0018 -19.0018 -19.0018 -19.0018 -18.9377 -18.9377 -18.9377 -18.9377 -11.1676 -11.1676 -11.1676 -11.1676 -3.5173 -3.5173 -3.5173 -3.5173 -2.4652 -2.4652 -2.4652 -2.4652 -1.9260 -1.9260 -1.9260 -1.9260 2.9687 2.9687 2.9687 2.9687 3.2128 3.2128 3.2128 3.2128 8.6578 8.6578 8.6578 8.6578 10.6679 10.6679 k = 0.0000 0.2614 0.3029 ( 4938 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5496 -20.5496 -20.5496 -20.5496 -19.1577 -19.1577 -19.1577 -19.1577 -19.0021 -19.0021 -19.0021 -19.0021 -18.9401 -18.9401 -18.9401 -18.9401 -11.1630 -11.1630 -11.1630 -11.1630 -3.5307 -3.5307 -3.5307 -3.5307 -2.4488 -2.4488 -2.4488 -2.4488 -1.9255 -1.9255 -1.9255 -1.9255 2.9522 2.9522 2.9522 2.9522 3.2126 3.2126 3.2126 3.2126 8.6246 8.6246 8.6246 8.6246 10.7234 10.7234 k = 0.0000 0.2509 0.3029 ( 4938 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5474 -20.5474 -20.5474 -20.5474 -19.1586 -19.1586 -19.1586 -19.1586 -19.0024 -19.0024 -19.0024 -19.0024 -18.9427 -18.9427 -18.9427 -18.9427 -11.1581 -11.1581 -11.1581 -11.1581 -3.5444 -3.5444 -3.5444 -3.5444 -2.4321 -2.4321 -2.4321 -2.4321 -1.9250 -1.9250 -1.9250 -1.9250 2.9349 2.9349 2.9349 2.9349 3.2123 3.2123 3.2123 3.2123 8.5914 8.5914 8.5914 8.5914 10.7794 10.7794 k = 0.0000 0.2405 0.3029 ( 4932 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5451 -20.5451 -20.5451 -20.5451 -19.1595 -19.1595 -19.1595 -19.1595 -19.0028 -19.0028 -19.0028 -19.0028 -18.9453 -18.9453 -18.9453 -18.9453 -11.1530 -11.1530 -11.1530 -11.1530 -3.5582 -3.5582 -3.5582 -3.5582 -2.4150 -2.4150 -2.4150 -2.4150 -1.9245 -1.9245 -1.9245 -1.9245 2.9169 2.9169 2.9169 2.9169 3.2121 3.2121 3.2121 3.2121 8.5586 8.5586 8.5586 8.5586 10.8354 10.8354 k = 0.0000 0.2300 0.3029 ( 4940 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5427 -20.5427 -20.5427 -20.5427 -19.1605 -19.1605 -19.1605 -19.1605 -19.0032 -19.0032 -19.0032 -19.0032 -18.9480 -18.9480 -18.9480 -18.9480 -11.1477 -11.1477 -11.1477 -11.1477 -3.5721 -3.5721 -3.5721 -3.5721 -2.3977 -2.3977 -2.3977 -2.3977 -1.9240 -1.9240 -1.9240 -1.9240 2.8983 2.8983 2.8983 2.8983 3.2119 3.2119 3.2119 3.2119 8.5264 8.5264 8.5264 8.5264 10.8908 10.8908 k = 0.0000 0.2196 0.3029 ( 4938 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5403 -20.5403 -20.5403 -20.5403 -19.1615 -19.1615 -19.1615 -19.1615 -19.0036 -19.0036 -19.0036 -19.0036 -18.9507 -18.9507 -18.9507 -18.9507 -11.1422 -11.1422 -11.1422 -11.1422 -3.5860 -3.5860 -3.5860 -3.5860 -2.3803 -2.3803 -2.3803 -2.3803 -1.9235 -1.9235 -1.9235 -1.9235 2.8793 2.8793 2.8793 2.8793 3.2117 3.2117 3.2117 3.2117 8.4948 8.4948 8.4948 8.4948 10.9451 10.9451 k = 0.0000 0.2091 0.3029 ( 4938 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5378 -20.5378 -20.5378 -20.5378 -19.1625 -19.1625 -19.1625 -19.1625 -19.0041 -19.0041 -19.0041 -19.0041 -18.9533 -18.9533 -18.9533 -18.9533 -11.1367 -11.1367 -11.1367 -11.1367 -3.5998 -3.5998 -3.5998 -3.5998 -2.3631 -2.3631 -2.3631 -2.3631 -1.9229 -1.9229 -1.9229 -1.9229 2.8600 2.8600 2.8600 2.8600 3.2115 3.2115 3.2115 3.2115 8.4642 8.4642 8.4642 8.4642 10.9980 10.9980 k = 0.0000 0.1987 0.3029 ( 4944 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5352 -20.5352 -20.5352 -20.5352 -19.1637 -19.1637 -19.1637 -19.1637 -19.0046 -19.0046 -19.0046 -19.0046 -18.9560 -18.9560 -18.9560 -18.9560 -11.1311 -11.1311 -11.1311 -11.1311 -3.6133 -3.6133 -3.6133 -3.6133 -2.3460 -2.3460 -2.3460 -2.3460 -1.9224 -1.9224 -1.9224 -1.9224 2.8406 2.8406 2.8406 2.8406 3.2113 3.2113 3.2113 3.2113 8.4346 8.4346 8.4346 8.4346 11.0490 11.0490 k = 0.0000 0.1882 0.3029 ( 4940 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5326 -20.5326 -20.5326 -20.5326 -19.1648 -19.1648 -19.1648 -19.1648 -19.0052 -19.0052 -19.0052 -19.0052 -18.9585 -18.9585 -18.9585 -18.9585 -11.1254 -11.1254 -11.1254 -11.1254 -3.6266 -3.6266 -3.6266 -3.6266 -2.3292 -2.3292 -2.3292 -2.3292 -1.9218 -1.9218 -1.9218 -1.9218 2.8212 2.8212 2.8212 2.8212 3.2110 3.2110 3.2110 3.2110 8.4061 8.4061 8.4061 8.4061 11.0977 11.0977 k = 0.0000 0.1777 0.3029 ( 4960 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5300 -20.5300 -20.5300 -20.5300 -19.1661 -19.1661 -19.1661 -19.1661 -19.0059 -19.0059 -19.0059 -19.0059 -18.9611 -18.9611 -18.9611 -18.9611 -11.1198 -11.1198 -11.1198 -11.1198 -3.6395 -3.6395 -3.6395 -3.6395 -2.3128 -2.3128 -2.3128 -2.3128 -1.9213 -1.9213 -1.9213 -1.9213 2.8020 2.8020 2.8020 2.8020 3.2108 3.2108 3.2108 3.2108 8.3788 8.3788 8.3788 8.3788 11.1439 11.1439 k = 0.0000 0.1673 0.3029 ( 4968 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5275 -20.5275 -20.5275 -20.5275 -19.1674 -19.1674 -19.1674 -19.1674 -19.0066 -19.0066 -19.0066 -19.0066 -18.9635 -18.9635 -18.9635 -18.9635 -11.1143 -11.1143 -11.1143 -11.1143 -3.6519 -3.6519 -3.6519 -3.6519 -2.2969 -2.2969 -2.2969 -2.2969 -1.9207 -1.9207 -1.9207 -1.9207 2.7830 2.7830 2.7830 2.7830 3.2105 3.2105 3.2105 3.2105 8.3528 8.3528 8.3528 8.3528 11.1874 11.1874 k = 0.0000 0.1568 0.3029 ( 4972 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5249 -20.5249 -20.5249 -20.5249 -19.1686 -19.1686 -19.1686 -19.1686 -19.0073 -19.0073 -19.0073 -19.0073 -18.9657 -18.9657 -18.9657 -18.9657 -11.1088 -11.1088 -11.1088 -11.1088 -3.6639 -3.6639 -3.6639 -3.6639 -2.2815 -2.2815 -2.2815 -2.2815 -1.9202 -1.9202 -1.9202 -1.9202 2.7645 2.7645 2.7645 2.7645 3.2103 3.2103 3.2103 3.2103 8.3282 8.3282 8.3282 8.3282 11.2280 11.2280 k = 0.0000 0.1464 0.3029 ( 4992 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5224 -20.5224 -20.5224 -20.5224 -19.1699 -19.1699 -19.1699 -19.1699 -19.0082 -19.0082 -19.0082 -19.0082 -18.9679 -18.9679 -18.9679 -18.9679 -11.1035 -11.1035 -11.1035 -11.1035 -3.6753 -3.6753 -3.6753 -3.6753 -2.2668 -2.2668 -2.2668 -2.2668 -1.9197 -1.9197 -1.9197 -1.9197 2.7465 2.7465 2.7465 2.7465 3.2101 3.2101 3.2101 3.2101 8.3049 8.3049 8.3049 8.3049 11.2656 11.2656 k = 0.0000 0.1359 0.3029 ( 4996 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5200 -20.5200 -20.5200 -20.5200 -19.1712 -19.1712 -19.1712 -19.1712 -19.0090 -19.0090 -19.0090 -19.0090 -18.9698 -18.9698 -18.9698 -18.9698 -11.0983 -11.0983 -11.0983 -11.0983 -3.6861 -3.6861 -3.6861 -3.6861 -2.2527 -2.2527 -2.2527 -2.2527 -1.9191 -1.9191 -1.9191 -1.9191 2.7291 2.7291 2.7291 2.7291 3.2099 3.2099 3.2099 3.2099 8.2831 8.2831 8.2831 8.2831 11.3001 11.3001 k = 0.0000 0.1255 0.3029 ( 4996 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5177 -20.5177 -20.5177 -20.5177 -19.1724 -19.1724 -19.1724 -19.1724 -19.0098 -19.0098 -19.0098 -19.0098 -18.9715 -18.9715 -18.9715 -18.9715 -11.0934 -11.0934 -11.0934 -11.0934 -3.6963 -3.6963 -3.6963 -3.6963 -2.2395 -2.2395 -2.2395 -2.2395 -1.9187 -1.9187 -1.9187 -1.9187 2.7126 2.7126 2.7126 2.7126 3.2098 3.2098 3.2098 3.2098 8.2628 8.2628 8.2628 8.2628 11.3315 11.3315 k = 0.0000 0.1150 0.3029 ( 4998 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5155 -20.5155 -20.5155 -20.5155 -19.1736 -19.1736 -19.1736 -19.1736 -19.0107 -19.0107 -19.0107 -19.0107 -18.9731 -18.9731 -18.9731 -18.9731 -11.0887 -11.0887 -11.0887 -11.0887 -3.7058 -3.7058 -3.7058 -3.7058 -2.2271 -2.2271 -2.2271 -2.2271 -1.9182 -1.9182 -1.9182 -1.9182 2.6970 2.6970 2.6970 2.6970 3.2096 3.2096 3.2096 3.2096 8.2440 8.2440 8.2440 8.2440 11.3599 11.3599 k = 0.0000 0.1046 0.3029 ( 4990 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5134 -20.5134 -20.5134 -20.5134 -19.1747 -19.1747 -19.1747 -19.1747 -19.0115 -19.0115 -19.0115 -19.0115 -18.9745 -18.9745 -18.9745 -18.9745 -11.0843 -11.0843 -11.0843 -11.0843 -3.7145 -3.7145 -3.7145 -3.7145 -2.2156 -2.2156 -2.2156 -2.2156 -1.9177 -1.9177 -1.9177 -1.9177 2.6824 2.6824 2.6824 2.6824 3.2094 3.2094 3.2094 3.2094 8.2268 8.2268 8.2268 8.2268 11.3854 11.3854 k = 0.0000 0.0941 0.3029 ( 4990 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5115 -20.5115 -20.5115 -20.5115 -19.1758 -19.1758 -19.1758 -19.1758 -19.0123 -19.0123 -19.0123 -19.0123 -18.9758 -18.9758 -18.9758 -18.9758 -11.0802 -11.0802 -11.0802 -11.0802 -3.7225 -3.7225 -3.7225 -3.7225 -2.2050 -2.2050 -2.2050 -2.2050 -1.9173 -1.9173 -1.9173 -1.9173 2.6688 2.6688 2.6688 2.6688 3.2093 3.2093 3.2093 3.2093 8.2111 8.2111 8.2111 8.2111 11.4079 11.4079 k = 0.0000 0.0836 0.3029 ( 4996 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5097 -20.5097 -20.5097 -20.5097 -19.1769 -19.1769 -19.1769 -19.1769 -19.0132 -19.0132 -19.0132 -19.0132 -18.9769 -18.9769 -18.9769 -18.9769 -11.0764 -11.0764 -11.0764 -11.0764 -3.7298 -3.7298 -3.7298 -3.7298 -2.1954 -2.1954 -2.1954 -2.1954 -1.9170 -1.9170 -1.9170 -1.9170 2.6565 2.6565 2.6565 2.6565 3.2091 3.2091 3.2091 3.2091 8.1971 8.1971 8.1971 8.1971 11.4277 11.4277 k = 0.0000 0.0732 0.3029 ( 4992 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5081 -20.5081 -20.5081 -20.5081 -19.1778 -19.1778 -19.1778 -19.1778 -19.0139 -19.0139 -19.0139 -19.0139 -18.9778 -18.9778 -18.9778 -18.9778 -11.0731 -11.0731 -11.0731 -11.0731 -3.7362 -3.7362 -3.7362 -3.7362 -2.1868 -2.1868 -2.1868 -2.1868 -1.9166 -1.9166 -1.9166 -1.9166 2.6454 2.6454 2.6454 2.6454 3.2090 3.2090 3.2090 3.2090 8.1846 8.1846 8.1846 8.1846 11.4449 11.4449 k = 0.0000 0.0627 0.3029 ( 4988 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5066 -20.5066 -20.5066 -20.5066 -19.1787 -19.1787 -19.1787 -19.1787 -19.0146 -19.0146 -19.0146 -19.0146 -18.9785 -18.9785 -18.9785 -18.9785 -11.0701 -11.0701 -11.0701 -11.0701 -3.7418 -3.7418 -3.7418 -3.7418 -2.1793 -2.1793 -2.1793 -2.1793 -1.9163 -1.9163 -1.9163 -1.9163 2.6357 2.6357 2.6357 2.6357 3.2089 3.2089 3.2089 3.2089 8.1738 8.1738 8.1738 8.1738 11.4595 11.4595 k = 0.0000 0.0523 0.3029 ( 4984 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5054 -20.5054 -20.5054 -20.5054 -19.1794 -19.1794 -19.1794 -19.1794 -19.0152 -19.0152 -19.0152 -19.0152 -18.9792 -18.9792 -18.9792 -18.9792 -11.0675 -11.0675 -11.0675 -11.0675 -3.7466 -3.7466 -3.7466 -3.7466 -2.1730 -2.1730 -2.1730 -2.1730 -1.9161 -1.9161 -1.9161 -1.9161 2.6273 2.6273 2.6273 2.6273 3.2088 3.2088 3.2088 3.2088 8.1647 8.1647 8.1647 8.1647 11.4717 11.4717 k = 0.0000 0.0418 0.3029 ( 4988 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5044 -20.5044 -20.5044 -20.5044 -19.1800 -19.1800 -19.1800 -19.1800 -19.0157 -19.0157 -19.0157 -19.0157 -18.9797 -18.9797 -18.9797 -18.9797 -11.0654 -11.0654 -11.0654 -11.0654 -3.7506 -3.7506 -3.7506 -3.7506 -2.1677 -2.1677 -2.1677 -2.1677 -1.9159 -1.9159 -1.9159 -1.9159 2.6204 2.6204 2.6204 2.6204 3.2087 3.2087 3.2087 3.2087 8.1571 8.1571 8.1571 8.1571 11.4816 11.4816 k = 0.0000 0.0314 0.3029 ( 4976 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5036 -20.5036 -20.5036 -20.5036 -19.1805 -19.1805 -19.1805 -19.1805 -19.0161 -19.0161 -19.0161 -19.0161 -18.9801 -18.9801 -18.9801 -18.9801 -11.0637 -11.0637 -11.0637 -11.0637 -3.7537 -3.7537 -3.7537 -3.7537 -2.1636 -2.1636 -2.1636 -2.1636 -1.9157 -1.9157 -1.9157 -1.9157 2.6150 2.6150 2.6150 2.6150 3.2087 3.2087 3.2087 3.2087 8.1513 8.1513 8.1513 8.1513 11.4891 11.4891 k = 0.0000 0.0209 0.3029 ( 4976 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5030 -20.5030 -20.5030 -20.5030 -19.1808 -19.1808 -19.1808 -19.1808 -19.0164 -19.0164 -19.0164 -19.0164 -18.9804 -18.9804 -18.9804 -18.9804 -11.0625 -11.0625 -11.0625 -11.0625 -3.7559 -3.7559 -3.7559 -3.7559 -2.1606 -2.1606 -2.1606 -2.1606 -1.9156 -1.9156 -1.9156 -1.9156 2.6111 2.6111 2.6111 2.6111 3.2087 3.2087 3.2087 3.2087 8.1471 8.1471 8.1471 8.1471 11.4945 11.4945 k = 0.0000 0.0105 0.3029 ( 4974 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5027 -20.5027 -20.5027 -20.5027 -19.1810 -19.1810 -19.1810 -19.1810 -19.0165 -19.0165 -19.0165 -19.0165 -18.9805 -18.9805 -18.9805 -18.9805 -11.0618 -11.0618 -11.0618 -11.0618 -3.7572 -3.7572 -3.7572 -3.7572 -2.1589 -2.1589 -2.1589 -2.1589 -1.9155 -1.9155 -1.9155 -1.9155 2.6088 2.6088 2.6088 2.6088 3.2086 3.2086 3.2086 3.2086 8.1446 8.1446 8.1446 8.1446 11.4977 11.4977 k = 0.0000 0.0000 0.3029 ( 4968 PWs) bands (ev): -47.1341 -47.1341 -47.1341 -47.1341 -20.5025 -20.5025 -20.5025 -20.5025 -19.1811 -19.1811 -19.1811 -19.1811 -19.0166 -19.0166 -19.0166 -19.0166 -18.9805 -18.9805 -18.9805 -18.9805 -11.0616 -11.0616 -11.0616 -11.0616 -3.7576 -3.7576 -3.7576 -3.7576 -2.1582 -2.1582 -2.1582 -2.1582 -1.9154 -1.9154 -1.9154 -1.9154 2.6080 2.6080 2.6080 2.6080 3.2086 3.2086 3.2086 3.2086 8.1438 8.1438 8.1438 8.1438 11.4988 11.4988 k = 0.0000 0.3869-0.0000 ( 4982 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5289 -20.5289 -20.5289 -20.5289 -19.1688 -19.1688 -19.1688 -19.1688 -19.0110 -19.0110 -19.0110 -19.0110 -18.9506 -18.9506 -18.9506 -18.9506 -11.1487 -11.1487 -11.1487 -11.1487 -3.6499 -3.6499 -3.6499 -3.6499 -2.3070 -2.3070 -2.3070 -2.3070 -1.9276 -1.9276 -1.9276 -1.9276 2.9656 2.9656 2.9656 2.9656 3.2155 3.2155 3.2155 3.2155 8.2189 8.2189 8.2189 8.2189 11.9828 11.9828 k = 0.0000 0.3869 0.0104 ( 4964 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5290 -20.5290 -20.5290 -20.5290 -19.1686 -19.1686 -19.1686 -19.1686 -19.0109 -19.0109 -19.0109 -19.0109 -18.9505 -18.9505 -18.9505 -18.9505 -11.1488 -11.1488 -11.1488 -11.1488 -3.6494 -3.6494 -3.6494 -3.6494 -2.3077 -2.3077 -2.3077 -2.3077 -1.9276 -1.9276 -1.9276 -1.9276 2.9659 2.9659 2.9659 2.9659 3.2155 3.2155 3.2155 3.2155 8.2202 8.2202 8.2202 8.2202 11.9771 11.9771 k = 0.0000 0.3869 0.0209 ( 4972 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5293 -20.5293 -20.5293 -20.5293 -19.1685 -19.1685 -19.1685 -19.1685 -19.0108 -19.0108 -19.0108 -19.0108 -18.9504 -18.9504 -18.9504 -18.9504 -11.1492 -11.1492 -11.1492 -11.1492 -3.6478 -3.6478 -3.6478 -3.6478 -2.3096 -2.3096 -2.3096 -2.3096 -1.9276 -1.9276 -1.9276 -1.9276 2.9668 2.9668 2.9668 2.9668 3.2155 3.2155 3.2155 3.2155 8.2242 8.2242 8.2242 8.2242 11.9600 11.9600 k = 0.0000 0.3869 0.0313 ( 4972 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5298 -20.5298 -20.5298 -20.5298 -19.1682 -19.1682 -19.1682 -19.1682 -19.0106 -19.0106 -19.0106 -19.0106 -18.9500 -18.9500 -18.9500 -18.9500 -11.1499 -11.1499 -11.1499 -11.1499 -3.6452 -3.6452 -3.6452 -3.6452 -2.3129 -2.3129 -2.3129 -2.3129 -1.9276 -1.9276 -1.9276 -1.9276 2.9682 2.9682 2.9682 2.9682 3.2155 3.2155 3.2155 3.2155 8.2308 8.2308 8.2308 8.2308 11.9319 11.9319 k = 0.0000 0.3869 0.0418 ( 4962 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5305 -20.5305 -20.5305 -20.5305 -19.1678 -19.1678 -19.1678 -19.1678 -19.0103 -19.0103 -19.0103 -19.0103 -18.9496 -18.9496 -18.9496 -18.9496 -11.1508 -11.1508 -11.1508 -11.1508 -3.6416 -3.6416 -3.6416 -3.6416 -2.3174 -2.3174 -2.3174 -2.3174 -1.9276 -1.9276 -1.9276 -1.9276 2.9702 2.9702 2.9702 2.9702 3.2155 3.2155 3.2155 3.2155 8.2400 8.2400 8.2400 8.2400 11.8930 11.8930 k = 0.0000 0.3869 0.0522 ( 4954 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5314 -20.5314 -20.5314 -20.5314 -19.1673 -19.1673 -19.1673 -19.1673 -19.0099 -19.0099 -19.0099 -19.0099 -18.9490 -18.9490 -18.9490 -18.9490 -11.1520 -11.1520 -11.1520 -11.1520 -3.6369 -3.6369 -3.6369 -3.6369 -2.3231 -2.3231 -2.3231 -2.3231 -1.9277 -1.9277 -1.9277 -1.9277 2.9728 2.9728 2.9728 2.9728 3.2154 3.2154 3.2154 3.2154 8.2518 8.2518 8.2518 8.2518 11.8442 11.8442 k = 0.0000 0.3869 0.0627 ( 4954 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5325 -20.5325 -20.5325 -20.5325 -19.1667 -19.1667 -19.1667 -19.1667 -19.0095 -19.0095 -19.0095 -19.0095 -18.9483 -18.9483 -18.9483 -18.9483 -11.1534 -11.1534 -11.1534 -11.1534 -3.6313 -3.6313 -3.6313 -3.6313 -2.3301 -2.3301 -2.3301 -2.3301 -1.9277 -1.9277 -1.9277 -1.9277 2.9759 2.9759 2.9759 2.9759 3.2154 3.2154 3.2154 3.2154 8.2662 8.2662 8.2662 8.2662 11.7864 11.7864 k = 0.0000 0.3869 0.0731 ( 4942 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5338 -20.5338 -20.5338 -20.5338 -19.1661 -19.1661 -19.1661 -19.1661 -19.0090 -19.0090 -19.0090 -19.0090 -18.9475 -18.9475 -18.9475 -18.9475 -11.1550 -11.1550 -11.1550 -11.1550 -3.6248 -3.6248 -3.6248 -3.6248 -2.3381 -2.3381 -2.3381 -2.3381 -1.9277 -1.9277 -1.9277 -1.9277 2.9794 2.9794 2.9794 2.9794 3.2154 3.2154 3.2154 3.2154 8.2831 8.2831 8.2831 8.2831 11.7209 11.7209 k = 0.0000 0.3869 0.0836 ( 4936 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5351 -20.5351 -20.5351 -20.5351 -19.1653 -19.1653 -19.1653 -19.1653 -19.0085 -19.0085 -19.0085 -19.0085 -18.9465 -18.9465 -18.9465 -18.9465 -11.1568 -11.1568 -11.1568 -11.1568 -3.6173 -3.6173 -3.6173 -3.6173 -2.3472 -2.3472 -2.3472 -2.3472 -1.9278 -1.9278 -1.9278 -1.9278 2.9834 2.9834 2.9834 2.9834 3.2153 3.2153 3.2153 3.2153 8.3024 8.3024 8.3024 8.3024 11.6491 11.6491 k = 0.0000 0.3869 0.0940 ( 4928 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5367 -20.5367 -20.5367 -20.5367 -19.1645 -19.1645 -19.1645 -19.1645 -19.0080 -19.0080 -19.0080 -19.0080 -18.9454 -18.9454 -18.9454 -18.9454 -11.1587 -11.1587 -11.1587 -11.1587 -3.6091 -3.6091 -3.6091 -3.6091 -2.3573 -2.3573 -2.3573 -2.3573 -1.9278 -1.9278 -1.9278 -1.9278 2.9877 2.9877 2.9877 2.9877 3.2152 3.2152 3.2152 3.2152 8.3241 8.3241 8.3241 8.3241 11.5723 11.5723 k = 0.0000 0.3869 0.1045 ( 4932 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5383 -20.5383 -20.5383 -20.5383 -19.1637 -19.1637 -19.1637 -19.1637 -19.0074 -19.0074 -19.0074 -19.0074 -18.9443 -18.9443 -18.9443 -18.9443 -11.1609 -11.1609 -11.1609 -11.1609 -3.6001 -3.6001 -3.6001 -3.6001 -2.3683 -2.3683 -2.3683 -2.3683 -1.9278 -1.9278 -1.9278 -1.9278 2.9924 2.9924 2.9924 2.9924 3.2152 3.2152 3.2152 3.2152 8.3481 8.3481 8.3481 8.3481 11.4916 11.4916 k = 0.0000 0.3869 0.1149 ( 4938 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5400 -20.5400 -20.5400 -20.5400 -19.1629 -19.1629 -19.1629 -19.1629 -19.0069 -19.0069 -19.0069 -19.0069 -18.9431 -18.9431 -18.9431 -18.9431 -11.1631 -11.1631 -11.1631 -11.1631 -3.5904 -3.5904 -3.5904 -3.5904 -2.3802 -2.3802 -2.3802 -2.3802 -1.9279 -1.9279 -1.9279 -1.9279 2.9973 2.9973 2.9973 2.9973 3.2151 3.2151 3.2151 3.2151 8.3743 8.3743 8.3743 8.3743 11.4083 11.4083 k = 0.0000 0.3869 0.1253 ( 4940 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5418 -20.5418 -20.5418 -20.5418 -19.1621 -19.1621 -19.1621 -19.1621 -19.0063 -19.0063 -19.0063 -19.0063 -18.9417 -18.9417 -18.9417 -18.9417 -11.1654 -11.1654 -11.1654 -11.1654 -3.5801 -3.5801 -3.5801 -3.5801 -2.3927 -2.3927 -2.3927 -2.3927 -1.9280 -1.9280 -1.9280 -1.9280 3.0024 3.0024 3.0024 3.0024 3.2150 3.2150 3.2150 3.2150 8.4026 8.4026 8.4026 8.4026 11.3233 11.3233 k = 0.0000 0.3869 0.1358 ( 4936 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5436 -20.5436 -20.5436 -20.5436 -19.1612 -19.1612 -19.1612 -19.1612 -19.0057 -19.0057 -19.0057 -19.0057 -18.9403 -18.9403 -18.9403 -18.9403 -11.1679 -11.1679 -11.1679 -11.1679 -3.5692 -3.5692 -3.5692 -3.5692 -2.4058 -2.4058 -2.4058 -2.4058 -1.9280 -1.9280 -1.9280 -1.9280 3.0077 3.0077 3.0077 3.0077 3.2149 3.2149 3.2149 3.2149 8.4329 8.4329 8.4329 8.4329 11.2375 11.2375 k = 0.0000 0.3869 0.1462 ( 4928 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5455 -20.5455 -20.5455 -20.5455 -19.1603 -19.1603 -19.1603 -19.1603 -19.0051 -19.0051 -19.0051 -19.0051 -18.9388 -18.9388 -18.9388 -18.9388 -11.1703 -11.1703 -11.1703 -11.1703 -3.5579 -3.5579 -3.5579 -3.5579 -2.4194 -2.4194 -2.4194 -2.4194 -1.9281 -1.9281 -1.9281 -1.9281 3.0131 3.0131 3.0131 3.0131 3.2149 3.2149 3.2149 3.2149 8.4650 8.4650 8.4650 8.4650 11.1514 11.1514 k = 0.0000 0.3869 0.1567 ( 4932 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5474 -20.5474 -20.5474 -20.5474 -19.1595 -19.1595 -19.1595 -19.1595 -19.0046 -19.0046 -19.0046 -19.0046 -18.9373 -18.9373 -18.9373 -18.9373 -11.1728 -11.1728 -11.1728 -11.1728 -3.5463 -3.5463 -3.5463 -3.5463 -2.4333 -2.4333 -2.4333 -2.4333 -1.9281 -1.9281 -1.9281 -1.9281 3.0184 3.0184 3.0184 3.0184 3.2148 3.2148 3.2148 3.2148 8.4987 8.4987 8.4987 8.4987 11.0659 11.0659 k = 0.0000 0.3869 0.1671 ( 4932 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5492 -20.5492 -20.5492 -20.5492 -19.1587 -19.1587 -19.1587 -19.1587 -19.0040 -19.0040 -19.0040 -19.0040 -18.9358 -18.9358 -18.9358 -18.9358 -11.1752 -11.1752 -11.1752 -11.1752 -3.5346 -3.5346 -3.5346 -3.5346 -2.4474 -2.4474 -2.4474 -2.4474 -1.9282 -1.9282 -1.9282 -1.9282 3.0238 3.0238 3.0238 3.0238 3.2147 3.2147 3.2147 3.2147 8.5339 8.5339 8.5339 8.5339 10.9815 10.9815 k = 0.0000 0.3869 0.1776 ( 4932 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5511 -20.5511 -20.5511 -20.5511 -19.1579 -19.1579 -19.1579 -19.1579 -19.0035 -19.0035 -19.0035 -19.0035 -18.9343 -18.9343 -18.9343 -18.9343 -11.1777 -11.1777 -11.1777 -11.1777 -3.5227 -3.5227 -3.5227 -3.5227 -2.4615 -2.4615 -2.4615 -2.4615 -1.9282 -1.9282 -1.9282 -1.9282 3.0290 3.0290 3.0290 3.0290 3.2146 3.2146 3.2146 3.2146 8.5701 8.5701 8.5701 8.5701 10.8987 10.8987 k = 0.0000 0.3869 0.1880 ( 4940 