Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:10:19 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: ./AgTe4Au.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 132 57 16 9203 2616 396 Max 133 58 17 9211 2654 400 Sum 4775 2085 589 331433 94831 14321 bravais-lattice index = 14 lattice parameter (alat) = 8.4622 a.u. unit-cell volume = 2248.1678 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 92.00 number of Kohn-Sham states= 110 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.462193 celldm(2)= 1.979367 celldm(3)= 2.272845 celldm(4)= 0.565605 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 1.979367 0.000000 ) a(3) = ( 0.000000 1.285532 1.874362 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.505212 -0.346500 ) b(3) = ( 0.000000 0.000000 0.533515 ) PseudoPot. # 1 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ag 11.00 107.86820 Ag( 1.00) Te 6.00 127.60000 Te( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6427658 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9371812 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6427658 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9371812 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 227 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0000000 0.0000000 0.0140399), wk = 0.0044053 k( 3) = ( 0.0000000 0.0000000 0.0280797), wk = 0.0044053 k( 4) = ( 0.0000000 0.0000000 0.0421196), wk = 0.0044053 k( 5) = ( 0.0000000 0.0000000 0.0561594), wk = 0.0044053 k( 6) = ( 0.0000000 0.0000000 0.0701993), wk = 0.0044053 k( 7) = ( 0.0000000 0.0000000 0.0842392), wk = 0.0044053 k( 8) = ( 0.0000000 0.0000000 0.0982790), wk = 0.0044053 k( 9) = ( 0.0000000 0.0000000 0.1123189), wk = 0.0044053 k( 10) = ( 0.0000000 0.0000000 0.1263588), wk = 0.0044053 k( 11) = ( 0.0000000 0.0000000 0.1403986), wk = 0.0044053 k( 12) = ( 0.0000000 0.0000000 0.1544385), wk = 0.0044053 k( 13) = ( 0.0000000 0.0000000 0.1684783), wk = 0.0044053 k( 14) = ( 0.0000000 0.0000000 0.1825182), wk = 0.0044053 k( 15) = ( 0.0000000 0.0000000 0.1965581), wk = 0.0044053 k( 16) = ( 0.0000000 0.0000000 0.2105979), wk = 0.0044053 k( 17) = ( 0.0000000 0.0000000 0.2246378), wk = 0.0044053 k( 18) = ( 0.0000000 0.0000000 0.2386777), wk = 0.0044053 k( 19) = ( 0.0000000 0.0000000 0.2527175), wk = 0.0044053 k( 20) = ( 0.0000000 0.0000000 0.2667574), wk = 0.0044053 k( 21) = ( 0.0000000 0.0000000 0.2667574), wk = 0.0044053 k( 22) = ( 0.0000000 0.0134624 0.2667574), wk = 0.0044053 k( 23) = ( 0.0000000 0.0269248 0.2667574), wk = 0.0044053 k( 24) = ( 0.0000000 0.0403872 0.2667574), wk = 0.0044053 k( 25) = ( 0.0000000 0.0538497 0.2667574), wk = 0.0044053 k( 26) = ( 0.0000000 0.0673121 0.2667574), wk = 0.0044053 k( 27) = ( 0.0000000 0.0807745 0.2667574), wk = 0.0044053 k( 28) = ( 0.0000000 0.0942369 0.2667574), wk = 0.0044053 k( 29) = ( 0.0000000 0.1076993 0.2667574), wk = 0.0044053 k( 30) = ( 0.0000000 0.1211617 0.2667574), wk = 0.0044053 k( 31) = ( 0.0000000 0.1346242 0.2667574), wk = 0.0044053 k( 32) = ( 0.0000000 0.1480866 0.2667574), wk = 0.0044053 k( 33) = ( 0.0000000 0.1615490 0.2667574), wk = 0.0044053 k( 34) = ( 0.0000000 0.1750114 0.2667574), wk = 0.0044053 k( 35) = ( 0.0000000 0.1884738 0.2667574), wk = 0.0044053 k( 36) = ( 0.0000000 0.1884738 0.2667574), wk = 0.0044053 k( 37) = ( 0.0000000 0.1934071 0.2534305), wk = 0.0044053 k( 38) = ( 0.0000000 0.1983403 0.2401036), wk = 0.0044053 k( 39) = ( 0.0000000 0.2032735 0.2267766), wk = 0.0044053 k( 40) = ( 0.0000000 0.2082068 0.2134497), wk = 0.0044053 k( 41) = ( 0.0000000 0.2131400 0.2001228), wk = 0.0044053 k( 42) = ( 0.0000000 0.2180733 0.1867959), wk = 0.0044053 k( 43) = ( 0.0000000 0.2230065 0.1734690), wk = 0.0044053 k( 44) = ( 0.0000000 0.2279398 0.1601421), wk = 0.0044053 k( 45) = ( 0.0000000 0.2328730 0.1468152), wk = 0.0044053 k( 46) = ( 0.0000000 0.2378062 0.1334883), wk = 0.0044053 k( 47) = ( 0.0000000 0.2427395 0.1201614), wk = 0.0044053 k( 48) = ( 0.0000000 0.2476727 0.1068345), wk = 0.0044053 k( 49) = ( 0.0000000 0.2526060 0.0935075), wk = 0.0044053 k( 50) = ( 0.0000000 0.2526060 0.0935075), wk = 0.0044053 k( 51) = ( 0.0138889 0.2526060 0.0935075), wk = 0.0044053 k( 52) = ( 0.0277778 0.2526060 0.0935075), wk = 0.0044053 k( 53) = ( 0.0416667 0.2526060 0.0935075), wk = 0.0044053 k( 54) = ( 0.0555556 0.2526060 0.0935075), wk = 0.0044053 k( 55) = ( 0.0694444 0.2526060 0.0935075), wk = 0.0044053 k( 56) = ( 0.0833333 0.2526060 0.0935075), wk = 0.0044053 k( 57) = ( 0.0972222 0.2526060 0.0935075), wk = 0.0044053 k( 58) = ( 0.1111111 0.2526060 0.0935075), wk = 0.0044053 k( 59) = ( 0.1250000 0.2526060 0.0935075), wk = 0.0044053 k( 60) = ( 0.1388889 0.2526060 0.0935075), wk = 0.0044053 k( 61) = ( 0.1527778 0.2526060 0.0935075), wk = 0.0044053 k( 62) = ( 0.1666667 0.2526060 0.0935075), wk = 0.0044053 k( 63) = ( 0.1805556 0.2526060 0.0935075), wk = 0.0044053 k( 64) = ( 0.1944444 0.2526060 0.0935075), wk = 0.0044053 k( 65) = ( 0.2083333 0.2526060 0.0935075), wk = 0.0044053 k( 66) = ( 0.2222222 0.2526060 0.0935075), wk = 0.0044053 k( 67) = ( 0.2361111 0.2526060 0.0935075), wk = 0.0044053 k( 68) = ( 0.2500000 0.2526060 0.0935075), wk = 0.0044053 k( 69) = ( 0.2638889 0.2526060 0.0935075), wk = 0.0044053 k( 70) = ( 0.2777778 0.2526060 0.0935075), wk = 0.0044053 k( 71) = ( 0.2916667 0.2526060 0.0935075), wk = 0.0044053 k( 72) = ( 0.3055556 0.2526060 0.0935075), wk = 0.0044053 k( 73) = ( 0.3194444 0.2526060 0.0935075), wk = 0.0044053 k( 74) = ( 0.3333333 0.2526060 0.0935075), wk = 0.0044053 k( 75) = ( 0.3472222 0.2526060 0.0935075), wk = 0.0044053 k( 76) = ( 0.3611111 0.2526060 0.0935075), wk = 0.0044053 k( 77) = ( 0.3750000 0.2526060 0.0935075), wk = 0.0044053 k( 78) = ( 0.3888889 0.2526060 0.0935075), wk = 0.0044053 k( 79) = ( 0.4027778 0.2526060 0.0935075), wk = 0.0044053 k( 80) = ( 0.4166667 0.2526060 0.0935075), wk = 0.0044053 k( 81) = ( 0.4305556 0.2526060 0.0935075), wk = 0.0044053 k( 82) = ( 0.4444444 0.2526060 0.0935075), wk = 0.0044053 k( 83) = ( 0.4583333 0.2526060 0.0935075), wk = 0.0044053 k( 84) = ( 0.4722222 0.2526060 0.0935075), wk = 0.0044053 k( 85) = ( 0.4861111 0.2526060 0.0935075), wk = 0.0044053 k( 86) = ( 0.5000000 0.2526060 0.0935075), wk = 0.0044053 k( 87) = ( 0.5000000 0.2526060 0.0935075), wk = 0.0044053 k( 88) = ( 0.5000000 0.2575392 0.0801806), wk = 0.0044053 k( 89) = ( 0.5000000 0.2624725 0.0668537), wk = 0.0044053 k( 90) = ( 0.5000000 0.2674057 0.0535268), wk = 0.0044053 k( 91) = ( 0.5000000 0.2723389 0.0401999), wk = 0.0044053 k( 92) = ( 0.5000000 0.2772722 0.0268730), wk = 0.0044053 k( 93) = ( 0.5000000 0.2822054 0.0135461), wk = 0.0044053 k( 94) = ( 0.5000000 0.2871387 0.0002192), wk = 0.0044053 k( 95) = ( 0.5000000 0.2920719 -0.0131077), wk = 0.0044053 k( 96) = ( 0.5000000 0.2970052 -0.0264347), wk = 0.0044053 k( 97) = ( 0.5000000 0.3019384 -0.0397616), wk = 0.0044053 k( 98) = ( 0.5000000 0.3068717 -0.0530885), wk = 0.0044053 k( 99) = ( 0.5000000 0.3118049 -0.0664154), wk = 0.0044053 k( 100) = ( 0.5000000 0.3167381 -0.0797423), wk = 0.0044053 k( 101) = ( 0.5000000 0.3167381 -0.0797423), wk = 0.0044053 k( 102) = ( 0.5000000 0.3087216 -0.0914307), wk = 0.0044053 k( 103) = ( 0.5000000 0.3007051 -0.1031192), wk = 0.0044053 k( 104) = ( 0.5000000 0.2926886 -0.1148076), wk = 0.0044053 k( 105) = ( 0.5000000 0.2846721 -0.1264961), wk = 0.0044053 k( 106) = ( 0.5000000 0.2766555 -0.1381845), wk = 0.0044053 k( 107) = ( 0.5000000 0.2686390 -0.1498729), wk = 0.0044053 k( 108) = ( 0.5000000 0.2606225 -0.1615614), wk = 0.0044053 k( 109) = ( 0.5000000 0.2526060 -0.1732498), wk = 0.0044053 k( 110) = ( 0.5000000 0.2526060 -0.1732498), wk = 0.0044053 k( 111) = ( 0.4861111 0.2526060 -0.1732498), wk = 0.0044053 k( 112) = ( 0.4722222 0.2526060 -0.1732498), wk = 0.0044053 k( 113) = ( 0.4583333 0.2526060 -0.1732498), wk = 0.0044053 k( 114) = ( 0.4444444 0.2526060 -0.1732498), wk = 0.0044053 k( 115) = ( 0.4305556 0.2526060 -0.1732498), wk = 0.0044053 k( 116) = ( 0.4166667 0.2526060 -0.1732498), wk = 0.0044053 k( 117) = ( 0.4027778 0.2526060 -0.1732498), wk = 0.0044053 k( 118) = ( 0.3888889 0.2526060 -0.1732498), wk = 0.0044053 k( 119) = ( 0.3750000 0.2526060 -0.1732498), wk = 0.0044053 k( 120) = ( 0.3611111 0.2526060 -0.1732498), wk = 0.0044053 k( 121) = ( 0.3472222 0.2526060 -0.1732498), wk = 0.0044053 k( 122) = ( 0.3333333 0.2526060 -0.1732498), wk = 0.0044053 k( 123) = ( 0.3194444 0.2526060 -0.1732498), wk = 0.0044053 k( 124) = ( 0.3055556 0.2526060 -0.1732498), wk = 0.0044053 k( 125) = ( 0.2916667 0.2526060 -0.1732498), wk = 0.0044053 k( 126) = ( 0.2777778 0.2526060 -0.1732498), wk = 0.0044053 k( 127) = ( 0.2638889 0.2526060 -0.1732498), wk = 0.0044053 k( 128) = ( 0.2500000 0.2526060 -0.1732498), wk = 0.0044053 k( 129) = ( 0.2361111 0.2526060 -0.1732498), wk = 0.0044053 k( 130) = ( 0.2222222 0.2526060 -0.1732498), wk = 0.0044053 k( 131) = ( 0.2083333 0.2526060 -0.1732498), wk = 0.0044053 k( 132) = ( 0.1944444 0.2526060 -0.1732498), wk = 0.0044053 k( 133) = ( 0.1805556 0.2526060 -0.1732498), wk = 0.0044053 k( 134) = ( 0.1666667 0.2526060 -0.1732498), wk = 0.0044053 k( 135) = ( 0.1527778 0.2526060 -0.1732498), wk = 0.0044053 k( 136) = ( 0.1388889 0.2526060 -0.1732498), wk = 0.0044053 k( 137) = ( 0.1250000 0.2526060 -0.1732498), wk = 0.0044053 k( 138) = ( 0.1111111 0.2526060 -0.1732498), wk = 0.0044053 k( 139) = ( 0.0972222 0.2526060 -0.1732498), wk = 0.0044053 k( 140) = ( 0.0833333 0.2526060 -0.1732498), wk = 0.0044053 k( 141) = ( 0.0694444 0.2526060 -0.1732498), wk = 0.0044053 k( 142) = ( 0.0555556 0.2526060 -0.1732498), wk = 0.0044053 k( 143) = ( 0.0416667 0.2526060 -0.1732498), wk = 0.0044053 k( 144) = ( 0.0277778 0.2526060 -0.1732498), wk = 0.0044053 k( 145) = ( 0.0138889 0.2526060 -0.1732498), wk = 0.0044053 k( 146) = ( 0.0000000 0.2526060 -0.1732498), wk = 0.0044053 k( 147) = ( 0.0000000 0.2526060 -0.1732498), wk = 0.0044053 k( 148) = ( 0.0000000 0.2606225 -0.1615614), wk = 0.0044053 k( 149) = ( 0.0000000 0.2686390 -0.1498729), wk = 0.0044053 k( 150) = ( 0.0000000 0.2766555 -0.1381845), wk = 0.0044053 k( 151) = ( 0.0000000 0.2846721 -0.1264961), wk = 0.0044053 k( 152) = ( 0.0000000 0.2926886 -0.1148076), wk = 0.0044053 k( 153) = ( 0.0000000 0.3007051 -0.1031192), wk = 0.0044053 k( 154) = ( 0.0000000 0.3087216 -0.0914307), wk = 0.0044053 k( 155) = ( 0.0000000 0.3167381 -0.0797423), wk = 0.0044053 k( 156) = ( 0.5000000 0.1884738 0.2667574), wk = 0.0044053 k( 157) = ( 0.5000000 0.1750114 0.2667574), wk = 0.0044053 k( 158) = ( 0.5000000 0.1615490 0.2667574), wk = 0.0044053 k( 159) = ( 0.5000000 0.1480866 0.2667574), wk = 0.0044053 k( 160) = ( 0.5000000 0.1346242 0.2667574), wk = 0.0044053 k( 161) = ( 0.5000000 0.1211617 0.2667574), wk = 0.0044053 k( 162) = ( 0.5000000 0.1076993 0.2667574), wk = 0.0044053 k( 163) = ( 0.5000000 0.0942369 0.2667574), wk = 0.0044053 k( 164) = ( 0.5000000 0.0807745 0.2667574), wk = 0.0044053 k( 165) = ( 0.5000000 0.0673121 0.2667574), wk = 0.0044053 k( 166) = ( 0.5000000 0.0538497 0.2667574), wk = 0.0044053 k( 167) = ( 0.5000000 0.0403872 0.2667574), wk = 0.0044053 k( 168) = ( 0.5000000 0.0269248 0.2667574), wk = 0.0044053 k( 169) = ( 0.5000000 0.0134624 0.2667574), wk = 0.0044053 k( 170) = ( 0.5000000 -0.0000000 0.2667574), wk = 0.0044053 k( 171) = ( 0.5000000 -0.0000000 0.2667574), wk = 0.0044053 k( 172) = ( 0.5000000 -0.0000000 0.2527175), wk = 0.0044053 k( 173) = ( 0.5000000 -0.0000000 0.2386777), wk = 0.0044053 k( 174) = ( 0.5000000 -0.0000000 0.2246378), wk = 0.0044053 k( 175) = ( 0.5000000 -0.0000000 0.2105979), wk = 0.0044053 k( 176) = ( 0.5000000 -0.0000000 0.1965581), wk = 0.0044053 k( 177) = ( 0.5000000 -0.0000000 0.1825182), wk = 0.0044053 k( 178) = ( 0.5000000 -0.0000000 0.1684783), wk = 0.0044053 k( 179) = ( 0.5000000 -0.0000000 0.1544385), wk = 0.0044053 k( 180) = ( 0.5000000 -0.0000000 0.1403986), wk = 0.0044053 k( 181) = ( 0.5000000 -0.0000000 0.1263588), wk = 0.0044053 k( 182) = ( 0.5000000 -0.0000000 0.1123189), wk = 0.0044053 k( 183) = ( 0.5000000 -0.0000000 0.0982790), wk = 0.0044053 k( 184) = ( 0.5000000 -0.0000000 0.0842392), wk = 0.0044053 k( 185) = ( 0.5000000 -0.0000000 0.0701993), wk = 0.0044053 k( 186) = ( 0.5000000 -0.0000000 0.0561594), wk = 0.0044053 k( 187) = ( 0.5000000 -0.0000000 0.0421196), wk = 0.0044053 k( 188) = ( 0.5000000 -0.0000000 0.0280797), wk = 0.0044053 k( 189) = ( 0.5000000 -0.0000000 0.0140399), wk = 0.0044053 k( 190) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0044053 k( 191) = ( 0.0000000 0.0000000 0.2667574), wk = 0.0044053 k( 192) = ( 0.0138889 -0.0000000 0.2667574), wk = 0.0044053 k( 193) = ( 0.0277778 -0.0000000 0.2667574), wk = 0.0044053 k( 194) = ( 0.0416667 -0.0000000 0.2667574), wk = 0.0044053 k( 195) = ( 0.0555556 -0.0000000 0.2667574), wk = 0.0044053 k( 196) = ( 0.0694444 -0.0000000 0.2667574), wk = 0.0044053 k( 197) = ( 0.0833333 -0.0000000 0.2667574), wk = 0.0044053 k( 198) = ( 0.0972222 -0.0000000 0.2667574), wk = 0.0044053 k( 199) = ( 0.1111111 -0.0000000 0.2667574), wk = 0.0044053 k( 200) = ( 0.1250000 -0.0000000 0.2667574), wk = 0.0044053 k( 201) = ( 0.1388889 -0.0000000 0.2667574), wk = 0.0044053 k( 202) = ( 0.1527778 -0.0000000 0.2667574), wk = 0.0044053 k( 203) = ( 0.1666667 -0.0000000 0.2667574), wk = 0.0044053 k( 204) = ( 0.1805556 -0.0000000 0.2667574), wk = 0.0044053 k( 205) = ( 0.1944444 -0.0000000 0.2667574), wk = 0.0044053 k( 206) = ( 0.2083333 -0.0000000 0.2667574), wk = 0.0044053 k( 207) = ( 0.2222222 -0.0000000 0.2667574), wk = 0.0044053 k( 208) = ( 0.2361111 -0.0000000 0.2667574), wk = 0.0044053 k( 209) = ( 0.2500000 -0.0000000 0.2667574), wk = 0.0044053 k( 210) = ( 0.2638889 -0.0000000 0.2667574), wk = 0.0044053 k( 211) = ( 0.2777778 -0.0000000 0.2667574), wk = 0.0044053 k( 212) = ( 0.2916667 -0.0000000 0.2667574), wk = 0.0044053 k( 213) = ( 0.3055556 -0.0000000 0.2667574), wk = 0.0044053 k( 214) = ( 0.3194444 -0.0000000 0.2667574), wk = 0.0044053 k( 215) = ( 0.3333333 -0.0000000 0.2667574), wk = 0.0044053 k( 216) = ( 0.3472222 -0.0000000 0.2667574), wk = 0.0044053 k( 217) = ( 0.3611111 -0.0000000 0.2667574), wk = 0.0044053 k( 218) = ( 0.3750000 -0.0000000 0.2667574), wk = 0.0044053 k( 219) = ( 0.3888889 -0.0000000 0.2667574), wk = 0.0044053 k( 220) = ( 0.4027778 -0.0000000 0.2667574), wk = 0.0044053 k( 221) = ( 0.4166667 -0.0000000 0.2667574), wk = 0.0044053 k( 222) = ( 0.4305556 -0.0000000 0.2667574), wk = 0.0044053 k( 223) = ( 0.4444444 -0.0000000 0.2667574), wk = 0.0044053 k( 224) = ( 0.4583333 -0.0000000 0.2667574), wk = 0.0044053 k( 225) = ( 0.4722222 -0.0000000 0.2667574), wk = 0.0044053 k( 226) = ( 0.4861111 -0.0000000 0.2667574), wk = 0.0044053 k( 227) = ( 0.5000000 -0.0000000 0.2667574), wk = 0.0044053 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0044053 k( 3) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0044053 k( 4) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0044053 k( 5) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0044053 k( 6) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0044053 k( 7) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0044053 k( 8) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0044053 k( 9) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0044053 k( 10) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0044053 k( 11) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0044053 k( 12) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0044053 k( 13) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0044053 k( 14) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0044053 k( 15) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0044053 k( 16) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0044053 k( 17) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0044053 k( 18) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0044053 k( 19) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0044053 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 22) = ( 0.0000000 0.0266471 0.5173064), wk = 0.0044053 k( 23) = ( 0.0000000 0.0532941 0.5346127), wk = 0.0044053 k( 24) = ( 0.0000000 0.0799412 0.5519191), wk = 0.0044053 k( 25) = ( 0.0000000 0.1065883 0.5692255), wk = 0.0044053 k( 26) = ( 0.0000000 0.1332353 0.5865318), wk = 0.0044053 k( 27) = ( 0.0000000 0.1598824 0.6038382), wk = 0.0044053 k( 28) = ( 0.0000000 0.1865295 0.6211445), wk = 0.0044053 k( 29) = ( 0.0000000 0.2131765 0.6384509), wk = 0.0044053 k( 30) = ( 0.0000000 0.2398236 0.6557572), wk = 0.0044053 k( 31) = ( 0.0000000 0.2664707 0.6730636), wk = 0.0044053 k( 32) = ( 0.0000000 0.2931177 0.6903700), wk = 0.0044053 k( 33) = ( 0.0000000 0.3197648 0.7076763), wk = 0.0044053 k( 34) = ( 0.0000000 0.3464118 0.7249827), wk = 0.0044053 k( 35) = ( 0.0000000 0.3730589 0.7422891), wk = 0.0044053 k( 36) = ( 0.0000000 0.3730589 0.7422891), wk = 0.0044053 k( 37) = ( 0.0000000 0.3828236 0.7236514), wk = 0.0044053 k( 38) = ( 0.0000000 0.3925883 0.7050138), wk = 0.0044053 k( 39) = ( 0.0000000 0.4023530 0.6863762), wk = 0.0044053 k( 40) = ( 0.0000000 0.4121177 0.6677386), wk = 0.0044053 k( 41) = ( 0.0000000 0.4218824 0.6491010), wk = 0.0044053 k( 42) = ( 0.0000000 0.4316471 0.6304633), wk = 0.0044053 k( 43) = ( 0.0000000 0.4414118 0.6118257), wk = 0.0044053 k( 44) = ( 0.0000000 0.4511765 0.5931881), wk = 0.0044053 k( 45) = ( 0.0000000 0.4609412 0.5745505), wk = 0.0044053 k( 46) = ( 0.0000000 0.4707059 0.5559129), wk = 0.0044053 k( 47) = ( 0.0000000 0.4804706 0.5372752), wk = 0.0044053 k( 48) = ( 0.0000000 0.4902353 0.5186376), wk = 0.0044053 k( 49) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044053 k( 50) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044053 k( 51) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0044053 k( 52) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0044053 k( 53) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0044053 k( 54) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0044053 k( 55) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0044053 k( 56) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0044053 k( 57) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0044053 k( 58) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0044053 k( 59) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0044053 k( 60) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0044053 k( 61) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0044053 k( 62) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0044053 k( 63) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0044053 k( 64) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0044053 k( 65) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0044053 k( 66) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0044053 k( 67) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0044053 k( 68) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0044053 k( 69) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0044053 k( 70) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0044053 k( 71) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0044053 k( 72) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0044053 k( 73) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0044053 k( 74) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0044053 k( 75) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0044053 k( 76) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0044053 k( 77) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0044053 k( 78) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0044053 k( 79) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0044053 k( 80) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0044053 k( 81) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0044053 k( 82) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0044053 k( 83) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0044053 k( 84) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0044053 k( 85) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0044053 k( 86) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 87) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 88) = ( 0.5000000 0.5097647 0.4813624), wk = 0.0044053 k( 89) = ( 0.5000000 0.5195294 0.4627248), wk = 0.0044053 k( 90) = ( 0.5000000 0.5292941 0.4440871), wk = 0.0044053 k( 91) = ( 0.5000000 0.5390588 0.4254495), wk = 0.0044053 k( 92) = ( 0.5000000 0.5488235 0.4068119), wk = 0.0044053 k( 93) = ( 0.5000000 0.5585882 0.3881743), wk = 0.0044053 k( 94) = ( 0.5000000 0.5683529 0.3695367), wk = 0.0044053 k( 95) = ( 0.5000000 0.5781176 0.3508990), wk = 0.0044053 k( 96) = ( 0.5000000 0.5878823 0.3322614), wk = 0.0044053 k( 97) = ( 0.5000000 0.5976470 0.3136238), wk = 0.0044053 k( 98) = ( 0.5000000 0.6074117 0.2949862), wk = 0.0044053 k( 99) = ( 0.5000000 0.6171764 0.2763486), wk = 0.0044053 k( 100) = ( 0.5000000 0.6269411 0.2577109), wk = 0.0044053 k( 101) = ( 0.5000000 0.6269411 0.2577109), wk = 0.0044053 k( 102) = ( 0.5000000 0.6110735 0.2254971), wk = 0.0044053 k( 103) = ( 0.5000000 0.5952058 0.1932832), wk = 0.0044053 k( 104) = ( 0.5000000 0.5793382 0.1610693), wk = 0.0044053 k( 105) = ( 0.5000000 0.5634706 0.1288555), wk = 0.0044053 k( 106) = ( 0.5000000 0.5476029 0.0966416), wk = 0.0044053 k( 107) = ( 0.5000000 0.5317353 0.0644277), wk = 0.0044053 k( 108) = ( 0.5000000 0.5158676 0.0322139), wk = 0.0044053 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044053 k( 110) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044053 k( 111) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0044053 k( 112) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0044053 k( 113) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0044053 k( 114) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0044053 k( 115) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0044053 k( 116) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0044053 k( 117) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0044053 k( 118) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0044053 k( 119) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0044053 k( 120) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0044053 k( 121) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0044053 k( 122) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0044053 k( 123) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0044053 k( 124) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0044053 k( 125) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0044053 k( 126) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0044053 k( 127) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0044053 k( 128) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0044053 k( 129) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0044053 k( 130) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0044053 k( 131) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0044053 k( 132) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0044053 k( 133) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0044053 k( 134) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0044053 k( 135) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0044053 k( 136) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0044053 k( 137) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0044053 k( 138) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0044053 k( 139) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0044053 k( 140) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0044053 k( 141) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0044053 k( 142) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0044053 k( 143) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0044053 k( 144) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0044053 k( 145) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0044053 k( 146) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044053 k( 147) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044053 k( 148) = ( 0.0000000 0.5158676 0.0322139), wk = 0.0044053 k( 149) = ( 0.0000000 0.5317353 0.0644277), wk = 0.0044053 k( 150) = ( 0.0000000 0.5476029 0.0966416), wk = 0.0044053 k( 151) = ( 0.0000000 0.5634706 0.1288555), wk = 0.0044053 k( 152) = ( 0.0000000 0.5793382 0.1610693), wk = 0.0044053 k( 153) = ( 0.0000000 0.5952058 0.1932832), wk = 0.0044053 k( 154) = ( 0.0000000 0.6110735 0.2254971), wk = 0.0044053 k( 155) = ( 0.0000000 0.6269411 0.2577109), wk = 0.0044053 k( 156) = ( 0.5000000 0.3730589 0.7422891), wk = 0.0044053 k( 157) = ( 0.5000000 0.3464118 0.7249827), wk = 0.0044053 k( 158) = ( 0.5000000 0.3197648 0.7076763), wk = 0.0044053 k( 159) = ( 0.5000000 0.2931177 0.6903700), wk = 0.0044053 k( 160) = ( 0.5000000 0.2664707 0.6730636), wk = 0.0044053 k( 161) = ( 0.5000000 0.2398236 0.6557572), wk = 0.0044053 k( 162) = ( 0.5000000 0.2131765 0.6384509), wk = 0.0044053 k( 163) = ( 0.5000000 0.1865295 0.6211445), wk = 0.0044053 k( 164) = ( 0.5000000 0.1598824 0.6038382), wk = 0.0044053 k( 165) = ( 0.5000000 0.1332353 0.5865318), wk = 0.0044053 k( 166) = ( 0.5000000 0.1065883 0.5692255), wk = 0.0044053 k( 167) = ( 0.5000000 0.0799412 0.5519191), wk = 0.0044053 k( 168) = ( 0.5000000 0.0532941 0.5346127), wk = 0.0044053 k( 169) = ( 0.5000000 0.0266471 0.5173064), wk = 0.0044053 k( 170) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044053 k( 171) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044053 k( 172) = ( 0.5000000 -0.0000000 0.4736842), wk = 0.0044053 k( 173) = ( 0.5000000 -0.0000000 0.4473684), wk = 0.0044053 k( 174) = ( 0.5000000 -0.0000000 0.4210526), wk = 0.0044053 k( 175) = ( 0.5000000 -0.0000000 0.3947368), wk = 0.0044053 k( 176) = ( 0.5000000 -0.0000000 0.3684211), wk = 0.0044053 k( 177) = ( 0.5000000 -0.0000000 0.3421053), wk = 0.0044053 k( 178) = ( 0.5000000 -0.0000000 0.3157895), wk = 0.0044053 k( 179) = ( 0.5000000 -0.0000000 0.2894737), wk = 0.0044053 k( 180) = ( 0.5000000 -0.0000000 0.2631579), wk = 0.0044053 k( 181) = ( 0.5000000 -0.0000000 0.2368421), wk = 0.0044053 k( 182) = ( 0.5000000 -0.0000000 0.2105263), wk = 0.0044053 k( 183) = ( 0.5000000 -0.0000000 0.1842105), wk = 0.0044053 k( 184) = ( 0.5000000 -0.0000000 0.1578947), wk = 0.0044053 k( 185) = ( 0.5000000 -0.0000000 0.1315790), wk = 0.0044053 k( 186) = ( 0.5000000 -0.0000000 0.1052632), wk = 0.0044053 k( 187) = ( 0.5000000 -0.0000000 0.0789474), wk = 0.0044053 k( 188) = ( 0.5000000 -0.0000000 0.0526316), wk = 0.0044053 k( 189) = ( 0.5000000 -0.0000000 0.0263158), wk = 0.0044053 k( 190) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0044053 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 192) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0044053 k( 193) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0044053 k( 194) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0044053 k( 195) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0044053 k( 196) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0044053 k( 197) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0044053 k( 198) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0044053 k( 199) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0044053 k( 200) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0044053 k( 201) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0044053 k( 202) = ( 0.1527778 -0.0000000 0.5000000), wk = 0.0044053 k( 203) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0044053 k( 204) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0044053 k( 205) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0044053 k( 206) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0044053 k( 207) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0044053 k( 208) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0044053 k( 209) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0044053 k( 210) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0044053 k( 211) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0044053 k( 212) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0044053 k( 213) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0044053 k( 214) = ( 0.3194444 0.0000000 0.5000000), wk = 0.0044053 k( 215) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0044053 k( 216) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0044053 k( 217) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0044053 k( 218) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0044053 k( 219) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0044053 k( 220) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0044053 k( 221) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0044053 k( 222) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0044053 k( 223) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0044053 k( 224) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0044053 k( 225) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0044053 k( 226) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0044053 k( 227) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044053 Dense grid: 331433 G-vectors FFT dimensions: ( 60, 120, 128) Smooth grid: 94831 G-vectors FFT dimensions: ( 40, 75, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.13 Mb ( 672, 110) NL pseudopotentials 2.09 Mb ( 336, 408) Each V/rho on FFT grid 0.44 Mb ( 28800) Each G-vector array 0.07 Mb ( 9210) G-vector shells 0.07 Mb ( 8962) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.51 Mb ( 672, 440) Each subspace H/S matrix 0.18 Mb ( 110, 110) Each matrix 1.37 Mb ( 408, 2, 110) The potential is recalculated from file : ./AgTe4Au.save/charge-density.dat Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.8 secs Computing kpt #: 2 total cpu time spent up to now is 11.5 secs Computing kpt #: 3 total cpu time spent up to now is 16.0 secs Computing kpt #: 4 total cpu time spent up to now is 19.7 secs Computing kpt #: 5 total cpu time spent up to now is 23.4 secs Computing kpt #: 6 total cpu time spent up to now is 27.2 secs Computing kpt #: 7 total cpu time spent up to now is 30.9 secs Computing kpt #: 8 total cpu time spent up to now is 34.6 secs Computing kpt #: 9 total cpu time spent up to now is 38.2 secs Computing kpt #: 10 total cpu time spent up to now is 41.9 secs Computing kpt #: 11 total cpu time spent up to now is 45.6 secs Computing kpt #: 12 total cpu time spent up to now is 49.3 secs Computing kpt #: 13 total cpu time spent up to now is 52.9 secs Computing kpt #: 14 total cpu time spent up to now is 56.6 secs Computing kpt #: 15 total cpu time spent up to now is 60.2 secs Computing kpt #: 16 total cpu time spent up to now is 63.9 secs Computing kpt #: 17 total cpu time spent up to now is 67.6 secs Computing kpt #: 18 total cpu time spent up to now is 71.3 secs Computing kpt #: 19 total cpu time spent up to now is 75.3 secs Computing kpt #: 20 total cpu time spent up to now is 79.1 secs Computing kpt #: 21 total cpu time spent up to now is 82.9 secs Computing kpt #: 22 total cpu time spent up to now is 87.0 secs Computing kpt #: 23 total cpu time spent up to now is 91.5 secs Computing kpt #: 24 total cpu time spent up to now is 96.0 secs Computing kpt #: 25 total cpu time spent up to now is 100.5 secs Computing kpt #: 26 total cpu time spent up to now is 105.0 secs Computing kpt #: 27 total cpu time spent up to now is 109.6 secs Computing kpt #: 28 total cpu time spent up to now is 114.1 secs Computing kpt #: 29 total cpu time spent up to now is 118.6 secs Computing kpt #: 30 total cpu time spent up to now is 123.1 secs Computing kpt #: 31 total cpu time spent up to now is 127.2 secs Computing kpt #: 32 total cpu time spent up to now is 131.4 secs Computing kpt #: 33 total cpu time spent up to now is 135.4 secs Computing kpt #: 34 total cpu time spent up to now is 139.3 secs Computing kpt #: 35 total cpu time spent up to now is 143.2 secs Computing kpt #: 36 total cpu time spent up to now is 147.2 secs Computing kpt #: 37 total cpu time spent up to now is 151.1 secs Computing kpt #: 38 total cpu time spent up to now is 155.2 secs Computing kpt #: 39 total cpu time spent up to now is 159.3 secs Computing kpt #: 40 total cpu time spent up to now is 163.4 secs Computing kpt #: 41 total cpu time spent up to now is 167.4 secs Computing kpt #: 42 total cpu time spent up to now is 171.5 secs Computing kpt #: 43 total cpu time spent up to now is 175.6 secs Computing kpt #: 44 total cpu time spent up to now is 179.7 secs Computing kpt #: 45 total cpu time spent up to now is 183.7 secs Computing kpt #: 46 total cpu time spent up to now is 187.8 secs Computing kpt #: 47 total cpu time spent up to now is 191.8 secs Computing kpt #: 48 total cpu time spent up to now is 195.9 secs Computing kpt #: 49 total cpu time spent up to now is 199.8 secs Computing kpt #: 50 total cpu time spent up to now is 203.7 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.1 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.6 secs Computing kpt #: 53 total cpu time spent up to now is 225.8 secs Computing kpt #: 54 total cpu time spent up to now is 231.4 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.8 secs Computing kpt #: 56 total cpu time spent up to now is 243.5 secs Computing kpt #: 57 total cpu time spent up to now is 247.6 secs Computing kpt #: 58 total cpu time spent up to now is 251.7 secs Computing kpt #: 59 total cpu time spent up to now is 255.7 secs Computing kpt #: 60 total cpu time spent up to now is 259.7 secs Computing kpt #: 61 total cpu time spent up to now is 263.7 secs Computing kpt #: 62 total cpu time spent up to now is 267.7 secs Computing kpt #: 63 total cpu time spent up to now is 271.7 secs Computing kpt #: 64 total cpu time spent up to now is 275.5 secs Computing kpt #: 65 total cpu time spent up to now is 279.5 secs Computing kpt #: 66 total cpu time spent up to now is 283.5 secs Computing kpt #: 67 total cpu time spent up to now is 287.4 secs Computing kpt #: 68 total cpu time spent up to now is 291.3 secs Computing kpt #: 69 total cpu time spent up to now is 295.2 secs Computing kpt #: 70 total cpu time spent up to now is 299.1 secs Computing kpt #: 71 total cpu time spent up to now is 303.0 secs Computing kpt #: 72 total cpu time spent up to now is 306.9 secs Computing kpt #: 73 total cpu time spent up to now is 310.7 secs Computing kpt #: 74 total cpu time spent up to now is 315.1 secs Computing kpt #: 75 total cpu time spent up to now is 319.0 secs Computing kpt #: 76 total cpu time spent up to now is 322.9 secs Computing kpt #: 77 total cpu time spent up to now is 326.7 secs Computing kpt #: 78 total cpu time spent up to now is 330.6 secs Computing kpt #: 79 total cpu time spent up to now is 334.4 secs Computing kpt #: 80 total cpu time spent up to now is 338.3 secs Computing kpt #: 81 total cpu time spent up to now is 342.1 secs Computing kpt #: 82 total cpu time spent up to now is 346.0 secs Computing kpt #: 83 total cpu time spent up to now is 349.9 secs Computing kpt #: 84 total cpu time spent up to now is 353.9 secs Computing kpt #: 85 total cpu time spent up to now is 357.8 secs Computing kpt #: 86 total cpu time spent up to now is 361.3 secs Computing kpt #: 87 total cpu time spent up to now is 364.9 secs Computing kpt #: 88 total cpu time spent up to now is 368.8 secs Computing kpt #: 89 total cpu time spent up to now is 372.5 secs Computing kpt #: 90 total cpu time spent up to now is 376.4 secs Computing kpt #: 91 total cpu time spent up to now is 380.3 secs Computing kpt #: 92 total cpu time spent up to now is 384.0 secs Computing kpt #: 93 total cpu time spent up to now is 387.7 secs Computing kpt #: 94 total cpu time spent up to now is 391.5 secs Computing kpt #: 95 total cpu time spent up to now is 395.4 secs Computing kpt #: 96 total cpu time spent up to now is 399.4 secs Computing kpt #: 97 total cpu time spent up to now is 403.5 secs Computing kpt #: 98 total cpu time spent up to now is 407.5 secs Computing kpt #: 99 total cpu time spent up to now is 411.5 secs Computing kpt #: 100 total cpu time spent up to now is 415.5 secs Computing kpt #: 101 total cpu time spent up to now is 419.6 secs Computing kpt #: 102 total cpu time spent up to now is 423.7 secs Computing kpt #: 103 total cpu time spent up to now is 428.2 secs Computing kpt #: 104 total cpu time spent up to now is 432.8 secs Computing kpt #: 105 total cpu time spent up to now is 437.4 secs Computing kpt #: 106 total cpu time spent up to now is 442.0 secs Computing kpt #: 107 total cpu time spent up to now is 447.6 secs Computing kpt #: 108 total cpu time spent up to now is 452.1 secs Computing kpt #: 109 total cpu time spent up to now is 456.5 secs Computing kpt #: 110 total cpu time spent up to now is 460.9 secs Computing kpt #: 111 total cpu time spent up to now is 465.4 secs Computing kpt #: 112 total cpu time spent up to now is 469.2 secs Computing kpt #: 113 total cpu time spent up to now is 473.0 secs Computing kpt #: 114 total cpu time spent up to now is 476.7 secs Computing kpt #: 115 total cpu time spent up to now is 480.4 secs Computing kpt #: 116 total cpu time spent up to now is 484.1 secs Computing kpt #: 117 total cpu time spent up to now is 487.8 secs Computing kpt #: 118 total cpu time spent up to now is 491.4 secs Computing kpt #: 119 total cpu time spent up to now is 495.1 secs Computing kpt #: 120 total cpu time spent up to now is 498.8 secs Computing kpt #: 121 total cpu time spent up to now is 502.5 secs Computing kpt #: 122 total cpu time spent up to now is 506.1 secs Computing kpt #: 123 total cpu time spent up to now is 509.8 secs Computing kpt #: 124 total cpu time spent up to now is 513.4 secs Computing kpt #: 125 total cpu time spent up to now is 517.1 secs Computing kpt #: 126 total cpu time spent up to now is 520.6 secs Computing kpt #: 127 total cpu time spent up to now is 524.3 secs Computing kpt #: 128 total cpu time spent up to now is 527.9 secs Computing kpt #: 129 total cpu time spent up to now is 531.5 secs Computing kpt #: 130 total cpu time spent up to now is 535.1 secs Computing kpt #: 131 total cpu time spent up to now is 538.7 secs Computing kpt #: 132 total cpu time spent up to now is 542.3 secs Computing kpt #: 133 total cpu time spent up to now is 545.9 secs Computing kpt #: 134 total cpu time spent up to now is 549.6 secs Computing kpt #: 135 total cpu time spent up to now is 553.3 secs Computing kpt #: 136 total cpu time spent up to now is 557.1 secs Computing kpt #: 137 total cpu time spent up to now is 560.9 secs Computing kpt #: 138 total cpu time spent up to now is 564.9 secs Computing kpt #: 139 total cpu time spent up to now is 569.4 secs Computing kpt #: 140 total cpu time spent up to now is 573.9 secs Computing kpt #: 141 total cpu time spent up to now is 578.0 secs Computing kpt #: 142 total cpu time spent up to now is 582.1 secs Computing kpt #: 143 total cpu time spent up to now is 586.1 secs Computing kpt #: 144 total cpu time spent up to now is 590.1 secs Computing kpt #: 145 total cpu time spent up to now is 594.1 secs Computing kpt #: 146 total cpu time spent up to now is 598.5 secs Computing kpt #: 147 total cpu time spent up to now is 602.9 secs Computing kpt #: 148 total cpu time spent up to now is 606.9 secs Computing kpt #: 149 total cpu time spent up to now is 610.8 secs Computing kpt #: 150 total cpu time spent up to now is 615.1 secs Computing kpt #: 151 total cpu time spent up to now is 619.0 secs Computing kpt #: 152 total cpu time spent up to now is 622.9 secs Computing kpt #: 153 total cpu time spent up to now is 626.8 secs Computing kpt #: 154 total cpu time spent up to now is 630.7 secs Computing kpt #: 155 total cpu time spent up to now is 634.6 secs Computing kpt #: 156 total cpu time spent up to now is 638.7 secs Computing kpt #: 157 total cpu time spent up to now is 642.7 secs Computing kpt #: 158 total cpu time spent up to now is 646.7 secs Computing kpt #: 159 total cpu time spent up to now is 650.8 secs Computing kpt #: 160 total cpu time spent up to now is 654.9 secs Computing kpt #: 161 total cpu time spent up to now is 659.0 secs Computing kpt #: 162 total cpu time spent up to now is 663.6 secs Computing kpt #: 163 total cpu time spent up to now is 668.1 secs Computing kpt #: 164 total cpu time spent up to now is 672.9 secs Computing kpt #: 165 total cpu time spent up to now is 677.7 secs Computing kpt #: 166 total cpu time spent up to now is 683.1 secs Computing kpt #: 167 total cpu time spent up to now is 688.5 secs Computing kpt #: 168 total cpu time spent up to now is 695.6 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 703.2 secs Computing kpt #: 170 total cpu time spent up to now is 707.2 secs Computing kpt #: 171 total cpu time spent up to now is 711.6 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.1 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 727.3 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 734.9 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 742.2 secs Computing kpt #: 176 total cpu time spent up to now is 747.9 secs Computing kpt #: 177 total cpu time spent up to now is 751.9 secs Computing kpt #: 178 total cpu time spent up to now is 755.9 secs Computing kpt #: 179 total cpu time spent up to now is 759.9 secs Computing kpt #: 180 total cpu time spent up to now is 764.0 secs Computing kpt #: 181 total cpu time spent up to now is 767.7 secs Computing kpt #: 182 total cpu time spent up to now is 771.3 secs Computing kpt #: 183 total cpu time spent up to now is 774.9 secs Computing kpt #: 184 total cpu time spent up to now is 778.4 secs Computing kpt #: 185 total cpu time spent up to now is 782.0 secs Computing kpt #: 186 total cpu time spent up to now is 785.1 secs Computing kpt #: 187 total cpu time spent up to now is 788.2 secs Computing kpt #: 188 total cpu time spent up to now is 791.3 secs Computing kpt #: 189 total cpu time spent up to now is 794.4 secs Computing kpt #: 190 total cpu time spent up to now is 797.5 secs Computing kpt #: 191 total cpu time spent up to now is 801.4 secs Computing kpt #: 192 total cpu time spent up to now is 805.9 secs Computing kpt #: 193 total cpu time spent up to now is 810.4 secs Computing kpt #: 194 total cpu time spent up to now is 816.5 secs Computing kpt #: 195 total cpu time spent up to now is 821.5 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 828.9 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 836.4 secs Computing kpt #: 198 total cpu time spent up to now is 840.9 secs Computing kpt #: 199 total cpu time spent up to now is 845.1 secs Computing kpt #: 200 total cpu time spent up to now is 849.6 secs Computing kpt #: 201 total cpu time spent up to now is 854.2 secs Computing kpt #: 202 total cpu time spent up to now is 858.7 secs Computing kpt #: 203 total cpu time spent up to now is 863.3 secs Computing kpt #: 204 total cpu time spent up to now is 867.8 secs Computing kpt #: 205 total cpu time spent up to now is 872.4 secs Computing kpt #: 206 total cpu time spent up to now is 876.9 secs Computing kpt #: 207 total cpu time spent up to now is 881.4 secs Computing kpt #: 208 total cpu time spent up to now is 885.4 secs Computing kpt #: 209 total cpu time spent up to now is 889.4 secs Computing kpt #: 210 total cpu time spent up to now is 893.9 secs Computing kpt #: 211 total cpu time spent up to now is 898.5 secs Computing kpt #: 212 total cpu time spent up to now is 903.0 secs Computing kpt #: 213 total cpu time spent up to now is 908.7 secs Computing kpt #: 214 total cpu time spent up to now is 913.4 secs Computing kpt #: 215 total cpu time spent up to now is 918.4 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 925.9 secs Computing kpt #: 217 total cpu time spent up to now is 932.1 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 939.5 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 947.1 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 954.5 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 962.8 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 970.4 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 977.9 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 985.5 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 992.8 secs Computing kpt #: 226 total cpu time spent up to now is 997.3 secs Computing kpt #: 227 total cpu time spent up to now is 1001.2 secs ethr = 1.09E-08, avg # of iterations = 43.0 total cpu time spent up to now is 1001.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11839 PWs) bands (ev): -5.3946 -5.3946 -4.3835 -4.3835 -4.3721 -4.3721 -4.3195 -4.3195 -3.4121 -3.4121 -2.9719 -2.9719 -2.5036 -2.5036 -1.9101 -1.9101 1.3254 1.3254 1.4163 1.4163 1.6541 1.6541 1.9161 1.9161 2.1545 2.1545 2.4059 2.4059 2.4931 2.4931 2.6703 2.6703 2.9772 2.9772 3.0456 3.0456 3.0931 3.0931 3.2761 3.2761 3.4079 3.4079 3.4554 3.4554 3.4578 3.4578 3.5537 3.5537 3.6390 3.6390 3.7076 3.7076 3.7618 3.7618 3.8659 3.8659 3.8784 3.8784 4.2135 4.2135 4.3209 4.3209 4.3578 4.3578 4.6420 4.6420 4.7001 4.7001 5.5713 5.5713 5.6605 5.6605 5.7202 5.7202 5.9872 5.9872 6.2179 6.2179 6.2968 6.2968 6.4702 6.4702 6.7016 6.7016 6.8501 6.8501 6.9833 6.9833 7.3016 7.3016 7.3505 7.3505 8.1032 8.1032 8.3373 8.3373 8.7518 8.7518 9.1271 9.1271 9.5411 9.5411 9.7223 9.7223 10.6422 10.6422 10.8852 10.8852 10.8956 10.8956 k = 0.0000 0.0000 0.0140 ( 11843 PWs) bands (ev): -5.3934 -5.3934 -4.3927 -4.3927 -4.3662 -4.3662 -4.3197 -4.3197 -3.4096 -3.4096 -2.9699 -2.9699 -2.5038 -2.5038 -1.9136 -1.9136 1.3286 1.3286 1.4181 1.4181 1.6555 1.6555 1.9172 1.9172 2.1544 2.1544 2.4056 2.4056 2.4928 2.4928 2.6710 2.6710 2.9772 2.9772 3.0448 3.0448 3.0944 3.0944 3.2746 3.2746 3.4081 3.4081 3.4496 3.4496 3.4634 3.4634 3.5535 3.5535 3.6387 3.6387 3.7063 3.7063 3.7617 3.7617 3.8523 3.8523 3.8949 3.8949 4.2132 4.2132 4.3209 4.3209 4.3586 4.3586 4.6414 4.6414 4.7017 4.7017 5.5438 5.5438 5.6264 5.6264 5.7494 5.7494 5.9832 5.9832 6.2381 6.2381 6.2909 6.2909 6.4725 6.4725 6.7001 6.7001 6.8560 6.8560 6.9852 6.9852 7.2984 7.2984 7.3516 7.3516 8.1040 8.1040 8.3445 8.3445 8.7570 8.7570 9.1276 9.1276 9.5402 9.5402 9.7216 9.7216 10.6348 10.6348 10.8770 10.8770 10.8962 10.8962 k = 0.0000 0.0000 0.0281 ( 11832 PWs) bands (ev): -5.3901 -5.3901 -4.4091 -4.4091 -4.3594 -4.3594 -4.3204 -4.3204 -3.4020 -3.4020 -2.9640 -2.9640 -2.5046 -2.5046 -1.9238 -1.9238 1.3377 1.3377 1.4237 1.4237 1.6597 1.6597 1.9206 1.9206 2.1542 2.1542 2.4050 2.4050 2.4917 2.4917 2.6732 2.6732 2.9769 2.9769 3.0430 3.0430 3.0983 3.0983 3.2699 3.2699 3.4086 3.4086 3.4425 3.4425 3.4698 3.4698 3.5529 3.5529 3.6378 3.6378 3.7025 3.7025 3.7614 3.7614 3.8368 3.8368 3.9185 3.9185 4.2123 4.2123 4.3209 4.3209 4.3608 4.3608 4.6398 4.6398 4.7061 4.7061 5.4635 5.4635 5.5912 5.5912 5.7723 5.7723 5.9731 5.9731 6.2674 6.2674 6.2986 6.2986 6.4802 6.4802 6.6962 6.6962 6.8710 6.8710 6.9919 6.9919 7.2896 7.2896 7.3541 7.3541 8.1063 8.1063 8.3653 8.3653 8.7728 8.7728 9.1291 9.1291 9.5376 9.5376 9.7194 9.7194 10.6174 10.6174 10.8334 10.8334 10.9219 10.9219 k = 0.0000 0.0000 0.0421 ( 11847 PWs) bands (ev): -5.3844 -5.3844 -4.4296 -4.4296 -4.3547 -4.3547 -4.3216 -4.3216 -3.3894 -3.3894 -2.9544 -2.9544 -2.5059 -2.5059 -1.9407 -1.9407 1.3522 1.3522 1.4334 1.4334 1.6663 1.6663 1.9265 1.9265 2.1540 2.1540 2.4038 2.4038 2.4900 2.4900 2.6767 2.6767 2.9761 2.9761 3.0409 3.0409 3.1040 3.1040 3.2624 3.2624 3.4091 3.4091 3.4354 3.4354 3.4761 3.4761 3.5519 3.5519 3.6365 3.6365 3.6965 3.6965 3.7610 3.7610 3.8239 3.8239 3.9441 3.9441 4.2107 4.2107 4.3212 4.3212 4.3642 4.3642 4.6373 4.6373 4.7128 4.7128 5.3606 5.3606 5.5558 5.5558 5.7701 5.7701 5.9598 5.9598 6.2470 6.2470 6.3632 6.3632 6.4971 6.4971 6.6913 6.6913 6.8892 6.8892 7.0064 7.0064 7.2769 7.2769 7.3569 7.3569 8.1103 8.1103 8.3974 8.3974 8.7997 8.7997 9.1318 9.1318 9.5336 9.5336 9.7153 9.7153 10.5978 10.5978 10.7798 10.7798 10.9530 10.9530 k = 0.0000 0.0000 0.0562 ( 11848 PWs) bands (ev): -5.3766 -5.3766 -4.4538 -4.4538 -4.3520 -4.3520 -4.3232 -4.3232 -3.3722 -3.3722 -2.9414 -2.9414 -2.5077 -2.5077 -1.9639 -1.9639 1.3708 1.3708 1.4479 1.4479 1.6749 1.6749 1.9351 1.9351 2.1541 2.1541 2.4022 2.4022 2.4878 2.4878 2.6812 2.6812 2.9744 2.9744 3.0394 3.0394 3.1110 3.1110 3.2524 3.2524 3.4085 3.4085 3.4290 3.4290 3.4823 3.4823 3.5504 3.5504 3.6348 3.6348 3.6889 3.6889 3.7607 3.7607 3.8134 3.8134 3.9705 3.9705 4.2085 4.2085 4.3222 4.3222 4.3685 4.3685 4.6341 4.6341 4.7204 4.7204 5.2532 5.2532 5.5129 5.5129 5.7467 5.7467 5.9443 5.9443 6.2224 6.2224 6.4150 6.4150 6.5327 6.5327 6.6893 6.6893 6.9075 6.9075 7.0299 7.0299 7.2625 7.2625 7.3587 7.3587 8.1164 8.1164 8.4372 8.4372 8.8383 8.8383 9.1359 9.1359 9.5284 9.5284 9.7090 9.7090 10.5820 10.5820 10.7259 10.7259 10.9800 10.9800 k = 0.0000 0.0000 0.0702 ( 11848 PWs) bands (ev): -5.3665 -5.3665 -4.4813 -4.4813 -4.3508 -4.3508 -4.3253 -4.3253 -3.3506 -3.3506 -2.9254 -2.9254 -2.5101 -2.5101 -1.9929 -1.9929 1.3915 1.3915 1.4685 1.4685 1.6848 1.6848 1.9466 1.9466 2.1547 2.1547 2.4000 2.4000 2.4852 2.4852 2.6866 2.6866 2.9715 2.9715 3.0391 3.0391 3.1190 3.1190 3.2401 3.2401 3.4051 3.4051 3.4248 3.4248 3.4884 3.4884 3.5483 3.5483 3.6329 3.6329 3.6804 3.6804 3.7602 3.7602 3.8048 3.8048 3.9967 3.9967 4.2055 4.2055 4.3241 4.3241 4.3730 4.3730 4.6306 4.6306 4.7268 4.7268 5.1496 5.1496 5.4624 5.4624 5.7086 5.7086 5.9258 5.9258 6.1979 6.1979 6.4383 6.4383 6.5773 6.5773 6.6997 6.6997 6.9288 6.9288 7.0607 7.0607 7.2490 7.2490 7.3585 7.3585 8.1252 8.1252 8.4803 8.4803 8.8893 8.8893 9.1417 9.1417 9.5227 9.5227 9.6999 9.6999 10.5728 10.5728 10.6767 10.6767 10.9968 10.9968 k = 0.0000 0.0000 0.0842 ( 11844 PWs) bands (ev): -5.3542 -5.3542 -4.5119 -4.5119 -4.3509 -4.3509 -4.3277 -4.3277 -3.3248 -3.3248 -2.9069 -2.9069 -2.5131 -2.5131 -2.0273 -2.0273 1.4128 1.4128 1.4961 1.4961 1.6955 1.6955 1.9612 1.9612 2.1565 2.1565 2.3974 2.3974 2.4821 2.4821 2.6925 2.6925 2.9673 2.9673 3.0400 3.0400 3.1276 3.1276 3.2262 3.2262 3.3977 3.3977 3.4236 3.4236 3.4944 3.4944 3.5458 3.5458 3.6308 3.6308 3.6720 3.6720 3.7595 3.7595 3.7977 3.7977 4.0214 4.0214 4.2014 4.2014 4.3274 4.3274 4.3773 4.3773 4.6267 4.6267 4.7282 4.7282 5.0576 5.0576 5.4059 5.4059 5.6617 5.6617 5.9037 5.9037 6.1741 6.1741 6.4438 6.4438 6.6008 6.6008 6.7296 6.7296 6.9588 6.9588 7.0962 7.0962 7.2400 7.2400 7.3557 7.3557 8.1370 8.1370 8.5226 8.5226 8.9523 8.9523 9.1497 9.1497 9.5172 9.5172 9.6880 9.6880 10.5708 10.5708 10.6355 10.6355 11.0020 11.0020 k = 0.0000 0.0000 0.0983 ( 11835 PWs) bands (ev): -5.3398 -5.3398 -4.5451 -4.5451 -4.3518 -4.3518 -4.3304 -4.3304 -3.2953 -3.2953 -2.8863 -2.8863 -2.5168 -2.5168 -2.0664 -2.0664 1.4336 1.4336 1.5304 1.5304 1.7061 1.7061 1.9788 1.9788 2.1600 2.1600 2.3944 2.3944 2.4785 2.4785 2.6988 2.6988 2.9620 2.9620 3.0420 3.0420 3.1364 3.1364 3.2111 3.2111 3.3875 3.3875 3.4237 3.4237 3.5001 3.5001 3.5429 3.5429 3.6282 3.6282 3.6645 3.6645 3.7580 3.7580 3.7921 3.7921 4.0436 4.0436 4.1958 4.1958 4.3321 4.3321 4.3804 4.3804 4.6227 4.6227 4.7185 4.7185 4.9862 4.9862 5.3461 5.3461 5.6101 5.6101 5.8777 5.8777 6.1507 6.1507 6.4373 6.4373 6.6080 6.6080 6.7615 6.7615 6.9959 6.9959 7.1370 7.1370 7.2397 7.2397 7.3498 7.3498 8.1527 8.1527 8.5608 8.5608 9.0246 9.0246 9.1610 9.1610 9.5126 9.5126 9.6735 9.6735 10.5716 10.5716 10.6085 10.6085 10.9987 10.9987 k = 0.0000 0.0000 0.1123 ( 11828 PWs) bands (ev): -5.3232 -5.3232 -4.5806 -4.5806 -4.3533 -4.3533 -4.3333 -4.3333 -3.2622 -3.2622 -2.8640 -2.8640 -2.5212 -2.5212 -2.1098 -2.1098 1.4540 1.4540 1.5702 1.5702 1.7165 1.7165 1.9990 1.9990 2.1661 2.1661 2.3910 2.3910 2.4745 2.4745 2.7051 2.7051 2.9561 2.9561 3.0446 3.0446 3.1444 3.1444 3.1957 3.1957 3.3755 3.3755 3.4239 3.4239 3.5046 3.5046 3.5401 3.5401 3.6251 3.6251 3.6586 3.6586 3.7555 3.7555 3.7878 3.7878 4.0619 4.0619 4.1880 4.1880 4.3377 4.3377 4.3814 4.3814 4.6180 4.6180 4.6946 4.6946 4.9424 4.9424 5.2866 5.2866 5.5563 5.5563 5.8479 5.8479 6.1272 6.1272 6.4198 6.4198 6.6138 6.6138 6.7830 6.7830 7.0268 7.0268 7.1856 7.1856 7.2529 7.2529 7.3411 7.3411 8.1729 8.1729 8.5934 8.5934 9.0992 9.0992 9.1791 9.1791 9.5099 9.5099 9.6570 9.6570 10.5616 10.5616 10.6092 10.6092 10.9927 10.9927 k = 0.0000 0.0000 0.1264 ( 11828 PWs) bands (ev): -5.3045 -5.3045 -4.6179 -4.6179 -4.3552 -4.3552 -4.3365 -4.3365 -3.2258 -3.2258 -2.8407 -2.8407 -2.5265 -2.5265 -2.1567 -2.1567 1.4744 1.4744 1.6130 1.6130 1.7269 1.7269 2.0204 2.0204 2.1760 2.1760 2.3874 2.3874 2.4698 2.4698 2.7112 2.7112 2.9498 2.9498 3.0474 3.0474 3.1488 3.1488 3.1829 3.1829 3.3620 3.3620 3.4235 3.4235 3.5067 3.5067 3.5388 3.5388 3.6214 3.6214 3.6550 3.6550 3.7517 3.7517 3.7845 3.7845 4.0754 4.0754 4.1770 4.1770 4.3424 4.3424 4.3798 4.3798 4.6099 4.6099 4.6666 4.6666 4.9216 4.9216 5.2321 5.2321 5.5017 5.5017 5.8147 5.8147 6.1038 6.1038 6.3928 6.3928 6.6230 6.6230 6.7959 6.7959 7.0429 7.0429 7.2339 7.2339 7.2838 7.2838 7.3318 7.3318 8.1980 8.1980 8.6198 8.6198 9.1562 9.1562 9.2187 9.2187 9.5102 9.5102 9.6394 9.6394 10.5498 10.5498 10.6286 10.6286 10.9904 10.9904 k = 0.0000 0.0000 0.1404 ( 11821 PWs) bands (ev): -5.2837 -5.2837 -4.6567 -4.6567 -4.3573 -4.3573 -4.3397 -4.3397 -3.1865 -3.1865 -2.8166 -2.8166 -2.5328 -2.5328 -2.2066 -2.2066 1.4949 1.4949 1.6548 1.6548 1.7398 1.7398 2.0415 2.0415 2.1909 2.1909 2.3840 2.3840 2.4644 2.4644 2.7169 2.7169 2.9437 2.9437 3.0501 3.0501 3.1429 3.1429 3.1788 3.1788 3.3473 3.3473 3.4221 3.4221 3.5049 3.5049 3.5399 3.5399 3.6178 3.6178 3.6535 3.6535 3.7470 3.7470 3.7818 3.7818 4.0836 4.0836 4.1619 4.1619 4.3415 4.3415 4.3783 4.3783 4.5947 4.5947 4.6532 4.6532 4.9099 