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5528 -20.5528 -20.5528 -20.5528 -19.1572 -19.1572 -19.1572 -19.1572 -19.0031 -19.0031 -19.0031 -19.0031 -18.9328 -18.9328 -18.9328 -18.9328 -11.1800 -11.1800 -11.1800 -11.1800 -3.5109 -3.5109 -3.5109 -3.5109 -2.4755 -2.4755 -2.4755 -2.4755 -1.9283 -1.9283 -1.9283 -1.9283 3.0340 3.0340 3.0340 3.0340 3.2146 3.2146 3.2146 3.2146 8.6072 8.6072 8.6072 8.6072 10.8182 10.8182 k = 0.0000 0.3869 0.1985 ( 4940 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5545 -20.5545 -20.5545 -20.5545 -19.1564 -19.1564 -19.1564 -19.1564 -19.0026 -19.0026 -19.0026 -19.0026 -18.9314 -18.9314 -18.9314 -18.9314 -11.1822 -11.1822 -11.1822 -11.1822 -3.4993 -3.4993 -3.4993 -3.4993 -2.4891 -2.4891 -2.4891 -2.4891 -1.9283 -1.9283 -1.9283 -1.9283 3.0389 3.0389 3.0389 3.0389 3.2145 3.2145 3.2145 3.2145 8.6448 8.6448 8.6448 8.6448 10.7405 10.7405 k = 0.0000 0.3869 0.2089 ( 4936 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5561 -20.5561 -20.5561 -20.5561 -19.1558 -19.1558 -19.1558 -19.1558 -19.0022 -19.0022 -19.0022 -19.0022 -18.9300 -18.9300 -18.9300 -18.9300 -11.1844 -11.1844 -11.1844 -11.1844 -3.4881 -3.4881 -3.4881 -3.4881 -2.5023 -2.5023 -2.5023 -2.5023 -1.9284 -1.9284 -1.9284 -1.9284 3.0434 3.0434 3.0434 3.0434 3.2145 3.2145 3.2145 3.2145 8.6823 8.6823 8.6823 8.6823 10.6663 10.6663 k = 0.0000 0.3869 0.2194 ( 4932 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5575 -20.5575 -20.5575 -20.5575 -19.1552 -19.1552 -19.1552 -19.1552 -19.0019 -19.0019 -19.0019 -19.0019 -18.9286 -18.9286 -18.9286 -18.9286 -11.1863 -11.1863 -11.1863 -11.1863 -3.4774 -3.4774 -3.4774 -3.4774 -2.5148 -2.5148 -2.5148 -2.5148 -1.9284 -1.9284 -1.9284 -1.9284 3.0477 3.0477 3.0477 3.0477 3.2144 3.2144 3.2144 3.2144 8.7193 8.7193 8.7193 8.7193 10.5961 10.5961 k = 0.0000 0.3869 0.2298 ( 4928 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5589 -20.5589 -20.5589 -20.5589 -19.1546 -19.1546 -19.1546 -19.1546 -19.0015 -19.0015 -19.0015 -19.0015 -18.9274 -18.9274 -18.9274 -18.9274 -11.1881 -11.1881 -11.1881 -11.1881 -3.4674 -3.4674 -3.4674 -3.4674 -2.5264 -2.5264 -2.5264 -2.5264 -1.9285 -1.9285 -1.9285 -1.9285 3.0515 3.0515 3.0515 3.0515 3.2144 3.2144 3.2144 3.2144 8.7551 8.7551 8.7551 8.7551 10.5308 10.5308 k = 0.0000 0.3869 0.2402 ( 4932 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5601 -20.5601 -20.5601 -20.5601 -19.1542 -19.1542 -19.1542 -19.1542 -19.0013 -19.0013 -19.0013 -19.0013 -18.9263 -18.9263 -18.9263 -18.9263 -11.1897 -11.1897 -11.1897 -11.1897 -3.4583 -3.4583 -3.4583 -3.4583 -2.5369 -2.5369 -2.5369 -2.5369 -1.9285 -1.9285 -1.9285 -1.9285 3.0550 3.0550 3.0550 3.0550 3.2143 3.2143 3.2143 3.2143 8.7890 8.7890 8.7890 8.7890 10.4712 10.4712 k = 0.0000 0.3869 0.2507 ( 4940 PWs) bands (ev): -47.1340 -47.1340 -47.1340 -47.1340 -20.5611 -20.5611 -20.5611 -20.5611 -19.1538 -19.1538 -19.1538 -19.1538 -19.0010 -19.0010 -19.0010 -19.0010 -18.9253 -18.9253 -18.9253 -18.9253 -11.1911 -11.1911 -11.1911 -11.1911 -3.4503 -3.4503 -3.4503 -3.4503 -2.5463 -2.5463 -2.5463 -2.5463 -1.9286 -1.9286 -1.9286 -1.9286 3.0579 3.0579 3.0579 3.0579 3.2143 3.2143 3.2143 3.2143 8.8201 8.8201 8.8201 8.8201 10.4183 10.4183 k = 0.0000 0.3869 0.2611 ( 4930 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5620 -20.5620 -20.5620 -20.5620 -19.1534 -19.1534 -19.1534 -19.1534 -19.0008 -19.0008 -19.0008 -19.0008 -18.9245 -18.9245 -18.9245 -18.9245 -11.1923 -11.1923 -11.1923 -11.1923 -3.4435 -3.4435 -3.4435 -3.4435 -2.5541 -2.5541 -2.5541 -2.5541 -1.9285 -1.9285 -1.9285 -1.9285 3.0604 3.0604 3.0604 3.0604 3.2143 3.2143 3.2143 3.2143 8.8474 8.8474 8.8474 8.8474 10.3729 10.3729 k = 0.0000 0.3869 0.2716 ( 4918 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5626 -20.5626 -20.5626 -20.5626 -19.1531 -19.1531 -19.1531 -19.1531 -19.0006 -19.0006 -19.0006 -19.0006 -18.9238 -18.9238 -18.9238 -18.9238 -11.1932 -11.1932 -11.1932 -11.1932 -3.4380 -3.4380 -3.4380 -3.4380 -2.5604 -2.5604 -2.5604 -2.5604 -1.9286 -1.9286 -1.9286 -1.9286 3.0624 3.0624 3.0624 3.0624 3.2143 3.2143 3.2143 3.2143 8.8702 8.8702 8.8702 8.8702 10.3362 10.3362 k = 0.0000 0.3869 0.2820 ( 4920 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5631 -20.5631 -20.5631 -20.5631 -19.1529 -19.1529 -19.1529 -19.1529 -19.0005 -19.0005 -19.0005 -19.0005 -18.9234 -18.9234 -18.9234 -18.9234 -11.1938 -11.1938 -11.1938 -11.1938 -3.4340 -3.4340 -3.4340 -3.4340 -2.5650 -2.5650 -2.5650 -2.5650 -1.9286 -1.9286 -1.9286 -1.9286 3.0638 3.0638 3.0638 3.0638 3.2142 3.2142 3.2142 3.2142 8.8872 8.8872 8.8872 8.8872 10.3091 10.3091 k = 0.0000 0.3869 0.2925 ( 4912 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5634 -20.5634 -20.5634 -20.5634 -19.1528 -19.1528 -19.1528 -19.1528 -19.0004 -19.0004 -19.0004 -19.0004 -18.9231 -18.9231 -18.9231 -18.9231 -11.1942 -11.1942 -11.1942 -11.1942 -3.4315 -3.4315 -3.4315 -3.4315 -2.5678 -2.5678 -2.5678 -2.5678 -1.9286 -1.9286 -1.9286 -1.9286 3.0646 3.0646 3.0646 3.0646 3.2142 3.2142 3.2142 3.2142 8.8978 8.8978 8.8978 8.8978 10.2925 10.2925 k = 0.0000 0.3869 0.3029 ( 4912 PWs) bands (ev): -47.1339 -47.1339 -47.1339 -47.1339 -20.5635 -20.5635 -20.5635 -20.5635 -19.1528 -19.1528 -19.1528 -19.1528 -19.0004 -19.0004 -19.0004 -19.0004 -18.9230 -18.9230 -18.9230 -18.9230 -11.1944 -11.1944 -11.1944 -11.1944 -3.4307 -3.4307 -3.4307 -3.4307 -2.5687 -2.5687 -2.5687 -2.5687 -1.9286 -1.9286 -1.9286 -1.9286 3.0650 3.0650 3.0650 3.0650 3.2142 3.2142 3.2142 3.2142 8.9014 8.9014 8.9014 8.9014 10.2869 10.2869 k = 0.5000-0.0000 0.3029 ( 4948 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4981 -20.4981 -20.4972 -20.4972 -19.1768 -19.1768 -19.1657 -19.1657 -19.0235 -19.0235 -19.0117 -19.0117 -18.9501 -18.9501 -18.9484 -18.9484 -11.0160 -11.0160 -11.0159 -11.0159 -3.4380 -3.4380 -3.4369 -3.4369 -2.9979 -2.9979 -2.9892 -2.9892 -2.1035 -2.1035 -2.0933 -2.0933 2.5471 2.5471 2.5506 2.5506 2.8306 2.8306 2.8375 2.8375 9.7546 9.7546 9.7642 9.7642 11.7604 11.7604 k = 0.5000-0.0000 0.2925 ( 4948 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4980 -20.4980 -20.4971 -20.4971 -19.1768 -19.1768 -19.1657 -19.1657 -19.0235 -19.0235 -19.0117 -19.0117 -18.9502 -18.9502 -18.9486 -18.9486 -11.0159 -11.0159 -11.0158 -11.0158 -3.4389 -3.4389 -3.4378 -3.4378 -2.9967 -2.9967 -2.9881 -2.9881 -2.1037 -2.1037 -2.0935 -2.0935 2.5472 2.5472 2.5507 2.5507 2.8303 2.8303 2.8372 2.8372 9.7547 9.7547 9.7643 9.7643 11.7571 11.7571 k = 0.5000-0.0000 0.2820 ( 4950 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4977 -20.4977 -20.4968 -20.4968 -19.1769 -19.1769 -19.1658 -19.1658 -19.0235 -19.0235 -19.0117 -19.0117 -18.9506 -18.9506 -18.9489 -18.9489 -11.0155 -11.0155 -11.0154 -11.0154 -3.4416 -3.4416 -3.4405 -3.4405 -2.9932 -2.9932 -2.9846 -2.9846 -2.1043 -2.1043 -2.0941 -2.0941 2.5476 2.5476 2.5511 2.5511 2.8294 2.8294 2.8363 2.8363 9.7548 9.7548 9.7644 9.7644 11.7474 11.7474 