4.9099 5.1885 5.1885 5.4471 5.4471 5.7785 5.7785 6.0807 6.0807 6.3588 6.3588 6.6358 6.6358 6.8038 6.8038 7.0482 7.0482 7.2680 7.2680 7.3076 7.3076 7.3490 7.3490 8.2286 8.2286 8.6402 8.6402 9.1857 9.1857 9.2828 9.2828 9.5145 9.5145 9.6220 9.6220 10.5462 10.5462 10.6561 10.6561 10.9971 10.9971 k = 0.0000 0.0000 0.1544 ( 11823 PWs) bands (ev): -5.2610 -5.2610 -4.6964 -4.6964 -4.3593 -4.3593 -4.3431 -4.3431 -3.1444 -3.1444 -2.7923 -2.7923 -2.5401 -2.5401 -2.2588 -2.2588 1.5157 1.5157 1.6873 1.6873 1.7620 1.7620 2.0605 2.0605 2.2115 2.2115 2.3815 2.3815 2.4582 2.4582 2.7218 2.7218 2.9380 2.9380 3.0522 3.0522 3.1276 3.1276 3.1821 3.1821 3.3322 3.3322 3.4193 3.4193 3.4997 3.4997 3.5426 3.5426 3.6153 3.6153 3.6537 3.6537 3.7415 3.7415 3.7790 3.7790 4.0857 4.0857 4.1424 4.1424 4.3325 4.3325 4.3797 4.3797 4.5800 4.5800 4.6561 4.6561 4.8952 4.8952 5.1620 5.1620 5.3929 5.3929 5.7398 5.7398 6.0588 6.0588 6.3203 6.3203 6.6509 6.6509 6.8087 6.8087 7.0491 7.0491 7.2782 7.2782 7.3154 7.3154 7.4013 7.4013 8.2645 8.2645 8.6547 8.6547 9.2089 9.2089 9.3434 9.3434 9.5231 9.5231 9.6069 9.6069 10.5531 10.5531 10.6900 10.6900 11.0159 11.0159 k = 0.0000 0.0000 0.1685 ( 11819 PWs) bands (ev): -5.2362 -5.2362 -4.7368 -4.7368 -4.3612 -4.3612 -4.3464 -4.3464 -3.0998 -3.0998 -2.7680 -2.7680 -2.5487 -2.5487 -2.3128 -2.3128 1.5366 1.5366 1.7034 1.7034 1.7992 1.7992 2.0762 2.0762 2.2368 2.2368 2.3812 2.3812 2.4510 2.4510 2.7254 2.7254 2.9329 2.9329 3.0529 3.0529 3.1096 3.1096 3.1856 3.1856 3.3178 3.3178 3.4144 3.4144 3.4934 3.4934 3.5449 3.5449 3.6151 3.6151 3.6551 3.6551 3.7356 3.7356 3.7755 3.7755 4.0809 4.0809 4.1211 4.1211 4.3207 4.3207 4.3815 4.3815 4.5731 4.5731 4.6688 4.6688 4.8724 4.8724 5.1547 5.1547 5.3397 5.3397 5.6990 5.6990 6.0392 6.0392 6.2795 6.2795 6.6674 6.6674 6.8115 6.8115 7.0493 7.0493 7.2633 7.2633 7.3416 7.3416 7.4494 7.4494 8.3049 8.3049 8.6635 8.6635 9.2329 9.2329 9.3893 9.3893 9.5315 9.5315 9.5985 9.5985 10.5710 10.5710 10.7305 10.7305 11.0482 11.0482 k = 0.0000 0.0000 0.1825 ( 11818 PWs) bands (ev): -5.2096 -5.2096 -4.7776 -4.7776 -4.3628 -4.3628 -4.3496 -4.3496 -3.0529 -3.0529 -2.7441 -2.7441 -2.5589 -2.5589 -2.3678 -2.3678 1.5574 1.5574 1.7084 1.7084 1.8451 1.8451 2.0886 2.0886 2.2638 2.2638 2.3855 2.3855 2.4432 2.4432 2.7267 2.7267 2.9286 2.9286 3.0496 3.0496 3.0936 3.0936 3.1857 3.1857 3.3061 3.3061 3.4069 3.4069 3.4879 3.4879 3.5451 3.5451 3.6178 3.6178 3.6573 3.6573 3.7296 3.7296 3.7710 3.7710 4.0680 4.0680 4.1031 4.1031 4.3113 4.3113 4.3807 4.3807 4.5735 4.5735 4.6878 4.6878 4.8448 4.8448 5.1620 5.1620 5.2891 5.2891 5.6565 5.6565 6.0229 6.0229 6.2379 6.2379 6.6844 6.6844 6.8124 6.8124 7.0508 7.0508 7.2429 7.2429 7.3707 7.3707 7.4872 7.4872 8.3485 8.3485 8.6670 8.6670 9.2587 9.2587 9.4208 9.4208 9.5306 9.5306 9.6006 9.6006 10.5997 10.5997 10.7772 10.7772 11.0940 11.0940 k = 0.0000 0.0000 0.1966 ( 11816 PWs) bands (ev): -5.1811 -5.1811 -4.8184 -4.8184 -4.3641 -4.3641 -4.3527 -4.3527 -3.0039 -3.0039 -2.7207 -2.7207 -2.5711 -2.5711 -2.4229 -2.4229 1.5778 1.5778 1.7079 1.7079 1.8928 1.8928 2.0977 2.0977 2.2872 2.2872 2.3964 2.3964 2.4368 2.4368 2.7245 2.7245 2.9253 2.9253 3.0378 3.0378 3.0850 3.0850 3.1807 3.1807 3.2991 3.2991 3.3966 3.3966 3.4846 3.4846 3.5426 3.5426 3.6231 3.6231 3.6598 3.6598 3.7238 3.7238 3.7650 3.7650 4.0505 4.0505 4.0892 4.0892 4.3061 4.3061 4.3764 4.3764 4.5792 4.5792 4.7079 4.7079 4.8208 4.8208 5.1712 5.1712 5.2485 5.2485 5.6126 5.6126 6.0109 6.0109 6.1970 6.1970 6.7015 6.7015 6.8114 6.8114 7.0546 7.0546 7.2208 7.2208 7.3995 7.3995 7.5138 7.5138 8.3934 8.3934 8.6652 8.6652 9.2865 9.2865 9.4434 9.4434 9.5204 9.5204 9.6067 9.6067 10.6383 10.6383 10.8268 10.8268 11.1532 11.1532 k = 0.0000 0.0000 0.2106 ( 11826 PWs) bands (ev): -5.1509 -5.1509 -4.8589 -4.8589 -4.3649 -4.3649 -4.3556 -4.3556 -2.9532 -2.9532 -2.6980 -2.6980 -2.5868 -2.5868 -2.4766 -2.4766 1.5975 1.5975 1.7039 1.7039 1.9388 1.9388 2.1033 2.1033 2.3037 2.3037 2.4039 2.4039 2.4446 2.4446 2.7169 2.7169 2.9236 2.9236 3.0182 3.0182 3.0845 3.0845 3.1707 3.1707 3.2977 3.2977 3.3840 3.3840 3.4843 3.4843 3.5377 3.5377 3.6302 3.6302 3.6623 3.6623 3.7190 3.7190 3.7578 3.7578 4.0351 4.0351 4.0764 4.0764 4.3049 4.3049 4.3689 4.3689 4.5885 4.5885 4.7173 4.7173 4.8142 4.8142 5.1522 5.1522 5.2443 5.2443 5.5679 5.5679 6.0040 6.0040 6.1578 6.1578 6.7182 6.7182 6.8083 6.8083 7.0612 7.0612 7.1983 7.1983 7.4271 7.4271 7.5298 7.5298 8.4378 8.4378 8.6585 8.6585 9.3156 9.3156 9.4616 9.4616 9.5065 9.5065 9.6071 9.6071 10.6851 10.6851 10.8724 10.8724 11.2264 11.2264 k = 0.0000 0.0000 0.2246 ( 11832 PWs) bands (ev): -5.1190 -5.1190 -4.8990 -4.8990 -4.3654 -4.3654 -4.3582 -4.3582 -2.9009 -2.9009 -2.6762 -2.6762 -2.6087 -2.6087 -2.5255 -2.5255 1.6162 1.6162 1.6972 1.6972 1.9811 1.9811 2.1046 2.1046 2.3153 2.3153 2.3961 2.3961 2.4764 2.4764 2.7020 2.7020 2.9239 2.9239 2.9963 2.9963 3.0884 3.0884 3.1572 3.1572 3.3011 3.3011 3.3700 3.3700 3.4868 3.4868 3.5310 3.5310 3.6380 3.6380 3.6641 3.6641 3.7160 3.7160 3.7495 3.7495 4.0253 4.0253 4.0634 4.0634 4.3070 4.3070 4.3593 4.3593 4.6004 4.6004 4.7072 4.7072 4.8344 4.8344 5.1081 5.1081 5.2707 5.2707 5.5226 5.5226 6.0030 6.0030 6.1213 6.1213 6.7343 6.7343 6.8032 6.8032 7.0706 7.0706 7.1759 7.1759 7.4530 7.4530 7.5366 7.5366 8.4800 8.4800 8.6469 8.6469 9.3453 9.3453 9.4751 9.4751 9.4944 9.4944 9.5993 9.5993 10.7375 10.7375 10.9053 10.9053 11.3136 11.3136 k = 0.0000 0.0000 0.2387 ( 11832 PWs) bands (ev): -5.0855 -5.0855 -4.9384 -4.9384 -4.3653 -4.3653 -4.3604 -4.3604 -2.8475 -2.8475 -2.6557 -2.6557 -2.6415 -2.6415 -2.5642 -2.5642 1.6338 1.6338 1.6883 1.6883 2.0182 2.0182 2.1006 2.1006 2.3260 2.3260 2.3827 2.3827 2.5182 2.5182 2.6783 2.6783 2.9271 2.9271 2.9757 2.9757 3.0952 3.0952 3.1426 3.1426 3.3081 3.3081 3.3557 3.3557 3.4916 3.4916 3.5230 3.5230 3.6456 3.6456 3.6642 3.6642 3.7158 3.7158 3.7407 3.7407 4.0216 4.0216 4.0507 4.0507 4.3119 4.3119 4.3487 4.3487 4.6145 4.6145 4.6879 4.6879 4.8705 4.8705 5.0588 5.0588 5.3064 5.3064 5.4773 5.4773 6.0082 6.0082 6.0885 6.0885 6.7494 6.7494 6.7960 6.7960 7.0829 7.0829 7.1542 7.1542 7.4767 7.4767 7.5356 7.5356 8.5189 8.5189 8.6305 8.6305 9.3744 9.3744 9.4673 9.4673 9.5031 9.5031 9.5842 9.5842 10.7916 10.7916 10.9191 10.9191 11.4125 11.4125 k = 0.0000 0.0000 0.2527 ( 11838 PWs) bands (ev): -5.0506 -5.0506 -4.9769 -4.9769 -4.3648 -4.3648 -4.3623 -4.3623 -2.7934 -2.7934 -2.6879 -2.6879 -2.6343 -2.6343 -2.5919 -2.5919 1.6500 1.6500 1.6774 1.6774 2.0490 2.0490 2.0903 2.0903 2.3382 2.3382 2.3675 2.3675 2.5628 2.5628 2.6458 2.6458 2.9337 2.9337 2.9581 2.9581 3.1042 3.1042 3.1283 3.1283 3.3176 3.3176 3.3418 3.3418 3.4982 3.4982 3.5145 3.5145 3.6525 3.6525 3.6622 3.6622 3.7187 3.7187 3.7321 3.7321 4.0234 4.0234 4.0391 4.0391 4.3190 4.3190 4.3379 4.3379 4.6304 4.6304 4.6674 4.6674 4.9137 4.9137 5.0091 5.0091 5.3463 5.3463 5.4325 5.4325 6.0196 6.0196 6.0602 6.0602 6.7634 6.7634 6.7869 6.7869 7.0977 7.0977 7.1337 7.1337 7.4976 7.4976 7.5280 7.5280 8.5536 8.5536 8.6095 8.6095 9.4019 9.4019 9.4487 9.4487 9.5220 9.5220 9.5646 9.5646 10.8426 10.8426 10.9116 10.9116 11.5176 11.5176 k = 0.0000 0.0000 0.2668 ( 11840 PWs) bands (ev): -5.0143 -5.0143 -5.0143 -5.0143 -4.3638 -4.3638 -4.3638 -4.3638 -2.7395 -2.7395 -2.7395 -2.7395 -2.6139 -2.6139 -2.6139 -2.6139 1.6646 1.6646 1.6646 1.6646 2.0731 2.0731 2.0731 2.0731 2.3523 2.3523 2.3523 2.3523 2.6064 2.6064 2.6064 2.6064 2.9440 2.9440 2.9440 2.9440 3.1154 3.1154 3.1154 3.1154 3.3290 3.3290 3.3290 3.3290 3.5061 3.5061 3.5061 3.5061 3.6581 3.6581 3.6581 3.6581 3.7245 3.7245 3.7245 3.7245 4.0296 4.0296 4.0296 4.0296 4.3278 4.3278 4.3278 4.3278 4.6481 4.6481 4.6481 4.6481 4.9604 4.9604 4.9604 4.9604 5.3886 5.3886 5.3886 5.3886 6.0370 6.0370 6.0370 6.0370 6.7759 6.7759 6.7759 6.7759 7.1147 7.1147 7.1147 7.1147 7.5150 7.5150 7.5150 7.5150 8.5839 8.5839 8.5839 8.5839 9.4268 9.4268 9.4268 9.4268 9.5431 9.5431 9.5431 9.5431 10.8846 10.8846 10.8846 10.8846 11.6220 11.6220 k = 0.0000 0.0000 0.2668 ( 11840 PWs) bands (ev): -5.0143 -5.0143 -5.0143 -5.0143 -4.3638 -4.3638 -4.3638 -4.3638 -2.7395 -2.7395 -2.7395 -2.7395 -2.6139 -2.6139 -2.6139 -2.6139 1.6646 1.6646 1.6646 1.6646 2.0731 2.0731 2.0731 2.0731 2.3523 2.3523 2.3523 2.3523 2.6064 2.6064 2.6064 2.6064 2.9440 2.9440 2.9440 2.9440 3.1154 3.1154 3.1154 3.1154 3.3290 3.3290 3.3290 3.3290 3.5061 3.5061 3.5061 3.5061 3.6581 3.6581 3.6581 3.6581 3.7245 3.7245 3.7245 3.7245 4.0296 4.0296 4.0296 4.0296 4.3278 4.3278 4.3278 4.3278 4.6481 4.6481 4.6481 4.6481 4.9604 4.9604 4.9604 4.9604 5.3886 5.3886 5.3886 5.3886 6.0370 6.0370 6.0370 6.0370 6.7759 6.7759 6.7759 6.7759 7.1147 7.1147 7.1147 7.1147 7.5150 7.5150 7.5150 7.5150 8.5839 8.5839 8.5839 8.5839 9.4268 9.4268 9.4268 9.4268 9.5431 9.5431 9.5431 9.5431 10.8846 10.8846 10.8846 10.8846 11.6220 11.6220 k = 0.0000 0.0135 0.2668 ( 11841 PWs) bands (ev): -5.0179 -5.0179 -5.0094 -5.0094 -4.3927 -4.3927 -4.3363 -4.3363 -2.7789 -2.7789 -2.7018 -2.7018 -2.6260 -2.6260 -2.5992 -2.5992 1.6566 1.6566 1.6724 1.6724 2.0670 2.0670 2.0775 2.0775 2.3422 2.3422 2.3603 2.3603 2.5923 2.5923 2.6240 2.6240 2.9412 2.9412 2.9467 2.9467 3.1119 3.1119 3.1196 3.1196 3.3135 3.3135 3.3430 3.3430 3.4956 3.4956 3.5166 3.5166 3.6446 3.6446 3.6709 3.6709 3.7166 3.7166 3.7315 3.7315 4.0094 4.0094 4.0476 4.0476 4.3149 4.3149 4.3360 4.3360 4.6339 4.6339 4.6697 4.6697 4.9330 4.9330 4.9897 4.9897 5.3762 5.3762 5.4050 5.4050 6.0056 6.0056 6.0691 6.0691 6.7663 6.7663 6.7843 6.7843 7.0933 7.0933 7.1327 7.1327 7.5064 7.5064 7.5207 7.5207 8.5667 8.5667 8.6043 8.6043 9.4054 9.4054 9.4466 9.4466 9.5102 9.5102 9.5771 9.5771 10.8588 10.8588 10.9122 10.9122 11.6194 11.6194 k = 0.0000 0.0269 0.2668 ( 11844 PWs) bands (ev): -5.0201 -5.0201 -5.0030 -5.0030 -4.4228 -4.4228 -4.3105 -4.3105 -2.8195 -2.8195 -2.6665 -2.6665 -2.6356 -2.6356 -2.5814 -2.5814 1.6484 1.6484 1.6800 1.6800 2.0592 2.0592 2.0801 2.0801 2.3310 2.3310 2.3654 2.3654 2.5826 2.5826 2.6442 2.6442 2.9386 2.9386 2.9491 2.9491 3.1093 3.1093 3.1241 3.1241 3.2970 3.2970 3.3549 3.3549 3.4854 3.4854 3.5268 3.5268 3.6308 3.6308 3.6816 3.6816 3.7090 3.7090 3.7375 3.7375 3.9878 3.9878 4.0631 4.0631 4.2985 4.2985 4.3392 4.3392 4.6273 4.6273 4.6962 4.6962 4.9112 4.9112 5.0190 5.0190 5.3676 5.3676 5.4256 5.4256 5.9754 5.9754 6.1012 6.1012 6.7553 6.7553 6.7912 6.7912 7.0693 7.0693 7.1468 7.1468 7.4952 7.4952 7.5235 7.5235 8.5532 8.5532 8.6278 8.6278 9.3835 9.3835 9.4593 9.4593 9.4837 9.4837 9.6113 9.6113 10.8356 10.8356 10.9408 10.9408 11.6192 11.6192 k = 0.0000 0.0404 0.2668 ( 11837 PWs) bands (ev): -5.0209 -5.0209 -4.9952 -4.9952 -4.4538 -4.4538 -4.2865 -4.2865 -2.8608 -2.8608 -2.6447 -2.6447 -2.6323 -2.6323 -2.5603 -2.5603 1.6399 1.6399 1.6874 1.6874 2.0498 2.0498 2.0809 2.0809 2.3198 2.3198 2.3669 2.3669 2.5773 2.5773 2.6658 2.6658 2.9366 2.9366 2.9507 2.9507 3.1077 3.1077 3.1288 3.1288 3.2800 3.2800 3.3641 3.3641 3.4760 3.4760 3.5365 3.5365 3.6172 3.6172 3.6856 3.6856 3.7062 3.7062 3.7424 3.7424 3.9656 3.9656 4.0759 4.0759 4.2804 4.2804 4.3380 4.3380 4.6268 4.6268 4.7208 4.7208 4.9017 4.9017 5.0472 5.0472 5.3624 5.3624 5.4502 5.4502 5.9468 5.9468 6.1327 6.1327 6.7431 6.7431 6.7967 6.7967 7.0435 7.0435 7.1564 7.1564 7.4817 7.4817 7.5232 7.5232 8.5434 8.5434 8.6537 8.6537 9.3615 9.3615 9.4391 9.4391 9.4892 9.4892 9.6453 9.6453 10.8157 10.8157 10.9697 10.9697 11.6208 11.6208 k = 0.0000 0.0538 0.2668 ( 11836 PWs) bands (ev): -5.0206 -5.0206 -4.9859 -4.9859 -4.4856 -4.4856 -4.2644 -4.2644 -2.9026 -2.9026 -2.6496 -2.6496 -2.6034 -2.6034 -2.5359 -2.5359 1.6311 1.6311 1.6948 1.6948 2.0392 2.0392 2.0796 2.0796 2.3092 2.3092 2.3653 2.3653 2.5760 2.5760 2.6879 2.6879 2.9354 2.9354 2.9514 2.9514 3.1074 3.1074 3.1331 3.1331 3.2629 3.2629 3.3699 3.3699 3.4680 3.4680 3.5451 3.5451 3.6047 3.6047 3.6789 3.6789 3.7119 3.7119 3.7463 3.7463 3.9441 3.9441 4.0860 4.0860 4.2620 4.2620 4.3334 4.3334 4.6304 4.6304 4.7346 4.7346 4.9131 4.9131 5.0737 5.0737 5.3599 5.3599 5.4785 5.4785 5.9202 5.9202 6.1628 6.1628 6.7294 6.7294 6.8008 6.8008 7.0172 7.0172 7.1615 7.1615 7.4662 7.4662 7.5199 7.5199 8.5373 8.5373 8.6814 8.6814 9.3397 9.3397 9.4094 9.4094 9.5032 9.5032 9.6787 9.6787 10.7999 10.7999 10.9984 10.9984 11.6231 11.6231 k = 0.0000 0.0673 0.2668 ( 11836 PWs) bands (ev): -5.0192 -5.0192 -4.9752 -4.9752 -4.5178 -4.5178 -4.2443 -4.2443 -2.9446 -2.9446 -2.6535 -2.6535 -2.5766 -2.5766 -2.5087 -2.5087 1.6220 1.6220 1.7021 1.7021 2.0274 2.0274 2.0764 2.0764 2.2998 2.2998 2.3612 2.3612 2.5773 2.5773 2.7095 2.7095 2.9355 2.9355 2.9508 2.9508 3.1083 3.1083 3.1364 3.1364 3.2462 3.2462 3.3718 3.3718 3.4617 3.4617 3.5513 3.5513 3.5951 3.5951 3.6680 3.6680 3.7187 3.7187 3.7501 3.7501 3.9245 3.9245 4.0938 4.0938 4.2441 4.2441 4.3264 4.3264 4.6363 4.6363 4.7358 4.7358 4.9470 4.9470 5.0986 5.0986 5.3596 5.3596 5.5102 5.5102 5.8959 5.8959 6.1904 6.1904 6.7136 6.7136 6.8038 6.8038 6.9916 6.9916 7.1621 7.1621 7.4492 7.4492 7.5137 7.5137 8.5346 8.5346 8.7104 8.7104 9.3184 9.3184 9.3803 9.3803 9.5156 9.5156 9.7114 9.7114 10.7887 10.7887 11.0263 11.0263 11.6246 11.6246 k = 0.0000 0.0808 0.2668 ( 11834 PWs) bands (ev): -5.0169 -5.0169 -4.9631 -4.9631 -4.5500 -4.5500 -4.2263 -4.2263 -2.9865 -2.9865 -2.6559 -2.6559 -2.5514 -2.5514 -2.4801 -2.4801 1.6128 1.6128 1.7093 1.7093 2.0147 2.0147 2.0714 2.0714 2.2921 2.2921 2.3560 2.3560 2.5796 2.5796 2.7297 2.7297 2.9372 2.9372 2.9485 2.9485 3.1103 3.1103 3.1381 3.1381 3.2304 3.2304 3.3703 3.3703 3.4569 3.4569 3.5528 3.5528 3.5911 3.5911 3.6559 3.6559 3.7225 3.7225 3.7551 3.7551 3.9077 3.9077 4.0994 4.0994 4.2273 4.2273 4.3179 4.3179 4.6431 4.6431 4.7317 4.7317 4.9955 4.9955 5.1221 5.1221 5.3609 5.3609 5.5447 5.5447 5.8745 5.8745 6.2146 6.2146 6.6952 6.6952 6.8054 6.8054 6.9688 6.9688 7.1581 7.1581 7.4310 7.4310 7.5048 7.5048 8.5349 8.5349 8.7396 8.7396 9.2974 9.2974 9.3532 9.3532 9.5252 9.5252 9.7430 9.7430 10.7825 10.7825 11.0532 11.0532 11.6231 11.6231 k = 0.0000 0.0942 0.2668 ( 11830 PWs) bands (ev): -5.0138 -5.0138 -4.9496 -4.9496 -4.5819 -4.5819 -4.2104 -4.2104 -3.0283 -3.0283 -2.6570 -2.6570 -2.5272 -2.5272 -2.4512 -2.4512 1.6033 1.6033 1.7164 1.7164 2.0014 2.0014 2.0647 2.0647 2.2862 2.2862 2.3505 2.3505 2.5813 2.5813 2.7477 2.7477 2.9402 2.9402 2.9451 2.9451 3.1133 3.1133 3.1376 3.1376 3.2162 3.2162 3.3664 3.3664 3.4532 3.4532 3.5488 3.5488 3.5930 3.5930 3.6441 3.6441 3.7223 3.7223 3.7621 3.7621 3.8942 3.8942 4.1034 4.1034 4.2116 4.2116 4.3082 4.3082 4.6498 4.6498 4.7290 4.7290 5.0503 5.0503 5.1453 5.1453 5.3634 5.3634 5.5814 5.5814 5.8561 5.8561 6.2346 6.2346 6.6737 6.6737 6.8045 6.8045 6.9512 6.9512 7.1500 7.1500 7.4122 7.4122 7.4935 7.4935 8.5378 8.5378 8.7682 8.7682 9.2765 9.2765 9.3289 9.3289 9.5320 9.5320 9.7734 9.7734 10.7816 10.7816 11.0790 11.0790 11.6164 11.6164 k = 0.0000 0.1077 0.2668 ( 11823 PWs) bands (ev): -5.0104 -5.0104 -4.9348 -4.9348 -4.6129 -4.6129 -4.1967 -4.1967 -3.0696 -3.0696 -2.6570 -2.6570 -2.5035 -2.5035 -2.4227 -2.4227 1.5936 1.5936 1.7234 1.7234 1.9878 1.9878 2.0566 2.0566 2.2821 2.2821 2.3454 2.3454 2.5811 2.5811 2.7628 2.7628 2.9364 2.9364 2.9485 2.9485 3.1165 3.1165 3.1350 3.1350 3.2038 3.2038 3.3617 3.3617 3.4500 3.4500 3.5419 3.5419 3.5965 3.5965 3.6346 3.6346 3.7189 3.7189 3.7705 3.7705 3.8840 3.8840 4.1060 4.1060 4.1973 4.1973 4.2981 4.2981 4.6567 4.6567 4.7304 4.7304 5.1036 5.1036 5.1717 5.1717 5.3666 5.3666 5.6198 5.6198 5.8412 5.8412 6.2494 6.2494 6.6491 6.6491 6.7984 6.7984 6.9426 6.9426 7.1381 7.1381 7.3932 7.3932 7.4803 7.4803 8.5425 8.5425 8.7948 8.7948 9.2557 9.2557 9.3078 9.3078 9.5358 9.5358 9.8024 9.8024 10.7861 10.7861 11.1040 11.1040 11.6031 11.6031 k = 0.0000 0.1212 0.2668 ( 11813 PWs) bands (ev): -5.0070 -5.0070 -4.9187 -4.9187 -4.6426 -4.6426 -4.1850 -4.1850 -3.1102 -3.1102 -2.6564 -2.6564 -2.4801 -2.4801 -2.3951 -2.3951 1.5839 1.5839 1.7302 1.7302 1.9741 1.9741 2.0475 2.0475 2.2798 2.2798 2.3412 2.3412 2.5778 2.5778 2.7749 2.7749 2.9273 2.9273 2.9570 2.9570 3.1179 3.1179 3.1323 3.1323 3.1931 3.1931 3.3575 3.3575 3.4475 3.4475 3.5336 3.5336 3.5958 3.5958 3.6318 3.6318 3.7135 3.7135 3.7796 3.7796 3.8767 3.8767 4.1077 4.1077 4.1844 4.1844 4.2882 4.2882 4.6647 4.6647 4.7363 4.7363 5.1432 5.1432 5.2106 5.2106 5.3709 5.3709 5.6589 5.6589 5.8303 5.8303 6.2585 6.2585 6.6220 6.6220 6.7845 6.7845 6.9458 6.9458 7.1229 7.1229 7.3745 7.3745 7.4657 7.4657 8.5483 8.5483 8.8180 8.8180 9.2358 9.2358 9.2902 9.2902 9.5366 9.5366 9.8299 9.8299 10.7959 10.7959 11.1285 11.1285 11.5828 11.5828 k = 0.0000 0.1346 0.2668 ( 11810 PWs) bands (ev): -5.0041 -5.0041 -4.9013 -4.9013 -4.6702 -4.6702 -4.1753 -4.1753 -3.1501 -3.1501 -2.6553 -2.6553 -2.4572 -2.4572 -2.3686 -2.3686 1.5742 1.5742 1.7366 1.7366 1.9605 1.9605 2.0381 2.0381 2.2791 2.2791 2.3383 2.3383 2.5709 2.5709 2.7839 2.7839 2.9155 2.9155 2.9677 2.9677 3.1148 3.1148 3.1321 3.1321 3.1838 3.1838 3.3545 3.3545 3.4463 3.4463 3.5239 3.5239 3.5901 3.5901 3.6365 3.6365 3.7075 3.7075 3.7891 3.7891 3.8715 3.8715 4.1084 4.1084 4.1732 4.1732 4.2792 4.2792 4.6749 4.6749 4.7456 4.7456 5.1649 5.1649 5.2637 5.2637 5.3769 5.3769 5.6974 5.6974 5.8242 5.8242 6.2616 6.2616 6.5933 6.5933 6.7629 6.7629 6.9605 6.9605 7.1048 7.1048 7.3564 7.3564 7.4503 7.4503 8.5545 8.5545 8.8356 8.8356 9.2179 9.2179 9.2757 9.2757 9.5347 9.5347 9.8560 9.8560 10.8107 10.8107 11.1529 11.1529 11.5563 11.5563 k = 0.0000 0.1481 0.2668 ( 11809 PWs) bands (ev): -5.0027 -5.0027 -4.8828 -4.8828 -4.6947 -4.6947 -4.1675 -4.1675 -3.1889 -3.1889 -2.6541 -2.6541 -2.4350 -2.4350 -2.3431 -2.3431 1.5646 1.5646 1.7426 1.7426 1.9471 1.9471 2.0288 2.0288 2.2799 2.2799 2.3366 2.3366 2.5599 2.5599 2.7901 2.7901 2.9012 2.9012 2.9797 2.9797 3.1086 3.1086 3.1327 3.1327 3.1767 3.1767 3.3531 3.3531 3.4465 3.4465 3.5125 3.5125 3.5835 3.5835 3.6446 3.6446 3.7018 3.7018 3.7987 3.7987 3.8675 3.8675 4.1079 4.1079 4.1647 4.1647 4.2716 4.2716 4.6876 4.6876 4.7573 4.7573 5.1765 5.1765 5.3206 5.3206 5.3862 5.3862 5.7324 5.7324 5.8249 5.8249 6.2585 6.2585 6.5644 6.5644 6.7357 6.7357 6.9839 6.9839 7.0846 7.0846 7.3390 7.3390 7.4347 7.4347 8.5603 8.5603 8.8457 8.8457 9.2039 9.2039 9.2639 9.2639 9.5303 9.5303 9.8805 9.8805 10.8301 10.8301 11.1776 11.1776 11.5254 11.5254 k = 0.0000 0.1615 0.2668 ( 11820 PWs) bands (ev): -5.0034 -5.0034 -4.8631 -4.8631 -4.7153 -4.7153 -4.1615 -4.1615 -3.2266 -3.2266 -2.6532 -2.6532 -2.4140 -2.4140 -2.3183 -2.3183 1.5552 1.5552 1.7477 1.7477 1.9340 1.9340 2.0204 2.0204 2.2818 2.2818 2.3363 2.3363 2.5450 2.5450 2.7939 2.7939 2.8850 2.8850 2.9923 2.9923 3.1004 3.1004 3.1314 3.1314 3.1734 3.1734 3.3530 3.3530 3.4476 3.4476 3.5006 3.5006 3.5781 3.5781 3.6531 3.6531 3.6976 3.6976 3.8085 3.8085 3.8642 3.8642 4.1054 4.1054 4.1598 4.1598 4.2658 4.2658 4.7026 4.7026 4.7709 4.7709 5.1820 5.1820 5.3697 5.3697 5.4056 5.4056 5.7583 5.7583 5.8370 5.8370 6.2492 6.2492 6.5368 6.5368 6.7054 6.7054 7.0124 7.0124 7.0633 7.0633 7.3225 7.3225 7.4195 7.4195 8.5651 8.5651 8.8463 8.8463 9.1954 9.1954 9.2541 9.2541 9.5235 9.5235 9.9034 9.9034 10.8536 10.8536 11.2026 11.2026 11.4921 11.4921 k = 0.0000 0.1750 0.2668 ( 11816 PWs) bands (ev): -5.0074 -5.0074 -4.8426 -4.8426 -4.7309 -4.7309 -4.1571 -4.1571 -3.2629 -3.2629 -2.6527 -2.6527 -2.3947 -2.3947 -2.2941 -2.2941 1.5460 1.5460 1.7518 1.7518 1.9212 1.9212 2.0134 2.0134 2.2845 2.2845 2.3374 2.3374 2.5265 2.5265 2.7952 2.7952 2.8680 2.8680 3.0045 3.0045 3.0895 3.0895 3.1295 3.1295 3.1739 3.1739 3.3544 3.3544 3.4470 3.4470 3.4916 3.4916 3.5743 3.5743 3.6594 3.6594 3.6966 3.6966 3.8183 3.8183 3.8613 3.8613 4.1006 4.1006 4.1590 4.1590 4.2623 4.2623 4.7194 4.7194 4.7858 4.7858 5.1831 5.1831 5.3954 5.3954 5.4490 5.4490 5.7717 5.7717 5.8624 5.8624 6.2338 6.2338 6.5120 6.5120 6.6745 6.6745 7.0304 7.0304 7.0549 7.0549 7.3068 7.3068 7.4055 7.4055 8.5681 8.5681 8.8363 8.8363 9.1930 9.1930 9.2461 9.2461 9.5149 9.5149 9.9246 9.9246 10.8807 10.8807 11.2267 11.2267 11.4598 11.4598 k = 0.0000 0.1885 0.2668 ( 11837 PWs) bands (ev): -5.0153 -5.0153 -4.8211 -4.8211 -4.7406 -4.7406 -4.1543 -4.1543 -3.2977 -3.2977 -2.6531 -2.6531 -2.3777 -2.3777 -2.2701 -2.2701 1.5371 1.5371 1.7544 1.7544 1.9089 1.9089 2.0084 2.0084 2.2877 2.2877 2.3396 2.3396 2.5051 2.5051 2.7938 2.7938 2.8515 2.8515 3.0158 3.0158 3.0748 3.0748 3.1299 3.1299 3.1765 3.1765 3.3568 3.3568 3.4413 3.4413 3.4899 3.4899 3.5718 3.5718 3.6615 3.6615 3.7006 3.7006 3.8278 3.8278 3.8592 3.8592 4.0941 4.0941 4.1619 4.1619 4.2609 4.2609 4.7369 4.7369 4.8015 4.8015 5.1813 5.1813 5.4126 5.4126 5.4998 5.4998 5.7776 5.7776 5.8942 5.8942 6.2128 6.2128 6.4912 6.4912 6.6449 6.6449 7.0104 7.0104 7.0848 7.0848 7.2921 7.2921 7.3930 7.3930 8.5687 8.5687 8.8165 8.8165 9.1956 9.1956 9.2396 9.2396 9.5049 9.5049 9.9440 9.9440 10.9107 10.9107 11.2466 11.2466 11.4341 11.4341 k = 0.0000 0.1885 0.2668 ( 11837 PWs) bands (ev): -5.0153 -5.0153 -4.8211 -4.8211 -4.7406 -4.7406 -4.1543 -4.1543 -3.2977 -3.2977 -2.6531 -2.6531 -2.3777 -2.3777 -2.2701 -2.2701 1.5371 1.5371 1.7544 1.7544 1.9089 1.9089 2.0084 2.0084 2.2877 2.2877 2.3396 2.3396 2.5051 2.5051 2.7938 2.7938 2.8515 2.8515 3.0158 3.0158 3.0748 3.0748 3.1299 3.1299 3.1765 3.1765 3.3568 3.3568 3.4413 3.4413 3.4899 3.4899 3.5718 3.5718 3.6615 3.6615 3.7006 3.7006 3.8278 3.8278 3.8592 3.8592 4.0941 4.0941 4.1619 4.1619 4.2609 4.2609 4.7369 4.7369 4.8015 4.8015 5.1813 5.1813 5.4126 5.4126 5.4998 5.4998 5.7776 5.7776 5.8942 5.8942 6.2128 6.2128 6.4912 6.4912 6.6449 6.6449 7.0104 7.0104 7.0848 7.0848 7.2921 7.2921 7.3930 7.3930 8.5687 8.5687 8.8165 8.8165 9.1956 9.1956 9.2396 9.2396 9.5049 9.5049 9.9440 9.9440 10.9107 10.9107 11.2466 11.2466 11.4341 11.4341 k = 0.0000 0.1934 0.2534 ( 11831 PWs) bands (ev): -5.0083 -5.0083 -4.8447 -4.8447 -4.7302 -4.7302 -4.1616 -4.1616 -3.2557 -3.2557 -2.6449 -2.6449 -2.3883 -2.3883 -2.2935 -2.2935 1.5403 1.5403 1.7373 1.7373 1.9061 1.9061 1.9715 1.9715 2.2800 2.2800 2.3384 2.3384 2.4712 2.4712 2.7705 2.7705 2.8420 2.8420 3.0229 3.0229 3.0667 3.0667 3.1316 3.1316 3.1871 3.1871 3.3860 3.3860 3.4439 3.4439 3.5096 3.5096 3.5742 3.5742 3.6626 3.6626 3.7147 3.7147 3.8325 3.8325 3.8846 3.8846 4.0910 4.0910 4.1844 4.1844 4.2744 4.2744 4.7522 4.7522 4.8323 4.8323 5.2000 5.2000 5.4010 5.4010 5.5186 5.5186 5.7835 5.7835 5.8977 5.8977 6.2148 6.2148 6.4760 6.4760 6.6211 6.6211 7.0026 7.0026 7.1405 7.1405 7.2991 7.2991 7.3855 7.3855 8.5314 8.5314 8.7631 8.7631 9.1795 9.1795 9.2428 9.2428 9.4783 9.4783 9.9349 9.9349 10.8536 10.8536 11.2089 11.2089 11.4317 11.4317 k = 0.0000 0.1983 0.2401 ( 11843 PWs) bands (ev): -5.0057 -5.0057 -4.8673 -4.8673 -4.7136 -4.7136 -4.1706 -4.1706 -3.2118 -3.2118 -2.6371 -2.6371 -2.4008 -2.4008 -2.3172 -2.3172 1.5431 1.5431 1.7176 1.7176 1.9000 1.9000 1.9376 1.9376 2.2737 2.2737 2.3384 2.3384 2.4350 2.4350 2.7467 2.7467 2.8326 2.8326 3.0163 3.0163 3.0640 3.0640 3.1333 3.1333 3.2028 3.2028 3.4067 3.4067 3.4458 3.4458 3.5292 3.5292 3.5774 3.5774 3.6623 3.6623 3.7261 3.7261 3.8317 3.8317 3.9267 3.9267 4.0883 4.0883 4.2093 4.2093 4.2968 4.2968 4.7590 4.7590 4.8769 4.8769 5.2246 5.2246 5.3905 5.3905 5.5399 5.5399 5.7875 5.7875 5.9068 5.9068 6.2132 6.2132 6.4584 6.4584 6.5956 6.5956 6.9924 6.9924 7.1956 7.1956 7.3026 7.3026 7.3769 7.3769 8.4940 8.4940 8.7012 8.7012 9.1607 9.1607 9.2483 9.2483 9.4588 9.4588 9.9184 9.9184 10.7988 10.7988 11.1662 11.1662 11.4265 11.4265 k = 0.0000 0.2033 0.2268 ( 11834 PWs) bands (ev): -5.0063 -5.0063 -4.8889 -4.8889 -4.6919 -4.6919 -4.1815 -4.1815 -3.1663 -3.1663 -2.6296 -2.6296 -2.4148 -2.4148 -2.3414 -2.3414 1.5456 1.5456 1.6962 1.6962 1.8822 1.8822 1.9166 1.9166 2.2682 2.2682 2.3395 2.3395 2.3980 2.3980 2.7224 2.7224 2.8237 2.8237 3.0001 3.0001 3.0679 3.0679 3.1344 3.1344 3.2196 3.2196 3.4196 3.4196 3.4482 3.4482 3.5441 3.5441 3.5836 3.5836 3.6631 3.6631 3.7332 3.7332 3.8286 3.8286 3.9738 3.9738 4.0865 4.0865 4.2380 4.2380 4.3290 4.3290 4.7649 4.7649 4.9267 4.9267 5.2554 5.2554 5.3825 5.3825 5.5638 5.5638 5.7923 5.7923 5.9189 5.9189 6.2095 6.2095 6.4391 6.4391 6.5685 6.5685 6.9775 6.9775 7.2376 7.2376 7.3021 7.3021 7.3741 7.3741 8.4599 8.4599 8.6373 8.6373 9.1418 9.1418 9.2536 9.2536 9.4460 9.4460 9.8949 9.8949 10.7471 10.7471 11.1155 11.1155 11.4168 11.4168 k = 0.0000 0.2082 0.2134 ( 11827 PWs) bands (ev): -5.0090 -5.0090 -4.9091 -4.9091 -4.6663 -4.6663 -4.1942 -4.1942 -3.1196 -3.1196 -2.6222 -2.6222 -2.4297 -2.4297 -2.3666 -2.3666 1.5477 1.5477 1.6743 1.6743 1.8538 1.8538 1.9081 1.9081 2.2633 2.2633 2.3401 2.3401 2.3637 2.3637 2.6970 2.6970 2.8159 2.8159 2.9811 2.9811 3.0738 3.0738 3.1354 3.1354 3.2357 3.2357 3.4268 3.4268 3.4507 3.4507 3.5508 3.5508 3.5949 3.5949 3.6654 3.6654 3.7374 3.7374 3.8244 3.8244 4.0139 4.0139 4.0858 4.0858 4.2733 4.2733 4.3705 4.3705 4.7742 4.7742 4.9763 4.9763 5.2909 5.2909 5.3797 5.3797 5.5902 5.5902 5.8003 5.8003 5.9320 5.9320 6.2050 6.2050 6.4187 6.4187 6.5396 6.5396 6.9537 6.9537 7.2514 7.2514 7.3009 7.3009 7.3842 7.3842 8.4320 8.4320 8.5793 8.5793 9.1233 9.1233 9.2577 9.2577 9.4390 9.4390 9.8651 9.8651 10.6991 10.6991 11.0542 11.0542 11.4034 11.4034 k = 0.0000 0.2131 0.2001 ( 11824 PWs) bands (ev): -5.0129 -5.0129 -4.9279 -4.9279 -4.6378 -4.6378 -4.2087 -4.2087 -3.0718 -3.0718 -2.6149 -2.6149 -2.4454 -2.4454 -2.3931 -2.3931 1.5493 1.5493 1.6527 1.6527 1.8259 1.8259 1.9016 1.9016 2.2586 2.2586 2.3219 2.3219 2.3519 2.3519 2.6703 2.6703 2.8102 2.8102 2.9620 2.9620 3.0798 3.0798 3.1365 3.1365 3.2505 3.2505 3.4299 3.4299 3.4534 3.4534 3.5510 3.5510 3.6093 3.6093 3.6694 3.6694 3.7399 3.7399 3.8196 3.8196 4.0402 4.0402 4.0865 4.0865 4.3136 4.3136 4.4197 4.4197 4.7909 4.7909 5.0218 5.0218 5.3223 5.3223 5.3918 5.3918 5.6190 5.6190 5.8131 5.8131 5.9448 5.9448 6.2007 6.2007 6.3979 6.3979 6.5090 6.5090 6.9165 6.9165 7.2420 7.2420 7.3015 7.3015 7.3959 7.3959 8.4123 8.4123 8.5354 8.5354 9.1060 9.1060 9.2607 9.2607 9.4365 9.4365 9.8293 9.8293 10.6551 10.6551 10.9830 10.9830 11.3899 11.3899 k = 0.0000 0.2181 0.1868 ( 11820 PWs) bands (ev): -5.0171 -5.0171 -4.9453 -4.9453 -4.6075 -4.6075 -4.2251 -4.2251 -3.0234 -3.0234 -2.6077 -2.6077 -2.4615 -2.4615 -2.4210 -2.4210 1.5502 1.5502 1.6323 1.6323 1.8020 1.8020 1.8937 1.8937 2.2538 2.2538 2.2928 2.2928 2.3567 2.3567 2.6422 2.6422 2.8067 2.8067 2.9435 2.9435 3.0857 3.0857 3.1374 3.1374 3.2642 3.2642 3.4291 3.4291 3.4569 3.4569 3.5476 3.5476 3.6237 3.6237 3.6746 3.6746 3.7418 3.7418 3.8143 3.8143 4.0541 4.0541 4.0880 4.0880 4.3534 4.3534 4.4711 4.4711 4.8209 4.8209 5.0606 5.0606 5.3360 5.3360 5.4312 5.4312 5.6499 5.6499 5.8320 5.8320 5.9570 5.9570 6.1967 6.1967 6.3776 6.3776 6.4765 6.4765 6.8635 6.8635 7.2289 7.2289 7.3002 7.3002 7.3904 7.3904 8.4037 8.4037 8.5110 8.5110 9.0905 9.0905 9.2625 9.2625 9.4372 9.4372 9.7883 9.7883 10.6156 10.6156 10.9062 10.9062 11.3800 11.3800 k = 0.0000 0.2230 0.1735 ( 11829 PWs) bands (ev): -5.0209 -5.0209 -4.9611 -4.9611 -4.5761 -4.5761 -4.2434 -4.2434 -2.9745 -2.9745 -2.6004 -2.6004 -2.4788 -2.4788 -2.4497 -2.4497 1.5504 1.5504 1.6137 1.6137 1.7833 1.7833 1.8835 1.8835 2.2485 2.2485 2.2677 2.2677 