k = 0.5000-0.0000 0.2716 ( 4944 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4972 -20.4972 -20.4963 -20.4963 -19.1769 -19.1769 -19.1659 -19.1659 -19.0235 -19.0235 -19.0116 -19.0116 -18.9513 -18.9513 -18.9495 -18.9495 -11.0149 -11.0149 -11.0148 -11.0148 -3.4460 -3.4460 -3.4449 -3.4449 -2.9875 -2.9875 -2.9790 -2.9790 -2.1054 -2.1054 -2.0952 -2.0952 2.5483 2.5483 2.5517 2.5517 2.8280 2.8280 2.8349 2.8349 9.7551 9.7551 9.7646 9.7646 11.7317 11.7317 k = 0.5000-0.0000 0.2611 ( 4940 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4965 -20.4965 -20.4956 -20.4956 -19.1770 -19.1770 -19.1661 -19.1661 -19.0234 -19.0234 -19.0116 -19.0116 -18.9522 -18.9522 -18.9504 -18.9504 -11.0141 -11.0141 -11.0140 -11.0140 -3.4519 -3.4519 -3.4508 -3.4508 -2.9798 -2.9798 -2.9714 -2.9714 -2.1068 -2.1068 -2.0967 -2.0967 2.5491 2.5491 2.5526 2.5526 2.8261 2.8261 2.8329 2.8329 9.7555 9.7555 9.7649 9.7649 11.7107 11.7107 k = 0.5000-0.0000 0.2507 ( 4936 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4957 -20.4957 -20.4948 -20.4948 -19.1772 -19.1772 -19.1664 -19.1664 -19.0234 -19.0234 -19.0115 -19.0115 -18.9534 -18.9534 -18.9514 -18.9514 -11.0131 -11.0131 -11.0130 -11.0130 -3.4592 -3.4592 -3.4580 -3.4580 -2.9703 -2.9703 -2.9620 -2.9620 -2.1087 -2.1087 -2.0986 -2.0986 2.5502 2.5502 2.5537 2.5537 2.8236 2.8236 2.8304 2.8304 9.7560 9.7560 9.7653 9.7653 11.6850 11.6850 k = 0.5000-0.0000 0.2402 ( 4944 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4946 -20.4946 -20.4937 -20.4937 -19.1774 -19.1774 -19.1668 -19.1668 -19.0234 -19.0234 -19.0115 -19.0115 -18.9548 -18.9548 -18.9527 -18.9527 -11.0119 -11.0119 -11.0118 -11.0118 -3.4676 -3.4676 -3.4663 -3.4663 -2.9593 -2.9593 -2.9510 -2.9510 -2.1109 -2.1109 -2.1009 -2.1009 2.5515 2.5515 2.5551 2.5551 2.8206 2.8206 2.8274 2.8274 9.7566 9.7566 9.7658 9.7658 11.6556 11.6556 k = 0.5000-0.0000 0.2298 ( 4948 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4934 -20.4934 -20.4925 -20.4925 -19.1777 -19.1777 -19.1672 -19.1672 -19.0234 -19.0234 -19.0115 -19.0115 -18.9565 -18.9565 -18.9542 -18.9542 -11.0104 -11.0104 -11.0104 -11.0104 -3.4768 -3.4768 -3.4755 -3.4755 -2.9468 -2.9468 -2.9387 -2.9387 -2.1136 -2.1136 -2.1037 -2.1037 2.5531 2.5531 2.5566 2.5566 2.8172 2.8172 2.8239 2.8239 9.7573 9.7573 9.7663 9.7663 11.6231 11.6231 k = 0.5000-0.0000 0.2194 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4921 -20.4921 -20.4912 -20.4912 -19.1780 -19.1780 -19.1676 -19.1676 -19.0234 -19.0234 -19.0114 -19.0114 -18.9584 -18.9584 -18.9558 -18.9558 -11.0089 -11.0089 -11.0088 -11.0088 -3.4868 -3.4868 -3.4854 -3.4854 -2.9333 -2.9333 -2.9252 -2.9252 -2.1166 -2.1166 -2.1068 -2.1068 2.5548 2.5548 2.5584 2.5584 2.8133 2.8133 2.8200 2.8200 9.7581 9.7581 9.7670 9.7670 11.5884 11.5884 k = 0.5000-0.0000 0.2089 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4906 -20.4906 -20.4897 -20.4897 -19.1783 -19.1783 -19.1681 -19.1681 -19.0234 -19.0234 -19.0113 -19.0113 -18.9604 -18.9604 -18.9576 -18.9576 -11.0071 -11.0071 -11.0070 -11.0070 -3.4971 -3.4971 -3.4958 -3.4958 -2.9188 -2.9188 -2.9109 -2.9109 -2.1200 -2.1200 -2.1103 -2.1103 2.5567 2.5567 2.5603 2.5603 2.8091 2.8091 2.8157 2.8157 9.7590 9.7590 9.7677 9.7677 11.5521 11.5521 k = 0.5000-0.0000 0.1985 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4889 -20.4889 -20.4881 -20.4881 -19.1786 -19.1786 -19.1687 -19.1687 -19.0234 -19.0234 -19.0113 -19.0113 -18.9625 -18.9625 -18.9596 -18.9596 -11.0052 -11.0052 -11.0052 -11.0052 -3.5079 -3.5079 -3.5065 -3.5065 -2.9036 -2.9036 -2.8959 -2.8959 -2.1237 -2.1237 -2.1142 -2.1142 2.5587 2.5587 2.5624 2.5624 2.8045 2.8045 2.8111 2.8111 9.7601 9.7601 9.7685 9.7685 11.5148 11.5148 k = 0.5000-0.0000 0.1880 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4872 -20.4872 -20.4864 -20.4864 -19.1790 -19.1790 -19.1693 -19.1693 -19.0233 -19.0233 -19.0112 -19.0112 -18.9649 -18.9649 -18.9616 -18.9616 -11.0033 -11.0033 -11.0032 -11.0032 -3.5187 -3.5187 -3.5174 -3.5174 -2.8879 -2.8879 -2.8803 -2.8803 -2.1278 -2.1278 -2.1184 -2.1184 2.5610 2.5610 2.5646 2.5646 2.7997 2.7997 2.8062 2.8062 9.7612 9.7612 9.7693 9.7693 11.4770 11.4770 k = 0.5000-0.0000 0.1776 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4854 -20.4854 -20.4847 -20.4847 -19.1793 -19.1793 -19.1700 -19.1700 -19.0233 -19.0233 -19.0111 -19.0111 -18.9673 -18.9673 -18.9637 -18.9637 -11.0012 -11.0012 -11.0011 -11.0011 -3.5296 -3.5296 -3.5283 -3.5283 -2.8719 -2.8719 -2.8644 -2.8644 -2.1321 -2.1321 -2.1229 -2.1229 2.5633 2.5633 2.5669 2.5669 2.7946 2.7946 2.8010 2.8010 9.7624 9.7624 9.7703 9.7703 11.4393 11.4393 k = 0.5000-0.0000 0.1671 ( 4970 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4836 -20.4836 -20.4828 -20.4828 -19.1797 -19.1797 -19.1707 -19.1707 -19.0232 -19.0232 -19.0111 -19.0111 -18.9698 -18.9698 -18.9660 -18.9660 -10.9991 -10.9991 -10.9990 -10.9990 -3.5403 -3.5403 -3.5391 -3.5391 -2.8557 -2.8557 -2.8484 -2.8484 -2.1367 -2.1367 -2.1277 -2.1277 2.5657 2.5657 2.5693 2.5693 2.7894 2.7894 2.7957 2.7957 9.7637 9.7637 9.7713 9.7713 11.4020 11.4020 k = 0.5000-0.0000 0.1567 ( 4980 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4817 -20.4817 -20.4810 -20.4810 -19.1802 -19.1802 -19.1715 -19.1715 -19.0231 -19.0231 -19.0110 -19.0110 -18.9724 -18.9724 -18.9683 -18.9683 -10.9969 -10.9969 -10.9968 -10.9968 -3.5509 -3.5509 -3.5496 -3.5496 -2.8394 -2.8394 -2.8323 -2.8323 -2.1415 -2.1415 -2.1328 -2.1328 2.5682 2.5682 2.5718 2.5718 2.7840 2.7840 2.7902 2.7902 9.7651 9.7651 9.7723 9.7723 11.3655 11.3655 k = 0.5000-0.0000 0.1462 ( 4972 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4797 -20.4797 -20.4791 -20.4791 -19.1805 -19.1805 -19.1722 -19.1722 -19.0230 -19.0230 -19.0110 -19.0110 -18.9749 -18.9749 -18.9704 -18.9704 -10.9947 -10.9947 -10.9946 -10.9946 -3.5611 -3.5611 -3.5599 -3.5599 -2.8232 -2.8232 -2.8163 -2.8163 -2.1464 -2.1464 -2.1380 -2.1380 2.5707 2.5707 2.5744 2.5744 2.7787 2.7787 2.7847 2.7847 9.7665 9.7665 9.7735 9.7735 11.3301 11.3301 k = 0.5000-0.0000 0.1358 ( 4972 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4778 -20.4778 -20.4772 -20.4772 -19.1809 -19.1809 -19.1730 -19.1730 -19.0229 -19.0229 -19.0109 -19.0109 -18.9774 -18.9774 -18.9727 -18.9727 -10.9925 -10.9925 -10.9925 -10.9925 -3.5708 -3.5708 -3.5697 -3.5697 -2.8073 -2.8073 -2.8006 -2.8006 -2.1516 -2.1516 -2.1434 -2.1434 2.5733 2.5733 2.5769 2.5769 2.7733 2.7733 2.7791 2.7791 9.7680 9.7680 9.7746 9.7746 11.2960 11.2960 k = 0.5000-0.0000 0.1253 ( 4964 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4759 -20.4759 -20.4753 -20.4753 -19.1813 -19.1813 -19.1738 -19.1738 -19.0226 -19.0226 -19.0108 -19.0108 -18.9799 -18.9799 -18.9749 -18.9749 -10.9904 -10.9904 -10.9903 -10.9903 -3.5801 -3.5801 -3.5791 -3.5791 -2.7917 -2.7917 -2.7853 -2.7853 -2.1568 -2.1568 -2.1489 -2.1489 2.5759 2.5759 2.5794 2.5794 2.7681 2.7681 2.7737 2.7737 9.7696 9.7696 9.7757 9.7757 11.2635 11.2635 k = 0.5000-0.0000 0.1149 ( 4972 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4741 -20.4741 -20.4736 -20.4736 -19.1816 -19.1816 -19.1747 -19.1747 -19.0224 -19.0224 -19.0108 -19.0108 -18.9823 -18.9823 -18.9770 -18.9770 -10.9883 -10.9883 -10.9882 -10.9882 -3.5889 -3.5889 -3.5879 -3.5879 -2.7767 -2.7767 -2.7705 -2.7705 -2.1620 -2.1620 -2.1546 -2.1546 2.5784 2.5784 2.5818 2.5818 2.7629 2.7629 2.7683 2.7683 9.7712 9.7712 9.7769 9.7769 11.2328 11.2328 k = 0.5000-0.0000 0.1045 ( 4968 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4723 -20.4723 -20.4718 -20.4718 -19.1819 -19.1819 -19.1755 -19.1755 -19.0222 -19.0222 -19.0109 -19.0109 -18.9845 -18.9845 -18.9791 -18.9791 -10.9863 -10.9863 -10.9863 -10.9863 -3.5971 -3.5971 -3.5962 -3.5962 -2.7623 -2.7623 -2.7564 -2.7564 -2.1672 -2.1672 -2.1601 -2.1601 2.5809 2.5809 2.5842 2.5842 2.7580 2.7580 2.7631 2.7631 9.7727 9.7727 9.7780 9.7780 11.2042 11.2042 k = 0.5000-0.0000 0.0940 ( 4980 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4707 -20.4707 -20.4702 -20.4702 -19.1823 -19.1823 -19.1764 -19.1764 -19.0219 -19.0219 -19.0110 -19.0110 -18.9866 -18.9866 -18.9811 -18.9811 -10.9844 -10.9844 -10.9844 -10.9844 -3.6046 -3.6046 -3.6038 -3.6038 -2.7486 -2.7486 -2.7432 -2.7432 -2.1722 -2.1722 -2.1657 -2.1657 2.5833 2.5833 2.5865 2.5865 2.7534 2.7534 2.7582 2.7582 9.7743 9.7743 9.7791 9.7791 11.1777 11.1777 k = 0.5000-0.0000 0.0836 ( 4984 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4691 -20.4691 -20.4687 -20.4687 -19.1825 -19.1825 -19.1772 -19.1772 -19.0215 -19.0215 -19.0112 -19.0112 -18.9885 -18.9885 -18.9830 -18.9830 -10.9827 -10.9827 -10.9827 -10.9827 -3.6115 -3.6115 -3.6107 -3.6107 -2.7359 -2.7359 -2.7309 -2.7309 -2.1771 -2.1771 -2.1710 -2.1710 2.5855 2.5855 2.5886 2.5886 2.7491 2.7491 2.7535 2.7535 9.7758 9.7758 9.7801 9.7801 11.1536 11.1536 k = 0.5000-0.0000 0.0731 ( 4984 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4677 -20.4677 -20.4673 -20.4673 -19.1827 -19.1827 -19.1780 -19.1780 -19.0211 -19.0211 -19.0114 -19.0114 -18.9902 -18.9902 -18.9848 -18.9848 -10.9811 -10.9811 -10.9811 -10.9811 -3.6176 -3.6176 -3.6169 -3.6169 -2.7242 -2.7242 -2.7196 -2.7196 -2.1816 -2.1816 -2.1761 -2.1761 2.5877 2.5877 2.5904 2.5904 2.7451 2.7451 2.7492 2.7492 9.7772 9.7772 9.7811 9.7811 11.1320 11.1327 k = 0.5000-0.0000 0.0627 ( 4972 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4664 -20.4664 -20.4660 -20.4660 -19.1828 -19.1828 -19.1787 -19.1787 -19.0205 -19.0205 -19.0118 -19.0118 -18.9915 -18.9915 -18.9864 -18.9864 -10.9797 -10.9797 -10.9797 -10.9797 -3.6229 -3.6229 -3.6223 -3.6223 -2.7136 -2.7136 -2.7095 -2.7095 -2.1856 -2.1856 -2.1808 -2.1808 2.5897 2.5897 2.5922 2.5922 2.7417 2.7417 2.7453 2.7453 9.7786 9.7786 9.7819 9.7819 11.1130 11.1130 k = 0.5000-0.0000 0.0522 ( 4960 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4652 -20.4652 -20.4650 -20.4650 -19.1828 -19.1828 -19.1794 -19.1794 -19.0199 -19.0199 -19.0122 -19.0122 -18.9925 -18.9925 -18.9879 -18.9879 -10.9785 -10.9785 -10.9784 -10.9784 -3.6275 -3.6275 -3.6270 -3.6270 -2.7043 -2.7043 -2.7008 -2.7008 -2.1892 -2.1892 -2.1852 -2.1852 2.5915 2.5915 2.5936 2.5936 2.7387 2.7387 2.7418 2.7418 9.7798 9.7798 9.7826 9.7826 11.0967 11.0967 k = 0.5000-0.0000 0.0418 ( 4964 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4643 -20.4643 -20.4641 -20.4641 -19.1829 -19.1829 -19.1801 -19.1801 -19.0193 -19.0193 -19.0129 -19.0129 -18.9932 -18.9932 -18.9893 -18.9893 -10.9774 -10.9774 -10.9774 -10.9774 -3.6312 -3.6312 -3.6308 -3.6308 -2.6965 -2.6965 -2.6936 -2.6936 -2.1923 -2.1923 -2.1889 -2.1889 2.5930 2.5930 2.5948 2.5948 2.7363 2.7363 2.7388 2.7388 9.7809 9.7809 9.7832 9.7832 11.0833 11.0833 k = 0.5000-0.0000 0.0313 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4635 -20.4635 -20.4634 -20.4634 -19.1828 -19.1828 -19.1807 -19.1807 -19.0186 -19.0186 -19.0136 -19.0136 -18.9936 -18.9936 -18.9905 -18.9905 -10.9766 -10.9766 -10.9766 -10.9766 -3.6341 -3.6341 -3.6338 -3.6338 -2.6901 -2.6901 -2.6880 -2.6880 -2.1946 -2.1946 -2.1920 -2.1920 2.5943 2.5943 2.5957 2.5957 2.7344 2.7344 2.7364 2.7364 9.7819 9.7819 9.7836 9.7836 11.0728 11.0728 k = 0.5000-0.0000 0.0209 ( 4956 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4630 -20.4630 -20.4629 -20.4629 -19.1826 -19.1826 -19.1812 -19.1812 -19.0178 -19.0178 -19.0144 -19.0144 -18.9937 -18.9937 -18.9915 -18.9915 -10.9760 -10.9760 -10.9760 -10.9760 -3.6362 -3.6362 -3.6360 -3.6360 -2.6854 -2.6854 -2.6840 -2.6840 -2.1962 -2.1962 -2.1945 -2.1945 2.5953 2.5953 2.5963 2.5963 2.7331 2.7331 2.7345 2.7345 9.7827 9.7827 9.7838 9.7838 11.0653 11.0654 k = 0.5000-0.0000 0.0104 ( 4952 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4626 -20.4626 -20.4626 -20.4626 -19.1824 -19.1824 -19.1817 -19.1817 -19.0170 -19.0170 -19.0152 -19.0152 -18.9935 -18.9935 -18.9924 -18.9924 -10.9757 -10.9757 -10.9757 -10.9757 -3.6375 -3.6375 -3.6374 -3.6374 -2.6824 -2.6824 -2.6817 -2.6817 -2.1970 -2.1970 -2.1961 -2.1961 2.5961 2.5961 2.5965 2.5965 2.7325 2.7325 2.7332 2.7332 9.7832 9.7832 9.7838 9.7838 11.0607 11.0608 k = 0.5000-0.0000-0.0000 ( 4936 PWs) bands (ev): -47.1308 -47.1308 -47.1308 -47.1308 -20.4625 -20.4625 -20.4625 -20.4625 -19.1820 -19.1820 -19.1820 -19.1820 -19.0161 -19.0161 -19.0161 -19.0161 -18.9930 -18.9930 -18.9930 -18.9930 -10.9755 -10.9755 -10.9755 -10.9755 -3.6378 -3.6378 -3.6378 -3.6378 -2.6811 -2.6811 -2.6811 -2.6811 -2.1970 -2.1970 -2.1970 -2.1970 2.5965 2.5965 2.5965 2.5965 2.7326 2.7326 2.7326 2.7326 9.7836 9.7836 9.7836 9.7836 11.0592 11.0592 k = 0.5000 0.3869-0.0000 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3858 -20.3858 -20.3858 -20.3858 -19.2281 -19.2281 -19.2131 -19.2131 -19.0643 -19.0643 -19.0464 -19.0464 -19.0159 -19.0159 -19.0138 -19.0138 -10.9925 -10.9925 -10.9908 -10.9908 -3.3856 -3.3856 -3.3855 -3.3855 -2.8450 -2.8450 -2.8359 -2.8359 -2.2215 -2.2215 -2.2094 -2.2094 2.2904 2.2904 2.3002 2.3002 3.0955 3.0955 3.1067 3.1067 9.6363 9.6363 9.6455 9.6455 12.8517 12.8545 k = 0.5000 0.3869 0.0104 ( 4964 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3860 -20.3860 -20.3859 -20.3859 -19.2281 -19.2281 -19.2130 -19.2130 -19.0642 -19.0642 -19.0464 -19.0464 -19.0158 -19.0158 -19.0138 -19.0138 -10.9926 -10.9926 -10.9909 -10.9909 -3.3857 -3.3857 -3.3857 -3.3857 -2.8445 -2.8445 -2.8354 -2.8354 -2.2219 -2.2219 -2.2099 -2.2099 2.2909 2.2909 2.3006 2.3006 3.0956 3.0956 3.1068 3.1068 9.6354 9.6354 9.6445 9.6445 12.8492 12.8510 k = 0.5000 0.3869 0.0209 ( 4956 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3863 -20.3863 -20.3863 -20.3863 -19.2278 -19.2278 -19.2129 -19.2129 -19.0639 -19.0639 -19.0463 -19.0463 -19.0155 -19.0155 -19.0135 -19.0135 -10.9929 -10.9929 -10.9912 -10.9912 -3.3863 -3.3863 -3.3863 -3.3863 -2.8429 -2.8429 -2.8338 -2.8338 -2.2233 -2.2233 -2.2113 -2.2113 2.2925 2.2925 2.3021 2.3021 3.0957 3.0957 3.1069 3.1069 9.6326 9.6326 