2.3644 2.3644 2.6132 2.6132 2.8057 2.8057 2.9259 2.9259 3.0915 3.0915 3.1378 3.1378 3.2773 3.2773 3.4248 3.4248 3.4615 3.4615 3.5424 3.5424 3.6369 3.6369 3.6801 3.6801 3.7435 3.7435 3.8087 3.8087 4.0607 4.0607 4.0891 4.0891 4.3893 4.3893 4.5145 4.5145 4.8695 4.8695 5.0920 5.0920 5.3414 5.3414 5.4849 5.4849 5.6818 5.6818 5.8575 5.8575 5.9695 5.9695 6.1922 6.1922 6.3594 6.3594 6.4426 6.4426 6.7974 6.7974 7.2195 7.2195 7.2948 7.2948 7.3599 7.3599 8.4095 8.4095 8.5053 8.5053 9.0779 9.0779 9.2627 9.2627 9.4397 9.4397 9.7427 9.7427 10.5813 10.5813 10.8286 10.8286 11.3749 11.3749 k = 0.0000 0.2279 0.1601 ( 11830 PWs) bands (ev): -5.0241 -5.0241 -4.9753 -4.9753 -4.5441 -4.5441 -4.2635 -4.2635 -2.9256 -2.9256 -2.5928 -2.5928 -2.5000 -2.5000 -2.4762 -2.4762 1.5500 1.5500 1.5974 1.5974 1.7705 1.7705 1.8705 1.8705 2.2415 2.2415 2.2497 2.2497 2.3741 2.3741 2.5840 2.5840 2.8069 2.8069 2.9091 2.9091 3.0970 3.0970 3.1375 3.1375 3.2902 3.2902 3.4176 3.4176 3.4671 3.4671 3.5363 3.5363 3.6487 3.6487 3.6852 3.6852 3.7456 3.7456 3.8028 3.8028 4.0642 4.0642 4.0889 4.0889 4.4211 4.4211 4.5427 4.5427 4.9361 4.9361 5.1168 5.1168 5.3497 5.3497 5.5382 5.5382 5.7122 5.7122 5.8879 5.8879 5.9840 5.9840 6.1850 6.1850 6.3446 6.3446 6.4094 6.4094 6.7261 6.7261 7.2097 7.2097 7.2750 7.2750 7.3194 7.3194 8.4294 8.4294 8.5137 8.5137 9.0701 9.0701 9.2608 9.2608 9.4433 9.4433 9.6939 9.6939 10.5526 10.5526 10.7549 10.7549 11.3741 11.3741 k = 0.0000 0.2329 0.1468 ( 11833 PWs) bands (ev): -5.0261 -5.0261 -4.9878 -4.9878 -4.5121 -4.5121 -4.2854 -4.2854 -2.8768 -2.8768 -2.5851 -2.5851 -2.5294 -2.5294 -2.4960 -2.4960 1.5491 1.5491 1.5834 1.5834 1.7637 1.7637 1.8551 1.8551 2.2311 2.2311 2.2408 2.2408 2.3857 2.3857 2.5551 2.5551 2.8102 2.8102 2.8934 2.8934 3.1025 3.1025 3.1363 3.1363 3.3033 3.3033 3.4083 3.4083 3.4733 3.4733 3.5295 3.5295 3.6590 3.6590 3.6892 3.6892 3.7485 3.7485 3.7967 3.7967 4.0665 4.0665 4.0874 4.0874 4.4493 4.4493 4.5562 4.5562 5.0102 5.0102 5.1361 5.1361 5.3684 5.3684 5.5835 5.5835 5.7383 5.7383 5.9167 5.9167 6.0017 6.0017 6.1719 6.1719 6.3329 6.3329 6.3848 6.3848 6.6611 6.6611 7.1650 7.1650 7.2463 7.2463 7.3020 7.3020 8.4582 8.4582 8.5305 8.5305 9.0694 9.0694 9.2553 9.2553 9.4478 9.4478 9.6438 9.6438 10.5305 10.5305 10.6883 10.6883 11.3767 11.3767 k = 0.0000 0.2378 0.1335 ( 11851 PWs) bands (ev): -5.0270 -5.0270 -4.9985 -4.9985 -4.4802 -4.4802 -4.3090 -4.3090 -2.8285 -2.8285 -2.5782 -2.5782 -2.5636 -2.5636 -2.5113 -2.5113 1.5481 1.5481 1.5719 1.5719 1.7626 1.7626 1.8380 1.8380 2.2230 2.2230 2.2348 2.2348 2.3994 2.3994 2.5272 2.5272 2.8155 2.8155 2.8786 2.8786 3.1079 3.1079 3.1341 3.1341 3.3167 3.3167 3.3973 3.3973 3.4799 3.4799 3.5224 3.5224 3.6679 3.6679 3.6914 3.6914 3.7525 3.7525 3.7903 3.7903 4.0687 4.0687 4.0851 4.0851 4.4742 4.4742 4.5591 4.5591 5.0761 5.0761 5.1505 5.1505 5.4056 5.4056 5.6174 5.6174 5.7584 5.7584 5.9333 5.9333 6.0168 6.0168 6.1507 6.1507 6.3248 6.3248 6.3794 6.3794 6.6158 6.6158 7.0702 7.0702 7.2445 7.2445 7.2933 7.2933 8.4895 8.4895 8.5492 8.5492 9.0786 9.0786 9.2445 9.2445 9.4534 9.4534 9.5951 9.5951 10.5157 10.5157 10.6310 10.6310 11.3819 11.3819 k = 0.0000 0.2427 0.1202 ( 11857 PWs) bands (ev): -5.0263 -5.0263 -5.0075 -5.0075 -4.4490 -4.4490 -4.3342 -4.3342 -2.7810 -2.7810 -2.6051 -2.6051 -2.5669 -2.5669 -2.5246 -2.5246 1.5479 1.5479 1.5628 1.5628 1.7668 1.7668 1.8204 1.8204 2.2192 2.2192 2.2294 2.2294 2.4153 2.4153 2.5007 2.5007 2.8225 2.8225 2.8649 2.8649 3.1132 3.1132 3.1311 3.1311 3.3304 3.3304 3.3851 3.3851 3.4867 3.4867 3.5153 3.5153 3.6755 3.6755 3.6916 3.6916 3.7576 3.7576 3.7836 3.7836 4.0709 4.0709 4.0822 4.0822 4.4963 4.4963 4.5547 4.5547 5.1218 5.1218 5.1599 5.1599 5.4652 5.4652 5.6362 5.6362 5.7751 5.7751 5.9230 5.9230 6.0271 6.0271 6.1241 6.1241 6.3292 6.3292 6.3844 6.3844 6.6081 6.6081 6.9587 6.9587 7.2507 7.2507 7.2853 7.2853 8.5186 8.5186 8.5630 8.5630 9.0990 9.0990 9.2259 9.2259 9.4611 9.4611 9.5515 9.5515 10.5092 10.5092 10.5844 10.5844 11.3895 11.3895 k = 0.0000 0.2477 0.1068 ( 11875 PWs) bands (ev): -5.0241 -5.0241 -5.0148 -5.0148 -4.4185 -4.4185 -4.3610 -4.3610 -2.7346 -2.7346 -2.6462 -2.6462 -2.5578 -2.5578 -2.5366 -2.5366 1.5488 1.5488 1.5560 1.5560 1.7756 1.7756 1.8034 1.8034 2.2187 2.2187 2.2246 2.2246 2.4333 2.4333 2.4761 2.4761 2.8310 2.8310 2.8524 2.8524 3.1182 3.1182 3.1273 3.1273 3.3443 3.3443 3.3719 3.3719 3.4937 3.4937 3.5080 3.5080 3.6817 3.6817 3.6899 3.6899 3.7636 3.7636 3.7768 3.7768 4.0734 4.0734 4.0792 4.0792 4.5156 4.5156 4.5453 4.5453 5.1474 5.1474 5.1634 5.1634 5.5371 5.5371 5.6331 5.6331 5.7960 5.7960 5.8803 5.8803 6.0445 6.0445 6.0964 6.0964 6.3450 6.3450 6.3801 6.3801 6.6519 6.6519 6.8442 6.8442 7.2591 7.2591 7.2769 7.2769 8.5428 8.5428 8.5670 8.5670 9.1293 9.1293 9.1987 9.1987 9.4726 9.4726 9.5161 9.5161 10.5120 10.5120 10.5491 10.5491 11.3991 11.3991 k = 0.0000 0.2526 0.0935 ( 11868 PWs) bands (ev): -5.0203 -5.0203 -5.0203 -5.0203 -4.3891 -4.3891 -4.3891 -4.3891 -2.6895 -2.6895 -2.6895 -2.6895 -2.5476 -2.5476 -2.5476 -2.5476 1.5514 1.5514 1.5514 1.5514 1.7881 1.7881 1.7881 1.7881 2.2208 2.2208 2.2208 2.2208 2.4536 2.4536 2.4536 2.4536 2.8411 2.8411 2.8411 2.8411 3.1230 3.1230 3.1230 3.1230 3.3583 3.3583 3.3583 3.3583 3.5008 3.5008 3.5008 3.5008 3.6866 3.6866 3.6866 3.6866 3.7701 3.7701 3.7701 3.7701 4.0762 4.0762 4.0762 4.0762 4.5321 4.5321 4.5321 4.5321 5.1598 5.1598 5.1598 5.1598 5.5994 5.5994 5.5994 5.5994 5.8308 5.8308 5.8308 5.8308 6.0691 6.0691 6.0691 6.0691 6.3643 6.3643 6.3643 6.3643 6.7373 6.7373 6.7373 6.7373 7.2681 7.2681 7.2681 7.2681 8.5598 8.5598 8.5598 8.5598 9.1647 9.1647 9.1647 9.1647 9.4902 9.4902 9.4902 9.4902 10.5251 10.5251 10.5251 10.5251 11.4105 11.4105 k = 0.0000 0.2526 0.0935 ( 11868 PWs) bands (ev): -5.0203 -5.0203 -5.0203 -5.0203 -4.3891 -4.3891 -4.3891 -4.3891 -2.6895 -2.6895 -2.6895 -2.6895 -2.5476 -2.5476 -2.5476 -2.5476 1.5514 1.5514 1.5514 1.5514 1.7881 1.7881 1.7881 1.7881 2.2208 2.2208 2.2208 2.2208 2.4536 2.4536 2.4536 2.4536 2.8411 2.8411 2.8411 2.8411 3.1230 3.1230 3.1230 3.1230 3.3583 3.3583 3.3583 3.3583 3.5008 3.5008 3.5008 3.5008 3.6866 3.6866 3.6866 3.6866 3.7701 3.7701 3.7701 3.7701 4.0762 4.0762 4.0762 4.0762 4.5321 4.5321 4.5321 4.5321 5.1598 5.1598 5.1598 5.1598 5.5994 5.5994 5.5994 5.5994 5.8308 5.8308 5.8308 5.8308 6.0691 6.0691 6.0691 6.0691 6.3643 6.3643 6.3643 6.3643 6.7373 6.7373 6.7373 6.7373 7.2681 7.2681 7.2681 7.2681 8.5598 8.5598 8.5598 8.5598 9.1647 9.1647 9.1647 9.1647 9.4902 9.4902 9.4902 9.4902 10.5251 10.5251 10.5251 10.5251 11.4105 11.4105 k = 0.0139 0.2526 0.0935 ( 11860 PWs) bands (ev): -5.0195 -5.0195 -5.0195 -5.0195 -4.3885 -4.3885 -4.3885 -4.3885 -2.6899 -2.6899 -2.6890 -2.6890 -2.5486 -2.5486 -2.5477 -2.5477 1.5509 1.5509 1.5516 1.5516 1.7865 1.7865 1.7906 1.7906 2.2133 2.2133 2.2284 2.2284 2.4526 2.4526 2.4541 2.4541 2.8370 2.8370 2.8447 2.8447 3.1227 3.1227 3.1234 3.1234 3.3564 3.3564 3.3594 3.3594 3.5008 3.5008 3.5013 3.5013 3.6836 3.6836 3.6896 3.6896 3.7694 3.7694 3.7704 3.7704 4.0707 4.0707 4.0812 4.0812 4.5176 4.5176 4.5396 4.5396 5.1410 5.1410 5.1629 5.1629 5.5883 5.5883 5.6067 5.6067 5.8215 5.8215 5.8363 5.8363 6.0715 6.0715 6.0766 6.0766 6.3665 6.3665 6.3749 6.3749 6.7379 6.7379 6.7400 6.7400 7.2655 7.2655 7.2673 7.2673 8.5546 8.5546 8.5561 8.5561 9.1631 9.1631 9.1649 9.1649 9.4835 9.4835 9.4961 9.4961 10.5281 10.5281 10.5319 10.5319 11.4101 11.4103 k = 0.0278 0.2526 0.0935 ( 11860 PWs) bands (ev): -5.0173 -5.0173 -5.0172 -5.0172 -4.3865 -4.3865 -4.3864 -4.3864 -2.6904 -2.6904 -2.6885 -2.6885 -2.5507 -2.5507 -2.5487 -2.5487 1.5503 1.5503 1.5518 1.5518 1.7859 1.7859 1.7940 1.7940 2.2060 2.2060 2.2362 2.2362 2.4509 2.4509 2.4541 2.4541 2.8327 2.8327 2.8480 2.8480 3.1228 3.1228 3.1240 3.1240 3.3540 3.3540 3.3596 3.3596 3.5010 3.5010 3.5019 3.5019 3.6805 3.6805 3.6927 3.6927 3.7683 3.7683 3.7702 3.7702 4.0647 4.0647 4.0854 4.0854 4.4969 4.4969 4.5398 4.5398 5.1082 5.1082 5.1499 5.1499 5.5753 5.5753 5.6094 5.6094 5.8100 5.8100 5.8372 5.8372 6.0817 6.0817 6.0936 6.0936 6.3803 6.3803 6.3973 6.3973 6.7413 6.7413 6.7469 6.7469 7.2596 7.2596 7.2640 7.2640 8.5408 8.5408 8.5436 8.5436 9.1601 9.1601 9.1639 9.1639 9.4761 9.4761 9.5008 9.5008 10.5407 10.5407 10.5481 10.5481 11.4153 11.4153 k = 0.0417 0.2526 0.0935 ( 11858 PWs) bands (ev): -5.0134 -5.0134 -5.0133 -5.0133 -4.3832 -4.3832 -4.3831 -4.3831 -2.6908 -2.6908 -2.6879 -2.6879 -2.5537 -2.5537 -2.5507 -2.5507 1.5494 1.5494 1.5517 1.5517 1.7862 1.7862 1.7980 1.7980 2.1988 2.1988 2.2441 2.2441 2.4483 2.4483 2.4539 2.4539 2.8282 2.8282 2.8508 2.8508 3.1232 3.1232 3.1246 3.1246 3.3514 3.3514 3.3588 3.3588 3.5017 3.5017 3.5027 3.5027 3.6772 3.6772 3.6958 3.6958 3.7667 3.7667 3.7697 3.7697 4.0585 4.0585 4.0885 4.0885 4.4709 4.4709 4.5328 4.5328 5.0637 5.0637 5.1221 5.1221 5.5623 5.5623 5.6079 5.6079 5.7989 5.7989 5.8348 5.8348 6.0958 6.0958 6.1166 6.1166 6.4027 6.4027 6.4284 6.4284 6.7474 6.7474 6.7590 6.7590 7.2512 7.2512 7.2597 7.2597 8.5185 8.5185 8.5221 8.5221 9.1567 9.1567 9.1627 9.1627 9.4680 9.4680 9.5039 9.5039 10.5617 10.5617 10.5723 10.5723 11.4240 11.4240 k = 0.0556 0.2526 0.0935 ( 11846 PWs) bands (ev): -5.0081 -5.0081 -5.0079 -5.0079 -4.3786 -4.3786 -4.3784 -4.3784 -2.6912 -2.6912 -2.6873 -2.6873 -2.5577 -2.5577 -2.5537 -2.5537 1.5482 1.5482 1.5516 1.5516 1.7876 1.7876 1.8027 1.8027 2.1917 2.1917 2.2521 2.2521 2.4449 2.4449 2.4536 2.4536 2.8235 2.8235 2.8532 2.8532 3.1240 3.1240 3.1251 3.1251 3.3486 3.3486 3.3567 3.3567 3.5026 3.5026 3.5035 3.5035 3.6736 3.6736 3.6989 3.6989 3.7646 3.7646 3.7689 3.7689 4.0520 4.0520 4.0899 4.0899 4.4411 4.4411 4.5191 4.5191 5.0102 5.0102 5.0819 5.0819 5.5506 5.5506 5.6036 5.6036 5.7900 5.7900 5.8310 5.8310 6.1105 6.1105 6.1407 6.1407 6.4298 6.4298 6.4632 6.4632 6.7572 6.7572 6.7776 6.7776 7.2417 7.2417 7.2565 7.2565 8.4881 8.4881 8.4922 8.4922 9.1537 9.1537 9.1621 9.1621 9.4589 9.4589 9.5049 9.5049 10.5893 10.5893 10.6026 10.6026 11.4327 11.4327 k = 0.0694 0.2526 0.0935 ( 11844 PWs) bands (ev): -5.0012 -5.0012 -5.0010 -5.0010 -4.3727 -4.3727 -4.3725 -4.3725 -2.6918 -2.6918 -2.6869 -2.6869 -2.5627 -2.5627 -2.5576 -2.5576 1.5468 1.5468 1.5514 1.5514 1.7899 1.7899 1.8078 1.8078 2.1847 2.1847 2.2602 2.2602 2.4404 2.4404 2.4533 2.4533 2.8188 2.8188 2.8550 2.8550 3.1252 3.1252 3.1254 3.1254 3.3460 3.3460 3.3535 3.3535 3.5037 3.5037 3.5042 3.5042 3.6693 3.6693 3.7019 3.7019 3.7622 3.7622 3.7679 3.7679 4.0451 4.0451 4.0888 4.0888 4.4093 4.4093 4.4994 4.4994 4.9501 4.9501 5.0327 5.0327 5.5404 5.5404 5.5976 5.5976 5.7845 5.7845 5.8273 5.8273 6.1224 6.1224 6.1609 6.1609 6.4578 6.4578 6.4955 6.4955 6.7732 6.7732 6.8033 6.8033 7.2329 7.2329 7.2560 7.2560 8.4505 8.4505 8.4546 8.4546 9.1518 9.1518 9.1626 9.1626 9.4489 9.4489 9.5041 9.5041 10.6207 10.6207 10.6361 10.6361 11.4374 11.4375 k = 0.0833 0.2526 0.0935 ( 11830 PWs) bands (ev): -4.9929 -4.9929 -4.9927 -4.9927 -4.3656 -4.3656 -4.3653 -4.3653 -2.6926 -2.6926 -2.6866 -2.6866 -2.5685 -2.5685 -2.5623 -2.5623 1.5452 1.5452 1.5511 1.5511 1.7933 1.7933 1.8132 1.8132 2.1778 2.1778 2.2681 2.2681 2.4350 2.4350 2.4531 2.4531 2.8140 2.8140 2.8563 2.8563 3.1254 3.1254 3.1267 3.1267 3.3436 3.3436 3.3492 3.3492 3.5048 3.5048 3.5048 3.5048 3.6642 3.6642 3.7044 3.7044 3.7594 3.7594 3.7668 3.7668 4.0380 4.0380 4.0845 4.0845 4.3777 4.3777 4.4749 4.4749 4.8857 4.8857 4.9776 4.9776 5.5317 5.5317 5.5908 5.5908 5.7829 5.7829 5.8247 5.8247 6.1291 6.1291 6.1736 6.1736 6.4835 6.4835 6.5194 6.5194 6.7982 6.7982 6.8363 6.8363 7.2267 7.2267 7.2594 7.2594 8.4070 8.4070 8.4109 8.4109 9.1509 9.1509 9.1640 9.1640 9.4386 9.4386 9.5018 9.5018 10.6526 10.6526 10.6695 10.6695 11.4364 11.4364 k = 0.0972 0.2526 0.0935 ( 11846 PWs) bands (ev): -4.9831 -4.9831 -4.9829 -4.9829 -4.3572 -4.3572 -4.3569 -4.3569 -2.6937 -2.6937 -2.6866 -2.6866 -2.5751 -2.5751 -2.5677 -2.5677 1.5432 1.5432 1.5507 1.5507 1.7975 1.7975 1.8187 1.8187 2.1711 2.1711 2.2758 2.2758 2.4286 2.4286 2.4530 2.4530 2.8094 2.8094 2.8570 2.8570 3.1249 3.1249 3.1285 3.1285 3.3416 3.3416 3.3437 3.3437 3.5050 3.5050 3.5057 3.5057 3.6581 3.6581 3.7060 3.7060 3.7564 3.7564 3.7657 3.7657 4.0303 4.0303 4.0758 4.0758 4.3485 4.3485 4.4472 4.4472 4.8189 4.8189 4.9191 4.9191 5.5240 5.5240 5.5835 5.5835 5.7852 5.7852 5.8235 5.8235 6.1286 6.1286 6.1767 6.1767 6.5054 6.5054 6.5321 6.5321 6.8333 6.8333 6.8755 6.8755 7.2240 7.2240 7.2667 7.2667 8.3596 8.3596 8.3632 8.3632 9.1499 9.1499 9.1654 9.1654 9.4293 9.4293 9.4993 9.4993 10.6813 10.6813 10.6994 10.6994 11.4325 11.4325 k = 0.1111 0.2526 0.0935 ( 11846 PWs) bands (ev): -4.9719 -4.9719 -4.9716 -4.9716 -4.3476 -4.3476 -4.3472 -4.3472 -2.6954 -2.6954 -2.6871 -2.6871 -2.5822 -2.5822 -2.5737 -2.5737 1.5410 1.5410 1.5502 1.5502 1.8025 1.8025 1.8240 1.8240 2.1647 2.1647 2.2829 2.2829 2.4215 2.4215 2.4533 2.4533 2.8048 2.8048 2.8571 2.8571 3.1238 3.1238 3.1303 3.1303 3.3374 3.3374 3.3401 3.3401 3.5050 3.5050 3.5061 3.5061 3.6506 3.6506 3.7062 3.7062 3.7533 3.7533 3.7651 3.7651 4.0222 4.0222 4.0622 4.0622 4.3239 4.3239 4.4177 4.4177 4.7515 4.7515 4.8595 4.8595 5.5167 5.5167 5.5755 5.5755 5.7911 5.7911 5.8237 5.8237 6.1198 6.1198 6.1696 6.1696 6.5229 6.5229 6.5353 6.5353 6.8758 6.8758 6.9185 6.9185 7.2250 7.2250 7.2768 7.2768 8.3106 8.3106 8.3139 8.3139 9.1471 9.1471 9.1658 9.1658 9.4229 9.4229 9.4982 9.4982 10.7034 10.7034 10.7228 10.7228 11.4311 11.4311 k = 0.1250 0.2526 0.0935 ( 11860 PWs) bands (ev): -4.9593 -4.9593 -4.9590 -4.9590 -4.3368 -4.3368 -4.3364 -4.3364 -2.6978 -2.6978 -2.6883 -2.6883 -2.5897 -2.5897 -2.5800 -2.5800 1.5386 1.5386 1.5496 1.5496 1.8081 1.8081 1.8290 1.8290 2.1587 2.1587 2.2889 2.2889 2.4140 2.4140 2.4538 2.4538 2.8005 2.8005 2.8566 2.8566 3.1218 3.1218 3.1320 3.1320 3.3305 3.3305 3.3390 3.3390 3.5045 3.5045 3.5056 3.5056 3.6417 3.6417 3.7044 3.7044 3.7504 3.7504 3.7652 3.7652 4.0135 4.0135 4.0439 4.0439 4.3049 4.3049 4.3881 4.3881 4.6851 4.6851 4.8003 4.8003 5.5089 5.5089 5.5665 5.5665 5.8001 5.8001 5.8248 5.8248 6.1024 6.1024 6.1537 6.1537 6.5330 6.5330 6.5364 6.5364 6.9212 6.9212 6.9622 6.9622 7.2288 7.2288 7.2875 7.2875 8.2628 8.2628 8.2658 8.2658 9.1405 9.1405 9.1637 9.1637 9.4215 9.4215 9.5002 9.5002 10.7171 10.7171 10.7379 10.7379 11.4359 11.4359 k = 0.1389 0.2526 0.0935 ( 11858 PWs) bands (ev): -4.9454 -4.9454 -4.9451 -4.9451 -4.3250 -4.3250 -4.3246 -4.3246 -2.7011 -2.7011 -2.6906 -2.6906 -2.5973 -2.5973 -2.5865 -2.5865 1.5360 1.5360 1.5490 1.5490 1.8143 1.8143 1.8333 1.8333 2.1532 2.1532 2.2932 2.2932 2.4068 2.4068 2.4546 2.4546 2.7963 2.7963 2.8554 2.8554 3.1188 3.1188 3.1332 3.1332 3.3231 3.3231 3.3385 3.3385 3.5037 3.5037 3.5039 3.5039 3.6311 3.6311 3.7003 3.7003 3.7477 3.7477 3.7664 3.7664 4.0043 4.0043 4.0226 4.0226 4.2913 4.2913 4.3596 4.3596 4.6211 4.6211 4.7430 4.7430 5.4994 5.4994 5.5554 5.5554 5.8118 5.8118 5.8257 5.8257 6.0773 6.0773 6.1316 6.1316 6.5285 6.5285 6.5468 6.5468 6.9650 6.9650 7.0032 7.0032 7.2335 7.2335 7.2966 7.2966 8.2191 8.2191 8.2218 8.2218 9.1289 9.1289 9.1583 9.1583 9.4267 9.4267 9.5066 9.5066 10.7223 10.7223 10.7449 10.7449 11.4474 11.4474 k = 0.1528 0.2526 0.0935 ( 11854 PWs) bands (ev): -4.9302 -4.9302 -4.9298 -4.9298 -4.3121 -4.3121 -4.3116 -4.3116 -2.7056 -2.7056 -2.6943 -2.6943 -2.6046 -2.6046 -2.5929 -2.5929 1.5332 1.5332 1.5482 1.5482 1.8208 1.8208 1.8367 1.8367 2.1484 2.1484 2.2947 2.2947 2.4007 2.4007 2.4556 2.4556 2.7925 2.7925 2.8535 2.8535 3.1145 3.1145 3.1335 3.1335 3.3157 3.3157 3.3384 3.3384 3.5003 3.5003 3.5026 3.5026 3.6190 3.6190 3.6939 3.6939 3.7454 3.7454 3.7684 3.7684 3.9948 3.9948 4.0005 4.0005 4.2814 4.2814 4.3331 4.3331 4.5610 4.5610 4.6885 4.6885 5.4867 5.4867 5.5411 5.5411 5.8253 5.8253 5.8257 5.8257 6.0469 6.0469 6.1067 6.1067 6.5240 6.5240 6.5548 6.5548 7.0034 7.0034 7.0380 7.0380 7.2372 7.2372 7.3016 7.3016 8.1820 8.1820 8.1846 8.1846 9.1125 9.1125 9.1496 9.1496 9.4385 9.4385 9.5180 9.5180 10.7205 10.7205 10.7454 10.7454 11.4631 11.4631 k = 0.1667 0.2526 0.0935 ( 11860 PWs) bands (ev): -4.9138 -4.9138 -4.9134 -4.9134 -4.2983 -4.2983 -4.2977 -4.2977 -2.7116 -2.7116 -2.6998 -2.6998 -2.6112 -2.6112 -2.5990 -2.5990 1.5303 1.5303 1.5473 1.5473 1.8274 1.8274 1.8389 1.8389 2.1445 2.1445 2.2923 2.2923 2.3969 2.3969 2.4567 2.4567 2.7888 2.7888 2.8509 2.8509 3.1089 3.1089 3.1323 3.1323 3.3086 3.3086 3.3386 3.3386 3.4945 3.4945 3.5012 3.5012 3.6059 3.6059 3.6860 3.6860 3.7435 3.7435 3.7712 3.7712 3.9799 3.9799 3.9851 3.9851 4.2730 4.2730 4.3093 4.3093 4.5070 4.5070 4.6379 4.6379 5.4691 5.4691 5.5222 5.5222 5.8222 5.8222 5.8410 5.8410 6.0140 6.0140 6.0834 6.0834 6.5200 6.5200 6.5610 6.5610 7.0333 7.0333 7.0631 7.0631 7.2389 7.2389 7.3011 7.3011 8.1539 8.1539 8.1564 8.1564 9.0928 9.0928 9.1385 9.1385 9.4560 9.4560 9.5339 9.5339 10.7142 10.7142 10.7418 10.7418 11.4791 11.4791 k = 0.1806 0.2526 0.0935 ( 11864 PWs) bands (ev): -4.8963 -4.8963 -4.8958 -4.8958 -4.2835 -4.2835 -4.2829 -4.2829 -2.7193 -2.7193 -2.7073 -2.7073 -2.6169 -2.6169 -2.6046 -2.6046 1.5274 1.5274 1.5463 1.5463 1.8340 1.8340 1.8396 1.8396 2.1417 2.1417 2.2857 2.2857 2.3958 2.3958 2.4577 2.4577 2.7852 2.7852 2.8475 2.8475 3.1016 3.1016 3.1290 3.1290 3.3024 3.3024 3.3390 3.3390 3.4858 3.4858 3.4995 3.4995 3.5921 3.5921 3.6777 3.6777 3.7421 3.7421 3.7743 3.7743 3.9623 3.9623 3.9756 3.9756 4.2633 4.2633 4.2883 4.2883 4.4613 4.4613 4.5919 4.5919 5.4452 5.4452 5.4971 5.4971 5.8149 5.8149 5.8564 5.8564 5.9827 5.9827 6.0652 6.0652 6.5162 6.5162 6.5657 6.5657 7.0520 7.0520 7.0750 7.0750 7.2391 7.2391 7.2953 7.2953 8.1361 8.1361 8.1383 8.1383 9.0717 9.0717 9.1263 9.1263 9.4772 9.4772 9.5533 9.5533 10.7058 10.7058 10.7363 10.7363 11.4919 11.4919 k = 0.1944 0.2526 0.0935 ( 11868 PWs) bands (ev): -4.8776 -4.8776 -4.8771 -4.8771 -4.2679 -4.2679 -4.2673 -4.2673 -2.7287 -2.7287 -2.7171 -2.7171 -2.6215 -2.6215 -2.6096 -2.6096 1.5244 1.5244 1.5451 1.5451 1.8387 1.8387 1.8403 1.8403 2.1400 2.1400 2.2748 2.2748 2.3974 2.3974 2.4585 2.4585 2.7818 2.7818 2.8433 2.8433 3.0927 3.0927 3.1232 3.1232 3.2973 3.2973 3.3395 3.3395 3.4742 3.4742 3.4977 3.4977 3.5785 3.5785 3.6704 3.6704 3.7411 3.7411 3.7774 3.7774 3.9486 3.9486 3.9667 3.9667 4.2492 4.2492 4.2699 4.2699 4.4269 4.4269 4.5513 4.5513 5.4140 5.4140 5.4648 5.4648 5.8032 5.8032 5.8682 5.8682 5.9584 5.9584 6.0544 6.0544 6.5119 6.5119 6.5687 6.5687 7.0577 7.0577 7.0714 7.0714 7.2390 7.2390 7.2857 7.2857 8.1284 8.1284 8.1302 8.1302 9.0511 9.0511 9.1145 9.1145 9.5005 9.5005 9.5745 9.5745 10.6973 10.6973 10.7309 10.7309 11.4995 11.4995 k = 0.2083 0.2526 0.0935 ( 11860 PWs) bands (ev): -4.8580 -4.8580 -4.8575 -4.8575 -4.2516 -4.2516 -4.2510 -4.2510 -2.7399 -2.7399 -2.7290 -2.7290 -2.6252 -2.6252 -2.6140 -2.6140 1.5215 1.5215 1.5438 1.5438 1.8362 1.8362 1.8461 1.8461 2.1395 2.1395 2.2607 2.2607 2.4008 2.4008 2.4589 2.4589 2.7783 2.7783 2.8384 2.8384 3.0822 3.0822 3.1147 3.1147 3.2935 3.2935 3.3400 3.3400 3.4602 3.4602 3.4956 3.4956 3.5662 3.5662 3.6650 3.6650 3.7405 3.7405 3.7804 3.7804 3.9386 3.9386 3.9586 3.9586 4.2291 4.2291 4.2536 4.2536 4.4055 4.4055 4.5167 4.5167 5.3751 5.3751 5.4249 5.4249 5.7876 5.7876 5.8687 5.8687 5.9495 5.9495 6.0512 6.0512 6.5058 6.5058 6.5696 6.5696 7.0497 7.0497 7.0530 7.0530 7.2390 7.2390 7.2745 7.2745 8.1297 8.1297 8.1308 8.1308 9.0326 9.0326 9.1041 9.1041 9.5239 9.5239 9.5961 9.5961 10.6903 10.6903 10.7267 10.7267 11.5012 11.5012 k = 0.2222 0.2526 0.0935 ( 11850 PWs) bands (ev): -4.8375 -4.8375 -4.8369 -4.8369 -4.2346 -4.2346 -4.2340 -4.2340 -2.7528 -2.7528 -2.7428 -2.7428 -2.6280 -2.6280 -2.6178 -2.6178 1.5186 1.5186 1.5424 1.5424 1.8321 1.8321 1.8512 1.8512 2.1400 2.1400 2.2442 2.2442 2.4051 2.4051 2.4585 2.4585 2.7746 2.7746 2.8326 2.8326 3.0702 3.0702 3.1034 3.1034 3.2908 3.2908 3.3402 3.3402 3.4449 3.4449 3.4929 3.4929 3.5562 3.5562 3.6621 3.6621 3.7402 3.7402 3.7830 3.7830 3.9322 3.9322 3.9518 3.9518 4.2043 4.2043 4.2390 4.2390 4.3958 4.3958 4.4883 4.4883 5.3293 5.3293 5.3779 5.3779 5.7691 5.7691 5.8552 5.8552 5.9586 5.9586 6.0542 6.0542 6.4965 6.4965 6.5674 6.5674 7.0240 7.0240 7.0304 7.0304 7.2382 7.2382 7.2632 7.2632 8.1380 8.1380 8.1381 8.1381 9.0169 9.0169 9.0957 9.0957 9.5460 9.5460 9.6165 9.6165 10.6856 10.6856 10.7247 10.7247 11.4975 11.4975 k = 0.2361 0.2526 0.0935 ( 11858 PWs) bands (ev): -4.8161 -4.8161 -4.8155 -4.8155 -4.2171 -4.2171 -4.2165 -4.2165 -2.7671 -2.7671 -2.7582 -2.7582 -2.6303 -2.6303 -2.6211 -2.6211 1.5158 1.5158 1.5407 1.5407 1.8265 1.8265 1.8552 1.8552 2.1414 2.1414 2.2264 2.2264 2.4095 2.4095 2.4572 2.4572 2.7707 2.7707 2.8260 2.8260 3.0569 3.0569 3.0900 3.0900 3.2886 3.2886 3.3401 3.3401 3.4296 3.4296 3.4888 3.4888 3.5500 3.5500 3.6614 3.6614 3.7402 3.7402 3.7852 3.7852 3.9287 3.9287 3.9465 3.9465 4.1783 4.1783 4.2258 4.2258 4.3946 4.3946 4.4664 4.4664 5.2778 5.2778 5.3253 5.3253 5.7482 5.7482 5.8347 5.8347 5.9773 5.9773 6.0614 6.0614 6.4822 6.4822 6.5604 6.5604 6.9902 6.9902 7.0041 7.0041 7.2354 7.2354 7.2519 7.2519 8.1501 8.1501 8.1511 8.1511 9.0044 9.0044 9.0893 9.0893 9.5656 9.5656 9.6344 9.6344 10.6839 10.6839 10.7252 10.7252 11.4895 11.4895 k = 0.2500 0.2526 0.0935 ( 11858 PWs) bands (ev): -4.7941 -4.7941 -4.7935 -4.7935 -4.1992 -4.1992 -4.1985 -4.1985 -2.7828 -2.7828 -2.7749 -2.7749 -2.6323 -2.6323 -2.6242 -2.6242 1.5131 1.5131 1.5389 1.5389 1.8196 1.8196 1.8579 1.8579 2.1433 2.1433 2.2081 2.2081 2.4135 2.4135 2.4547 2.4547 2.7664 2.7664 2.8187 2.8187 3.0430 3.0430 3.0750 3.0750 3.2862 3.2862 3.3399 3.3399 3.4159 3.4159 3.4832 3.4832 3.5480 3.5480 3.6626 3.6626 3.7403 3.7403 3.7869 3.7869 3.9277 3.9277 3.9427 3.9427 4.1542 4.1542 4.2136 4.2136 4.3991 4.3991 4.4510 4.4510 5.2223 5.2223 5.2686 5.2686 5.7247 5.7247 5.8113 5.8113 5.9997 5.9997 6.0712 6.0712 6.4610 6.4610 6.5463 6.5463 6.9573 6.9573 6.9759 6.9759 7.2305 7.2305 7.2405 7.2405 8.1650 8.1650 8.1671 8.1671 8.9946 8.9946 9.0843 9.0843 9.5817 9.5817 9.6489 9.6489 10.6855 10.6855 10.7285 10.7285 11.4789 11.4789 k = 0.2639 0.2526 0.0935 ( 11864 PWs) bands (ev): -4.7715 -4.7715 -4.7709 -4.7709 -4.1810 -4.1810 -4.1803 -4.1803 -2.7996 -2.7996 -2.7927 -2.7927 -2.6342 -2.6342 -2.6270 -2.6270 1.5106 1.5106 1.5368 1.5368 1.8119 1.8119 1.8592 1.8592 2.1457 2.1457 2.1898 2.1898 2.4166 2.4166 2.4508 2.4508 2.7615 2.7615 2.8106 2.8106 3.0288 3.0288 3.0594 3.0594 3.2830 3.2830 3.3394 3.3394 3.4048 3.4048 3.4765 3.4765 3.5500 3.5500 3.6651 3.6651 3.7406 3.7406 3.7881 3.7881 3.9288 3.9288 3.9407 3.9407 4.1341 4.1341 4.2027 4.2027 4.4075 4.4075 4.4416 4.4416 5.1647 5.1647 5.2097 5.2097 5.6980 5.6980 5.7855 5.7855 6.0233 6.0233 6.0821 6.0821 6.4314 6.4314 6.5228 6.5228 6.9303 6.9303 6.9504 6.9504 7.2241 7.2241 7.2293 7.2293 8.1815 8.1815 8.1846 8.1846 8.9870 8.9870 9.0800 9.0800 9.5935 9.5935 9.6591 9.6591 10.6905 10.6905 10.7345 10.7345 11.4670 11.4670 k = 0.2778 0.2526 0.0935 ( 11864 PWs) bands (ev): -4.7485 -4.7485 -4.7479 -4.7479 -4.1627 -4.1627 -4.1619 -4.1619 -2.8173 -2.8173 -2.8112 -2.8112 -2.6361 -2.6361 -2.6298 -2.6298 1.5082 1.5082 1.5345 1.5345 1.8035 1.8035 1.8587 1.8587 2.1480 2.1480 2.1724 2.1724 2.4184 2.4184 2.4453 2.4453 2.7560 2.7560 2.8018 2.8018 3.0149 3.0149 3.0440 3.0440 3.2788 3.2788 3.3389 3.3389 3.3968 3.3968 3.4693 3.4693 3.5553 3.5553 3.6685 3.6685 3.7411 3.7411 3.7888 3.7888 3.9318 3.9318 3.9404 3.9404 4.1190 4.1190 4.1932 4.1932 4.4186 4.4186 4.4378 4.4378 5.1063 5.1063 5.1499 5.1499 5.6674 5.6674 5.7567 5.7567 6.0468 6.0468 6.0927 6.0927 6.3930 6.3930 6.4890 6.4890 6.9123 6.9123 6.9303 6.9303 7.2173 7.2173 7.2193 7.2193 8.1985 8.1985 8.2023 8.2023 8.9805 8.9805 9.0753 9.0753 9.6007 9.6007 9.6645 9.6645 10.6989 10.6989 10.7431 10.7431 11.4550 11.4550 k = 0.2917 0.2526 0.0935 ( 11860 PWs) bands (ev): -4.7253 -4.7253 -4.7246 -4.7246 -4.1443 -4.1443 -4.1435 -4.1435 -2.8356 -2.8356 -2.8303 -2.8303 -2.6382 -2.6382 -2.6327 -2.6327 1.5060 1.5060 1.5319 1.5319 1.7948 1.7948 1.8563 1.8563 2.1502 2.1502 2.1562 2.1562 2.4185 2.4185 2.4383 2.4383 2.7498 2.7498 2.7923 2.7923 3.0020 3.0020 3.0294 3.0294 3.2736 3.2736 3.3383 3.3383 3.3918 3.3918 3.4624 3.4624 3.5628 3.5628 3.6722 3.6722 3.7419 3.7419 3.7890 3.7890 3.9365 3.9365 3.9418 3.9418 4.1095 4.1095 4.1855 4.1855 4.4319 4.4319 4.4389 4.4389 5.0487 5.0487 5.0908 5.0908 5.6324 5.6324 5.7242 5.7242 6.0685 6.0685 6.1013 6.1013 6.3469 6.3469 6.4462 6.4462 6.9036 6.9036 6.9163 6.9163 7.2116 7.2116 7.2117 7.2117 8.2151 8.2151 8.2196 8.2196 8.9742 8.9742 9.0693 9.0693 9.6031 9.6031 9.6649 9.6649 10.7104 10.7104 10.7540 10.7540 11.4441 11.4441 k = 0.3056 0.2526 0.0935 ( 11856 PWs) bands (ev): -4.7019 -4.7019 -4.7012 -4.7012 -4.1260 -4.1260 -4.1252 -4.1252 -2.8544 -2.8544 -2.8498 -2.8498 -2.6404 -2.6404 -2.6357 -2.6357 1.5040 1.5040 1.5291 1.5291 1.7861 1.7861 1.8519 1.8519 2.1419 2.1419 2.1519 2.1519 2.4170 2.4170 2.4299 2.4299 2.7430 2.7430 2.7822 2.7822 2.9903 2.9903 3.0163 3.0163 3.2679 3.2679 3.3374 3.3374 3.3891 3.3891 3.4561 3.4561 3.5717 3.5717 3.6758 3.6758 3.7430 3.7430 3.7889 3.7889 3.9428 3.9428 3.9449 3.9449 4.1060 4.1060 4.1801 4.1801 4.4443 4.4443 4.4471 4.4471 4.9930 4.9930 5.0333 5.0333 5.5928 5.5928 5.6874 5.6874 6.0856 6.0856 6.1055 6.1055 6.2971 6.2971 6.3988 6.3988 6.9024 6.9024 6.9076 6.9076 7.2082 7.2082 7.2088 7.2088 8.2309 8.2309 8.2358 8.2358 8.9671 8.9671 9.0612 9.0612 9.6010 9.6010 9.6605 9.6605 10.7247 10.7247 10.7670 10.7670 11.4348 11.4348 k = 0.3194 0.2526 0.0935 ( 11854 PWs) bands (ev): -4.6786 -4.6786 -4.6779 -4.6779 -4.1081 -4.1081 -4.1073 -4.1073 -2.8733 -2.8733 -2.8693 -2.8693 -2.6429 -2.6429 -2.6388 -2.6388 1.5022 1.5022 1.5259 1.5259 1.7777 1.7777 1.8455 1.8455 2.1296 2.1296 2.1530 2.1530 2.4136 2.4136 2.4200 2.4200 2.7357 2.7357 2.7716 2.7716 2.9803 2.9803 3.0051 3.0051 3.2624 3.2624 3.3362 3.3362 3.3881 3.3881 3.4507 3.4507 3.5815 3.5815 3.6789 3.6789 3.7445 3.7445 3.7886 3.7886 3.9494 3.9494 3.9504 3.9504 4.1086 4.1086 4.1774 4.1774 4.4536 4.4536 4.4638 4.4638 4.9400 4.9400 4.9786 4.9786 5.5485 5.5485 5.6462 5.6462 6.0908 6.0908 6.1007 6.1007 6.2525 6.2525 6.3534 6.3534 6.9024 6.9024 6.9056 6.9056 7.2102 7.2102 7.2105 7.2105 8.2454 8.2454 8.2506 8.2506 8.9585 8.9585 9.0504 9.0504 9.5947 9.5947 9.6515 9.6515 10.7414 10.7414 10.7815 10.7815 11.4276 11.4276 k = 0.3333 0.2526 0.0935 ( 11850 PWs) bands (ev): -4.6555 -4.6555 -4.6549 -4.6549 -4.0905 -4.0905 -4.0898 -4.0898 -2.8922 -2.8922 -2.8888 -2.8888 -2.6456 -2.6456 -2.6421 -2.6421 1.5005 1.5005 1.5226 1.5226 1.7697 1.7697 1.8374 1.8374 2.1197 2.1197 2.1533 2.1533 2.4084 2.4084 2.4091 2.4091 2.7280 2.7280 2.7607 2.7607 2.9721 2.9721 2.9958 2.9958 3.2574 3.2574 3.3344 3.3344 3.3881 3.3881 3.4463 3.4463 3.5916 3.5916 3.6815 3.6815 3.7464 3.7464 3.7881 3.7881 3.9551 3.9551 3.9589 3.9589 4.1171 4.1171 4.1778 4.1778 4.4661 4.4661 4.4817 4.4817 4.8908 4.8908 4.9275 4.9275 5.5001 5.5001 5.6008 5.6008 6.0700 6.0700 6.0805 6.0805 6.2287 6.2287 6.3186 6.3186 6.8990 6.8990 6.9104 6.9104 7.2181 7.2181 7.2186 7.2186 8.2583 8.2583 8.2637 8.2637 8.9481 8.9481 9.0368 9.0368 9.5847 9.5847 9.6385 9.6385 10.7599 10.7599 10.7972 10.7972 11.4226 11.4226 k = 0.3472 0.2526 0.0935 ( 11840 PWs) bands (ev): -4.6330 -4.6330 -4.6323 -4.6323 -4.0737 -4.0737 -4.0729 -4.0729 -2.9108 -2.9108 -2.9079 -2.9079 -2.6485 -2.6485 -2.6455 -2.6455 1.4990 1.4990 1.5190 1.5190 1.7625 1.7625 1.8278 1.8278 2.1120 2.1120 2.1529 2.1529 2.3974 2.3974 2.4016 2.4016 2.7201 2.7201 2.7495 2.7495 2.9657 2.9657 2.9884 2.9884 3.2534 3.2534 3.3319 3.3319 3.3887 3.3887 3.4428 3.4428 3.6016 3.6016 3.6833 3.6833 3.7489 3.7489 3.7876 3.7876 3.9618 3.9618 3.9677 3.9677 4.1316 4.1316 4.1818 4.1818 4.4811 4.4811 4.5004 4.5004 4.8461 4.8461 4.8810 4.8810 5.4479 5.4479 5.5514 5.5514 6.0205 6.0205 6.0412 6.0412 6.2298 6.2298 6.3000 6.3000 6.8959 6.8959 6.9145 6.9145 7.2324 7.2324 7.2337 7.2337 8.2691 8.2691 8.2747 8.2747 8.9357 8.9357 9.0204 9.0204 9.5718 9.5718 9.6222 9.6222 10.7796 10.7796 10.8135 10.8135 11.4200 11.4200 k = 0.3611 0.2526 0.0935 ( 11842 PWs) bands (ev): -4.6112 -4.6112 -4.6105 -4.6105 -4.0575 -4.0575 -4.0568 -4.0568 -2.9290 -2.9290 -2.9265 -2.9265 -2.6516 -2.6516 -2.6490 -2.6490 1.4977 1.4977 1.5153 1.5153 1.7560 1.7560 1.8173 1.8173 2.1064 2.1064 2.1517 2.1517 2.3854 2.3854 2.3934 2.3934 2.7122 2.7122 2.7385 2.7385 2.9611 2.9611 2.9828 2.9828 3.2504 3.2504 3.3285 3.3285 3.3895 3.3895 3.4400 3.4400 3.6112 3.6112 3.6845 3.6845 3.7517 3.7517 3.7871 3.7871 3.9691 3.9691 3.9763 3.9763 4.1518 4.1518 4.1898 4.1898 4.4981 4.4981 4.5192 4.5192 4.8067 4.8067 4.8401 4.8401 5.3928 5.3928 5.4987 5.4987 5.9562 5.9562 5.9860 5.9860 6.2434 6.2434 6.2956 6.2956 6.8927 6.8927 6.9167 6.9167 7.2533 7.2533 7.2552 7.2552 8.2777 8.2777 8.2833 8.2833 8.9216 8.9216 9.0014 9.0014 9.5568 9.5568 9.6034 9.6034 10.7999 10.7999 10.8300 10.8300 11.4196 11.4196 k = 0.3750 0.2526 0.0935 ( 11848 PWs) bands (ev): -4.5903 -4.5903 -4.5897 -4.5897 -4.0424 -4.0424 -4.0417 -4.0417 -2.9464 -2.9464 -2.9443 -2.9443 -2.6547 -2.6547 -2.6526 -2.6526 1.4964 1.4964 1.5115 1.5115 1.7505 1.7505 1.8063 1.8063 2.1027 2.1027 2.1498 2.1498 2.3732 2.3732 2.3841 2.3841 2.7046 2.7046 2.7277 2.7277 2.9579 2.9579 2.9786 2.9786 3.2485 3.2485 3.3242 3.3242 3.3904 3.3904 3.4377 3.4377 3.6202 3.6202 3.6851 3.6851 3.7549 3.7549 3.7866 3.7866 3.9766 3.9766 3.9844 3.9844 4.1769 4.1769 4.2019 4.2019 4.5160 4.5160 4.5371 4.5371 4.7737 4.7737 4.8062 4.8062 5.3357 5.3357 5.4435 5.4435 5.8862 5.8862 5.9214 5.9214 6.2612 6.2612 6.2999 6.2999 6.8890 6.8890 6.9165 6.9165 7.2801 7.2801 7.2820 7.2820 8.2837 8.2837 8.2893 8.2893 8.9062 8.9062 8.9805 8.9805 9.5406 9.5406 9.5830 9.5830 10.8200 10.8200 10.8462 10.8462 11.4213 11.4213 k = 0.3889 0.2526 0.0935 ( 11850 PWs) bands (ev): -4.5706 -4.5706 -4.5700 -4.5700 -4.0283 -4.0283 -4.0276 -4.0276 -2.9628 -2.9628 -2.9610 -2.9610 -2.6579 -2.6579 -2.6562 -2.6562 1.4953 1.4953 1.5078 1.5078 1.7458 1.7458 1.7952 1.7952 2.1007 2.1007 2.1473 2.1473 2.3615 2.3615 2.3741 2.3741 2.6974 2.6974 2.7174 2.7174 2.9561 2.9561 2.9756 2.9756 3.2476 3.2476 3.3191 3.3191 3.3915 3.3915 3.4355 3.4355 3.6286 3.6286 3.6853 3.6853 3.7582 3.7582 3.7861 3.7861 3.9839 3.9839 3.9918 3.9918 4.2062 4.2062 4.2182 4.2182 4.5335 4.5335 4.5527 4.5527 4.7481 4.7481 4.7808 4.7808 5.2776 5.2776 5.3866 5.3866 5.8149 5.8149 5.8525 5.8525 6.2800 6.2800 6.3086 6.3086 6.8851 6.8851 6.9143 6.9143 7.3113 7.3113 7.3128 7.3128 8.2872 8.2872 8.2926 8.2926 8.8902 8.8902 8.9583 8.9583 9.5239 9.5239 9.5619 9.5619 10.8392 10.8392 10.8614 10.8614 11.4248 11.4248 k = 0.4028 0.2526 0.0935 ( 11846 PWs) bands (ev): -4.5524 -4.5524 -4.5518 -4.5518 -4.0155 -4.0155 -4.0149 -4.0149 -2.9780 -2.9780 -2.9765 -2.9765 -2.6611 -2.6611 -2.6596 -2.6596 1.4942 1.4942 1.5042 1.5042 1.7420 1.7420 1.7846 1.7846 2.1001 2.1001 2.1443 2.1443 2.3504 2.3504 2.3638 2.3638 2.6908 2.6908 2.7078 2.7078 2.9555 2.9555 2.9735 2.9735 3.2476 3.2476 3.3134 3.3134 3.3928 3.3928 3.4332 3.4332 3.6364 3.6364 3.6851 3.6851 3.7616 3.7616 3.7856 3.7856 3.9908 3.9908 3.9983 3.9983 4.2383 4.2383 4.2383 4.2383 4.5490 4.5490 4.5643 4.5643 4.7313 4.7313 4.7654 4.7654 5.2198 5.2198 5.3292 5.3292 5.7446 5.7446 5.7828 5.7828 6.2984 6.2984 6.3194 6.3194 6.8813 6.8813 6.9105 6.9105 7.3452 7.3452 7.3460 7.3460 8.2879 8.2879 8.2929 8.2929 8.8744 8.8744 8.9358 8.9358 9.5075 9.5075 9.5409 9.5409 10.8570 10.8570 10.8753 10.8753 11.4297 11.4297 k = 0.4167 0.2526 0.0935 ( 11856 PWs) bands (ev): -4.5359 -4.5359 -4.5354 -4.5354 -4.0042 -4.0042 -4.0036 -4.0036 -2.9917 -2.9917 -2.9905 -2.9905 -2.6641 -2.6641 -2.6629 -2.6629 1.4931 1.4931 1.5009 1.5009 1.7391 1.7391 1.7747 1.7747 2.1006 2.1006 2.1409 2.1409 2.3403 2.3403 2.3535 2.3535 2.6849 2.6849 2.6991 2.6991 2.9556 2.9556 2.9719 2.9719 3.2485 3.2485 3.3072 3.3072 3.3943 3.3943 3.4307 3.4307 3.6436 3.6436 3.6846 3.6846 3.7648 3.7648 3.7850 3.7850 3.9971 3.9971 4.0038 4.0038 4.2613 4.2613 4.2715 4.2715 4.5615 4.5615 4.5716 4.5716 4.7238 4.7238 4.7602 4.7602 5.1641 5.1641 5.2725 5.2725 5.6772 5.6772 5.7144 5.7144 6.3154 6.3154 6.3306 6.3306 6.8779 6.8779 6.9056 6.9056 7.3801 7.3801 7.3801 7.3801 8.2860 8.2860 8.2905 8.2905 8.8597 8.8597 8.9136 8.9136 9.4921 9.4921 9.5209 9.5209 10.8728 10.8728 10.8876 10.8876 11.4357 11.4357 k = 0.4306 0.2526 0.0935 ( 11848 PWs) bands (ev): -4.5213 -4.5213 -4.5209 -4.5209 -3.9943 -3.9943 -3.9938 -3.9938 -3.0038 -3.0038 -3.0028 -3.0028 -2.6668 -2.6668 -2.6659 -2.6659 1.4921 1.4921 1.4979 1.4979 1.7371 1.7371 1.7658 1.7658 2.1020 2.1020 2.1372 2.1372 2.3314 2.3314 2.3438 2.3438 2.6799 2.6799 2.6914 2.6914 2.9565 2.9565 2.9707 2.9707 3.2502 3.2502 3.3007 3.3007 3.3961 3.3961 3.4279 3.4279 3.6502 3.6502 3.6839 3.6839 3.7678 3.7678 3.7843 3.7843 4.0027 4.0027 4.0085 4.0085 4.2859 4.2859 4.3036 4.3036 4.5712 4.5712 4.5765 4.5765 4.7245 4.7245 4.7627 4.7627 5.1130 5.1130 5.2180 5.2180 5.6143 5.6143 5.6493 5.6493 6.3307 6.3307 6.3413 6.3413 6.8752 6.8752 6.9002 6.9002 7.4134 7.4134 7.4140 7.4140 8.2820 8.2820 8.2858 8.2858 8.8468 8.8468 8.8928 8.8928 9.4784 9.4784 9.5024 9.5024 10.8864 10.8864 10.8980 10.8980 11.4424 11.4424 k = 0.4444 0.2526 0.0935 ( 11850 PWs) bands (ev): -4.5091 -4.5091 -4.5087 -4.5087 -3.9861 -3.9861 -3.9857 -3.9857 -3.0139 -3.0139 -3.0132 -3.0132 -2.6692 -2.6692 -2.6685 -2.6685 1.4913 1.4913 1.4953 1.4953 1.7358 1.7358 1.7580 1.7580 2.1042 2.1042 2.1334 2.1334 2.3242 2.3242 2.3349 2.3349 2.6758 2.6758 2.6848 2.6848 2.9578 2.9578 2.9696 2.9696 3.2527 3.2527 3.2941 3.2941 3.3982 3.3982 3.4247 3.4247 3.6562 3.6562 3.6828 3.6828 3.7704 3.7704 3.7834 3.7834 4.0074 4.0074 4.0123 4.0123 4.3103 4.3103 4.3318 4.3318 4.5805 4.5805 4.5825 4.5825 4.7295 4.7295 4.7673 4.7673 5.0699 5.0699 5.1677 5.1677 5.5580 5.5580 5.5894 5.5894 6.3437 6.3437 6.3510 6.3510 6.8733 6.8733 6.8946 6.8946 7.4443 7.4443 7.4453 7.4453 8.2764 8.2764 8.2793 8.2793 8.8365 8.8365 8.8739 8.8739 9.4670 9.4670 9.4862 9.4862 10.8977 10.8977 10.9065 10.9065 11.4491 11.4491 k = 0.4583 0.2526 0.0935 ( 11846 PWs) bands (ev): -4.4992 -4.4992 -4.4990 -4.4990 -3.9796 -3.9796 -3.9793 -3.9793 -3.0220 -3.0220 -3.0214 -3.0214 -2.6711 -2.6711 -2.6706 -2.6706 1.4905 1.4905 1.4932 1.4932 1.7354 1.7354 1.7515 1.7515 2.1070 2.1070 2.1294 2.1294 2.3186 2.3186 2.3272 2.3272 2.6727 2.6727 2.6794 2.6794 2.9593 2.9593 2.9685 2.9685 3.2559 3.2559 3.2875 3.2875 3.4008 3.4008 3.4212 3.4212 3.6616 3.6616 3.6813 3.6813 3.7728 3.7728 3.7824 3.7824 4.0113 4.0113 4.0151 4.0151 4.3324 4.3324 4.3534 4.3534 4.5921 4.5921 4.5930 4.5930 4.7343 4.7343 4.7675 4.7675 5.0394 5.0394 5.1235 5.1235 5.5107 5.5107 5.5369 5.5369 6.3543 6.3543 6.3589 6.3589 6.8723 6.8723 6.8891 6.8891 7.4709 7.4709 7.4721 7.4721 8.2702 8.2702 8.2723 8.2723 8.8292 8.8292 8.8577 8.8577 9.4581 9.4581 9.4725 9.4725 10.9065 10.9065 10.9128 10.9128 11.4556 11.4556 k = 0.4722 0.2526 0.0935 ( 11852 PWs) bands (ev): -4.4921 -4.4921 -4.4919 -4.4919 -3.9749 -3.9749 -3.9747 -3.9747 -3.0278 -3.0278 -3.0275 -3.0275 -2.6726 -2.6726 -2.6722 -2.6722 1.4900 1.4900 1.4916 1.4916 1.7357 1.7357 1.7462 1.7462 2.1102 2.1102 2.1254 2.1254 2.3150 2.3150 2.3210 2.3210 2.6708 2.6708 2.6752 2.6752 2.9610 2.9610 2.9673 2.9673 3.2597 3.2597 3.2811 3.2811 3.4037 3.4037 3.4176 3.4176 3.6663 3.6663 3.6794 3.6794 3.7749 3.7749 3.7812 3.7812 4.0143 4.0143 4.0169 4.0169 4.3504 4.3504 4.3668 4.3668 4.6070 4.6070 4.6081 4.6081 4.7352 4.7352 4.7592 4.7592 5.0251 5.0251 5.0871 5.0871 5.4752 5.4752 5.4944 5.4944 6.3621 6.3621 6.3648 6.3648 6.8725 6.8725 6.8841 6.8841 7.4917 7.4917 7.4926 7.4926 8.2645 8.2645 8.2659 8.2659 8.8253 8.8253 8.8444 8.8444 9.4522 9.4522 9.4618 9.4618 10.9130 10.9130 10.9170 10.9170 11.4615 11.4615 k = 0.4861 0.2526 0.0935 ( 11864 PWs) bands (ev): -4.4877 -4.4877 -4.4876 -4.4876 -3.9721 -3.9721 -3.9720 -3.9720 -3.0314 -3.0314 -3.0312 -3.0312 -2.6734 -2.6734 -2.6732 -2.6732 1.4898 1.4898 1.4905 1.4905 1.7369 1.7369 1.7420 1.7420 2.1138 2.1138 2.1214 2.1214 2.3135 2.3135 2.3165 2.3165 2.6700 2.6700 2.6722 2.6722 2.9628 2.9628 2.9659 2.9659 3.2642 3.2642 3.2750 3.2750 3.4069 3.4069 3.4140 3.4140 3.6705 3.6705 3.6770 3.6770 3.7767 3.7767 3.7799 3.7799 4.0164 4.0164 4.0177 4.0177 4.3634 4.3634 4.3722 4.3722 4.6224 4.6224 4.6235 4.6235 4.7329 4.7329 4.7449 4.7449 5.0262 5.0262 5.0589 5.0589 5.4546 5.4546 5.4649 5.4649 6.3670 6.3670 6.3683 6.3683 6.8739 6.8739 6.8798 6.8798 7.5050 7.5050 7.5055 7.5055 8.2607 8.2607 8.2613 8.2613 8.8248 8.8248 8.8345 8.8345 9.4496 9.4496 9.4544 9.4544 10.9173 10.9173 10.9192 10.9192 11.4664 11.4664 k = 0.5000 0.2526 0.0935 ( 11860 PWs) bands (ev): -4.4862 -4.4862 -4.4862 -4.4862 -3.9711 -3.9711 -3.9711 -3.9711 -3.0325 -3.0325 -3.0325 -3.0325 -2.6736 -2.6736 -2.6736 -2.6736 1.4900 1.4900 1.4900 1.4900 1.7390 1.7390 1.7390 1.7390 2.1175 2.1175 2.1175 2.1175 2.3140 2.3140 2.3140 2.3140 2.6705 2.6705 2.6705 2.6705 2.9644 2.9644 2.9644 2.9644 3.2693 3.2693 3.2693 3.2693 3.4103 3.4103 3.4103 3.4103 3.6740 3.6740 3.6740 3.6740 3.7784 3.7784 3.7784 3.7784 4.0176 4.0176 4.0176 4.0176 4.3708 4.3708 4.3708 4.3708 4.6301 4.6301 4.6301 4.6301 4.7340 4.7340 4.7340 4.7340 5.0384 5.0384 5.0384 5.0384 5.4511 5.4511 5.4511 5.4511 6.3691 6.3691 6.3691 6.3691 6.8763 6.8763 6.8763 6.8763 7.5097 7.5097 7.5097 7.5097 8.2595 8.2595 8.2595 8.2595 8.8279 8.8279 8.8279 8.8279 9.4503 9.4503 9.4503 9.4503 10.9193 10.9193 10.9193 10.9193 11.4701 11.4701 k = 0.5000 0.2526 0.0935 ( 11860 PWs) bands (ev): -4.4862 -4.4862 -4.4862 -4.4862 -3.9711 -3.9711 -3.9711 -3.9711 -3.0325 -3.0325 -3.0325 -3.0325 -2.6736 -2.6736 -2.6736 -2.6736 1.4900 1.4900 1.4900 1.4900 1.7390 1.7390 1.7390 1.7390 2.1175 2.1175 2.1175 2.1175 2.3140 2.3140 2.3140 2.3140 2.6705 2.6705 2.6705 2.6705 2.9644 2.9644 2.9644 2.9644 3.2693 3.2693 3.2693 3.2693 3.4103 3.4103 3.4103 3.4103 3.6740 3.6740 3.6740 3.6740 3.7784 3.7784 3.7784 3.7784 4.0176 4.0176 4.0176 4.0176 4.3708 4.3708 4.3708 4.3708 4.6301 4.6301 4.6301 4.6301 4.7340 4.7340 4.7340 4.7340 5.0384 5.0384 5.0384 5.0384 5.4511 5.4511 5.4511 5.4511 6.3691 6.3691 6.3691 6.3691 6.8763 6.8763 6.8763 6.8763 7.5097 7.5097 7.5097 7.5097 8.2595 8.2595 8.2595 8.2595 8.8279 8.8279 8.8279 8.8279 9.4503 9.4503 9.4503 9.4503 10.9193 10.9193 10.9193 10.9193 11.4701 11.4701 k = 0.5000 0.2575 0.0802 ( 11868 PWs) bands (ev): -4.4872 -4.4872 -4.4839 -4.4839 -3.9826 -3.9826 -3.9607 -3.9607 -3.0363 -3.0363 -3.0280 -3.0280 -2.6890 -2.6890 -2.6605 -2.6605 1.4835 1.4835 1.4980 1.4980 1.7278 1.7278 1.7530 1.7530 2.0990 2.0990 2.1401 2.1401 2.3090 2.3090 2.3196 2.3196 2.6664 2.6664 2.6748 2.6748 2.9567 2.9567 2.9729 2.9729 3.2547 3.2547 3.2822 3.2822 3.4010 3.4010 3.4212 3.4212 3.6643 3.6643 3.6829 3.6829 3.7762 3.7762 3.7821 3.7821 4.0131 4.0131 4.0217 4.0217 4.3660 4.3660 4.3751 4.3751 4.6127 4.6127 4.6434 4.6434 4.7226 4.7226 4.7485 4.7485 5.0358 5.0358 5.0390 5.0390 5.4283 5.4283 5.4745 5.4745 6.3449 6.3449 6.3610 6.3610 6.8536 6.8536 6.8941 6.8941 7.4910 7.4910 7.5264 7.5264 8.2151 8.2151 8.3233 8.3233 8.7994 8.7994 8.8703 8.8703 9.4264 9.4264 9.4846 9.4846 10.8860 10.8860 10.9587 10.9587 11.4592 11.4592 k = 0.5000 0.2625 0.0669 ( 11870 PWs) bands (ev): -4.4869 -4.4869 -4.4803 -4.4803 -3.9953 -3.9953 -3.9515 -3.9515 -3.0395 -3.0395 -3.0227 -3.0227 -2.7063 -2.7063 -2.6496 -2.6496 1.4786 1.4786 1.5077 1.5077 1.7201 1.7201 1.7694 1.7694 2.0853 2.0853 2.1656 2.1656 2.3051 2.3051 2.3259 2.3259 2.6625 2.6625 2.6793 2.6793 2.9499 2.9499 2.9821 2.9821 3.2389 3.2389 3.2923 3.2923 3.3944 3.3944 3.4327 3.4327 3.6542 3.6542 3.6906 3.6906 3.7759 3.7759 3.7868 3.7868 4.0083 4.0083 4.0255 4.0255 4.3608 4.3608 4.3789 4.3789 4.5932 4.5932 4.6489 4.6489 4.7182 4.7182 4.7638 4.7638 5.0319 5.0319 5.0368 5.0368 5.4073 5.4073 5.4977 5.4977 6.2909 6.2909 6.3249 6.3249 6.8253 6.8253 6.9018 6.9018 7.4739 7.4739 7.5378 7.5378 8.1968 8.1968 8.3989 8.3989 8.7869 8.7869 8.9234 8.9234 9.4147 9.4147 9.5281 9.5281 10.8591 10.8591 11.0041 11.0041 11.4534 11.4534 k = 0.5000 0.2674 0.0535 ( 11872 PWs) bands (ev): -4.4853 -4.4853 -4.4754 -4.4754 -4.0091 -4.0091 -3.9435 -3.9435 -3.0424 -3.0424 -3.0164 -3.0164 -2.7253 -2.7253 -2.6412 -2.6412 1.4749 1.4749 1.5187 1.5187 1.7162 1.7162 1.7873 1.7873 2.0773 2.0773 2.1927 2.1927 2.3028 2.3028 2.3329 2.3329 2.6591 2.6591 2.6838 2.6838 2.9442 2.9442 2.9918 2.9918 3.2223 3.2223 3.2986 3.2986 3.3918 3.3918 3.4442 3.4442 3.6439 3.6439 3.6970 3.6970 3.7779 3.7779 3.7923 3.7923 4.0032 4.0032 4.0289 4.0289 4.3554 4.3554 4.3819 4.3819 4.5724 4.5724 4.6445 4.6445 4.7230 4.7230 4.7791 4.7791 5.0266 5.0266 5.0316 5.0316 5.3890 5.3890 5.5195 5.5195 6.2137 6.2137 6.2696 6.2696 6.7884 6.7884 6.8911 6.8911 7.4616 7.4616 7.5424 7.5424 8.2085 8.2085 8.4783 8.4783 8.7915 8.7915 8.9833 8.9833 9.4172 9.4172 9.5795 9.5795 10.8390 10.8390 11.0556 11.0556 11.4533 11.4533 k = 0.5000 0.2723 0.0402 ( 11874 PWs) bands (ev): -4.4826 -4.4826 -4.4693 -4.4693 -4.0238 -4.0238 -3.9366 -3.9366 -3.0450 -3.0450 -3.0090 -3.0090 -2.7456 -2.7456 -2.6353 -2.6353 1.4721 1.4721 1.5308 1.5308 1.7162 1.7162 1.8061 1.8061 2.0757 2.0757 2.2191 2.2191 2.3038 2.3038 2.3409 2.3409 2.6560 2.6560 2.6881 2.6881 2.9397 2.9397 3.0018 3.0018 3.2051 3.2051 3.3007 3.3007 3.3937 3.3937 3.4551 3.4551 3.6336 3.6336 3.7018 3.7018 3.7821 3.7821 3.7986 3.7986 3.9979 3.9979 4.0318 4.0318 4.3497 4.3497 4.3839 4.3839 4.5509 4.5509 4.6334 4.6334 4.7339 4.7339 4.7936 4.7936 5.0165 5.0165 5.0267 5.0267 5.3740 5.3740 5.5389 5.5389 6.1207 6.1207 6.2039 6.2039 6.7415 6.7415 6.8570 6.8570 7.4529 7.4529 7.5423 7.5423 8.2497 8.2497 8.5536 8.5536 8.8131 8.8131 9.0463 9.0463 9.4360 9.4360 9.6376 9.6376 10.8262 10.8262 11.1132 11.1132 11.4595 11.4595 k = 0.5000 0.2773 0.0269 ( 11870 PWs) bands (ev): -4.4787 -4.4787 -4.4619 -4.4619 -4.0395 -4.0395 -3.9309 -3.9309 -3.0475 -3.0475 -3.0004 -3.0004 -2.7670 -2.7670 -2.6320 -2.6320 1.4699 1.4699 1.5436 1.5436 1.7197 1.7197 1.8256 1.8256 2.0807 2.0807 2.2406 2.2406 2.3115 2.3115 2.3504 2.3504 2.6532 2.6532 2.6921 2.6921 2.9366 2.9366 3.0120 3.0120 3.1874 3.1874 3.2993 3.2993 3.3993 3.3993 3.4652 3.4652 3.6237 3.6237 3.7056 3.7056 3.7881 3.7881 3.8058 3.8058 3.9924 3.9924 4.0343 4.0343 4.3437 4.3437 4.3846 4.3846 4.5294 4.5294 4.6198 4.6198 4.7469 4.7469 4.8069 4.8069 4.9999 4.9999 5.0243 5.0243 5.3627 5.3627 5.5545 5.5545 6.0185 6.0185 6.1347 6.1347 6.6866 6.6866 6.8001 6.8001 7.4404 7.4404 7.5437 7.5437 8.3154 8.3154 8.6191 8.6191 8.8499 8.8499 9.1088 9.1088 9.4728 9.4728 9.7009 9.7009 10.8217 10.8217 11.1770 11.1770 11.4727 11.4727 k = 0.5000 0.2822 0.0135 ( 11860 PWs) bands (ev): -4.4739 -4.4739 -4.4535 -4.4535 -4.0558 -4.0558 -3.9262 -3.9262 -3.0501 -3.0501 -2.9905 -2.9905 -2.7891 -2.7891 -2.6312 -2.6312 1.4680 1.4680 1.5565 1.5565 1.7264 1.7264 1.8458 1.8458 2.0921 2.0921 2.2531 2.2531 2.3282 2.3282 2.3629 2.3629 2.6506 2.6506 2.6958 2.6958 2.9349 2.9349 3.0225 3.0225 3.1693 3.1693 3.2959 3.2959 3.4067 3.4067 3.4742 3.4742 3.6144 3.6144 3.7090 3.7090 3.7947 3.7947 3.8144 3.8144 3.9866 3.9866 4.0362 4.0362 4.3374 4.3374 4.3834 4.3834 4.5084 4.5084 4.6057 4.6057 4.7597 4.7597 4.8185 4.8185 4.9779 4.9779 5.0244 5.0244 5.3544 5.3544 5.5642 5.5642 5.9137 5.9137 6.0671 6.0671 6.6268 6.6268 6.7250 6.7250 7.4180 7.4180 7.5510 7.5510 8.3985 8.3985 8.6734 8.6734 8.8970 8.8970 9.1682 9.1682 9.5276 9.5276 9.7675 9.7675 10.8266 10.8266 11.2468 11.2468 11.4934 11.4934 k = 0.5000 0.2871 0.0002 ( 11864 PWs) bands (ev): -4.4683 -4.4683 -4.4441 -4.4441 -4.0726 -4.0726 -3.9226 -3.9226 -3.0530 -3.0530 -2.9792 -2.9792 -2.8112 -2.8112 -2.6328 -2.6328 1.4661 1.4661 1.5691 1.5691 1.7356 1.7356 1.8670 1.8670 2.1086 2.1086 2.2587 2.2587 2.3483 2.3483 2.3819 2.3819 2.6480 2.6480 2.6992 2.6992 2.9346 2.9346 3.0331 3.0331 3.1508 3.1508 3.2920 3.2920 3.4142 3.4142 3.4823 3.4823 3.6059 3.6059 3.7124 3.7124 3.8008 3.8008 3.8249 3.8249 3.9807 3.9807 4.0375 4.0375 4.3306 4.3306 4.3798 4.3798 4.4890 4.4890 4.5922 4.5922 4.7710 4.7710 4.8278 4.8278 4.9520 4.9520 5.0275 5.0275 5.3472 5.3472 5.5645 5.5645 5.8139 5.8139 6.0045 6.0045 6.5657 6.5657 6.6379 6.6379 7.3858 7.3858 7.5620 7.5620 8.4916 8.4916 8.7194 8.7194 8.9478 8.9478 9.2227 9.2227 9.5984 9.5984 9.8352 9.8352 10.8421 10.8421 11.3221 11.3221 11.5220 11.5220 k = 0.5000 0.2921-0.0131 ( 11864 PWs) bands (ev): -4.4621 -4.4621 -4.4337 -4.4337 -4.0896 -4.0896 -3.9200 -3.9200 -3.0564 -3.0564 -2.9666 -2.9666 -2.8330 -2.8330 -2.6368 -2.6368 1.4642 1.4642 1.5807 1.5807 1.7466 1.7466 1.8897 1.8897 2.1286 2.1286 2.2619 2.2619 2.3655 2.3655 2.4091 2.4091 2.6451 2.6451 2.7023 2.7023 2.9356 2.9356 3.0439 3.0439 3.1321 3.1321 3.2881 3.2881 3.4205 3.4205 3.4903 3.4903 3.5981 3.5981 3.7166 3.7166 3.8057 3.8057 3.8372 3.8372 3.9746 3.9746 4.0383 4.0383 4.3229 4.3229 4.3732 4.3732 4.4721 4.4721 4.5798 4.5798 4.7794 4.7794 4.8334 4.8334 4.9254 4.9254 5.0342 5.0342 5.3366 5.3366 5.5499 5.5499 5.7310 5.7310 5.9494 5.9494 6.5034 6.5034 6.5470 6.5470 7.3472 7.3472 7.5725 7.5725 8.5875 8.5875 8.7615 8.7615 8.9974 8.9974 9.2710 9.2710 9.6808 9.6808 9.9018 9.9018 10.8696 10.8696 11.4016 11.4016 11.5588 11.5588 k = 0.5000 0.2970-0.0264 ( 11870 PWs) bands (ev): -4.4557 -4.4557 -4.4226 -4.4226 -4.1063 -4.1063 -3.9184 -3.9184 -3.0604 -3.0604 -2.9525 -2.9525 -2.8538 -2.8538 -2.6430 -2.6430 1.4623 1.4623 1.5909 1.5909 1.7590 1.7590 1.9140 1.9140 2.1496 2.1496 2.2657 2.2657 2.3806 2.3806 2.4405 2.4405 2.6415 2.6415 2.7055 2.7055 2.9378 2.9378 3.0550 3.0550 3.1134 3.1134 3.2847 3.2847 3.4246 3.4246 3.4985 3.4985 3.5912 3.5912 3.7217 3.7217 3.8095 3.8095 3.8509 3.8509 3.9683 3.9683 4.0384 4.0384 4.3139 4.3139 4.3639 4.3639 4.4582 4.4582 4.5690 4.5690 4.7835 4.7835 4.8308 4.8308 4.9049 4.9049 5.0445 5.0445 5.3136 5.3136 5.5198 5.5198 5.6768 5.6768 5.9028 5.9028 6.4251 6.4251 6.4739 6.4739 7.3046 7.3046 7.5796 7.5796 8.6773 8.6773 8.8060 8.8060 9.0433 9.0433 9.3123 9.3123 9.7693 9.7693 9.9652 9.9652 10.9099 10.9099 11.4820 11.4820 11.6033 11.6033 k = 0.5000 0.3019-0.0398 ( 11870 PWs) bands (ev): -4.4495 -4.4495 -4.4108 -4.4108 -4.1224 -4.1224 -3.9178 -3.9178 -3.0655 -3.0655 -2.9372 -2.9372 -2.8729 -2.8729 -2.6512 -2.6512 1.4603 1.4603 1.5992 1.5992 1.7724 1.7724 1.9394 1.9394 2.1694 2.1694 2.2723 2.2723 2.3960 2.3960 2.4720 2.4720 2.6369 2.6369 2.7092 2.7092 2.9408 2.9408 3.0654 3.0654 3.0960 3.0960 3.2815 3.2815 3.4268 3.4268 3.5074 3.5074 3.5851 3.5851 3.7278 3.7278 3.8120 3.8120 3.8653 3.8653 3.9620 3.9620 4.0379 4.0379 4.3026 4.3026 4.3531 4.3531 4.4471 4.4471 4.5598 4.5598 4.7817 4.7817 4.8159 4.8159 4.8983 4.8983 5.0574 5.0574 5.2685 5.2685 5.4931 5.4931 5.6451 5.6451 5.8651 5.8651 6.3287 6.3287 6.4260 6.4260 7.2597 7.2597 7.5822 7.5822 8.7490 8.7490 8.8624 8.8624 9.0841 9.0841 9.3462 9.3462 9.8585 9.8585 10.0242 10.0242 10.9636 10.9636 11.5578 11.5578 11.6466 11.6466 k = 0.5000 0.3069-0.0531 ( 11854 PWs) bands (ev): -4.4439 -4.4439 -4.3985 -4.3985 -4.1371 -4.1371 -3.9180 -3.9180 -3.0719 -3.0719 -2.9212 -2.9212 -2.8891 -2.8891 -2.6613 -2.6613 1.4583 1.4583 1.6056 1.6056 1.7863 1.7863 1.9647 1.9647 2.1860 2.1860 2.2828 2.2828 2.4122 2.4122 2.5004 2.5004 2.6312 2.6312 2.7141 2.7141 2.9447 2.9447 3.0661 3.0661 3.0897 3.0897 3.2782 3.2782 3.4278 3.4278 3.5166 3.5166 3.5798 3.5798 3.7345 3.7345 3.8135 3.8135 3.8800 3.8800 3.9557 3.9557 4.0370 4.0370 4.2883 4.2883 4.3429 4.3429 4.4377 4.4377 4.5523 4.5523 4.7707 4.7707 4.7953 4.7953 4.9030 4.9030 5.0686 5.0686 5.2096 5.2096 5.4835 5.4835 5.6218 5.6218 5.8360 5.8360 6.2303 6.2303 6.3911 6.3911 7.2134 7.2134 7.5798 7.5798 8.7965 8.7965 8.9341 8.9341 9.1192 9.1192 9.3724 9.3724 9.9434 9.9434 10.0783 10.0783 11.0301 11.0301 11.6216 11.6216 11.6796 11.6796 k = 0.5000 0.3118-0.0664 ( 11854 PWs) bands (ev): -4.4396 -4.4396 -4.3860 -4.3860 -4.1499 -4.1499 -3.9190 -3.9190 -3.0797 -3.0797 -2.9117 -2.9117 -2.8948 -2.8948 -2.6730 -2.6730 1.4564 1.4564 1.6103 1.6103 1.8002 1.8002 1.9883 1.9883 2.1990 2.1990 2.2974 2.2974 2.4295 2.4295 2.5230 2.5230 2.6245 2.6245 2.7209 2.7209 2.9491 2.9491 3.0512 3.0512 3.1010 3.1010 3.2742 3.2742 3.4286 3.4286 3.5257 3.5257 3.5755 3.5755 3.7416 3.7416 3.8139 3.8139 3.8940 3.8940 3.9494 3.9494 4.0357 4.0357 4.2714 4.2714 4.3344 4.3344 4.4286 4.4286 4.5464 4.5464 4.7509 4.7509 4.7756 4.7756 4.9125 4.9125 5.0623 5.0623 5.1697 5.1697 5.4860 5.4860 5.6008 5.6008 5.8142 5.8142 6.1356 6.1356 6.3663 6.3663 7.1664 7.1664 7.5726 7.5726 8.8291 8.8291 9.0096 9.0096 9.1482 9.1482 9.3910 9.3910 10.0192 10.0192 10.1286 10.1286 11.1077 11.1077 11.6672 11.6672 11.7190 11.7190 k = 0.5000 0.3167-0.0797 ( 11850 PWs) bands (ev): -4.4373 -4.4373 -4.3733 -4.3733 -4.1599 -4.1599 -3.9209 -3.9209 -3.0889 -3.0889 -2.9193 -2.9193 -2.8791 -2.8791 -2.6862 -2.6862 1.4544 1.4544 1.6137 1.6137 1.8134 1.8134 2.0084 2.0084 2.2094 2.2094 2.3149 2.3149 2.4473 2.4473 2.5370 2.5370 2.6175 2.6175 2.7299 2.7299 2.9538 2.9538 3.0352 3.0352 3.1166 3.1166 3.2691 3.2691 3.4301 3.4301 3.5334 3.5334 3.5727 3.5727 3.7486 3.7486 3.8133 3.8133 3.9065 3.9065 3.9438 3.9438 4.0342 4.0342 4.2533 4.2533 4.3277 4.3277 4.4183 4.4183 4.5421 4.5421 4.7296 4.7296 4.7511 4.7511 4.9225 4.9225 5.0304 5.0304 5.1734 5.1734 5.4918 5.4918 5.5830 5.5830 5.7975 5.7975 6.0488 6.0488 6.3504 6.3504 7.1194 7.1194 7.5612 7.5612 8.8541 8.8541 9.0785 9.0785 9.1715 9.1715 9.4025 9.4025 10.0810 10.0810 10.1769 10.1769 11.1937 11.1937 11.6994 11.6994 11.7656 11.7656 k = 0.5000 0.3167-0.0797 ( 11850 PWs) bands (ev): -4.4373 -4.4373 -4.3733 -4.3733 -4.1599 -4.1599 -3.9209 -3.9209 -3.0889 -3.0889 -2.9193 -2.9193 -2.8791 -2.8791 -2.6862 -2.6862 1.4544 1.4544 1.6137 1.6137 1.8134 1.8134 2.0084 2.0084 2.2094 2.2094 2.3149 2.3149 2.4473 2.4473 2.5370 2.5370 2.6175 2.6175 2.7299 2.7299 2.9538 2.9538 3.0352 3.0352 3.1166 3.1166 3.2691 3.2691 3.4301 3.4301 3.5334 3.5334 3.5727 3.5727 3.7486 3.7486 3.8133 3.8133 3.9065 3.9065 3.9438 3.9438 4.0342 4.0342 4.2533 4.2533 4.3277 4.3277 4.4183 4.4183 4.5421 4.5421 4.7296 4.7296 4.7511 4.7511 4.9225 4.9225 5.0304 5.0304 5.1734 5.1734 5.4918 5.4918 5.5830 5.5830 5.7975 5.7975 6.0488 6.0488 6.3504 6.3504 7.1194 7.1194 7.5612 7.5612 8.8541 8.8541 9.0785 9.0785 9.1715 9.1715 9.4025 9.4025 10.0810 10.0810 10.1769 10.1769 11.1937 11.1937 11.6994 11.6994 11.7656 11.7656 k = 0.5000 0.3087-0.0914 ( 11844 PWs) bands (ev): -4.4433 -4.4433 -4.3569 -4.3569 -4.1655 -4.1655 -3.9220 -3.9220 -3.1051 -3.1051 -2.9277 -2.9277 -2.8608 -2.8608 -2.6881 -2.6881 1.4455 1.4455 1.6113 1.6113 1.8159 1.8159 2.0100 2.0100 2.2145 2.2145 2.3232 2.3232 2.4620 2.4620 2.5356 2.5356 2.6126 2.6126 2.7314 2.7314 2.9684 2.9684 3.0293 3.0293 3.1218 3.1218 3.2610 3.2610 3.4366 3.4366 3.5419 3.5419 3.5753 3.5753 3.7608 3.7608 3.8155 3.8155 3.9174 3.9174 3.9450 3.9450 4.0291 4.0291 4.2627 4.2627 4.3341 4.3341 4.4330 4.4330 4.5769 4.5769 4.7201 4.7201 4.7546 4.7546 4.9409 4.9409 5.0161 5.0161 5.2105 5.2105 5.4690 5.4690 5.5725 5.5725 5.7408 5.7408 6.0009 6.0009 6.2649 6.2649 6.9943 6.9943 7.4605 7.4605 8.9462 8.9462 9.1521 9.1521 9.1915 9.1915 9.4674 9.4674 10.1248 10.1248 10.2329 10.2329 11.2664 11.2664 11.7528 11.7528 11.8098 11.8098 k = 0.5000 0.3007-0.1031 ( 11840 PWs) bands (ev): -4.4486 -4.4486 -4.3418 -4.3418 -4.1705 -4.1705 -3.9231 -3.9231 -3.1209 -3.1209 -2.9345 -2.9345 -2.8423 -2.8423 -2.6917 -2.6917 1.4374 1.4374 1.6081 1.6081 1.8195 1.8195 2.0102 2.0102 2.2206 2.2206 2.3329 2.3329 2.4732 2.4732 2.5247 2.5247 2.6080 2.6080 2.7397 2.7397 2.9814 2.9814 3.0272 3.0272 3.1290 3.1290 3.2503 3.2503 3.4430 3.4430 3.5497 3.5497 3.5782 3.5782 3.7711 3.7711 3.8180 3.8180 3.9259 3.9259 3.9504 3.9504 4.0235 4.0235 4.2695 4.2695 4.3413 4.3413 4.4461 4.4461 4.5984 4.5984 4.7107 4.7107 4.7733 4.7733 4.9471 4.9471 5.0038 5.0038 5.2507 5.2507 5.4484 5.4484 5.5644 5.5644 5.7056 5.7056 5.9696 5.9696 6.1835 6.1835 6.8669 6.8669 7.3540 7.3540 9.0373 9.0373 9.1881 9.1881 9.2409 9.2409 9.5335 9.5335 10.1534 10.1534 10.2792 10.2792 11.3329 11.3329 11.7793 11.7793 11.8853 11.8853 k = 0.5000 0.2927-0.1148 ( 11846 PWs) bands (ev): -4.4532 -4.4532 -4.3284 -4.3284 -4.1748 -4.1748 -3.9241 -3.9241 -3.1356 -3.1356 -2.9398 -2.9398 -2.8242 -2.8242 -2.6969 -2.6969 1.4300 1.4300 1.6044 1.6044 1.8238 1.8238 2.0095 2.0095 2.2272 2.2272 2.3435 2.3435 2.4784 2.4784 2.5118 2.5118 2.6024 2.6024 2.7517 2.7517 2.9907 2.9907 3.0300 3.0300 3.1379 3.1379 3.2376 3.2376 3.4492 3.4492 3.5560 3.5560 3.5813 3.5813 3.7789 3.7789 3.8213 3.8213 3.9326 3.9326 3.9588 3.9588 4.0176 4.0176 4.2738 4.2738 4.3496 4.3496 4.4554 4.4554 4.6076 4.6076 4.7052 4.7052 4.8030 4.8030 4.9407 4.9407 5.0023 5.0023 5.2706 5.2706 5.4450 5.4450 5.5472 5.5472 5.6958 5.6958 5.9609 5.9609 6.1095 6.1095 6.7395 6.7395 7.2465 7.2465 9.1228 9.1228 9.2040 9.2040 9.2987 9.2987 9.6018 9.6018 10.1668 10.1668 10.3149 10.3149 11.3934 11.3934 11.7969 11.7969 11.9716 11.9716 k = 0.5000 0.2847-0.1265 ( 11848 PWs) bands (ev): -4.4570 -4.4570 -4.3169 -4.3169 -4.1783 -4.1783 -3.9248 -3.9248 -3.1485 -3.1485 -2.9437 -2.9437 -2.8067 -2.8067 -2.7037 -2.7037 1.4237 1.4237 1.6008 1.6008 1.8282 1.8282 2.0085 2.0085 2.2339 2.2339 2.3543 2.3543 2.4750 2.4750 2.5032 2.5032 2.5967 2.5967 2.7640 2.7640 2.9963 2.9963 3.0369 3.0369 3.1475 3.1475 3.2238 3.2238 3.4549 3.4549 3.5608 3.5608 3.5849 3.5849 3.7838 3.7838 3.8253 3.8253 3.9389 3.9389 3.9678 3.9678 4.0116 4.0116 4.2757 4.2757 4.3595 4.3595 4.4588 4.4588 4.6096 4.6096 4.7081 4.7081 4.8311 4.8311 4.9330 4.9330 5.0067 5.0067 5.2659 5.2659 5.4326 5.4326 5.5599 5.5599 5.6932 5.6932 5.9732 5.9732 6.0510 6.0510 6.6144 6.6144 7.1426 7.1426 9.1936 9.1936 9.2224 9.2224 9.3456 9.3456 9.6715 9.6715 10.1662 10.1662 10.3402 10.3402 11.4474 11.4474 11.8123 11.8123 12.0566 12.0566 k = 0.5000 0.2767-0.1382 ( 11860 PWs) bands (ev): -4.4599 -4.4599 -4.3077 -4.3077 -4.1811 -4.1811 -3.9255 -3.9255 -3.1592 -3.1592 -2.9466 -2.9466 -2.7900 -2.7900 -2.7119 -2.7119 1.4186 1.4186 1.5977 1.5977 1.8322 1.8322 2.0074 2.0074 2.2403 2.2403 2.3639 2.3639 2.4670 2.4670 2.4973 2.4973 2.5923 2.5923 2.7748 2.7748 2.9996 2.9996 3.0457 3.0457 3.1569 3.1569 3.2101 3.2101 3.4597 3.4597 3.5641 3.5641 3.5885 3.5885 3.7864 3.7864 3.8295 3.8295 3.9459 3.9459 3.9750 3.9750 4.0061 4.0061 