9.6416 9.6416 12.8422 12.8427 k = 0.5000 0.3869 0.0313 ( 4956 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3869 -20.3869 -20.3869 -20.3869 -19.2275 -19.2275 -19.2128 -19.2128 -19.0636 -19.0636 -19.0463 -19.0463 -19.0150 -19.0150 -19.0132 -19.0132 -10.9934 -10.9934 -10.9917 -10.9917 -3.3873 -3.3873 -3.3872 -3.3872 -2.8403 -2.8403 -2.8313 -2.8313 -2.2256 -2.2256 -2.2136 -2.2136 2.2950 2.2950 2.3046 2.3046 3.0960 3.0960 3.1071 3.1071 9.6279 9.6279 9.6368 9.6368 12.8285 12.8306 k = 0.5000 0.3869 0.0418 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3877 -20.3877 -20.3877 -20.3877 -19.2271 -19.2271 -19.2125 -19.2125 -19.0630 -19.0630 -19.0462 -19.0462 -19.0143 -19.0143 -19.0128 -19.0128 -10.9941 -10.9941 -10.9925 -10.9925 -3.3886 -3.3886 -3.3885 -3.3885 -2.8368 -2.8368 -2.8277 -2.8277 -2.2289 -2.2289 -2.2169 -2.2169 2.2984 2.2984 2.3080 2.3080 3.0963 3.0963 3.1074 3.1074 9.6214 9.6214 9.6302 9.6302 12.8125 12.8142 k = 0.5000 0.3869 0.0522 ( 4940 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3887 -20.3887 -20.3887 -20.3887 -19.2265 -19.2265 -19.2122 -19.2122 -19.0623 -19.0623 -19.0461 -19.0461 -19.0135 -19.0135 -19.0122 -19.0122 -10.9950 -10.9950 -10.9934 -10.9934 -3.3902 -3.3902 -3.3900 -3.3900 -2.8323 -2.8323 -2.8233 -2.8233 -2.2330 -2.2330 -2.2210 -2.2210 2.3028 2.3028 2.3123 2.3123 3.0968 3.0968 3.1077 3.1077 9.6132 9.6132 9.6219 9.6219 12.7930 12.7946 k = 0.5000 0.3869 0.0627 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3899 -20.3899 -20.3899 -20.3899 -19.2259 -19.2259 -19.2119 -19.2119 -19.0616 -19.0616 -19.0460 -19.0460 -19.0125 -19.0125 -19.0116 -19.0116 -10.9961 -10.9961 -10.9945 -10.9945 -3.3920 -3.3920 -3.3919 -3.3919 -2.8269 -2.8269 -2.8180 -2.8180 -2.2379 -2.2379 -2.2261 -2.2261 2.3080 2.3080 2.3174 2.3174 3.0973 3.0973 3.1081 3.1081 9.6034 9.6034 9.6119 9.6119 12.7716 12.7727 k = 0.5000 0.3869 0.0731 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3913 -20.3913 -20.3913 -20.3913 -19.2252 -19.2252 -19.2116 -19.2116 -19.0608 -19.0608 -19.0459 -19.0459 -19.0113 -19.0113 -19.0107 -19.0107 -10.9974 -10.9974 -10.9958 -10.9958 -3.3941 -3.3941 -3.3939 -3.3939 -2.8208 -2.8208 -2.8119 -2.8119 -2.2437 -2.2437 -2.2319 -2.2319 2.3141 2.3141 2.3233 2.3233 3.0979 3.0979 3.1085 3.1085 9.5923 9.5923 9.6005 9.6005 12.7486 12.7491 k = 0.5000 0.3869 0.0836 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3929 -20.3929 -20.3929 -20.3929 -19.2244 -19.2244 -19.2112 -19.2112 -19.0598 -19.0598 -19.0458 -19.0458 -19.0099 -19.0099 -19.0098 -19.0098 -10.9988 -10.9988 -10.9973 -10.9973 -3.3964 -3.3964 -3.3962 -3.3962 -2.8139 -2.8139 -2.8051 -2.8051 -2.2501 -2.2501 -2.2384 -2.2384 2.3208 2.3208 2.3300 2.3300 3.0986 3.0986 3.1090 3.1090 9.5798 9.5798 9.5878 9.5878 12.7244 12.7251 k = 0.5000 0.3869 0.0940 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3946 -20.3946 -20.3946 -20.3946 -19.2235 -19.2235 -19.2108 -19.2108 -19.0588 -19.0588 -19.0457 -19.0457 -19.0087 -19.0087 -19.0084 -19.0084 -11.0004 -11.0004 -10.9989 -10.9989 -3.3988 -3.3988 -3.3986 -3.3986 -2.8064 -2.8064 -2.7977 -2.7977 -2.2572 -2.2572 -2.2457 -2.2457 2.3283 2.3283 2.3372 2.3372 3.0993 3.0993 3.1096 3.1096 9.5662 9.5662 9.5740 9.5740 12.6996 12.7003 k = 0.5000 0.3869 0.1045 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3964 -20.3964 -20.3964 -20.3964 -19.2226 -19.2226 -19.2104 -19.2104 -19.0579 -19.0579 -19.0456 -19.0456 -19.0075 -19.0075 -19.0069 -19.0069 -11.0020 -11.0020 -11.0006 -11.0006 -3.4014 -3.4014 -3.4011 -3.4011 -2.7983 -2.7983 -2.7897 -2.7897 -2.2650 -2.2650 -2.2536 -2.2536 2.3363 2.3363 2.3450 2.3450 3.1001 3.1001 3.1101 3.1101 9.5517 9.5517 9.5591 9.5591 12.6748 12.6751 k = 0.5000 0.3869 0.1149 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.3984 -20.3984 -20.3984 -20.3984 -19.2216 -19.2216 -19.2099 -19.2099 -19.0569 -19.0569 -19.0456 -19.0456 -19.0062 -19.0062 -19.0051 -19.0051 -11.0038 -11.0038 -11.0024 -11.0024 -3.4040 -3.4040 -3.4036 -3.4036 -2.7898 -2.7898 -2.7812 -2.7812 -2.2733 -2.2733 -2.2620 -2.2620 2.3448 2.3448 2.3533 2.3533 3.1009 3.1009 3.1107 3.1107 9.5364 9.5364 9.5436 9.5436 12.6501 12.6504 k = 0.5000 0.3869 0.1253 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4004 -20.4004 -20.4004 -20.4004 -19.2206 -19.2206 -19.2095 -19.2095 -19.0558 -19.0558 -19.0455 -19.0455 -19.0047 -19.0047 -19.0033 -19.0033 -11.0057 -11.0057 -11.0043 -11.0043 -3.4065 -3.4065 -3.4061 -3.4061 -2.7808 -2.7808 -2.7724 -2.7724 -2.2820 -2.2820 -2.2709 -2.2709 2.3537 2.3537 2.3620 2.3620 3.1018 3.1018 3.1113 3.1113 9.5206 9.5206 9.5274 9.5274 12.6258 12.6258 k = 0.5000 0.3869 0.1358 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4025 -20.4025 -20.4024 -20.4024 -19.2196 -19.2196 -19.2090 -19.2090 -19.0548 -19.0548 -19.0454 -19.0454 -19.0030 -19.0030 -19.0013 -19.0013 -11.0076 -11.0076 -11.0063 -11.0063 -3.4091 -3.4091 -3.4086 -3.4086 -2.7715 -2.7715 -2.7632 -2.7632 -2.2911 -2.2911 -2.2802 -2.2802 2.3628 2.3628 2.3709 2.3709 3.1027 3.1027 3.1119 3.1119 9.5044 9.5044 9.5109 9.5109 12.6018 12.6021 k = 0.5000 0.3869 0.1462 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4046 -20.4046 -20.4045 -20.4045 -19.2186 -19.2186 -19.2086 -19.2086 -19.0539 -19.0539 -19.0453 -19.0453 -19.0014 -19.0014 -18.9994 -18.9994 -11.0095 -11.0095 -11.0083 -11.0083 -3.4115 -3.4115 -3.4111 -3.4111 -2.7620 -2.7620 -2.7539 -2.7539 -2.3006 -2.3006 -2.2899 -2.2899 2.3722 2.3722 2.3799 2.3799 3.1036 3.1036 3.1124 3.1124 9.4881 9.4881 9.4942 9.4942 12.5788 12.5789 k = 0.5000 0.3869 0.1567 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4066 -20.4066 -20.4066 -20.4066 -19.2176 -19.2176 -19.2082 -19.2082 -19.0530 -19.0530 -19.0453 -19.0453 -18.9996 -18.9996 -18.9974 -18.9974 -11.0114 -11.0114 -11.0103 -11.0103 -3.4139 -3.4139 -3.4135 -3.4135 -2.7524 -2.7524 -2.7444 -2.7444 -2.3102 -2.3102 -2.2997 -2.2997 2.3816 2.3816 2.3890 2.3890 3.1046 3.1046 3.1130 3.1130 9.4718 9.4718 9.4776 9.4776 12.5566 12.5568 k = 0.5000 0.3869 0.1671 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4087 -20.4087 -20.4087 -20.4087 -19.2165 -19.2165 -19.2078 -19.2078 -19.0521 -19.0521 -19.0453 -19.0453 -18.9977 -18.9977 -18.9954 -18.9954 -11.0134 -11.0134 -11.0123 -11.0123 -3.4161 -3.4161 -3.4157 -3.4157 -2.7427 -2.7427 -2.7348 -2.7348 -2.3199 -2.3199 -2.3097 -2.3097 2.3910 2.3910 2.3980 2.3980 3.1055 3.1055 3.1135 3.1135 9.4557 9.4557 9.4611 9.4611 12.5356 12.5356 k = 0.5000 0.3869 0.1776 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4107 -20.4107 -20.4107 -20.4107 -19.2155 -19.2155 -19.2075 -19.2075 -19.0514 -19.0514 -19.0453 -19.0453 -18.9958 -18.9958 -18.9935 -18.9935 -11.0153 -11.0153 -11.0142 -11.0142 -3.4183 -3.4183 -3.4178 -3.4178 -2.7330 -2.7330 -2.7254 -2.7254 -2.3297 -2.3297 -2.3198 -2.3198 2.4002 2.4002 2.4069 2.4069 3.1064 3.1064 3.1140 3.1140 9.4400 9.4400 9.4451 9.4451 12.5156 12.5157 k = 0.5000 0.3869 0.1880 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4127 -20.4127 -20.4127 -20.4127 -19.2146 -19.2146 -19.2072 -19.2072 -19.0507 -19.0507 -19.0453 -19.0453 -18.9940 -18.9940 -18.9916 -18.9916 -11.0171 -11.0171 -11.0161 -11.0161 -3.4202 -3.4202 -3.4198 -3.4198 -2.7235 -2.7235 -2.7161 -2.7161 -2.3393 -2.3393 -2.3299 -2.3299 2.4092 2.4092 2.4155 2.4155 3.1073 3.1073 3.1144 3.1144 9.4249 9.4249 9.4296 9.4296 12.4970 12.4970 k = 0.5000 0.3869 0.1985 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4146 -20.4146 -20.4146 -20.4146 -19.2137 -19.2137 -19.2070 -19.2070 -19.0500 -19.0500 -19.0453 -19.0453 -18.9921 -18.9921 -18.9897 -18.9897 -11.0188 -11.0188 -11.0180 -11.0180 -3.4220 -3.4220 -3.4216 -3.4216 -2.7141 -2.7141 -2.7070 -2.7070 -2.3488 -2.3488 -2.3397 -2.3397 2.4179 2.4179 2.4237 2.4237 3.1082 3.1082 3.1148 3.1148 9.4106 9.4106 9.4148 9.4148 12.4797 12.4797 k = 0.5000 0.3869 0.2089 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4163 -20.4163 -20.4163 -20.4163 -19.2128 -19.2128 -19.2068 -19.2068 -19.0494 -19.0494 -19.0453 -19.0453 -18.9903 -18.9903 -18.9880 -18.9880 -11.0205 -11.0205 -11.0197 -11.0197 -3.4236 -3.4236 -3.4232 -3.4232 -2.7051 -2.7051 -2.6983 -2.6983 -2.3579 -2.3579 -2.3493 -2.3493 2.4260 2.4260 2.4314 2.4314 3.1091 3.1091 3.1151 3.1151 9.3972 9.3972 9.4010 9.4010 12.4639 12.4639 k = 0.5000 0.3869 0.2194 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4180 -20.4180 -20.4179 -20.4179 -19.2120 -19.2120 -19.2066 -19.2066 -19.0489 -19.0489 -19.0454 -19.0454 -18.9886 -18.9886 -18.9864 -18.9864 -11.0220 -11.0220 -11.0213 -11.0213 -3.4251 -3.4251 -3.4247 -3.4247 -2.6965 -2.6965 -2.6901 -2.6901 -2.3665 -2.3665 -2.3586 -2.3586 2.4337 2.4337 2.4385 2.4385 3.1099 3.1099 3.1153 3.1153 9.3847 9.3847 9.3881 9.3881 12.4495 12.4495 k = 0.5000 0.3869 0.2298 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4195 -20.4195 -20.4194 -20.4194 -19.2112 -19.2112 -19.2065 -19.2065 -19.0485 -19.0485 -19.0454 -19.0454 -18.9869 -18.9869 -18.9850 -18.9850 -11.0234 -11.0234 -11.0228 -11.0228 -3.4263 -3.4263 -3.4260 -3.4260 -2.6883 -2.6883 -2.6824 -2.6824 -2.3746 -2.3746 -2.3673 -2.3673 2.4407 2.4407 2.4450 2.4450 3.1107 3.1107 3.1155 3.1155 9.3735 9.3735 9.3765 9.3765 12.4367 12.4367 k = 0.5000 0.3869 0.2402 ( 4952 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4208 -20.4208 -20.4208 -20.4208 -19.2105 -19.2105 -19.2065 -19.2065 -19.0480 -19.0480 -19.0455 -19.0455 -18.9855 -18.9855 -18.9837 -18.9837 -11.0247 -11.0247 -11.0241 -11.0241 -3.4274 -3.4274 -3.4271 -3.4271 -2.6808 -2.6808 -2.6755 -2.6755 -2.3820 -2.3820 -2.3754 -2.3754 2.4470 2.4470 2.4507 2.4507 3.1115 3.1115 3.1157 3.1157 9.3635 9.3635 9.3661 9.3661 12.4255 12.4255 k = 0.5000 0.3869 0.2507 ( 4944 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4219 -20.4219 -20.4219 -20.4219 -19.2098 -19.2098 -19.2065 -19.2065 -19.0476 -19.0476 -19.0456 -19.0456 -18.9841 -18.9841 -18.9826 -18.9826 -11.0257 -11.0257 -11.0253 -11.0253 -3.4283 -3.4283 -3.4281 -3.4281 -2.6740 -2.6740 -2.6693 -2.6693 -2.3884 -2.3884 -2.3827 -2.3827 2.4525 2.4525 2.4556 2.4556 3.1122 3.1122 3.1157 3.1157 9.3550 9.3550 9.3571 9.3571 12.4160 12.4160 k = 0.5000 0.3869 0.2611 ( 4940 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4229 -20.4229 -20.4228 -20.4228 -19.2092 -19.2092 -19.2065 -19.2065 -19.0473 -19.0473 -19.0457 -19.0457 -18.9829 -18.9829 -18.9817 -18.9817 -11.0266 -11.0266 -11.0263 -11.0263 -3.4290 -3.4290 -3.4288 -3.4288 -2.6681 -2.6681 -2.6642 -2.6642 -2.3938 -2.3938 -2.3891 -2.3891 2.4572 2.4572 2.4597 2.4597 3.1128 3.1128 3.1157 3.1157 9.3479 9.3479 9.3496 9.3496 12.4082 12.4082 k = 0.5000 0.3869 0.2716 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4236 -20.4236 -20.4236 -20.4236 -19.2086 -19.2086 -19.2066 -19.2066 -19.0470 -19.0470 -19.0458 -19.0458 -18.9820 -18.9820 -18.9811 -18.9811 -11.0273 -11.0273 -11.0270 -11.0270 -3.4296 -3.4296 -3.4294 -3.4294 -2.6632 -2.6632 -2.6601 -2.6601 -2.3981 -2.3981 -2.3944 -2.3944 2.4609 2.4609 2.4628 2.4628 3.1134 3.1134 3.1156 3.1156 9.3423 9.3423 9.3436 9.3436 12.4020 12.4020 k = 0.5000 0.3869 0.2820 ( 4948 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4241 -20.4241 -20.4241 -20.4241 -19.2081 -19.2081 -19.2068 -19.2068 -19.0467 -19.0467 -19.0459 -19.0459 -18.9813 -18.9813 -18.9807 -18.9807 -11.0278 -11.0278 -11.0276 -11.0276 -3.4300 -3.4300 -3.4299 -3.4299 -2.6594 -2.6594 -2.6573 -2.6573 -2.4011 -2.4011 -2.3986 -2.3986 2.4637 2.4637 2.4650 2.4650 3.1139 3.1139 3.1154 3.1154 9.3384 9.3384 9.3393 9.3393 12.3976 12.3976 k = 0.5000 0.3869 0.2925 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4245 -20.4245 -20.4245 -20.4245 -19.2078 -19.2078 -19.2071 -19.2071 -19.0465 -19.0465 -19.0461 -19.0461 -18.9808 -18.9808 -18.9805 -18.9805 -11.0281 -11.0281 -11.0280 -11.0280 -3.4302 -3.4302 -3.4302 -3.4302 -2.6569 -2.6569 -2.6558 -2.6558 -2.4026 -2.4026 -2.4014 -2.4014 2.4655 2.4655 2.4662 2.4662 3.1144 3.1144 3.1151 3.1151 9.3361 9.3361 9.3365 9.3365 12.3950 12.3950 k = 0.5000 0.3869 0.3029 ( 4960 PWs) bands (ev): -47.1307 -47.1307 -47.1307 -47.1307 -20.4246 -20.4246 -20.4246 -20.4246 -19.2074 -19.2074 -19.2074 -19.2074 -19.0463 -19.0463 -19.0463 -19.0463 -18.9806 -18.9806 -18.9806 -18.9806 -11.0281 -11.0281 -11.0281 -11.0281 -3.4303 -3.4303 -3.4303 -3.4303 -2.6557 -2.6557 -2.6557 -2.6557 -2.4027 -2.4027 -2.4027 -2.4027 2.4664 2.4664 2.4664 2.4664 3.1148 3.1148 3.1148 3.1148 9.3355 9.3355 9.3355 9.3355 12.3941 12.3941 Writing output data file NaO2.save init_run : 0.08s CPU 0.22s WALL ( 1 calls) electrons : 204.22s CPU 207.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 204.20s CPU 207.79s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.06s WALL ( 468 calls) cegterg : 191.91s CPU 194.57s WALL ( 692 calls) Called by sum_band: Called by *egterg: h_psi : 97.95s CPU 99.80s WALL ( 11499 calls) s_psi : 2.80s CPU 2.75s WALL ( 11499 calls) g_psi : 0.38s CPU 0.40s WALL ( 10339 calls) cdiaghg : 76.14s CPU 77.22s WALL ( 10807 calls) cegterg:over : 8.81s CPU 8.86s WALL ( 10339 calls) cegterg:upda : 8.23s CPU 8.30s WALL ( 10339 calls) cegterg:last : 3.97s CPU 4.02s WALL ( 1628 calls) cdiaghg:chol : 4.27s CPU 4.28s WALL ( 10807 calls) cdiaghg:inve : 2.66s CPU 2.92s WALL ( 10807 calls) cdiaghg:para : 4.46s CPU 4.42s WALL ( 21614 calls) Called by h_psi: h_psi:vloc : 89.63s CPU 91.29s WALL ( 11499 calls) h_psi:vnl : 7.94s CPU 8.12s WALL ( 11499 calls) add_vuspsi : 3.05s CPU 3.18s WALL ( 11499 calls) General routines calbec : 4.85s CPU 4.91s WALL ( 11499 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 84.68s CPU 86.12s WALL ( 1053608 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.41s WALL ( 936 calls) Parallel routines fft_scatter : 31.34s CPU 31.71s WALL ( 1053631 calls) PWSCF : 3m47.00s CPU 4m15.57s WALL This run was terminated on: 20:59:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=