4.2757 4.2757 4.3712 4.3712 4.4552 4.4552 4.6088 4.6088 4.7206 4.7206 4.8427 4.8427 4.9371 4.9371 5.0113 5.0113 5.2534 5.2534 5.3974 5.3974 5.6078 5.6078 5.6888 5.6888 5.9703 5.9703 6.0438 6.0438 6.4943 6.4943 7.0476 7.0476 9.2174 9.2174 9.2738 9.2738 9.3799 9.3799 9.7400 9.7400 10.1532 10.1532 10.3564 10.3564 11.4932 11.4932 11.8257 11.8257 12.1315 12.1315 k = 0.5000 0.2686-0.1499 ( 11862 PWs) bands (ev): -4.4620 -4.4620 -4.3010 -4.3010 -4.1831 -4.1831 -3.9259 -3.9259 -3.1671 -3.1671 -2.9486 -2.9486 -2.7741 -2.7741 -2.7217 -2.7217 1.4148 1.4148 1.5952 1.5952 1.8354 1.8354 2.0065 2.0065 2.2457 2.2457 2.3710 2.3710 2.4621 2.4621 2.4897 2.4897 2.5897 2.5897 2.7829 2.7829 3.0017 3.0017 3.0543 3.0543 3.1644 3.1644 3.1980 3.1980 3.4635 3.4635 3.5662 3.5662 3.5915 3.5915 3.7875 3.7875 3.8332 3.8332 3.9533 3.9533 3.9788 3.9788 4.0020 4.0020 4.2746 4.2746 4.3844 4.3844 4.4457 4.4457 4.6077 4.6077 4.7408 4.7408 4.8348 4.8348 4.9532 4.9532 5.0130 5.0130 5.2446 5.2446 5.3615 5.3615 5.6530 5.6530 5.6857 5.6857 5.9540 5.9540 6.0829 6.0829 6.3837 6.3837 6.9683 6.9683 9.2251 9.2251 9.3241 9.3241 9.4021 9.4021 9.8023 9.8023 10.1317 10.1317 10.3655 10.3655 11.5287 11.5287 11.8365 11.8365 12.1853 12.1853 k = 0.5000 0.2606-0.1616 ( 11862 PWs) bands (ev): -4.4633 -4.4633 -4.2968 -4.2968 -4.1843 -4.1843 -3.9262 -3.9262 -3.1719 -3.1719 -2.9497 -2.9497 -2.7592 -2.7592 -2.7329 -2.7329 1.4125 1.4125 1.5937 1.5937 1.8375 1.8375 2.0060 2.0060 2.2494 2.2494 2.3747 2.3747 2.4633 2.4633 2.4803 2.4803 2.5886 2.5886 2.7879 2.7879 3.0031 3.0031 3.0607 3.0607 3.1691 3.1691 3.1898 3.1898 3.4658 3.4658 3.5674 3.5674 3.5935 3.5935 3.7879 3.7879 3.8356 3.8356 3.9603 3.9603 3.9779 3.9779 4.0006 4.0006 4.2734 4.2734 4.3984 4.3984 4.4329 4.4329 4.6071 4.6071 4.7649 4.7649 4.8167 4.8167 4.9697 4.9697 5.0110 5.0110 5.2415 5.2415 5.3360 5.3360 5.6739 5.6739 5.6876 5.6876 5.9606 5.9606 6.1239 6.1239 6.2923 6.2923 6.9141 6.9141 9.2293 9.2293 9.3577 9.3577 9.4134 9.4134 9.8500 9.8500 10.1090 10.1090 10.3698 10.3698 11.5513 11.5513 11.8435 11.8435 12.2136 12.2136 k = 0.5000 0.2526-0.1732 ( 11852 PWs) bands (ev): -4.4637 -4.4637 -4.2954 -4.2954 -4.1847 -4.1847 -3.9263 -3.9263 -3.1736 -3.1736 -2.9501 -2.9501 -2.7455 -2.7455 -2.7454 -2.7454 1.4117 1.4117 1.5932 1.5932 1.8382 1.8382 2.0058 2.0058 2.2507 2.2507 2.3757 2.3757 2.4681 2.4681 2.4728 2.4728 2.5884 2.5884 2.7896 2.7896 3.0035 3.0035 3.0631 3.0631 3.1705 3.1705 3.1870 3.1870 3.4667 3.4667 3.5678 3.5678 3.5942 3.5942 3.7880 3.7880 3.8364 3.8364 3.9641 3.9641 3.9759 3.9759 4.0005 4.0005 4.2729 4.2729 4.4080 4.4080 4.4235 4.4235 4.6069 4.6069 4.7836 4.7836 4.7999 4.7999 4.9770 4.9770 5.0089 5.0089 5.2413 5.2413 5.3266 5.3266 5.6786 5.6786 5.6884 5.6884 5.9709 5.9709 6.1461 6.1461 6.2488 6.2488 6.8945 6.8945 9.2306 9.2306 9.3699 9.3699 9.4165 9.4165 9.8690 9.8690 10.0984 10.0984 10.3710 10.3710 11.5591 11.5591 11.8459 11.8459 12.2223 12.2223 k = 0.5000 0.2526-0.1732 ( 11852 PWs) bands (ev): -4.4637 -4.4637 -4.2954 -4.2954 -4.1847 -4.1847 -3.9263 -3.9263 -3.1736 -3.1736 -2.9501 -2.9501 -2.7455 -2.7455 -2.7454 -2.7454 1.4117 1.4117 1.5932 1.5932 1.8382 1.8382 2.0058 2.0058 2.2507 2.2507 2.3757 2.3757 2.4681 2.4681 2.4728 2.4728 2.5884 2.5884 2.7896 2.7896 3.0035 3.0035 3.0631 3.0631 3.1705 3.1705 3.1870 3.1870 3.4667 3.4667 3.5678 3.5678 3.5942 3.5942 3.7880 3.7880 3.8364 3.8364 3.9641 3.9641 3.9759 3.9759 4.0005 4.0005 4.2729 4.2729 4.4080 4.4080 4.4235 4.4235 4.6069 4.6069 4.7836 4.7836 4.7999 4.7999 4.9770 4.9770 5.0089 5.0089 5.2413 5.2413 5.3266 5.3266 5.6786 5.6786 5.6884 5.6884 5.9709 5.9709 6.1461 6.1461 6.2488 6.2488 6.8945 6.8945 9.2306 9.2306 9.3699 9.3699 9.4165 9.4165 9.8690 9.8690 10.0984 10.0984 10.3710 10.3710 11.5591 11.5591 11.8459 11.8459 12.2223 12.2223 k = 0.4861 0.2526-0.1732 ( 11852 PWs) bands (ev): -4.4658 -4.4658 -4.2957 -4.2957 -4.1868 -4.1868 -3.9260 -3.9260 -3.1751 -3.1751 -2.9492 -2.9492 -2.7444 -2.7444 -2.7431 -2.7431 1.4123 1.4123 1.5942 1.5942 1.8388 1.8388 2.0065 2.0065 2.2501 2.2501 2.3773 2.3773 2.4650 2.4650 2.4771 2.4771 2.5891 2.5891 2.7897 2.7897 3.0034 3.0034 3.0636 3.0636 3.1682 3.1682 3.1889 3.1889 3.4659 3.4659 3.5673 3.5673 3.5936 3.5936 3.7878 3.7878 3.8358 3.8358 3.9628 3.9628 3.9759 3.9759 3.9997 3.9997 4.2689 4.2689 4.3950 4.3950 4.4358 4.4358 4.6056 4.6056 4.7832 4.7832 4.8015 4.8015 4.9682 4.9682 5.0126 5.0126 5.2350 5.2350 5.3460 5.3460 5.6408 5.6408 5.7300 5.7300 5.9715 5.9715 6.1205 6.1205 6.2822 6.2822 6.9010 6.9010 9.2296 9.2296 9.3642 9.3642 9.4157 9.4157 9.8650 9.8650 10.1006 10.1006 10.3720 10.3720 11.5577 11.5577 11.8457 11.8457 12.1649 12.1649 k = 0.4722 0.2526-0.1732 ( 11854 PWs) bands (ev): -4.4721 -4.4721 -4.2964 -4.2964 -4.1932 -4.1932 -3.9252 -3.9252 -3.1794 -3.1794 -2.9467 -2.9467 -2.7409 -2.7409 -2.7370 -2.7370 1.4141 1.4141 1.5974 1.5974 1.8408 1.8408 2.0089 2.0089 2.2483 2.2483 2.3817 2.3817 2.4619 2.4619 2.4841 2.4841 2.5912 2.5912 2.7902 2.7902 3.0029 3.0029 3.0650 3.0650 3.1632 3.1632 3.1928 3.1928 3.4636 3.4636 3.5660 3.5660 3.5920 3.5920 3.7871 3.7871 3.8340 3.8340 3.9590 3.9590 3.9758 3.9758 3.9976 3.9976 4.2582 4.2582 4.3762 4.3762 4.4515 4.4515 4.6019 4.6019 4.7828 4.7828 4.8034 4.8034 4.9502 4.9502 5.0193 5.0193 5.2276 5.2276 5.3894 5.3894 5.6044 5.6044 5.7781 5.7781 5.9711 5.9711 6.0838 6.0838 6.3457 6.3457 6.9203 6.9203 9.2263 9.2263 9.3482 9.3482 9.4131 9.4131 9.8532 9.8532 10.1066 10.1066 10.3747 10.3747 11.5535 11.5535 11.8448 11.8448 12.0901 12.0901 k = 0.4583 0.2526-0.1732 ( 11852 PWs) bands (ev): -4.4821 -4.4821 -4.2979 -4.2979 -4.2034 -4.2034 -3.9242 -3.9242 -3.1865 -3.1865 -2.9425 -2.9425 -2.7351 -2.7351 -2.7271 -2.7271 1.4169 1.4169 1.6025 1.6025 1.8442 1.8442 2.0129 2.0129 2.2457 2.2457 2.3881 2.3881 2.4606 2.4606 2.4922 2.4922 2.5946 2.5946 2.7911 2.7911 3.0021 3.0021 3.0672 3.0672 3.1572 3.1572 3.1971 3.1971 3.4598 3.4598 3.5639 3.5639 3.5893 3.5893 3.7856 3.7856 3.8313 3.8313 3.9530 3.9530 3.9750 3.9750 3.9944 3.9944 4.2432 4.2432 4.3560 4.3560 4.4642 4.4642 4.5964 4.5964 4.7821 4.7821 4.8013 4.8013 4.9314 4.9314 5.0296 5.0296 5.2260 5.2260 5.4389 5.4389 5.5788 5.5788 5.8243 5.8243 5.9635 5.9635 6.0680 6.0680 6.4180 6.4180 6.9516 6.9516 9.2209 9.2209 9.3237 9.3237 9.4079 9.4079 9.8341 9.8341 10.1150 10.1150 10.3785 10.3785 11.5465 11.5465 11.8432 11.8432 12.0145 12.0145 k = 0.4444 0.2526-0.1732 ( 11862 PWs) bands (ev): -4.4956 -4.4956 -4.3002 -4.3002 -4.2170 -4.2170 -3.9233 -3.9233 -3.1959 -3.1959 -2.9368 -2.9368 -2.7270 -2.7270 -2.7137 -2.7137 1.4208 1.4208 1.6094 1.6094 1.8489 1.8489 2.0184 2.0184 2.2426 2.2426 2.3950 2.3950 2.4622 2.4622 2.5013 2.5013 2.5995 2.5995 2.7924 2.7924 3.0013 3.0013 3.0700 3.0700 3.1510 3.1510 3.2012 3.2012 3.4546 3.4546 3.5610 3.5610 3.5859 3.5859 3.7827 3.7827 3.8280 3.8280 3.9452 3.9452 3.9732 3.9732 3.9903 3.9903 4.2266 4.2266 4.3343 4.3343 4.4728 4.4728 4.5885 4.5885 4.7759 4.7759 4.7966 4.7966 4.9177 4.9177 5.0476 5.0476 5.2277 5.2277 5.4709 5.4709 5.5823 5.5823 5.8567 5.8567 5.9581 5.9581 6.0814 6.0814 6.4949 6.4949 6.9935 6.9935 9.2130 9.2130 9.2927 9.2927 9.3999 9.3999 9.8086 9.8086 10.1238 10.1238 10.3827 10.3827 11.5366 11.5366 11.8401 11.8401 11.9405 11.9405 k = 0.4306 0.2526-0.1732 ( 11878 PWs) bands (ev): -4.5121 -4.5121 -4.3037 -4.3037 -4.2336 -4.2336 -3.9227 -3.9227 -3.2075 -3.2075 -2.9297 -2.9297 -2.7168 -2.7168 -2.6973 -2.6973 1.4255 1.4255 1.6179 1.6179 1.8549 1.8549 2.0256 2.0256 2.2392 2.2392 2.4007 2.4007 2.4676 2.4676 2.5113 2.5113 2.6056 2.6056 2.7943 2.7943 3.0005 3.0005 3.0730 3.0730 3.1449 3.1449 3.2049 3.2049 3.4482 3.4482 3.5574 3.5574 3.5819 3.5819 3.7781 3.7781 3.8246 3.8246 3.9357 3.9357 3.9704 3.9704 3.9857 3.9857 4.2108 4.2108 4.3112 4.3112 4.4778 4.4778 4.5773 4.5773 4.7595 4.7595 4.7926 4.7926 4.9139 4.9139 5.0733 5.0733 5.2294 5.2294 5.4671 5.4671 5.6302 5.6302 5.8582 5.8582 5.9835 5.9835 6.1160 6.1160 6.5748 6.5748 7.0446 7.0446 9.2023 9.2023 9.2577 9.2577 9.3891 9.3891 9.7774 9.7774 10.1312 10.1312 10.3859 10.3859 11.5237 11.5237 11.8297 11.8297 11.8746 11.8746 k = 0.4167 0.2526-0.1732 ( 11876 PWs) bands (ev): -4.5311 -4.5311 -4.3085 -4.3085 -4.2526 -4.2526 -3.9228 -3.9228 -3.2207 -3.2207 -2.9214 -2.9214 -2.7046 -2.7046 -2.6782 -2.6782 1.4309 1.4309 1.6277 1.6277 1.8622 1.8622 2.0344 2.0344 2.2359 2.2359 2.4042 2.4042 2.4772 2.4772 2.5222 2.5222 2.6132 2.6132 2.7969 2.7969 2.9999 2.9999 3.0759 3.0759 3.1394 3.1394 3.2083 3.2083 3.4409 3.4409 3.5532 3.5532 3.5776 3.5776 3.7716 3.7716 3.8211 3.8211 3.9249 3.9249 3.9664 3.9664 3.9806 3.9806 4.1970 4.1970 4.2873 4.2873 4.4798 4.4798 4.5620 4.5620 4.7376 4.7376 4.7862 4.7862 4.9216 4.9216 5.1039 5.1039 5.2295 5.2295 5.4486 5.4486 5.6980 5.6980 5.8463 5.8463 6.0316 6.0316 6.1654 6.1654 6.6569 6.6569 7.1035 7.1035 9.1870 9.1870 9.2220 9.2220 9.3752 9.3752 9.7410 9.7410 10.1357 10.1357 10.3869 10.3869 11.5074 11.5074 11.7823 11.7823 11.8474 11.8474 k = 0.4028 0.2526-0.1732 ( 11874 PWs) bands (ev): -4.5523 -4.5523 -4.3147 -4.3147 -4.2736 -4.2736 -3.9237 -3.9237 -3.2354 -3.2354 -2.9121 -2.9121 -2.6906 -2.6906 -2.6568 -2.6568 1.4369 1.4369 1.6384 1.6384 1.8708 1.8708 2.0448 2.0448 2.2327 2.2327 2.4058 2.4058 2.4897 2.4897 2.5337 2.5337 2.6225 2.6225 2.8003 2.8003 2.9995 2.9995 3.0784 3.0784 3.1348 3.1348 3.2114 3.2114 3.4329 3.4329 3.5481 3.5481 3.5732 3.5732 3.7635 3.7635 3.8171 3.8171 3.9133 3.9133 3.9615 3.9615 3.9752 3.9752 4.1861 4.1861 4.2635 4.2635 4.4790 4.4790 4.5426 4.5426 4.7150 4.7150 4.7780 4.7780 4.9376 4.9376 5.1353 5.1353 5.2283 5.2283 5.4280 5.4280 5.7656 5.7656 5.8470 5.8470 6.0885 6.0885 6.2258 6.2258 6.7403 6.7403 7.1687 7.1687 9.1620 9.1620 9.1925 9.1925 9.3581 9.3581 9.7000 9.7000 10.1359 10.1359 10.3843 10.3843 11.4873 11.4873 11.7171 11.7171 11.8406 11.8406 k = 0.3889 0.2526-0.1732 ( 11876 PWs) bands (ev): -4.5751 -4.5751 -4.3226 -4.3226 -4.2959 -4.2959 -3.9257 -3.9257 -3.2512 -3.2512 -2.9019 -2.9019 -2.6749 -2.6749 -2.6335 -2.6335 1.4432 1.4432 1.6496 1.6496 1.8803 1.8803 2.0569 2.0569 2.2299 2.2299 2.4062 2.4062 2.5037 2.5037 2.5457 2.5457 2.6336 2.6336 2.8046 2.8046 2.9992 2.9992 3.0802 3.0802 3.1315 3.1315 3.2144 3.2144 3.4248 3.4248 3.5421 3.5421 3.5690 3.5690 3.7543 3.7543 3.8118 3.8118 3.9015 3.9015 3.9561 3.9561 3.9693 3.9693 4.1779 4.1779 4.2413 4.2413 4.4752 4.4752 4.5204 4.5204 4.6946 4.6946 4.7703 4.7703 4.9570 4.9570 5.1625 5.1625 5.2283 5.2283 5.4089 5.4089 5.8046 5.8046 5.8913 5.8913 6.1502 6.1502 6.2944 6.2944 6.8246 6.8246 7.2388 7.2388 9.1271 9.1271 9.1709 9.1709 9.3378 9.3378 9.6548 9.6548 10.1309 10.1309 10.3767 10.3767 11.4626 11.4626 11.6538 11.6538 11.8352 11.8352 k = 0.3750 0.2526-0.1732 ( 11878 PWs) bands (ev): -4.5993 -4.5993 -4.3330 -4.3330 -4.3182 -4.3182 -3.9288 -3.9288 -3.2680 -3.2680 -2.8910 -2.8910 -2.6579 -2.6579 -2.6087 -2.6087 1.4498 1.4498 1.6611 1.6611 1.8904 1.8904 2.0705 2.0705 2.2275 2.2275 2.4063 2.4063 2.5173 2.5173 2.5580 2.5580 2.6468 2.6468 2.8099 2.8099 2.9991 2.9991 3.0810 3.0810 3.1298 3.1298 3.2176 3.2176 3.4170 3.4170 3.5351 3.5351 3.5652 3.5652 3.7445 3.7445 3.8046 3.8046 3.8901 3.8901 3.9502 3.9502 3.9631 3.9631 4.1717 4.1717 4.2225 4.2225 4.4665 4.4665 4.4980 4.4980 4.6782 4.6782 4.7646 4.7646 4.9756 4.9756 5.1780 5.1780 5.2355 5.2355 5.3934 5.3934 5.8257 5.8257 5.9695 5.9695 6.2157 6.2157 6.3692 6.3692 6.9091 6.9091 7.3125 7.3125 9.0901 9.0901 9.1508 9.1508 9.3141 9.3141 9.6060 9.6060 10.1202 10.1202 10.3630 10.3630 11.4328 11.4328 11.5955 11.5955 11.8290 11.8290 k = 0.3611 0.2526-0.1732 ( 11880 PWs) bands (ev): -4.6246 -4.6246 -4.3502 -4.3502 -4.3359 -4.3359 -3.9330 -3.9330 -3.2855 -3.2855 -2.8797 -2.8797 -2.6396 -2.6396 -2.5826 -2.5826 1.4564 1.4564 1.6725 1.6725 1.9009 1.9009 2.0855 2.0855 2.2256 2.2256 2.4065 2.4065 2.5293 2.5293 2.5710 2.5710 2.6616 2.6616 2.8163 2.8163 2.9990 2.9990 3.0809 3.0809 3.1295 3.1295 3.2212 3.2212 3.4102 3.4102 3.5271 3.5271 3.5619 3.5619 3.7345 3.7345 3.7952 3.7952 3.8791 3.8791 3.9436 3.9436 3.9574 3.9574 4.1651 4.1651 4.2101 4.2101 4.4498 4.4498 4.4800 4.4800 4.6671 4.6671 4.7616 4.7616 4.9903 4.9903 5.1783 5.1783 5.2524 5.2524 5.3841 5.3841 5.8535 5.8535 6.0566 6.0566 6.2842 6.2842 6.4487 6.4487 6.9931 6.9931 7.3887 7.3887 9.0546 9.0546 9.1297 9.1297 9.2869 9.2869 9.5538 9.5538 10.1032 10.1032 10.3420 10.3420 11.3974 11.3974 11.5432 11.5432 11.8209 11.8209 k = 0.3472 0.2526-0.1732 ( 11874 PWs) bands (ev): -4.6507 -4.6507 -4.3739 -4.3739 -4.3488 -4.3488 -3.9383 -3.9383 -3.3035 -3.3035 -2.8680 -2.8680 -2.6203 -2.6203 -2.5556 -2.5556 1.4630 1.4630 1.6836 1.6836 1.9111 1.9111 2.1015 2.1015 2.2246 2.2246 2.4073 2.4073 2.5386 2.5386 2.5851 2.5851 2.6774 2.6774 2.8241 2.8241 2.9990 2.9990 3.0805 3.0805 3.1304 3.1304 3.2256 3.2256 3.4048 3.4048 3.5182 3.5182 3.5592 3.5592 3.7245 3.7245 3.7840 3.7840 3.8681 3.8681 3.9355 3.9355 3.9533 3.9533 4.1559 4.1559 4.2065 4.2065 4.4259 4.4259 4.4670 4.4670 4.6619 4.6619 4.7614 4.7614 4.9995 4.9995 5.1695 5.1695 5.2719 5.2719 5.3835 5.3835 5.8917 5.8917 6.1471 6.1471 6.3550 6.3550 6.5316 6.5316 7.0758 7.0758 7.4661 7.4661 9.0225 9.0225 9.1070 9.1070 9.2563 9.2563 9.4988 9.4988 10.0797 10.0797 10.3132 10.3132 11.3574 11.3574 11.4964 11.4964 11.8105 11.8105 k = 0.3333 0.2526-0.1732 ( 11866 PWs) bands (ev): -4.6773 -4.6773 -4.3994 -4.3994 -4.3613 -4.3613 -3.9447 -3.9447 -3.3219 -3.3219 -2.8561 -2.8561 -2.6003 -2.6003 -2.5280 -2.5280 1.4693 1.4693 1.6942 1.6942 1.9207 1.9207 2.1177 2.1177 2.2248 2.2248 2.4090 2.4090 2.5452 2.5452 2.6002 2.6002 2.6929 2.6929 2.8333 2.8333 2.9991 2.9991 3.0800 3.0800 3.1319 3.1319 3.2311 3.2311 3.4014 3.4014 3.5087 3.5087 3.5571 3.5571 3.7146 3.7146 3.7717 3.7717 3.8567 3.8567 3.9259 3.9259 3.9510 3.9510 4.1455 4.1455 4.2108 4.2108 4.4003 4.4003 4.4561 4.4561 4.6622 4.6622 4.7640 4.7640 5.0031 5.0031 5.1561 5.1561 5.2892 5.2892 5.3936 5.3936 5.9392 5.9392 6.2392 6.2392 6.4274 6.4274 6.6169 6.6169 7.1565 7.1565 7.5433 7.5433 8.9947 8.9947 9.0829 9.0829 9.2224 9.2224 9.4416 9.4416 10.0493 10.0493 10.2765 10.2765 11.3149 11.3149 11.4533 11.4533 11.7973 11.7973 k = 0.3194 0.2526-0.1732 ( 11856 PWs) bands (ev): -4.7041 -4.7041 -4.4254 -4.4254 -4.3742 -4.3742 -3.9520 -3.9520 -3.3406 -3.3406 -2.8442 -2.8442 -2.5798 -2.5798 -2.4999 -2.4999 1.4753 1.4753 1.7043 1.7043 1.9293 1.9293 2.1331 2.1331 2.2269 2.2269 2.4118 2.4118 2.5498 2.5498 2.6161 2.6161 2.7069 2.7069 2.8439 2.8439 2.9995 2.9995 3.0797 3.0797 3.1339 3.1339 3.2377 3.2377 3.4004 3.4004 3.4990 3.4990 3.5557 3.5557 3.7046 3.7046 3.7590 3.7590 3.8445 3.8445 3.9149 3.9149 3.9502 3.9502 4.1357 4.1357 4.2201 4.2201 4.3764 4.3764 4.4467 4.4467 4.6673 4.6673 4.7693 4.7693 5.0019 5.0019 5.1408 5.1408 5.3024 5.3024 5.4141 5.4141 5.9939 5.9939 6.3321 6.3321 6.5012 6.5012 6.7034 6.7034 7.2341 7.2341 7.6190 7.6190 8.9714 8.9714 9.0578 9.0578 9.1855 9.1855 9.3832 9.3832 10.0119 10.0119 10.2322 10.2322 11.2725 11.2725 11.4120 11.4120 11.7810 11.7810 k = 0.3056 0.2526-0.1732 ( 11858 PWs) bands (ev): -4.7310 -4.7310 -4.4514 -4.4514 -4.3877 -4.3877 -3.9602 -3.9602 -3.3593 -3.3593 -2.8323 -2.8323 -2.5590 -2.5590 -2.4715 -2.4715 1.4808 1.4808 1.7137 1.7137 1.9365 1.9365 2.1462 2.1462 2.2318 2.2318 2.4156 2.4156 2.5532 2.5532 2.6323 2.6323 2.7187 2.7187 2.8553 2.8553 3.0005 3.0005 3.0795 3.0795 3.1362 3.1362 3.2453 3.2453 3.4019 3.4019 3.4893 3.4893 3.5550 3.5550 3.6944 3.6944 3.7468 3.7468 3.8316 3.8316 3.9033 3.9033 3.9502 3.9502 4.1272 4.1272 4.2321 4.2321 4.3573 4.3573 4.4393 4.4393 4.6764 4.6764 4.7773 4.7773 4.9973 4.9973 5.1261 5.1261 5.3126 5.3126 5.4423 5.4423 6.0535 6.0535 6.4247 6.4247 6.5761 6.5761 6.7901 6.7901 7.3075 7.3075 7.6915 7.6915 8.9524 8.9524 9.0325 9.0325 9.1464 9.1464 9.3247 9.3247 9.9672 9.9672 10.1815 10.1815 11.2319 11.2319 11.3714 11.3714 11.7618 11.7618 k = 0.2917 0.2526-0.1732 ( 11850 PWs) bands (ev): -4.7578 -4.7578 -4.4774 -4.4774 -4.4017 -4.4017 -3.9692 -3.9692 -3.3781 -3.3781 -2.8206 -2.8206 -2.5381 -2.5381 -2.4432 -2.4432 1.4858 1.4858 1.7224 1.7224 1.9421 1.9421 2.1555 2.1555 2.2399 2.2399 2.4200 2.4200 2.5564 2.5564 2.6484 2.6484 2.7281 2.7281 2.8668 2.8668 3.0025 3.0025 3.0795 3.0795 3.1391 3.1391 3.2536 3.2536 3.4056 3.4056 3.4802 3.4802 3.5553 3.5553 3.6840 3.6840 3.7352 3.7352 3.8185 3.8185 3.8913 3.8913 3.9505 3.9505 4.1193 4.1193 4.2438 4.2438 4.3472 4.3472 4.4349 4.4349 4.6886 4.6886 4.7881 4.7881 4.9900 4.9900 5.1144 5.1144 5.3211 5.3211 5.4750 5.4750 6.1158 6.1158 6.5163 6.5163 6.6520 6.6520 6.8759 6.8759 7.3756 7.3756 7.7590 7.7590 8.9360 8.9360 9.0081 9.0081 9.1069 9.1069 9.2681 9.2681 9.9152 9.9152 10.1257 10.1257 11.1944 11.1944 11.3310 11.3310 11.7404 11.7404 k = 0.2778 0.2526-0.1732 ( 11856 PWs) bands (ev): -4.7843 -4.7843 -4.5030 -4.5030 -4.4159 -4.4159 -3.9787 -3.9787 -3.3967 -3.3967 -2.8092 -2.8092 -2.5173 -2.5173 -2.4151 -2.4151 1.4902 1.4902 1.7306 1.7306 1.9460 1.9460 2.1609 2.1609 2.2511 2.2511 2.4246 2.4246 2.5603 2.5603 2.6639 2.6639 2.7357 2.7357 2.8772 2.8772 3.0057 3.0057 3.0797 3.0797 3.1427 3.1427 3.2623 3.2623 3.4109 3.4109 3.4722 3.4722 3.5568 3.5568 3.6734 3.6734 3.7245 3.7245 3.8057 3.8057 3.8796 3.8796 3.9507 3.9507 4.1107 4.1107 4.2515 4.2515 4.3506 4.3506 4.4343 4.4343 4.7034 4.7034 4.8017 4.8017 4.9808 4.9808 5.1079 5.1079 5.3289 5.3289 5.5098 5.5098 6.1792 6.1792 6.6060 6.6060 6.7286 6.7286 6.9595 6.9595 7.4370 7.4370 7.8192 7.8192 8.9190 8.9190 8.9844 8.9844 9.0710 9.0710 9.2159 9.2159 9.8560 9.8560 10.0668 10.0668 11.1608 11.1608 11.2912 11.2912 11.7176 11.7176 k = 0.2639 0.2526-0.1732 ( 11848 PWs) bands (ev): -4.8103 -4.8103 -4.5281 -4.5281 -4.4303 -4.4303 -3.9887 -3.9887 -3.4152 -3.4152 -2.7980 -2.7980 -2.4967 -2.4967 -2.3873 -2.3873 1.4939 1.4939 1.7381 1.7381 1.9483 1.9483 2.1632 2.1632 2.2640 2.2640 2.4285 2.4285 2.5660 2.5660 2.6781 2.6781 2.7423 2.7423 2.8855 2.8855 3.0099 3.0099 3.0804 3.0804 3.1470 3.1470 3.2708 3.2708 3.4164 3.4164 3.4661 3.4661 3.5593 3.5593 3.6631 3.6631 3.7143 3.7143 3.7944 3.7944 3.8684 3.8684 3.9510 3.9510 4.1002 4.1002 4.2542 4.2542 4.3687 4.3687 4.4386 4.4386 4.7201 4.7201 4.8180 4.8180 4.9708 4.9708 5.1082 5.1082 5.3368 5.3368 5.5450 5.5450 6.2420 6.2420 6.6929 6.6929 6.8053 6.8053 7.0398 7.0398 7.4904 7.4904 7.8696 7.8696 8.8985 8.8985 8.9569 8.9569 9.0460 9.0460 9.1719 9.1719 9.7903 9.7903 10.0067 10.0067 11.1312 11.1312 11.2528 11.2528 11.6949 11.6949 k = 0.2500 0.2526-0.1732 ( 11844 PWs) bands (ev): -4.8357 -4.8357 -4.5525 -4.5525 -4.4448 -4.4448 -3.9991 -3.9991 -3.4333 -3.4333 -2.7873 -2.7873 -2.4766 -2.4766 -2.3601 -2.3601 1.4969 1.4969 1.7449 1.7449 1.9490 1.9490 2.1633 2.1633 2.2774 2.2774 2.4307 2.4307 2.5738 2.5738 2.6904 2.6904 2.7490 2.7490 2.8915 2.8915 3.0144 3.0144 3.0823 3.0823 3.1519 3.1519 3.2787 3.2787 3.4202 3.4202 3.4635 3.4635 3.5626 3.5626 3.6535 3.6535 3.7043 3.7043 3.7856 3.7856 3.8583 3.8583 3.9515 3.9515 4.0876 4.0876 4.2548 4.2548 4.3972 4.3972 4.4488 4.4488 4.7384 4.7384 4.8366 4.8366 4.9615 4.9615 5.1160 5.1160 5.3451 5.3451 5.5795 5.5795 6.3030 6.3030 6.7763 6.7763 6.8812 6.8812 7.1154 7.1154 7.5343 7.5343 7.9073 7.9073 8.8744 8.8744 8.9220 8.9220 9.0337 9.0337 9.1423 9.1423 9.7196 9.7196 9.9471 9.9471 11.1057 11.1057 11.2173 11.2173 11.6736 11.6736 k = 0.2361 0.2526-0.1732 ( 11842 PWs) bands (ev): -4.8604 -4.8604 -4.5762 -4.5762 -4.4591 -4.4591 -4.0097 -4.0097 -3.4509 -3.4509 -2.7770 -2.7770 -2.4570 -2.4570 -2.3336 -2.3336 1.4992 1.4992 1.7512 1.7512 1.9483 1.9483 2.1621 2.1621 2.2904 2.2904 2.4308 2.4308 2.5838 2.5838 2.7001 2.7001 2.7568 2.7568 2.8953 2.8953 3.0178 3.0178 3.0862 3.0862 3.1571 3.1571 3.2854 3.2854 3.4204 3.4204 3.4655 3.4655 3.5655 3.5655 3.6453 3.6453 3.6945 3.6945 3.7802 3.7802 3.8495 3.8495 3.9525 3.9525 4.0734 4.0734 4.2550 4.2550 4.4301 4.4301 4.4677 4.4677 4.7581 4.7581 4.8563 4.8563 4.9552 4.9552 5.1320 5.1320 5.3542 5.3542 5.6125 5.6125 6.3615 6.3615 6.8554 6.8554 6.9544 6.9544 7.1852 7.1852 7.5676 7.5676 7.9294 7.9294 8.8477 8.8477 8.8849 8.8849 9.0235 9.0235 9.1347 9.1347 9.6467 9.6467 9.8898 9.8898 11.0838 11.0838 11.1860 11.1860 11.6555 11.6555 k = 0.2222 0.2526-0.1732 ( 11848 PWs) bands (ev): -4.8842 -4.8842 -4.5991 -4.5991 -4.4733 -4.4733 -4.0204 -4.0204 -3.4681 -3.4681 -2.7671 -2.7671 -2.4382 -2.4382 -2.3079 -2.3079 1.5009 1.5009 1.7568 1.7568 1.9463 1.9463 2.1602 2.1602 2.3025 2.3025 2.4287 2.4287 2.5952 2.5952 2.7071 2.7071 2.7663 2.7663 2.8977 2.8977 3.0194 3.0194 3.0923 3.0923 3.1622 3.1622 3.2905 3.2905 3.4174 3.4174 3.4717 3.4717 3.5668 3.5668 3.6386 3.6386 3.6853 3.6853 3.7788 3.7788 3.8425 3.8425 3.9544 3.9544 4.0587 4.0587 4.2552 4.2552 4.4597 4.4597 4.5000 4.5000 4.7788 4.7788 4.8754 4.8754 4.9555 4.9555 5.1563 5.1563 5.3645 5.3645 5.6435 5.6435 6.4167 6.4167 6.9296 6.9296 7.0224 7.0224 7.2479 7.2479 7.5893 7.5893 7.9336 7.9336 8.8191 8.8191 8.8529 8.8529 9.0100 9.0100 9.1486 9.1486 9.5755 9.5755 9.8361 9.8361 11.0650 11.0650 11.1605 11.1605 11.6422 11.6422 k = 0.2083 0.2526-0.1732 ( 11844 PWs) bands (ev): -4.9070 -4.9070 -4.6210 -4.6210 -4.4871 -4.4871 -4.0311 -4.0311 -3.4847 -3.4847 -2.7578 -2.7578 -2.4202 -2.4202 -2.2832 -2.2832 1.5018 1.5018 1.7618 1.7618 1.9434 1.9434 2.1579 2.1579 2.3136 2.3136 2.4248 2.4248 2.6072 2.6072 2.7117 2.7117 2.7773 2.7773 2.8992 2.8992 3.0190 3.0190 3.1002 3.1002 3.1668 3.1668 3.2938 3.2938 3.4127 3.4127 3.4800 3.4800 3.5660 3.5660 3.6327 3.6327 3.6779 3.6779 3.7810 3.7810 3.8377 3.8377 3.9575 3.9575 4.0447 4.0447 4.2552 4.2552 4.4852 4.4852 4.5441 4.5441 4.7999 4.7999 4.8915 4.8915 4.9665 4.9665 5.1887 5.1887 5.3765 5.3765 5.6724 5.6724 6.4684 6.4684 6.9974 6.9974 7.0826 7.0826 7.3024 7.3024 7.5991 7.5991 7.9192 7.9192 8.7902 8.7902 8.8291 8.8291 8.9972 8.9972 9.1739 9.1739 9.5119 9.5119 9.7878 9.7878 11.0488 11.0488 11.1421 11.1421 11.6352 11.6352 k = 0.1944 0.2526-0.1732 ( 11840 PWs) bands (ev): -4.9287 -4.9287 -4.6418 -4.6418 -4.5005 -4.5005 -4.0416 -4.0416 -3.5006 -3.5006 -2.7490 -2.7490 -2.4031 -2.4031 -2.2595 -2.2595 1.5022 1.5022 1.7662 1.7662 1.9396 1.9396 2.1555 2.1555 2.3237 2.3237 2.4197 2.4197 2.6188 2.6188 2.7147 2.7147 2.7890 2.7890 2.9004 2.9004 3.0172 3.0172 3.1087 3.1087 3.1705 3.1705 3.2951 3.2951 3.4072 3.4072 3.4882 3.4882 3.5642 3.5642 3.6270 3.6270 3.6727 3.6727 3.7855 3.7855 3.8356 3.8356 3.9621 3.9621 4.0324 4.0324 4.2548 4.2548 4.5099 4.5099 4.5936 4.5936 4.8203 4.8203 4.9065 4.9065 4.9895 4.9895 5.2287 5.2287 5.3907 5.3907 5.6991 5.6991 6.5162 6.5162 7.0567 7.0567 7.1320 7.1320 7.3468 7.3468 7.5979 7.5979 7.8876 7.8876 8.7638 8.7638 8.8127 8.8127 8.9878 8.9878 9.1993 9.1993 9.4647 9.4647 9.7465 9.7465 11.0354 11.0354 11.1312 11.1312 11.6360 11.6360 k = 0.1806 0.2526-0.1732 ( 11830 PWs) bands (ev): -4.9493 -4.9493 -4.6615 -4.6615 -4.5134 -4.5134 -4.0519 -4.0519 -3.5157 -3.5157 -2.7408 -2.7408 -2.3870 -2.3870 -2.2371 -2.2371 1.5020 1.5020 1.7699 1.7699 1.9353 1.9353 2.1531 2.1531 2.3327 2.3327 2.4137 2.4137 2.6294 2.6294 2.7164 2.7164 2.8009 2.8009 2.9020 2.9020 3.0147 3.0147 3.1171 3.1171 3.1730 3.1730 3.2946 3.2946 3.4018 3.4018 3.4937 3.4937 3.5635 3.5635 3.6218 3.6218 3.6698 3.6698 3.7903 3.7903 3.8368 3.8368 3.9686 3.9686 4.0226 4.0226 4.2541 4.2541 4.5344 4.5344 4.6445 4.6445 4.8389 4.8389 4.9258 4.9258 5.0222 5.0222 5.2757 5.2757 5.4079 5.4079 5.7237 5.7237 6.5599 6.5599 7.1043 7.1043 7.1688 7.1688 7.3785 7.3785 7.5873 7.5873 7.8429 7.8429 8.7410 8.7410 8.8022 8.8022 8.9829 8.9829 9.2130 9.2130 9.4454 9.4454 9.7138 9.7138 11.0257 11.0257 11.1276 11.1276 11.6457 11.6457 k = 0.1667 0.2526-0.1732 ( 11830 PWs) bands (ev): -4.9687 -4.9687 -4.6800 -4.6800 -4.5256 -4.5256 -4.0618 -4.0618 -3.5300 -3.5300 -2.7332 -2.7332 -2.3720 -2.3720 -2.2159 -2.2159 1.5013 1.5013 1.7730 1.7730 1.9306 1.9306 2.1508 2.1508 2.3407 2.3407 2.4076 2.4076 2.6386 2.6386 2.7173 2.7173 2.8121 2.8121 2.9043 2.9043 3.0119 3.0119 3.1245 3.1245 3.1742 3.1742 3.2926 3.2926 3.3967 3.3967 3.4942 3.4942 3.5651 3.5651 3.6181 3.6181 3.6684 3.6684 3.7936 3.7936 3.8412 3.8412 3.9768 3.9768 4.0162 4.0162 4.2530 4.2530 4.5580 4.5580 4.6928 4.6928 4.8574 4.8574 4.9532 4.9532 5.0626 5.0626 5.3281 5.3281 5.4293 5.4293 5.7468 5.7468 6.5992 6.5992 7.1356 7.1356 7.1927 7.1927 7.3932 7.3932 7.5698 7.5698 7.7916 7.7916 8.7206 8.7206 8.7965 8.7965 8.9835 8.9835 9.2102 9.2102 9.4586 9.4586 9.6908 9.6908 11.0209 11.0209 11.1301 11.1301 11.6650 11.6650 k = 0.1528 0.2526-0.1732 ( 11824 PWs) bands (ev): -4.9867 -4.9867 -4.6972 -4.6972 -4.5372 -4.5372 -4.0713 -4.0713 -3.5434 -3.5434 -2.7261 -2.7261 -2.3580 -2.3580 -2.1962 -2.1962 1.5003 1.5003 1.7755 1.7755 1.9257 1.9257 2.1487 2.1487 2.3476 2.3476 2.4016 2.4016 2.6463 2.6463 2.7175 2.7175 2.8223 2.8223 2.9076 2.9076 3.0090 3.0090 3.1304 3.1304 3.1744 3.1744 3.2890 3.2890 3.3925 3.3925 3.4896 3.4896 3.5678 3.5678 3.6178 3.6178 3.6682 3.6682 3.7954 3.7954 3.8472 3.8472 3.9859 3.9859 4.0145 4.0145 4.2517 4.2517 4.5797 4.5797 4.7343 4.7343 4.8797 4.8797 4.9887 4.9887 5.1097 5.1097 5.3843 5.3843 5.4562 5.4562 5.7688 5.7688 6.6338 6.6338 7.1472 7.1472 7.2033 7.2033 7.3874 7.3874 7.5458 7.5458 7.7422 7.7422 8.7013 8.7013 8.7950 8.7950 8.9915 8.9915 9.1990 9.1990 9.4946 9.4946 9.6776 9.6776 11.0219 11.0219 11.1381 11.1381 11.6939 11.6939 k = 0.1389 0.2526-0.1732 ( 11828 PWs) bands (ev): -5.0034 -5.0034 -4.7131 -4.7131 -4.5480 -4.5480 -4.0802 -4.0802 -3.5558 -3.5558 -2.7197 -2.7197 -2.3452 -2.3452 -2.1779 -2.1779 1.4989 1.4989 1.7775 1.7775 1.9209 1.9209 2.1467 2.1467 2.3533 2.3533 2.3963 2.3963 2.6528 2.6528 2.7170 2.7170 2.8311 2.8311 2.9120 2.9120 3.0064 3.0064 3.1343 3.1343 3.1741 3.1741 3.2839 3.2839 3.3895 3.3895 3.4816 3.4816 3.5692 3.5692 3.6213 3.6213 3.6689 3.6689 3.7964 3.7964 3.8530 3.8530 3.9946 3.9946 4.0187 4.0187 4.2504 4.2504 4.5988 4.5988 4.7656 4.7656 4.9090 4.9090 5.0318 5.0318 5.1630 5.1630 5.4414 5.4414 5.4911 5.4911 5.7907 5.7907 6.6626 6.6626 7.1395 7.1395 7.1985 7.1985 7.3607 7.3607 7.5129 7.5129 7.7022 7.7022 8.6832 8.6832 8.7976 8.7976 9.0083 9.0083 9.1888 9.1888 9.5413 9.5413 9.6733 9.6733 11.0290 11.0290 11.1508 11.1508 11.7316 11.7316 k = 0.1250 0.2526-0.1732 ( 11834 PWs) bands (ev): -5.0187 -5.0187 -4.7277 -4.7277 -4.5579 -4.5579 -4.0886 -4.0886 -3.5672 -3.5672 -2.7139 -2.7139 -2.3336 -2.3336 -2.1611 -2.1611 1.4974 1.4974 1.7789 1.7789 1.9163 1.9163 2.1449 2.1449 2.3574 2.3574 2.3921 2.3921 2.6581 2.6581 2.7160 2.7160 2.8384 2.8384 2.9175 2.9175 3.0042 3.0042 3.1357 3.1357 3.1739 3.1739 3.2775 3.2775 3.3876 3.3876 3.4720 3.4720 3.5687 3.5687 3.6271 3.6271 3.6705 3.6705 3.7970 3.7970 3.8576 3.8576 4.0027 4.0027 4.0282 4.0282 4.2491 4.2491 4.6150 4.6150 4.7875 4.7875 4.9429 4.9429 5.0822 5.0822 5.2220 5.2220 5.4952 5.4952 5.5367 5.5367 5.8133 5.8133 6.6845 6.6845 7.1158 7.1158 7.1763 7.1763 7.3169 7.3169 7.4715 7.4715 7.6717 7.6717 8.6682 8.6682 8.8044 8.8044 9.0336 9.0336 9.1831 9.1831 9.5914 9.5914 9.6761 9.6761 11.0417 11.0417 11.1682 11.1682 11.7745 11.7745 k = 0.1111 0.2526-0.1732 ( 11836 PWs) bands (ev): -5.0324 -5.0324 -4.7408 -4.7408 -4.5670 -4.5670 -4.0962 -4.0962 -3.5776 -3.5776 -2.7087 -2.7087 -2.3232 -2.3232 -2.1459 -2.1459 1.4957 1.4957 1.7798 1.7798 1.9121 1.9121 2.1433 2.1433 2.3598 2.3598 2.3895 2.3895 2.6625 2.6625 2.7144 2.7144 2.8443 2.8443 2.9236 2.9236 3.0023 3.0023 3.1347 3.1347 3.1744 3.1744 3.2700 3.2700 3.3869 3.3869 3.4618 3.4618 3.5673 3.5673 3.6330 3.6330 3.6731 3.6731 3.7975 3.7975 3.8607 3.8607 4.0118 4.0118 4.0403 4.0403 4.2480 4.2480 4.6282 4.6282 4.8034 4.8034 4.9764 4.9764 5.1397 5.1397 5.2859 5.2859 5.5456 5.5456 5.5911 5.5911 5.8382 5.8382 6.6970 6.6970 7.0791 7.0791 7.1395 7.1395 7.2624 7.2624 7.4248 7.4248 7.6436 7.6436 8.6586 8.6586 8.8151 8.8151 9.0661 9.0661 9.1824 9.1824 9.6399 9.6399 9.6851 9.6851 11.0579 11.0579 11.1909 11.1909 11.8138 11.8138 k = 0.0972 0.2526-0.1732 ( 11834 PWs) bands (ev): -5.0447 -5.0447 -4.7524 -4.7524 -4.5751 -4.5751 -4.1031 -4.1031 -3.5868 -3.5868 -2.7041 -2.7041 -2.3139 -2.3139 -2.1324 -2.1324 1.4940 1.4940 1.7803 1.7803 1.9082 1.9082 2.1419 2.1419 2.3603 2.3603 2.3888 2.3888 2.6662 2.6662 2.7124 2.7124 2.8491 2.8491 2.9299 2.9299 3.0011 3.0011 3.1316 3.1316 3.1756 3.1756 3.2619 3.2619 3.3870 3.3870 3.4518 3.4518 3.5657 3.5657 3.6378 3.6378 3.6765 3.6765 3.7979 3.7979 3.8624 3.8624 4.0224 4.0224 4.0528 4.0528 4.2471 4.2471 4.6388 4.6388 4.8162 4.8162 5.0058 5.0058 5.2031 5.2031 5.3537 5.3537 5.5958 5.5958 5.6471 5.6471 5.8671 5.8671 6.6970 6.6970 7.0294 7.0294 7.0962 7.0962 7.2062 7.2062 7.3740 7.3740 7.6119 7.6119 8.6556 8.6556 8.8290 8.8290 9.1033 9.1033 9.1862 9.1862 9.6760 9.6760 9.7065 9.7065 11.0746 11.0746 11.2200 11.2200 11.8313 11.8313 k = 0.0833 0.2526-0.1732 ( 11838 PWs) bands (ev): -5.0554 -5.0554 -4.7626 -4.7626 -4.5822 -4.5822 -4.1092 -4.1092 -3.5949 -3.5949 -2.7001 -2.7001 -2.3059 -2.3059 -2.1206 -2.1206 1.4923 1.4923 1.7804 1.7804 1.9048 1.9048 2.1407 2.1407 2.3594 2.3594 2.3895 2.3895 2.6693 2.6693 2.7101 2.7101 2.8530 2.8530 2.9358 2.9358 3.0004 3.0004 3.1273 3.1273 3.1773 3.1773 3.2535 3.2535 3.3878 3.3878 3.4423 3.4423 3.5642 3.5642 3.6412 3.6412 3.6801 3.6801 3.7983 3.7983 3.8631 3.8631 4.0341 4.0341 4.0644 4.0644 4.2466 4.2466 4.6470 4.6470 4.8272 4.8272 5.0298 5.0298 5.2708 5.2708 5.4242 5.4242 5.6458 5.6458 5.6989 5.6989 5.9024 5.9024 6.6810 6.6810 6.9652 6.9652 7.0586 7.0586 7.1558 7.1558 7.3196 7.3196 7.5741 7.5741 8.6585 8.6585 8.8457 8.8457 9.1408 9.1408 9.1949 9.1949 9.6914 9.6914 9.7454 9.7454 11.0880 11.0880 11.2572 11.2572 11.8196 11.8196 k = 0.0694 0.2526-0.1732 ( 11832 PWs) bands (ev): -5.0645 -5.0645 -4.7713 -4.7713 -4.5883 -4.5883 -4.1144 -4.1144 -3.6018 -3.6018 -2.6967 -2.6967 -2.2992 -2.2992 -2.1106 -2.1106 1.4907 1.4907 1.7803 1.7803 1.9020 1.9020 2.1397 2.1397 2.3578 2.3578 2.3909 2.3909 2.6720 2.6720 2.7077 2.7077 2.8563 2.8563 2.9410 2.9410 3.0004 3.0004 3.1225 3.1225 3.1790 3.1790 3.2454 3.2454 3.3890 3.3890 3.4338 3.4338 3.5630 3.5630 3.6435 3.6435 3.6835 3.6835 3.7986 3.7986 3.8633 3.8633 4.0462 4.0462 4.0743 4.0743 4.2463 4.2463 4.6533 4.6533 4.8369 4.8369 5.0486 5.0486 5.3404 5.3404 5.4956 5.4956 5.6923 5.6923 5.7430 5.7430 5.9465 5.9465 6.6474 6.6474 6.8903 6.8903 7.0328 7.0328 7.1145 7.1145 7.2636 7.2636 7.5304 7.5304 8.6656 8.6656 8.8643 8.8643 9.1691 9.1691 9.2138 9.2138 9.7001 9.7001 9.7851 9.7851 11.0957 11.0957 11.3026 11.3026 11.7930 11.7930 k = 0.0556 0.2526-0.1732 ( 11844 PWs) bands (ev): -5.0720 -5.0720 -4.7784 -4.7784 -4.5933 -4.5933 -4.1187 -4.1187 -3.6075 -3.6075 -2.6940 -2.6940 -2.2936 -2.2936 -2.1023 -2.1023 1.4893 1.4893 1.7801 1.7801 1.8996 1.8996 2.1389 2.1389 2.3561 2.3561 2.3924 2.3924 2.6742 2.6742 2.7054 2.7054 2.8590 2.8590 2.9450 2.9450 3.0010 3.0010 3.1178 3.1178 3.1806 3.1806 3.2380 3.2380 3.3904 3.3904 3.4264 3.4264 3.5621 3.5621 3.6450 3.6450 3.6864 3.6864 3.7989 3.7989 3.8631 3.8631 4.0579 4.0579 4.0822 4.0822 4.2464 4.2464 4.6581 4.6581 4.8453 4.8453 5.0626 5.0626 5.4094 5.4094 5.5656 5.5656 5.7297 5.7297 5.7783 5.7783 6.0001 6.0001 6.5990 6.5990 6.8118 6.8118 7.0183 7.0183 7.0829 7.0829 7.2102 7.2102 7.4831 7.4831 8.6748 8.6748 8.8836 8.8836 9.1821 9.1821 9.2455 9.2455 9.7060 9.7060 9.8204 9.8204 11.0975 11.0975 11.3548 11.3548 11.7615 11.7615 k = 0.0417 0.2526-0.1732 ( 11846 PWs) bands (ev): -5.0778 -5.0778 -4.7839 -4.7839 -4.5972 -4.5972 -4.1221 -4.1221 -3.6120 -3.6120 -2.6919 -2.6919 -2.2893 -2.2893 -2.0958 -2.0958 1.4882 1.4882 1.7798 1.7798 1.8978 1.8978 2.1382 2.1382 2.3546 2.3546 2.3939 2.3939 2.6760 2.6760 2.7033 2.7033 2.8611 2.8611 2.9479 2.9479 3.0021 3.0021 3.1137 3.1137 3.1820 3.1820 3.2317 3.2317 3.3919 3.3919 3.4202 3.4202 3.5614 3.5614 3.6460 3.6460 3.6886 3.6886 3.7991 3.7991 3.8628 3.8628 4.0683 4.0683 4.0877 4.0877 4.2466 4.2466 4.6615 4.6615 4.8522 4.8522 5.0728 5.0728 5.4747 5.4747 5.6307 5.6307 5.7528 5.7528 5.8066 5.8066 6.0605 6.0605 6.5427 6.5427 6.7358 6.7358 7.0118 7.0118 7.0599 7.0599 7.1651 7.1651 7.4359 7.4359 8.6839 8.6839 8.9018 8.9018 9.1874 9.1874 9.2785 9.2785 9.7095 9.7095 9.8495 9.8495 11.0950 11.0950 11.4108 11.4108 11.7279 11.7279 k = 0.0278 0.2526-0.1732 ( 11842 PWs) bands (ev): -5.0820 -5.0820 -4.7879 -4.7879 -4.6000 -4.6000 -4.1246 -4.1246 -3.6152 -3.6152 -2.6903 -2.6903 -2.2862 -2.2862 -2.0912 -2.0912 1.4874 1.4874 1.7795 1.7795 1.8966 1.8966 2.1377 2.1377 2.3534 2.3534 2.3950 2.3950 2.6773 2.6773 2.7016 2.7016 2.8627 2.8627 2.9497 2.9497 3.0034 3.0034 3.1105 3.1105 3.1831 3.1831 3.2268 3.2268 3.3933 3.3933 3.4155 3.4155 3.5610 3.5610 3.6467 3.6467 3.6901 3.6901 3.7992 3.7992 3.8626 3.8626 4.0771 4.0771 4.0907 4.0907 4.2469 4.2469 4.6638 4.6638 4.8573 4.8573 5.0795 5.0795 5.5318 5.5318 5.6856 5.6856 5.7603 5.7603 5.8289 5.8289 6.1217 6.1217 6.4874 6.4874 6.6685 6.6685 7.0103 7.0103 7.0423 7.0423 7.1342 7.1342 7.3940 7.3940 8.6914 8.6914 8.9170 8.9170 9.1895 9.1895 9.3057 9.3057 9.7112 9.7112 9.8713 9.8713 11.0907 11.0907 11.4667 11.4667 11.6928 11.6928 k = 0.0139 0.2526-0.1732 ( 11846 PWs) bands (ev): -5.0845 -5.0845 -4.7903 -4.7903 -4.6017 -4.6017 -4.1261 -4.1261 -3.6171 -3.6171 -2.6894 -2.6894 -2.2844 -2.2844 -2.0884 -2.0884 1.4869 1.4869 1.7794 1.7794 1.8958 1.8958 2.1374 2.1374 2.3527 2.3527 2.3956 2.3956 2.6782 2.6782 2.7005 2.7005 2.8637 2.8637 2.9507 2.9507 3.0043 3.0043 3.1084 3.1084 3.1838 3.1838 3.2238 3.2238 3.3944 3.3944 3.4123 3.4123 3.5608 3.5608 3.6470 3.6470 3.6910 3.6910 3.7993 3.7993 3.8624 3.8624 4.0836 4.0836 4.0914 4.0914 4.2472 4.2472 4.6652 4.6652 4.8604 4.8604 5.0834 5.0834 5.5740 5.5740 5.7233 5.7233 5.7574 5.7574 5.8436 5.8436 6.1725 6.1725 6.4437 6.4437 6.6190 6.6190 7.0120 7.0120 7.0279 7.0279 7.1194 7.1194 7.3640 7.3640 8.6962 8.6962 8.9272 8.9272 9.1902 9.1902 9.3235 9.3235 9.7118 9.7118 9.8847 9.8847 11.0870 11.0870 11.5161 11.5161 11.6581 11.6581 k = 0.0000 0.2526-0.1732 ( 11854 PWs) bands (ev): -5.0854 -5.0854 -4.7911 -4.7911 -4.6023 -4.6023 -4.1266 -4.1266 -3.6177 -3.6177 -2.6891 -2.6891 -2.2838 -2.2838 -2.0875 -2.0875 1.4867 1.4867 1.7793 1.7793 1.8956 1.8956 2.1373 2.1373 2.3525 2.3525 2.3959 2.3959 2.6785 2.6785 2.7001 2.7001 2.8641 2.8641 2.9510 2.9510 3.0047 3.0047 3.1077 3.1077 3.1841 3.1841 3.2227 3.2227 3.3949 3.3949 3.4112 3.4112 3.5607 3.5607 3.6472 3.6472 3.6913 3.6913 3.7993 3.7993 3.8623 3.8623 4.0866 4.0866 4.0908 4.0908 4.2473 4.2473 4.6656 4.6656 4.8615 4.8615 5.0847 5.0847 5.5904 5.5904 5.7368 5.7368 5.7542 5.7542 5.8488 5.8488 6.1939 6.1939 6.4258 6.4258 6.6001 6.6001 7.0157 7.0157 7.0195 7.0195 7.1158 7.1158 7.3530 7.3530 8.6979 8.6979 8.9307 8.9307 9.1903 9.1903 9.3296 9.3296 9.7119 9.7119 9.8893 9.8893 11.0855 11.0855 11.5407 11.5407 11.6389 11.6389 k = 0.0000 0.2526-0.1732 ( 11854 PWs) bands (ev): -5.0854 -5.0854 -4.7911 -4.7911 -4.6023 -4.6023 -4.1266 -4.1266 -3.6177 -3.6177 -2.6891 -2.6891 -2.2838 -2.2838 -2.0875 -2.0875 1.4867 1.4867 1.7793 1.7793 1.8956 1.8956 2.1373 2.1373 2.3525 2.3525 2.3959 2.3959 2.6785 2.6785 2.7001 2.7001 2.8641 2.8641 2.9510 2.9510 3.0047 3.0047 3.1077 3.1077 3.1841 3.1841 3.2227 3.2227 3.3949 3.3949 3.4112 3.4112 3.5607 3.5607 3.6472 3.6472 3.6913 3.6913 3.7993 3.7993 3.8623 3.8623 4.0866 4.0866 4.0908 4.0908 4.2473 4.2473 4.6656 4.6656 4.8615 4.8615 5.0847 5.0847 5.5904 5.5904 5.7368 5.7368 5.7542 5.7542 5.8488 5.8488 6.1939 6.1939 6.4258 6.4258 6.6001 6.6001 7.0157 7.0157 7.0195 7.0195 7.1158 7.1158 7.3530 7.3530 8.6979 8.6979 8.9307 8.9307 9.1903 9.1903 9.3296 9.3296 9.7119 9.7119 9.8893 9.8893 11.0855 11.0855 11.5407 11.5407 11.6389 11.6389 k = 0.0000 0.2606-0.1616 ( 11852 PWs) bands (ev): -5.0843 -5.0843 -4.7903 -4.7903 -4.6070 -4.6070 -4.1268 -4.1268 -3.6116 -3.6116 -2.6885 -2.6885 -2.2853 -2.2853 -2.0905 -2.0905 1.4876 1.4876 1.7798 1.7798 1.8951 1.8951 2.1355 2.1355 2.3513 2.3513 2.3934 2.3934 2.6558 2.6558 2.7219 2.7219 2.8622 2.8622 2.9553 2.9553 3.0057 3.0057 3.1097 3.1097 3.1838 3.1838 3.2235 3.2235 3.3943 3.3943 3.4140 3.4140 3.5607 3.5607 3.6474 3.6474 3.6911 3.6911 3.7999 3.7999 3.8618 3.8618 4.0855 4.0855 4.0931 4.0931 4.2473 4.2473 4.6671 4.6671 4.8599 4.8599 5.0866 5.0866 5.5863 5.5863 5.7293 5.7293 5.7418 5.7418 5.8713 5.8713 6.1873 6.1873 6.4292 6.4292 6.6013 6.6013 7.0055 7.0055 7.0273 7.0273 7.1222 7.1222 7.3539 7.3539 8.6961 8.6961 8.9282 8.9282 9.1905 9.1905 9.3273 9.3273 9.7013 9.7013 9.8976 9.8976 11.0879 11.0879 11.5217 11.5217 11.6351 11.6351 k = 0.0000 0.2686-0.1499 ( 11858 PWs) bands (ev): -5.0809 -5.0809 -4.7879 -4.7879 -4.6208 -4.6208 -4.1278 -4.1278 -3.5934 -3.5934 -2.6867 -2.6867 -2.2898 -2.2898 -2.0996 -2.0996 1.4902 1.4902 1.7810 1.7810 1.8937 1.8937 2.1297 2.1297 2.3475 2.3475 2.3868 2.3868 2.6255 2.6255 2.7497 2.7497 2.8580 2.8580 2.9657 2.9657 3.0094 3.0094 3.1153 3.1153 3.1831 3.1831 3.2267 3.2267 3.3943 3.3943 3.4209 3.4209 3.5609 3.5609 3.6480 3.6480 3.6908 3.6908 3.8018 3.8018 3.8602 3.8602 4.0844 4.0844 4.0980 4.0980 4.2472 4.2472 4.6716 4.6716 4.8553 4.8553 5.0922 5.0922 5.5741 5.5741 5.6920 5.6920 5.7443 5.7443 5.9128 5.9128 6.1700 6.1700 6.4380 6.4380 6.6046 6.6046 6.9936 6.9936 7.0340 7.0340 7.1394 7.1394 7.3565 7.3565 8.6906 8.6906 8.9208 8.9208 9.1911 9.1911 9.3205 9.3205 9.6751 9.6751 9.9169 9.9169 11.0945 11.0945 11.4734 11.4734 11.6216 11.6216 k = 0.0000 0.2767-0.1382 ( 11852 PWs) bands (ev): -5.0754 -5.0754 -4.7839 -4.7839 -4.6426 -4.6426 -4.1295 -4.1295 -3.5642 -3.5642 -2.6836 -2.6836 -2.2973 -2.2973 -2.1147 -2.1147 1.4946 1.4946 1.7825 1.7825 1.8919 1.8919 2.1198 2.1198 2.3411 2.3411 2.3777 2.3777 2.5964 2.5964 2.7747 2.7747 2.8532 2.8532 2.9773 2.9773 3.0167 3.0167 3.1230 3.1230 3.1818 3.1818 3.2342 3.2342 3.3965 3.3965 3.4301 3.4301 3.5613 3.5613 3.6491 3.6491 3.6904 3.6904 3.8050 3.8050 3.8578 3.8578 4.0840 4.0840 4.1046 4.1046 4.2471 4.2471 4.6790 4.6790 4.8479 4.8479 5.1014 5.1014 5.5545 5.5545 5.6533 5.6533 5.7500 5.7500 5.9529 5.9529 6.1482 6.1482 6.4493 6.4493 6.6099 6.6099 6.9843 6.9843 7.0395 7.0395 7.1633 7.1633 7.3608 7.3608 8.6811 8.6811 8.9089 8.9089 9.1923 9.1923 9.3095 9.3095 9.6421 9.6421 9.9383 9.9383 11.1034 11.1034 11.4103 11.4103 11.5969 11.5969 k = 0.0000 0.2847-0.1265 ( 11842 PWs) bands (ev): -5.0677 -5.0677 -4.7783 -4.7783 -4.6709 -4.6709 -4.1322 -4.1322 -3.5252 -3.5252 -2.6795 -2.6795 -2.3078 -2.3078 -2.1355 -2.1355 1.5005 1.5005 1.7832 1.7832 1.8906 1.8906 2.1055 2.1055 2.3321 2.3321 2.3680 2.3680 2.5700 2.5700 2.7949 2.7949 2.8486 2.8486 2.9878 2.9878 3.0273 3.0273 3.1299 3.1299 3.1801 3.1801 3.2485 3.2485 3.4014 3.4014 3.4406 3.4406 3.5620 3.5620 3.6508 3.6508 3.6902 3.6902 3.8093 3.8093 3.8546 3.8546 4.0845 4.0845 4.1129 4.1129 4.2474 4.2474 4.6890 4.6890 4.8379 4.8379 5.1138 5.1138 5.5289 5.5289 5.6185 5.6185 5.7565 5.7565 5.9794 5.9794 6.1327 6.1327 6.4607 6.4607 6.6164 6.6164 6.9792 6.9792 7.0450 7.0450 7.1904 7.1904 7.3664 7.3664 8.6673 8.6673 8.8934 8.8934 9.1945 9.1945 9.2949 9.2949 9.6079 9.6079 9.9558 9.9558 11.1092 11.1092 11.3461 11.3461 11.5620 11.5620 k = 0.0000 0.2927-0.1148 ( 11842 PWs) bands (ev): -5.0578 -5.0578 -4.7713 -4.7713 -4.7041 -4.7041 -4.1361 -4.1361 -3.4777 -3.4777 -2.6743 -2.6743 -2.3211 -2.3211 -2.1617 -2.1617 1.5079 1.5079 1.7817 1.7817 1.8909 1.8909 2.0866 2.0866 2.3214 2.3214 2.3590 2.3590 2.5473 2.5473 2.8088 2.8088 2.8446 2.8446 2.9975 2.9975 3.0393 3.0393 3.1335 3.1335 3.1780 3.1780 3.2708 3.2708 3.4091 3.4091 3.4519 3.4519 3.5633 3.5633 3.6530 3.6530 3.6906 3.6906 3.8148 3.8148 3.8511 3.8511 4.0858 4.0858 4.1229 4.1229 4.2482 4.2482 4.7014 4.7014 4.8262 4.8262 5.1290 5.1290 5.4995 5.4995 5.5874 5.5874 5.7630 5.7630 5.9799 5.9799 6.1369 6.1369 6.4708 6.4708 6.6238 6.6238 6.9795 6.9795 7.0517 7.0517 7.2183 7.2183 7.3730 7.3730 8.6488 8.6488 8.8753 8.8753 9.1979 9.1979 9.2774 9.2774 9.5758 9.5758 9.9664 9.9664 11.0984 11.0984 11.2978 11.2978 11.5192 11.5192 k = 0.0000 0.3007-0.1031 ( 11839 PWs) bands (ev): -5.0458 -5.0458 -4.7629 -4.7629 -4.7407 -4.7407 -4.1411 -4.1411 -3.4232 -3.4232 -2.6681 -2.6681 -2.3373 -2.3373 -2.1932 -2.1932 1.5166 1.5166 1.7769 1.7769 1.8940 1.8940 2.0634 2.0634 2.3099 2.3099 2.3510 2.3510 2.5288 2.5288 2.8137 2.8137 2.8432 2.8432 3.0063 3.0063 3.0516 3.0516 3.1338 3.1338 3.1760 3.1760 3.2989 3.2989 3.4190 3.4190 3.4639 3.4639 3.5653 3.5653 3.6557 3.6557 3.6923 3.6923 3.8211 3.8211 3.8485 3.8485 4.0878 4.0878 4.1346 4.1346 4.2502 4.2502 4.7154 4.7154 4.8140 4.8140 5.1461 5.1461 5.4692 5.4692 5.5584 5.5584 5.7690 5.7690 5.9574 5.9574 6.1588 6.1588 6.4793 6.4793 6.6314 6.6314 6.9852 6.9852 7.0601 7.0601 7.2453 7.2453 7.3801 7.3801 8.6258 8.6258 8.8558 8.8558 9.2023 9.2023 9.2586 9.2586 9.5475 9.5475 9.9683 9.9683 11.0557 11.0557 11.2796 11.2796 11.4735 11.4735 k = 0.0000 0.3087-0.0914 ( 11837 PWs) bands (ev): -5.0316 -5.0316 -4.7807 -4.7807 -4.7520 -4.7520 -4.1472 -4.1472 -3.3628 -3.3628 -2.6610 -2.6610 -2.3562 -2.3562 -2.2295 -2.2295 1.5264 1.5264 1.7677 1.7677 1.9002 1.9002 2.0369 2.0369 2.2985 2.2985 2.3445 2.3445 2.5148 2.5148 2.8078 2.8078 2.8462 2.8462 3.0128 3.0128 3.0638 3.0638 3.1320 3.1320 3.1751 3.1751 3.3288 3.3288 3.4301 3.4301 3.4766 3.4766 3.5682 3.5682 3.6587 3.6587 3.6956 3.6956 3.8265 3.8265 3.8495 3.8495 4.0906 4.0906 4.1477 4.1477 4.2541 4.2541 4.7288 4.7288 4.8040 4.8040 5.1641 5.1641 5.4398 5.4398 5.5296 5.5296 5.7740 5.7740 5.9257 5.9257 6.1863 6.1863 6.4860 6.4860 6.6386 6.6386 6.9959 6.9959 7.0710 7.0710 7.2702 7.2702 7.3871 7.3871 8.5986 8.5986 8.8360 8.8360 9.2045 9.2045 9.2425 9.2425 9.5238 9.5238 9.9608 9.9608 10.9882 10.9882 11.2746 11.2746 11.4375 11.4375 k = 0.0000 0.3167-0.0797 ( 11837 PWs) bands (ev): -5.0153 -5.0153 -4.8211 -4.8211 -4.7406 -4.7406 -4.1543 -4.1543 -3.2977 -3.2977 -2.6531 -2.6531 -2.3777 -2.3777 -2.2701 -2.2701 1.5371 1.5371 1.7544 1.7544 1.9089 1.9089 2.0084 2.0084 2.2877 2.2877 2.3396 2.3396 2.5051 2.5051 2.7938 2.7938 2.8515 2.8515 3.0158 3.0158 3.0748 3.0748 3.1299 3.1299 3.1765 3.1765 3.3568 3.3568 3.4413 3.4413 3.4899 3.4899 3.5718 3.5718 3.6615 3.6615 3.7006 3.7006 3.8278 3.8278 3.8592 3.8592 4.0941 4.0941 4.1619 4.1619 4.2609 4.2609 4.7369 4.7369 4.8015 4.8015 5.1813 5.1813 5.4126 5.4126 5.4998 5.4998 5.7776 5.7776 5.8942 5.8942 6.2128 6.2128 6.4912 6.4912 6.6449 6.6449 7.0104 7.0104 7.0848 7.0848 7.2921 7.2921 7.3930 7.3930 8.5687 8.5687 8.8165 8.8165 9.1956 9.1956 9.2396 9.2396 9.5049 9.5049 9.9440 9.9440 10.9107 10.9107 11.2466 11.2466 11.4341 11.4341 k = 0.5000 0.1885 0.2668 ( 11850 PWs) bands (ev): -4.4373 -4.4373 -4.3733 -4.3733 -4.1599 -4.1599 -3.9209 -3.9209 -3.0889 -3.0889 -2.9193 -2.9193 -2.8791 -2.8791 -2.6862 -2.6862 1.4544 1.4544 1.6137 1.6137 1.8134 1.8134 2.0084 2.0084 2.2094 2.2094 2.3149 2.3149 2.4473 2.4473 2.5370 2.5370 2.6175 2.6175 2.7299 2.7299 2.9538 2.9538 3.0352 3.0352 3.1166 3.1166 3.2691 3.2691 3.4301 3.4301 3.5334 3.5334 3.5727 3.5727 3.7486 3.7486 3.8133 3.8133 3.9065 3.9065 3.9438 3.9438 4.0342 4.0342 4.2533 4.2533 4.3277 4.3277 4.4183 4.4183 4.5421 4.5421 4.7296 4.7296 4.7511 4.7511 4.9225 4.9225 5.0304 5.0304 5.1734 5.1734 5.4918 5.4918 5.5830 5.5830 5.7975 5.7975 6.0488 6.0488 6.3504 6.3504 7.1194 7.1194 7.5612 7.5612 8.8541 8.8541 9.0785 9.0785 9.1715 9.1715 9.4025 9.4025 10.0810 10.0810 10.1769 10.1769 11.1937 11.1937 11.6994 11.6994 11.7656 11.7656 k = 0.5000 0.1750 0.2668 ( 11850 PWs) bands (ev): -4.4300 -4.4300 -4.3797 -4.3797 -4.1602 -4.1602 -3.9221 -3.9221 -3.0805 -3.0805 -2.9177 -2.9177 -2.8806 -2.8806 -2.6983 -2.6983 1.4628 1.4628 1.6182 1.6182 1.8238 1.8238 2.0226 2.0226 2.2132 2.2132 2.3243 2.3243 2.4471 2.4471 2.5385 2.5385 2.6179 2.6179 2.7439 2.7439 2.9422 2.9422 3.0293 3.0293 3.1274 3.1274 3.2716 3.2716 3.4245 3.4245 3.5294 3.5294 3.5681 3.5681 3.7405 3.7405 3.8092 3.8092 3.9035 3.9035 3.9400 3.9400 4.0378 4.0378 4.2227 4.2227 4.3145 4.3145 4.3934 4.3934 4.4949 4.4949 4.7166 4.7166 4.7259 4.7259 4.8969 4.8969 5.0066 5.0066 5.1706 5.1706 5.5182 5.5182 5.5982 5.5982 5.8515 5.8515 6.0418 6.0418 6.4388 6.4388 7.2065 7.2065 7.6501 7.6501 8.7763 8.7763 9.0488 9.0488 9.1708 9.1708 9.3376 9.3376 10.0719 10.0719 10.1547 10.1547 11.1918 11.1918 11.6579 11.6579 11.7773 11.7773 k = 0.5000 0.1615 0.2668 ( 11856 PWs) bands (ev): -4.4243 -4.4243 -4.3857 -4.3857 -4.1583 -4.1583 -3.9242 -3.9242 -3.0716 -3.0716 -2.9159 -2.9159 -2.8825 -2.8825 -2.7106 -2.7106 1.4720 1.4720 1.6227 1.6227 1.8349 1.8349 2.0361 2.0361 2.2162 2.2162 2.3332 2.3332 2.4474 2.4474 2.5382 2.5382 2.6201 2.6201 2.7601 2.7601 2.9310 2.9310 3.0241 3.0241 3.1367 3.1367 3.2764 3.2764 3.4181 3.4181 3.5234 3.5234 3.5641 3.5641 3.7307 3.7307 3.8039 3.8039 3.8986 3.8986 3.9373 3.9373 4.0409 4.0409 4.1912 4.1912 4.3001 4.3001 4.3721 4.3721 4.4486 4.4486 4.6828 4.6828 4.7152 4.7152 4.8581 4.8581 4.9757 4.9757 5.1821 5.1821 5.5422 5.5422 5.6282 5.6282 5.9008 5.9008 6.0643 6.0643 6.5352 6.5352 7.2880 7.2880 7.7303 7.7303 8.7023 8.7023 9.0140 9.0140 9.1620 9.1620 9.2701 9.2701 10.0545 10.0545 10.1285 10.1285 11.1801 11.1801 11.6310 11.6310 11.7713 11.7713 k = 0.5000 0.1481 0.2668 ( 11852 PWs) bands (ev): -4.4201 -4.4201 -4.3914 -4.3914 -4.1540 -4.1540 -3.9274 -3.9274 -3.0622 -3.0622 -2.9137 -2.9137 -2.8848 -2.8848 -2.7232 -2.7232 1.4820 1.4820 1.6268 1.6268 1.8468 1.8468 2.0485 2.0485 2.2186 2.2186 2.3407 2.3407 2.4485 2.4485 2.5368 2.5368 2.6239 2.6239 2.7773 2.7773 2.9212 2.9212 3.0196 3.0196 3.1439 3.1439 3.2836 3.2836 3.4111 3.4111 3.5149 3.5149 3.5611 3.5611 3.7189 3.7189 3.7976 3.7976 3.8921 3.8921 3.9362 3.9362 4.0435 4.0435 4.1607 4.1607 4.2848 4.2848 4.3530 4.3530 4.4063 4.4063 4.6418 4.6418 4.7073 4.7073 4.8147 4.8147 4.9382 4.9382 5.2011 5.2011 5.5515 5.5515 5.6752 5.6752 5.9500 5.9500 6.1153 6.1153 6.6379 6.6379 7.3612 7.3612 7.7972 7.7972 8.6374 8.6374 8.9750 8.9750 9.1404 9.1404 9.2057 9.2057 10.0296 10.0296 10.0980 10.0980 11.1600 11.1600 11.6220 11.6220 11.7394 11.7394 k = 0.5000 0.1346 0.2668 ( 11860 PWs) bands (ev): -4.4175 -4.4175 -4.3966 -4.3966 -4.1475 -4.1475 -3.9316 -3.9316 -3.0525 -3.0525 -2.9113 -2.9113 -2.8873 -2.8873 -2.7359 -2.7359 1.4925 1.4925 1.6303 1.6303 1.8595 1.8595 2.0595 2.0595 2.2206 2.2206 2.3460 2.3460 2.4507 2.4507 2.5351 2.5351 2.6291 2.6291 2.7936 2.7936 2.9141 2.9141 3.0156 3.0156 3.1489 3.1489 3.2932 3.2932 3.4041 3.4041 3.5042 3.5042 3.5591 3.5591 3.7049 3.7049 3.7903 3.7903 3.8843 3.8843 3.9367 3.9367 4.0453 4.0453 4.1324 4.1324 4.2694 4.2694 4.3342 4.3342 4.3702 4.3702 4.5983 4.5983 4.6973 4.6973 4.7734 4.7734 4.8978 4.8978 5.2216 5.2216 5.5463 5.5463 5.7328 5.7328 6.0110 6.0110 6.1829 6.1829 6.7456 6.7456 7.4232 7.4232 7.8452 7.8452 8.5868 8.5868 8.9335 8.9335 9.0928 9.0928 9.1615 9.1615 9.9981 9.9981 10.0629 10.0629 11.1360 11.1360 11.6198 11.6198 11.7007 11.7007 k = 0.5000 0.1212 0.2668 ( 11862 PWs) bands (ev): -4.4161 -4.4161 -4.4015 -4.4015 -4.1391 -4.1391 -3.9368 -3.9368 -3.0424 -3.0424 -2.9088 -2.9088 -2.8900 -2.8900 -2.7487 -2.7487 1.5036 1.5036 1.6329 1.6329 1.8732 1.8732 2.0687 2.0687 2.2224 2.2224 2.3486 2.3486 2.4543 2.4543 2.5338 2.5338 2.6355 2.6355 2.8062 2.8062 2.9121 2.9121 3.0122 3.0122 3.1518 3.1518 3.3045 3.3045 3.3978 3.3978 3.4918 3.4918 3.5574 3.5574 3.6885 3.6885 3.7826 3.7826 3.8762 3.8762 3.9385 3.9385 4.0462 4.0462 4.1071 4.1071 4.2549 4.2549 4.3129 4.3129 4.3429 4.3429 4.5542 4.5542 4.6800 4.6800 4.7412 4.7412 4.8581 4.8581 5.2405 5.2405 5.5309 5.5309 5.7965 5.7965 6.0881 6.0881 6.2572 6.2572 6.8571 6.8571 7.4709 7.4709 7.8694 7.8694 8.5531 8.5531 8.8897 8.8897 9.0272 9.0272 9.1363 9.1363 9.9608 9.9608 10.0230 10.0230 11.1127 11.1127 11.5920 11.5920 11.6940 11.6940 k = 0.5000 0.1077 0.2668 ( 11872 PWs) bands (ev): -4.4157 -4.4157 -4.4059 -4.4059 -4.1291 -4.1291 -3.9430 -3.9430 -3.0320 -3.0320 -2.9069 -2.9069 -2.8922 -2.8922 -2.7615 -2.7615 1.5151 1.5151 1.6346 1.6346 1.8879 1.8879 2.0756 2.0756 2.2245 2.2245 2.3480 2.3480 2.4594 2.4594 2.5331 2.5331 2.6430 2.6430 2.8124 2.8124 2.9170 2.9170 3.0092 3.0092 3.1533 3.1533 3.3165 3.3165 3.3929 3.3929 3.4784 3.4784 3.5556 3.5556 3.6698 3.6698 3.7749 3.7749 3.8682 3.8682 3.9413 3.9413 4.0453 4.0453 4.0860 4.0860 4.2417 4.2417 4.2888 4.2888 4.3238 4.3238 4.5108 4.5108 4.6511 4.6511 4.7228 4.7228 4.8219 4.8219 5.2566 5.2566 5.5096 5.5096 5.8652 5.8652 6.1780 6.1780 6.3328 6.3328 6.9713 6.9713 7.5010 7.5010 7.8695 7.8695 8.5323 8.5323 8.8388 8.8388 8.9705 8.9705 9.1195 9.1195 9.9184 9.9184 9.9780 9.9780 11.0938 11.0938 11.5390 11.5390 11.7208 11.7208 k = 0.5000 0.0942 0.2668 ( 11878 PWs) bands (ev): -4.4161 -4.4161 -4.4098 -4.4098 -4.1178 -4.1178 -3.9502 -3.9502 -3.0213 -3.0213 -2.9068 -2.9068 -2.8926 -2.8926 -2.7743 -2.7743 1.5268 1.5268 1.6351 1.6351 1.9034 1.9034 2.0797 2.0797 2.2272 2.2272 2.3446 2.3446 2.4661 2.4661 2.5330 2.5330 2.6515 2.6515 2.8115 2.8115 2.9284 2.9284 3.0066 3.0066 3.1547 3.1547 3.3270 3.3270 3.3907 3.3907 3.4655 3.4655 3.5526 3.5526 3.6495 3.6495 3.7678 3.7678 3.8605 3.8605 3.9450 3.9450 4.0408 4.0408 4.0716 4.0716 4.2302 4.2302 4.2653 4.2653 4.3090 4.3090 4.4699 4.4699 4.6154 4.6154 4.7134 4.7134 4.7909 4.7909 5.2700 5.2700 5.4856 5.4856 5.9384 5.9384 6.2752 6.2752 6.4067 6.4067 7.0870 7.0870 7.5111 7.5111 7.8513 7.8513 8.5125 8.5125 8.7717 8.7717 8.9441 8.9441 9.1120 9.1120 9.8713 9.8713 9.9280 9.9280 11.0810 11.0810 11.4818 11.4818 11.7605 11.7605 k = 0.5000 0.0808 0.2668 ( 11872 PWs) bands (ev): -4.4170 -4.4170 -4.4132 -4.4132 -4.1054 -4.1054 -3.9583 -3.9583 -3.0106 -3.0106 -2.9093 -2.9093 -2.8904 -2.8904 -2.7868 -2.7868 1.5386 1.5386 1.6344 1.6344 1.9197 1.9197 2.0807 2.0807 2.2310 2.2310 2.3387 2.3387 2.4737 2.4737 2.5332 2.5332 2.6610 2.6610 2.8055 2.8055 2.9429 2.9429 3.0044 3.0044 3.1575 3.1575 3.3331 3.3331 3.3922 3.3922 3.4550 3.4550 3.5476 3.5476 3.6280 3.6280 3.7625 3.7625 3.8529 3.8529 3.9493 3.9493 4.0313 4.0313 4.0658 4.0658 4.2195 4.2195 4.2446 4.2446 4.2954 4.2954 4.4336 4.4336 4.5782 4.5782 4.7075 4.7075 4.7657 4.7657 5.2814 5.2814 5.4609 5.4609 6.0150 6.0150 6.3724 6.3724 6.4788 6.4788 7.2029 7.2029 7.5000 7.5000 7.8242 7.8242 8.4803 8.4803 8.6904 8.6904 8.9535 8.9535 9.1171 9.1171 9.8200 9.8200 9.8731 9.8731 11.0753 11.0753 11.4262 11.4262 11.8067 11.8067 k = 0.5000 0.0673 0.2668 ( 11866 PWs) bands (ev): -4.4182 -4.4182 -4.4160 -4.4160 -4.0924 -4.0924 -3.9674 -3.9674 -2.9998 -2.9998 -2.9137 -2.9137 -2.8864 -2.8864 -2.7991 -2.7991 1.5504 1.5504 1.6323 1.6323 1.9368 1.9368 2.0783 2.0783 2.2361 2.2361 2.3310 2.3310 2.4821 2.4821 2.5333 2.5333 2.6714 2.6714 2.7966 2.7966 2.9569 2.9569 3.0025 3.0025 3.1635 3.1635 3.3324 3.3324 3.3970 3.3970 3.4501 3.4501 3.5393 3.5393 3.6066 3.6066 3.7598 3.7598 3.8448 3.8448 3.9541 3.9541 4.0198 4.0198 4.0660 4.0660 4.2077 4.2077 4.2285 4.2285 4.2815 4.2815 4.4048 4.4048 4.5418 4.5418 4.7034 4.7034 4.7459 4.7459 5.2915 5.2915 5.4369 5.4369 6.0938 6.0938 6.4552 6.4552 6.5565 6.5565 7.3168 7.3168 7.4688 7.4688 7.7977 7.7977 8.4308 8.4308 8.6027 8.6027 8.9911 8.9911 9.1363 9.1363 9.7648 9.7648 9.8141 9.8141 11.0765 11.0765 11.3739 11.3739 11.8566 11.8566 k = 0.5000 0.0538 0.2668 ( 11866 PWs) bands (ev): -4.4194 -4.4194 -4.4183 -4.4183 -4.0789 -4.0789 -3.9774 -3.9774 -2.9891 -2.9891 -2.9192 -2.9192 -2.8812 -2.8812 -2.8109 -2.8109 1.5619 1.5619 1.6289 1.6289 1.9543 1.9543 2.0725 2.0725 2.2427 2.2427 2.3220 2.3220 2.4906 2.4906 2.5329 2.5329 2.6828 2.6828 2.7860 2.7860 2.9684 2.9684 3.0007 3.0007 3.1736 3.1736 3.3246 3.3246 3.4030 3.4030 3.4534 3.4534 3.5269 3.5269 3.5862 3.5862 3.7603 3.7603 3.8360 3.8360 3.9593 3.9593 4.0094 4.0094 4.0697 4.0697 4.1923 4.1923 4.2186 4.2186 4.2663 4.2663 4.3860 4.3860 4.5075 4.5075 4.7005 4.7005 4.7309 4.7309 5.3010 5.3010 5.4145 5.4145 6.1731 6.1731 6.5068 6.5068 6.6508 6.6508 7.4024 7.4024 7.4438 7.4438 7.7792 7.7792 8.3682 8.3682 8.5130 8.5130 9.0468 9.0468 9.1686 9.1686 9.7066 9.7066 9.7518 9.7518 11.0844 11.0844 11.3255 11.3255 11.9083 11.9083 k = 0.5000 0.0404 0.2668 ( 11872 PWs) bands (ev): -4.4206 -4.4206 -4.4201 -4.4201 -4.0651 -4.0651 -3.9881 -3.9881 -2.9785 -2.9785 -2.9256 -2.9256 -2.8752 -2.8752 -2.8223 -2.8223 1.5731 1.5731 1.6242 1.6242 1.9720 1.9720 2.0637 2.0637 2.2506 2.2506 2.3120 2.3120 2.4990 2.4990 2.5315 2.5315 2.6950 2.6950 2.7743 2.7743 2.9766 2.9766 2.9989 2.9989 3.1884 3.1884 3.3109 3.3109 3.4101 3.4101 3.4636 3.4636 3.5109 3.5109 3.5673 3.5673 3.7642 3.7642 3.8260 3.8260 3.9647 3.9647 4.0007 4.0007 4.0766 4.0766 4.1742 4.1742 4.2134 4.2134 4.2503 4.2503 4.3779 4.3779 4.4758 4.4758 4.6988 4.6988 4.7197 4.7197 5.3106 5.3106 5.3939 5.3939 6.2509 6.2509 6.5275 6.5275 6.7563 6.7563 7.3458 7.3458 7.5387 7.5387 7.7723 7.7723 8.3022 8.3022 8.4241 8.4241 9.1122 9.1122 9.2100 9.2100 9.6472 9.6472 9.6883 9.6883 11.0983 11.0983 11.2810 11.2810 11.9602 11.9602 k = 0.5000 0.0269 0.2668 ( 11874 PWs) bands (ev): -4.4216 -4.4216 -4.4213 -4.4213 -4.0514 -4.0514 -3.9997 -3.9997 -2.9683 -2.9683 -2.9328 -2.9328 -2.8684 -2.8684 -2.8330 -2.8330 1.5837 1.5837 1.6182 1.6182 1.9896 1.9896 2.0522 2.0522 2.2596 2.2596 2.3015 2.3015 2.5069 2.5069 2.5290 2.5290 2.7079 2.7079 2.7617 2.7617 2.9824 2.9824 2.9967 2.9967 3.2070 3.2070 3.2929 3.2929 3.4201 3.4201 3.4755 3.4755 3.4947 3.4947 3.5496 3.5496 3.7712 3.7712 3.8150 3.8150 3.9702 3.9702 3.9934 3.9934 4.0866 4.0866 4.1548 4.1548 4.2115 4.2115 4.2358 4.2358 4.3793 4.3793 4.4475 4.4475 4.6983 4.6983 4.7115 4.7115 5.3207 5.3207 5.3754 5.3754 6.3252 6.3252 6.5226 6.5226 6.8650 6.8650 7.2662 7.2662 7.6322 7.6322 7.7746 7.7746 8.2451 8.2451 8.3396 8.3396 9.1800 9.1800 9.2532 9.2532 9.5908 9.5908 9.6266 9.6266 11.1177 11.1177 11.2404 11.2404 12.0101 12.0101 k = 0.5000 0.0135 0.2668 ( 11882 PWs) bands (ev): -4.4222 -4.4222 -4.4220 -4.4220 -4.0379 -4.0379 -4.0119 -4.0119 -2.9585 -2.9585 -2.9407 -2.9407 -2.8608 -2.8608 -2.8431 -2.8431 1.5937 1.5937 1.6111 1.6111 2.0069 2.0069 2.0386 2.0386 2.2695 2.2695 2.2907 2.2907 2.5140 2.5140 2.5252 2.5252 2.7214 2.7214 2.7485 2.7485 2.9868 2.9868 2.9938 2.9938 3.2281 3.2281 3.2722 3.2722 3.4334 3.4334 3.4676 3.4676 3.4992 3.4992 3.5323 3.5323 3.7806 3.7806 3.8033 3.8033 3.9757 3.9757 3.9871 3.9871 4.1001 4.1001 4.1351 4.1351 4.2125 4.2125 4.2244 4.2244 4.3882 4.3882 4.4231 4.4231 4.6991 4.6991 4.7055 4.7055 5.3319 5.3319 5.3590 5.3590 6.3931 6.3931 6.4959 6.4959 6.9728 6.9728 7.1756 7.1756 7.7076 7.7076 7.7752 7.7752 8.2129 8.2129 8.2672 8.2672 9.2418 9.2418 9.2848 9.2848 9.5485 9.5485 9.5729 9.5729 11.1420 11.1420 11.2036 11.2036 12.0553 12.0553 k = 0.5000-0.0000 0.2668 ( 11880 PWs) bands (ev): -4.4223 -4.4223 -4.4223 -4.4223 -4.0246 -4.0246 -4.0246 -4.0246 -2.9493 -2.9493 -2.9493 -2.9493 -2.8523 -2.8523 -2.8523 -2.8523 1.6029 1.6029 1.6029 1.6029 2.0233 2.0233 2.0233 2.0233 2.2800 2.2800 2.2800 2.2800 2.5202 2.5202 2.5202 2.5202 2.7350 2.7350 2.7350 2.7350 2.9906 2.9906 2.9906 2.9906 3.2502 3.2502 3.2502 3.2502 3.4498 3.4498 3.4498 3.4498 3.5153 3.5153 3.5153 3.5153 3.7916 3.7916 3.7916 3.7916 3.9813 3.9813 3.9813 3.9813 4.1165 4.1165 4.1165 4.1165 4.2167 4.2167 4.2167 4.2167 4.4031 4.4031 4.4031 4.4031 4.7015 4.7015 4.7015 4.7015 5.3446 5.3446 5.3446 5.3446 6.4513 6.4513 6.4513 6.4513 7.0770 7.0770 7.0770 7.0770 7.7563 7.7563 7.7563 7.7563 8.2202 8.2202 8.2202 8.2202 9.2829 9.2829 9.2829 9.2829 9.5408 9.5408 9.5408 9.5408 11.1708 11.1708 11.1708 11.1708 12.0928 12.0928 k = 0.5000-0.0000 0.2668 ( 11880 PWs) bands (ev): -4.4223 -4.4223 -4.4223 -4.4223 -4.0246 -4.0246 -4.0246 -4.0246 -2.9493 -2.9493 -2.9493 -2.9493 -2.8523 -2.8523 -2.8523 -2.8523 1.6029 1.6029 1.6029 1.6029 2.0233 2.0233 2.0233 2.0233 2.2800 2.2800 2.2800 2.2800 2.5202 2.5202 2.5202 2.5202 2.7350 2.7350 2.7350 2.7350 2.9906 2.9906 2.9906 2.9906 3.2502 3.2502 3.2502 3.2502 3.4498 3.4498 3.4498 3.4498 3.5153 3.5153 3.5153 3.5153 3.7916 3.7916 3.7916 3.7916 3.9813 3.9813 3.9813 3.9813 4.1165 4.1165 4.1165 4.1165 4.2167 4.2167 4.2167 4.2167 4.4031 4.4031 4.4031 4.4031 4.7015 4.7015 4.7015 4.7015 5.3446 5.3446 5.3446 5.3446 6.4513 6.4513 6.4513 6.4513 7.0770 7.0770 7.0770 7.0770 7.7563 7.7563 7.7563 7.7563 8.2202 8.2202 8.2202 8.2202 9.2829 9.2829 9.2829 9.2829 9.5408 9.5408 9.5408 9.5408 11.1708 11.1708 11.1708 11.1708 12.0928 12.0928 k = 0.5000-0.0000 0.2527 ( 11884 PWs) bands (ev): -4.4426 -4.4426 -4.4025 -4.4025 -4.0316 -4.0316 -4.0170 -4.0170 -2.9730 -2.9730 -2.9278 -2.9278 -2.8526 -2.8526 -2.8488 -2.8488 1.5940 1.5940 1.6109 1.6109 2.0108 2.0108 2.0312 2.0312 2.2610 2.2610 2.2969 2.2969 2.5116 2.5116 2.5247 2.5247 2.7185 2.7185 2.7512 2.7512 2.9792 2.9792 3.0055 3.0055 3.2338 3.2338 3.2652 3.2652 3.4373 3.4373 3.4577 3.4577 3.5033 3.5033 3.5288 3.5288 3.7850 3.7850 3.7958 3.7958 3.9677 3.9677 3.9962 3.9962 4.1006 4.1006 4.1295 4.1295 4.2067 4.2067 4.2307 4.2307 4.3875 4.3875 4.4253 4.4253 4.6948 4.6948 4.7192 4.7192 5.3378 5.3378 5.3624 5.3624 6.4270 6.4270 6.4752 6.4752 7.0455 7.0455 7.1040 7.1040 7.7154 7.7154 7.7955 7.7955 8.1987 8.1987 8.2423 8.2423 9.2391 9.2391 9.2824 9.2824 9.5398 9.5398 9.5755 9.5755 11.1047 11.1047 11.2271 11.2271 12.0880 12.0933 k = 0.5000-0.0000 0.2387 ( 11868 PWs) bands (ev): -4.4629 -4.4629 -4.3832 -4.3832 -4.0377 -4.0377 -4.0088 -4.0088 -2.9968 -2.9968 -2.9127 -2.9127 -2.8497 -2.8497 -2.8403 -2.8403 1.5841 1.5841 1.6179 1.6179 1.9945 1.9945 2.0337 2.0337 2.2401 2.2401 2.3115 2.3115 2.5001 2.5001 2.5248 2.5248 2.7033 2.7033 2.7656 2.7656 2.9714 2.9714 3.0234 3.0234 3.2167 3.2167 3.2780 3.2780 3.4226 3.4226 3.4574 3.4574 3.4968 3.4968 3.5418 3.5418 3.7766 3.7766 3.7974 3.7974 3.9566 3.9566 4.0099 4.0099 4.0843 4.0843 4.1385 4.1385 4.2053 4.2053 4.2427 4.2427 4.3804 4.3804 4.4532 4.4532 4.6996 4.6996 4.7473 4.7473 5.3420 5.3420 5.3907 5.3907 6.4021 6.4021 6.4987 6.4987 7.0098 7.0098 7.1262 7.1262 7.6733 7.6733 7.8320 7.8320 8.1775 8.1775 8.2649 8.2649 9.1709 9.1709 9.2394 9.2394 9.5698 9.5698 9.6239 9.6239 11.0346 11.0346 11.2687 11.2687 12.0691 12.0712 k = 0.5000-0.0000 0.2246 ( 11874 PWs) bands (ev): -4.4832 -4.4832 -4.3648 -4.3648 -4.0429 -4.0429 -4.0001 -4.0001 -3.0195 -3.0195 -2.9066 -2.9066 -2.8462 -2.8462 -2.8227 -2.8227 1.5731 1.5731 1.6241 1.6241 1.9751 1.9751 2.0304 2.0304 2.2173 2.2173 2.3235 2.3235 2.4873 2.4873 2.5209 2.5209 2.6903 2.6903 2.7771 2.7771 2.9666 2.9666 3.0425 3.0425 3.1997 3.1997 3.2883 3.2883 3.4073 3.4073 3.4476 3.4476 3.4973 3.4973 3.5536 3.5536 3.7671 3.7671 3.7965 3.7965 3.9482 3.9482 4.0176 4.0176 4.0729 4.0729 4.1429 4.1429 4.2126 4.2126 4.2496 4.2496 4.3828 4.3828 4.4866 4.4866 4.7162 4.7162 4.7855 4.7855 5.3570 5.3570 5.4289 5.4289 6.3769 6.3769 6.5217 6.5217 6.9706 6.9706 7.1434 7.1434 7.6306 7.6306 7.8649 7.8649 8.1568 8.1568 8.2882 8.2882 9.0910 9.0910 9.1752 9.1752 9.6082 9.6082 9.6724 9.6724 10.9666 10.9666 11.2916 11.2916 12.0525 12.0613 k = 0.5000-0.0000 0.2106 ( 11880 PWs) bands (ev): -4.5032 -4.5032 -4.3476 -4.3476 -4.0471 -4.0471 -3.9911 -3.9911 -3.0406 -3.0406 -2.9071 -2.9071 -2.8433 -2.8433 -2.7980 -2.7980 1.5610 1.5610 1.6294 1.6294 1.9534 1.9534 2.0212 2.0212 2.1927 2.1927 2.3328 2.3328 2.4752 2.4752 2.5143 2.5143 2.6798 2.6798 2.7850 2.7850 2.9639 2.9639 3.0603 3.0603 3.1840 3.1840 3.2959 3.2959 3.3931 3.3931 3.4333 3.4333 3.5004 3.5004 3.5639 3.5639 3.7571 3.7571 3.7933 3.7933 3.9422 3.9422 4.0144 4.0144 4.0717 4.0717 4.1440 4.1440 4.2188 4.2188 4.2603 4.2603 4.3916 4.3916 4.5258 4.5258 4.7445 4.7445 4.8330 4.8330 5.3824 5.3824 5.4760 5.4760 6.3514 6.3514 6.5444 6.5444 6.9284 6.9284 7.1556 7.1556 7.5877 7.5877 7.8926 7.8926 8.1369 8.1369 8.3120 8.3120 9.0049 9.0049 9.1023 9.1023 9.6401 9.6401 9.7145 9.7145 10.9068 10.9068 11.2936 11.2936 12.0031 12.0032 k = 0.5000-0.0000 0.1966 ( 11886 PWs) bands (ev): -4.5226 -4.5226 -4.3316 -4.3316 -4.0504 -4.0504 -3.9818 -3.9818 -3.0596 -3.0596 -2.9107 -2.9107 -2.8410 -2.8410 -2.7698 -2.7698 1.5476 1.5476 1.6336 1.6336 1.9301 1.9301 2.0063 2.0063 2.1663 2.1663 2.3391 2.3391 2.4656 2.4656 2.5064 2.5064 2.6714 2.6714 2.7889 2.7889 2.9626 2.9626 3.0737 3.0737 3.1713 3.1713 3.3009 3.3009 3.3811 3.3811 3.4179 3.4179 3.5034 3.5034 3.5729 3.5729 3.7471 3.7471 3.7887 3.7887 3.9376 3.9376 4.0041 4.0041 4.0774 4.0774 4.1437 4.1437 4.2134 4.2134 4.2864 4.2864 4.4026 4.4026 4.5700 4.5700 4.7834 4.7834 4.8894 4.8894 5.4172 5.4172 5.5312 5.5312 6.3259 6.3259 6.5666 6.5666 6.8843 6.8843 7.1632 7.1632 7.5448 7.5448 7.9128 7.9128 8.1190 8.1190 8.3364 8.3364 8.9152 8.9152 9.0261 9.0261 9.6576 9.6576 9.7465 9.7465 10.8611 10.8611 11.2745 11.2745 11.9292 11.9292 k = 0.5000-0.0000 0.1825 ( 11880 PWs) bands (ev): -4.5414 -4.5414 -4.3172 -4.3172 -4.0526 -4.0526 -3.9725 -3.9725 -3.0763 -3.0763 -2.9158 -2.9158 -2.8395 -2.8395 -2.7401 -2.7401 1.5328 1.5328 1.6366 1.6366 1.9060 1.9060 1.9869 1.9869 2.1382 2.1382 2.3427 2.3427 2.4591 2.4591 2.4982 2.4982 2.6647 2.6647 2.7887 2.7887 2.9624 2.9624 3.0796 3.0796 3.1636 3.1636 3.3040 3.3040 3.3712 3.3712 3.4037 3.4037 3.5052 3.5052 3.5811 3.5811 3.7376 3.7376 3.7832 3.7832 3.9332 3.9332 3.9935 3.9935 4.0841 4.0841 4.1431 4.1431 4.2018 4.2018 4.3229 4.3229 4.4138 4.4138 4.6182 4.6182 4.8318 4.8318 4.9535 4.9535 5.4603 5.4603 5.5930 5.5930 6.3008 6.3008 6.5883 6.5883 6.8392 6.8392 7.1666 7.1666 7.5022 7.5022 7.9217 7.9217 8.1054 8.1054 8.3607 8.3607 8.8233 8.8233 8.9493 8.9493 9.6568 9.6568 9.7657 9.7657 10.8339 10.8339 11.2356 11.2356 11.8618 11.8618 k = 0.5000-0.0000 0.1685 ( 11874 PWs) bands (ev): -4.5593 -4.5593 -4.3043 -4.3043 -4.0540 -4.0540 -3.9632 -3.9632 -3.0905 -3.0905 -2.9216 -2.9216 -2.8389 -2.8389 -2.7101 -2.7101 1.5167 1.5167 1.6384 1.6384 1.8818 1.8818 1.9642 1.9642 2.1090 2.1090 2.3441 2.3441 2.4553 2.4553 2.4907 2.4907 2.6597 2.6597 2.7845 2.7845 2.9626 2.9626 3.0773 3.0773 3.1611 3.1611 3.3054 3.3054 3.3617 3.3617 3.3935 3.3935 3.5052 3.5052 3.5889 3.5889 3.7286 3.7286 3.7773 3.7773 3.9280 3.9280 3.9856 3.9856 4.0896 4.0896 4.1424 4.1424 4.1886 4.1886 4.3634 4.3634 4.4267 4.4267 4.6690 4.6690 4.8878 4.8878 5.0238 5.0238 5.5103 5.5103 5.6602 5.6602 6.2766 6.2766 6.6089 6.6089 6.7950 6.7950 7.1663 7.1663 7.4598 7.4598 7.9157 7.9157 8.0987 8.0987 8.3840 8.3840 8.7310 8.7310 8.8732 8.8732 9.6371 9.6371 9.7703 9.7703 10.8270 10.8270 11.1802 11.1802 11.8104 11.8104 k = 0.5000-0.0000 0.1544 ( 11868 PWs) bands (ev): -4.5763 -4.5763 -4.2931 -4.2931 -4.0545 -4.0545 -3.9540 -3.9540 -3.1022 -3.1022 -2.9275 -2.9275 -2.8392 -2.8392 -2.6805 -2.6805 1.4992 1.4992 1.6386 1.6386 1.8582 1.8582 1.9397 1.9397 2.0794 2.0794 2.3441 2.3441 2.4524 2.4524 2.4847 2.4847 2.6561 2.6561 2.7772 2.7772 2.9622 2.9622 3.0704 3.0704 3.1610 3.1610 3.3049 3.3049 3.3514 3.3514 3.3895 3.3895 3.5034 3.5034 3.5967 3.5967 3.7205 3.7205 3.7714 3.7714 3.9214 3.9214 3.9812 3.9812 4.0934 4.0934 4.1415 4.1415 4.1762 4.1762 4.3980 4.3980 4.4488 4.4488 4.7214 4.7214 4.9497 4.9497 5.0985 5.0985 5.5654 5.5654 5.7312 5.7312 6.2546 6.2546 6.6264 6.6264 6.7551 6.7551 7.1632 7.1632 7.4174 7.4174 7.8936 7.8936 8.0991 8.0991 8.4031 8.4031 8.6415 8.6415 8.7990 8.7990 9.6015 9.6015 9.7596 9.7596 10.8388 10.8388 11.1126 11.1126 11.7775 11.7775 k = 0.5000-0.0000 0.1404 ( 11868 PWs) bands (ev): -4.5921 -4.5921 -4.2835 -4.2835 -4.0543 -4.0543 -3.9452 -3.9452 -3.1113 -3.1113 -2.9335 -2.9335 -2.8404 -2.8404 -2.6517 -2.6517 1.4807 1.4807 1.6371 1.6371 1.8356 1.8356 1.9149 1.9149 2.0504 2.0504 2.3434 2.3434 2.4486 2.4486 2.4812 2.4812 2.6541 2.6541 2.7677 2.7677 2.9596 2.9596 3.0637 3.0637 3.1606 3.1606 3.3020 3.3020 3.3411 3.3411 3.3910 3.3910 3.4997 3.4997 3.6043 3.6043 3.7133 3.7133 3.7658 3.7658 3.9136 3.9136 3.9798 3.9798 4.0954 4.0954 4.1391 4.1391 4.1666 4.1666 4.4160 4.4160 4.4899 4.4899 4.7748 4.7748 5.0157 5.0157 5.1750 5.1750 5.6238 5.6238 5.8041 5.8041 6.2362 6.2362 6.6332 6.6332 6.7288 6.7288 7.1583 7.1583 7.3748 7.3748 7.8577 7.8577 8.1036 8.1036 8.4066 8.4066 8.5660 8.5660 8.7276 8.7276 9.5550 9.5550 9.7340 9.7340 10.8651 10.8651 11.0383 11.0383 11.7503 11.7503 k = 0.5000-0.0000 0.1264 ( 11864 PWs) bands (ev): -4.6068 -4.6068 -4.2755 -4.2755 -4.0536 -4.0536 -3.9367 -3.9367 -3.1179 -3.1179 -2.9392 -2.9392 -2.8424 -2.8424 -2.6242 -2.6242 1.4614 1.4614 1.6337 1.6337 1.8142 1.8142 1.8912 1.8912 2.0230 2.0230 2.3424 2.3424 2.4424 2.4424 2.4802 2.4802 2.6538 2.6538 2.7573 2.7573 2.9535 2.9535 3.0603 3.0603 3.1585 3.1585 3.2962 3.2962 3.3327 3.3327 3.3961 3.3961 3.4945 3.4945 3.6116 3.6116 3.7073 3.7073 3.7605 3.7605 3.9053 3.9053 3.9807 3.9807 4.0959 4.0959 4.1338 4.1338 4.1616 4.1616 4.4247 4.4247 4.5415 4.5415 4.8286 4.8286 5.0836 5.0836 5.2503 5.2503 5.6835 5.6835 5.8771 5.8771 6.2235 6.2235 6.6181 6.6181 6.7294 6.7294 7.1526 7.1526 7.3315 7.3315 7.8112 7.8112 8.1086 8.1086 8.3670 8.3670 8.5303 8.5303 8.6611 8.6611 9.5036 9.5036 9.6950 9.6950 10.8984 10.8984 10.9652 10.9652 11.6951 11.6951 k = 0.5000-0.0000 0.1123 ( 11870 PWs) bands (ev): -4.6201 -4.6201 -4.2689 -4.2689 -4.0527 -4.0527 -3.9288 -3.9288 -3.1222 -3.1222 -2.9447 -2.9447 -2.8452 -2.8452 -2.5983 -2.5983 1.4419 1.4419 1.6284 1.6284 1.7944 1.7944 1.8697 1.8697 1.9980 1.9980 2.3415 2.3415 2.4343 2.4343 2.4809 2.4809 2.6549 2.6549 2.7472 2.7472 2.9437 2.9437 3.0612 3.0612 3.1546 3.1546 3.2884 3.2884 3.3267 3.3267 3.4028 3.4028 3.4882 3.4882 3.6184 3.6184 3.7027 3.7027 3.7555 3.7555 3.8971 3.8971 3.9829 3.9829 4.0947 4.0947 4.1265 4.1265 4.1605 4.1605 4.4303 4.4303 4.5965 4.5965 4.8824 4.8824 5.1511 5.1511 5.3209 5.3209 5.7423 5.7423 5.9478 5.9478 6.2197 6.2197 6.5891 6.5891 6.7510 6.7510 7.1473 7.1473 7.2874 7.2874 7.7569 7.7569 8.1114 8.1114 8.2874 8.2874 8.5213 8.5213 8.6104 8.6104 9.4525 9.4525 9.6450 9.6450 10.8771 10.8771 10.9540 10.9540 11.6325 11.6325 k = 0.5000-0.0000 0.0983 ( 11846 PWs) bands (ev): -4.6321 -4.6321 -4.2634 -4.2634 -4.0516 -4.0516 -3.9215 -3.9215 -3.1245 -3.1245 -2.9497 -2.9497 -2.8487 -2.8487 -2.5745 -2.5745 1.4227 1.4227 1.6214 1.6214 1.7761 1.7761 1.8509 1.8509 1.9760 1.9760 2.3406 2.3406 2.4250 2.4250 2.4822 2.4822 2.6571 2.6571 2.7383 2.7383 2.9315 2.9315 3.0655 3.0655 3.1493 3.1493 3.2801 3.2801 3.3223 3.3223 3.4097 3.4097 3.4815 3.4815 3.6242 3.6242 3.6997 3.6997 3.7508 3.7508 3.8894 3.8894 3.9860 3.9860 4.0919 4.0919 4.1196 4.1196 4.1614 4.1614 4.4345 4.4345 4.6522 4.6522 4.9357 4.9357 5.2149 5.2149 5.3831 5.3831 5.7982 5.7982 6.0141 6.0141 6.2280 6.2280 6.5584 6.5584 6.7831 6.7831 7.1429 7.1429 7.2427 7.2427 7.6973 7.6973 8.1086 8.1086 8.1963 8.1963 8.4859 8.4859 8.6029 8.6029 9.4057 9.4057 9.5872 9.5872 10.8096 10.8096 10.9947 10.9947 11.5715 11.5715 k = 0.5000-0.0000 0.0842 ( 11852 PWs) bands (ev): -4.6426 -4.6426 -4.2591 -4.2591 -4.0505 -4.0505 -3.9150 -3.9150 -3.1250 -3.1250 -2.9541 -2.9541 -2.8526 -2.8526 -2.5531 -2.5531 1.4044 1.4044 1.6131 1.6131 1.7596 1.7596 1.8352 1.8352 1.9574 1.9574 2.3400 2.3400 2.4151 2.4151 2.4836 2.4836 2.6597 2.6597 2.7316 2.7316 2.9180 2.9180 3.0716 3.0716 3.1430 3.1430 3.2726 3.2726 3.3188 3.3188 3.4155 3.4155 3.4751 3.4751 3.6288 3.6288 3.6985 3.6985 3.7463 3.7463 3.8824 3.8824 3.9896 3.9896 4.0873 4.0873 4.1144 4.1144 4.1631 4.1631 4.4379 4.4379 4.7068 4.7068 4.9883 4.9883 5.2708 5.2708 5.4345 5.4345 5.8489 5.8489 6.0747 6.0747 6.2508 6.2508 6.5307 6.5307 6.8224 6.8224 7.1379 7.1379 7.2001 7.2001 7.6345 7.6345 8.0801 8.0801 8.1226 8.1226 8.4304 8.4304 8.6247 8.6247 9.3655 9.3655 9.5248 9.5248 10.7462 10.7462 11.0347 11.0347 11.5163 11.5163 k = 0.5000-0.0000 0.0702 ( 11844 PWs) bands (ev): -4.6516 -4.6516 -4.2557 -4.2557 -4.0495 -4.0495 -3.9093 -3.9093 -3.1243 -3.1243 -2.9581 -2.9581 -2.8566 -2.8566 -2.5344 -2.5344 1.3877 1.3877 1.6041 1.6041 1.7451 1.7451 1.8225 1.8225 1.9423 1.9423 2.3397 2.3397 2.4052 2.4052 2.4848 2.4848 2.6620 2.6620 2.7275 2.7275 2.9046 2.9046 3.0785 3.0785 3.1364 3.1364 3.2666 3.2666 3.3158 3.3158 3.4191 3.4191 3.4701 3.4701 3.6320 3.6320 3.6991 3.6991 3.7419 3.7419 3.8763 3.8763 3.9934 3.9934 4.0817 4.0817 4.1109 4.1109 4.1649 4.1649 4.4406 4.4406 4.7587 4.7587 5.0397 5.0397 5.3134 5.3134 5.4753 5.4753 5.8930 5.8930 6.1297 6.1297 6.2882 6.2882 6.5070 6.5070 6.8670 6.8670 7.1203 7.1203 7.1733 7.1733 7.5709 7.5709 7.9970 7.9970 8.0978 8.0978 8.3763 8.3763 8.6546 8.6546 9.3328 9.3328 9.4615 9.4615 10.6906 10.6906 11.0678 11.0678 11.4710 11.4710 k = 0.5000-0.0000 0.0562 ( 11832 PWs) bands (ev): -4.6590 -4.6590 -4.2530 -4.2530 -4.0487 -4.0487 -3.9045 -3.9045 -3.1227 -3.1227 -2.9613 -2.9613 -2.8606 -2.8606 -2.5187 -2.5187 1.3732 1.3732 1.5953 1.5953 1.7329 1.7329 1.8125 1.8125 1.9307 1.9307 2.3396 2.3396 2.3961 2.3961 2.4857 2.4857 2.6635 2.6635 2.7264 2.7264 2.8919 2.8919 3.0852 3.0852 3.1298 3.1298 3.2625 3.2625 3.3132 3.3132 3.4201 3.4201 3.4672 3.4672 3.6341 3.6341 3.7012 3.7012 3.7375 3.7375 3.8711 3.8711 3.9971 3.9971 4.0758 4.0758 4.1086 4.1086 4.1666 4.1666 4.4427 4.4427 4.8061 4.8061 5.0895 5.0895 5.3378 5.3378 5.5082 5.5082 5.9294 5.9294 6.1795 6.1795 6.3368 6.3368 6.4873 6.4873 6.9133 6.9133 7.0816 7.0816 7.1739 7.1739 7.5083 7.5083 7.9109 7.9109 8.0724 8.0724 8.3321 8.3321 8.6868 8.6868 9.3072 9.3072 9.4008 9.4008 10.6441 10.6441 11.0904 11.0904 11.4386 11.4386 k = 0.5000-0.0000 0.0421 ( 11826 PWs) bands (ev): -4.6648 -4.6648 -4.2511 -4.2511 -4.0481 -4.0481 -3.9007 -3.9007 -3.1208 -3.1208 -2.9639 -2.9639 -2.8642 -2.8642 -2.5062 -2.5062 1.3614 1.3614 1.5874 1.5874 1.7231 1.7231 1.8049 1.8049 1.9223 1.9223 2.3398 2.3398 2.3881 2.3881 2.4863 2.4863 2.6641 2.6641 2.7277 2.7277 2.8809 2.8809 3.0914 3.0914 3.1237 3.1237 3.2599 3.2599 3.3110 3.3110 3.4186 3.4186 3.4664 3.4664 3.6351 3.6351 3.7045 3.7045 3.7332 3.7332 3.8670 3.8670 4.0006 4.0006 4.0703 4.0703 4.1071 4.1071 4.1680 4.1680 4.4444 4.4444 4.8467 4.8467 5.1372 5.1372 5.3426 5.3426 5.5349 5.5349 5.9587 5.9587 6.2229 6.2229 6.3906 6.3906 6.4715 6.4715 6.9508 6.9508 7.0446 7.0446 7.1886 7.1886 7.4485 7.4485 7.8342 7.8342 8.0402 8.0402 8.3011 8.3011 8.7182 8.7182 9.2870 9.2870 9.3477 9.3477 10.6074 10.6074 11.1017 11.1017 11.4199 11.4199 k = 0.5000-0.0000 0.0281 ( 11842 PWs) bands (ev): -4.6690 -4.6690 -4.2497 -4.2497 -4.0477 -4.0477 -3.8979 -3.8979 -3.1190 -3.1190 -2.9658 -2.9658 -2.8670 -2.8670 -2.4971 -2.4971 1.3526 1.3526 1.5812 1.5812 1.7160 1.7160 1.7996 1.7996 1.9166 1.9166 2.3402 2.3402 2.3818 2.3818 2.4866 2.4866 2.6640 2.6640 2.7300 2.7300 2.8720 2.8720 3.0968 3.0968 3.1181 3.1181 3.2587 3.2587 3.3092 3.3092 3.4162 3.4162 3.4668 3.4668 3.6356 3.6356 3.7085 3.7085 3.7288 3.7288 3.8640 3.8640 4.0035 4.0035 4.0658 4.0658 4.1062 4.1062 4.1691 4.1691 4.4455 4.4455 4.8783 4.8783 5.1819 5.1819 5.3310 5.3310 5.5548 5.5548 5.9811 5.9811 6.2569 6.2569 6.4372 6.4372 6.4650 6.4650 6.9508 6.9508 7.0412 7.0412 7.2129 7.2129 7.3924 7.3924 7.7727 7.7727 8.0072 8.0072 8.2822 8.2822 8.7455 8.7455 9.2681 9.2681 9.3093 9.3093 10.5810 10.5810 11.1044 11.1044 11.4121 11.4121 k = 0.5000-0.0000 0.0140 ( 11838 PWs) bands (ev): -4.6715 -4.6715 -4.2489 -4.2489 -4.0474 -4.0474 -3.8963 -3.8963 -3.1177 -3.1177 -2.9669 -2.9669 -2.8689 -2.8689 -2.4916 -2.4916 1.3472 1.3472 1.5772 1.5772 1.7117 1.7117 1.7965 1.7965 1.9134 1.9134 2.3406 2.3406 2.3777 2.3777 2.4868 2.4868 2.6638 2.6638 2.7322 2.7322 2.8663 2.8663 3.1014 3.1014 3.1134 3.1134 3.2583 3.2583 3.3080 3.3080 3.4142 3.4142 3.4674 3.4674 3.6357 3.6357 3.7126 3.7126 3.7245 3.7245 3.8622 3.8622 4.0055 4.0055 4.0629 4.0629 4.1057 4.1057 4.1697 4.1697 4.4462 4.4462 4.8984 4.8984 5.2216 5.2216 5.3091 5.3091 5.5668 5.5668 5.9957 5.9957 6.2785 6.2785 6.4430 6.4430 6.4915 6.4915 6.9257 6.9257 7.0602 7.0602 7.2456 7.2456 7.3413 7.3413 7.7324 7.7324 7.9823 7.9823 8.2725 8.2725 8.7647 8.7647 9.2492 9.2492 9.2909 9.2909 10.5650 10.5650 11.1033 11.1033 11.4102 11.4102 k = 0.5000-0.0000-0.0000 ( 11838 PWs) bands (ev): -4.6723 -4.6723 -4.2487 -4.2487 -4.0474 -4.0474 -3.8957 -3.8957 -3.1173 -3.1173 -2.9673 -2.9673 -2.8695 -2.8695 -2.4898 -2.4898 1.3454 1.3454 1.5759 1.5759 1.7102 1.7102 1.7954 1.7954 1.9123 1.9123 2.3408 2.3408 2.3763 2.3763 2.4868 2.4868 2.6637 2.6637 2.7331 2.7331 2.8643 2.8643 3.1038 3.1038 3.1109 3.1109 3.2582 3.2582 3.3076 3.3076 3.4134 3.4134 3.4677 3.4677 3.6358 3.6358 3.7151 3.7151 3.7221 3.7221 3.8616 3.8616 4.0062 4.0062 4.0619 4.0619 4.1055 4.1055 4.1699 4.1699 4.4465 4.4465 4.9053 4.9053 5.2438 5.2438 5.2925 5.2925 5.5708 5.5708 6.0008 6.0008 6.2860 6.2860 6.4409 6.4409 6.5066 6.5066 6.9138 6.9138 7.0689 7.0689 7.2742 7.2742 7.3068 7.3068 7.7183 7.7183 7.9731 7.9731 8.2695 8.2695 8.7718 8.7718 9.2410 9.2410 9.2862 9.2862 10.5597 10.5597 11.1024 11.1024 11.4101 11.4101 k = 0.0000 0.0000 0.2668 ( 11840 PWs) bands (ev): -5.0143 -5.0143 -5.0143 -5.0143 -4.3638 -4.3638 -4.3638 -4.3638 -2.7395 -2.7395 -2.7395 -2.7395 -2.6139 -2.6139 -2.6139 -2.6139 1.6646 1.6646 1.6646 1.6646 2.0731 2.0731 2.0731 2.0731 2.3523 2.3523 2.3523 2.3523 2.6064 2.6064 2.6064 2.6064 2.9440 2.9440 2.9440 2.9440 3.1154 3.1154 3.1154 3.1154 3.3290 3.3290 3.3290 3.3290 3.5061 3.5061 3.5061 3.5061 3.6581 3.6581 3.6581 3.6581 3.7245 3.7245 3.7245 3.7245 4.0296 4.0296 4.0296 4.0296 4.3278 4.3278 4.3278 4.3278 4.6481 4.6481 4.6481 4.6481 4.9604 4.9604 4.9604 4.9604 5.3886 5.3886 5.3886 5.3886 6.0370 6.0370 6.0370 6.0370 6.7759 6.7759 6.7759 6.7759 7.1147 7.1147 7.1147 7.1147 7.5150 7.5150 7.5150 7.5150 8.5839 8.5839 8.5839 8.5839 9.4268 9.4268 9.4268 9.4268 9.5431 9.5431 9.5431 9.5431 10.8846 10.8846 10.8846 10.8846 11.6220 11.6220 k = 0.0139-0.0000 0.2668 ( 11834 PWs) bands (ev): -5.0135 -5.0135 -5.0135 -5.0135 -4.3633 -4.3633 -4.3631 -4.3631 -2.7397 -2.7397 -2.7396 -2.7396 -2.6142 -2.6142 -2.6142 -2.6142 1.6623 1.6623 1.6669 1.6669 2.0684 2.0684 2.0775 2.0775 2.3494 2.3494 2.3548 2.3548 2.6012 2.6012 2.6118 2.6118 2.9401 2.9401 2.9474 2.9474 3.1134 3.1134 3.1172 3.1172 3.3249 3.3249 3.3310 3.3310 3.5049 3.5049 3.5065 3.5065 3.6561 3.6561 3.6599 3.6599 3.7234 3.7234 3.7247 3.7247 4.0237 4.0237 4.0347 4.0347 4.3258 4.3258 4.3263 4.3263 4.6340 4.6340 4.6577 4.6577 4.9578 4.9578 4.9600 4.9600 5.3937 5.3937 5.4001 5.4001 6.0330 6.0330 6.0409 6.0409 6.7571 6.7571 6.7742 6.7742 7.1052 7.1052 7.1258 7.1258 7.5059 7.5059 7.5102 7.5102 8.5855 8.5855 8.5898 8.5898 9.4142 9.4142 9.4341 9.4341 9.5496 9.5496 9.5581 9.5581 10.8821 10.8821 10.8963 10.8963 11.6230 11.6233 k = 0.0278-0.0000 0.2668 ( 11828 PWs) bands (ev): -5.0110 -5.0110 -5.0109 -5.0109 -4.3617 -4.3617 -4.3614 -4.3614 -2.7401 -2.7401 -2.7398 -2.7398 -2.6150 -2.6150 -2.6149 -2.6149 1.6600 1.6600 1.6693 1.6693 2.0634 2.0634 2.0816 2.0816 2.3461 2.3461 2.3570 2.3570 2.5963 2.5963 2.6174 2.6174 2.9357 2.9357 2.9502 2.9502 3.1116 3.1116 3.1188 3.1188 3.3188 3.3188 3.3310 3.3310 3.5032 3.5032 3.5062 3.5062 3.6538 3.6538 3.6611 3.6611 3.7218 3.7218 3.7243 3.7243 4.0171 4.0171 4.0388 4.0388 4.3206 4.3206 4.3211 4.3211 4.6169 4.6169 4.6623 4.6623 4.9541 4.9541 4.9571 4.9571 5.4148 5.4148 5.4251 5.4251 6.0290 6.0290 6.0448 6.0448 6.7225 6.7225 6.7512 6.7512 7.0986 7.0986 7.1334 7.1334 7.4838 7.4838 7.4918 7.4918 8.5944 8.5944 8.6034 8.6034 9.4032 9.4032 9.4370 9.4370 9.5764 9.5764 9.5872 9.5872 10.8888 10.8888 10.9168 10.9168 11.6295 11.6296 k = 0.0417-0.0000 0.2668 ( 11832 PWs) bands (ev): -5.0069 -5.0069 -5.0067 -5.0067 -4.3590 -4.3590 -4.3586 -4.3586 -2.7408 -2.7408 -2.7403 -2.7403 -2.6162 -2.6162 -2.6162 -2.6162 1.6579 1.6579 1.6717 1.6717 2.0580 2.0580 2.0853 2.0853 2.3424 2.3424 2.3588 2.3588 2.5915 2.5915 2.6231 2.6231 2.9308 2.9308 2.9521 2.9521 3.1100 3.1100 3.1197 3.1197 3.3104 3.3104 3.3292 3.3292 3.5009 3.5009 3.5050 3.5050 3.6515 3.6515 3.6615 3.6615 3.7198 3.7198 3.7232 3.7232 4.0095 4.0095 4.0417 4.0417 4.3104 4.3104 4.3148 4.3148 4.5988 4.5988 4.6616 4.6616 4.9518 4.9518 4.9537 4.9537 5.4476 5.4476 5.4583 5.4583 6.0257 6.0257 6.0496 6.0496 6.6779 6.6779 6.7111 6.7111 7.0922 7.0922 7.1327 7.1327 7.4499 7.4499 7.4604 7.4604 8.6101 8.6101 8.6248 8.6248 9.3986 9.3986 9.4419 9.4419 9.6150 9.6150 9.6237 9.6237 10.9042 10.9042 10.9453 10.9453 11.6417 11.6418 k = 0.0556-0.0000 0.2668 ( 11838 PWs) bands (ev): -5.0011 -5.0011 -5.0008 -5.0008 -4.3552 -4.3552 -4.3547 -4.3547 -2.7416 -2.7416 -2.7411 -2.7411 -2.6180 -2.6180 -2.6179 -2.6179 1.6559 1.6559 1.6740 1.6740 2.0524 2.0524 2.0887 2.0887 2.3384 2.3384 2.3604 2.3604 2.5868 2.5868 2.6289 2.6289 2.9255 2.9255 2.9531 2.9531 3.1089 3.1089 3.1196 3.1196 3.3000 3.3000 3.3255 3.3255 3.4982 3.4982 3.5029 3.5029 3.6493 3.6493 3.6610 3.6610 3.7180 3.7180 3.7217 3.7217 4.0010 4.0010 4.0426 4.0426 4.2965 4.2965 4.3077 4.3077 4.5815 4.5815 4.6563 4.6563 4.9521 4.9521 4.9525 4.9525 5.4862 5.4862 5.4937 5.4937 6.0239 6.0239 6.0563 6.0563 6.6285 6.6285 6.6601 6.6601 7.0819 7.0819 7.1205 7.1205 7.4061 7.4061 7.4175 7.4175 8.6322 8.6322 8.6534 8.6534 9.4025 9.4025 9.4531 9.4531 9.6589 9.6589 9.6632 9.6632 10.9277 10.9277 10.9808 10.9808 11.6599 11.6599 k = 0.0694-0.0000 0.2668 ( 11826 PWs) bands (ev): -4.9936 -4.9936 -4.9933 -4.9933 -4.3504 -4.3504 -4.3497 -4.3497 -2.7428 -2.7428 -2.7421 -2.7421 -2.6203 -2.6203 -2.6202 -2.6202 1.6539 1.6539 1.6762 1.6762 2.0466 2.0466 2.0917 2.0917 2.3340 2.3340 2.3619 2.3619 2.5821 2.5821 2.6346 2.6346 2.9198 2.9198 2.9528 2.9528 3.1083 3.1083 3.1183 3.1183 3.2879 3.2879 3.3201 3.3201 3.4951 3.4951 3.4997 3.4997 3.6474 3.6474 3.6593 3.6593 3.7167 3.7167 3.7200 3.7200 3.9915 3.9915 4.0408 4.0408 4.2806 4.2806 4.3006 4.3006 4.5662 4.5662 4.6475 4.6475 4.9539 4.9539 4.9567 4.9567 5.5243 5.5243 5.5255 5.5255 6.0247 6.0247 6.0662 6.0662 6.5787 6.5787 6.6048 6.6048 7.0650 7.0650 7.0959 7.0959 7.3543 7.3543 7.3650 7.3650 8.6598 8.6598 8.6882 8.6882 9.4154 9.4154 9.4713 9.4713 9.7023 9.7023 9.7039 9.7039 10.9583 10.9583 11.0217 11.0217 11.6842 11.6842 k = 0.0833-0.0000 0.2668 ( 11820 PWs) bands (ev): -4.9845 -4.9845 -4.9842 -4.9842 -4.3445 -4.3445 -4.3437 -4.3437 -2.7442 -2.7442 -2.7433 -2.7433 -2.6232 -2.6232 -2.6230 -2.6230 1.6521 1.6521 1.6783 1.6783 2.0405 2.0405 2.0944 2.0944 2.3293 2.3293 2.3632 2.3632 2.5772 2.5772 2.6400 2.6400 2.9136 2.9136 2.9512 2.9512 3.1083 3.1083 3.1151 3.1151 3.2746 3.2746 3.3129 3.3129 3.4917 3.4917 3.4955 3.4955 3.6459 3.6459 3.6563 3.6563 3.7163 3.7163 3.7185 3.7185 3.9811 3.9811 4.0356 4.0356 4.2650 4.2650 4.2943 4.2943 4.5531 4.5531 4.6362 4.6362 4.9592 4.9592 4.9643 4.9643 5.5487 5.5487 5.5563 5.5563 6.0283 6.0283 6.0796 6.0796 6.5325 6.5325 6.5508 6.5508 7.0406 7.0406 7.0601 7.0601 7.2962 7.2962 7.3050 7.3050 8.6917 8.6917 8.7272 8.7272 9.4368 9.4368 9.4956 9.4956 9.7381 9.7381 9.7474 9.7474 10.9947 10.9947 11.0661 11.0661 11.7149 11.7153 k = 0.0972-0.0000 0.2668 ( 11828 PWs) bands (ev): -4.9739 -4.9739 -4.9734 -4.9734 -4.3376 -4.3376 -4.3366 -4.3366 -2.7459 -2.7459 -2.7450 -2.7450 -2.6266 -2.6266 -2.6264 -2.6264 1.6504 1.6504 1.6802 1.6802 2.0344 2.0344 2.0966 2.0966 2.3244 2.3244 2.3646 2.3646 2.5722 2.5722 2.6449 2.6449 2.9068 2.9068 2.9480 2.9480 3.1089 3.1089 3.1094 3.1094 3.2611 3.2611 3.3044 3.3044 3.4878 3.4878 3.4902 3.4902 3.6451 3.6451 3.6522 3.6522 3.7170 3.7170 3.7173 3.7173 3.9701 3.9701 4.0265 4.0265 4.2523 4.2523 4.2892 4.2892 4.5416 4.5416 4.6234 4.6234 4.9675 4.9675 4.9747 4.9747 5.5601 5.5601 5.5778 5.5778 6.0325 6.0325 6.0948 6.0948 6.4939 6.4939 6.5042 6.5042 7.0093 7.0093 7.0157 7.0157 7.2339 7.2339 7.2400 7.2400 8.7263 8.7263 8.7683 8.7683 9.4660 9.4660 9.5244 9.5244 9.7686 9.7686 9.7876 9.7876 11.0357 11.0357 11.1125 11.1125 11.7472 11.7472 k = 0.1111-0.0000 0.2668 ( 11818 PWs) bands (ev): -4.9617 -4.9617 -4.9612 -4.9612 -4.3297 -4.3297 -4.3286 -4.3286 -2.7481 -2.7481 -2.7469 -2.7469 -2.6306 -2.6306 -2.6303 -2.6303 1.6488 1.6488 1.6819 1.6819 2.0281 2.0281 2.0985 2.0985 2.3192 2.3192 2.3659 2.3659 2.5668 2.5668 2.6491 2.6491 2.8993 2.8993 2.9429 2.9429 3.1008 3.1008 3.1100 3.1100 3.2485 3.2485 3.2947 3.2947 3.4837 3.4837 3.4839 3.4839 3.6450 3.6450 3.6473 3.6473 3.7166 3.7166 3.7186 3.7186 3.9589 3.9589 4.0140 4.0140 4.2438 4.2438 4.2855 4.2855 4.5309 4.5309 4.6097 4.6097 4.9777 4.9777 4.9871 4.9871 5.5586 5.5586 5.5872 5.5872 6.0323 6.0323 6.1075 6.1075 6.4665 6.4665 6.4711 6.4711 6.9668 6.9668 6.9727 6.9727 7.1693 7.1693 7.1729 7.1729 8.7619 8.7619 8.8089 8.8089 9.5016 9.5016 9.5552 9.5552 9.7921 9.7921 9.8235 9.8235 11.0802 11.0802 11.1594 11.1594 11.7798 11.7798 k = 0.1250-0.0000 0.2668 ( 11808 PWs) bands (ev): -4.9479 -4.9479 -4.9474 -4.9474 -4.3209 -4.3209 -4.3196 -4.3196 -2.7505 -2.7505 -2.7493 -2.7493 -2.6351 -2.6351 -2.6349 -2.6349 1.6473 1.6473 1.6832 1.6832 2.0218 2.0218 2.0999 2.0999 2.3138 2.3138 2.3673 2.3673 2.5612 2.5612 2.6523 2.6523 2.8911 2.8911 2.9359 2.9359 3.0890 3.0890 3.1113 3.1113 3.2380 3.2380 3.2844 3.2844 3.4767 3.4767 3.4792 3.4792 3.6420 3.6420 3.6456 3.6456 3.7163 3.7163 3.7209 3.7209 3.9479 3.9479 3.9992 3.9992 4.2398 4.2398 4.2833 4.2833 4.5203 4.5203 4.5952 4.5952 4.9889 4.9889 5.0005 5.0005 5.5454 5.5454 5.5847 5.5847 6.0214 6.0214 6.1118 6.1118 6.4514 6.4514 6.4550 6.4550 6.9183 6.9183 6.9335 6.9335 7.1052 7.1052 7.1073 7.1073 8.7966 8.7966 8.8470 8.8470 9.5419 9.5419 9.5853 9.5853 9.8076 9.8076 9.8549 9.8549 11.1272 11.1272 11.2058 11.2058 11.8138 11.8138 k = 0.1389-0.0000 0.2668 ( 11810 PWs) bands (ev): -4.9328 -4.9328 -4.9321 -4.9321 -4.3112 -4.3112 -4.3097 -4.3097 -2.7535 -2.7535 -2.7521 -2.7521 -2.6403 -2.6403 -2.6400 -2.6400 1.6460 1.6460 1.6841 1.6841 2.0156 2.0156 2.1008 2.1008 2.3082 2.3082 2.3686 2.3686 2.5553 2.5553 2.6543 2.6543 2.8821 2.8821 2.9267 2.9267 3.0742 3.0742 3.1127 3.1127 3.2301 3.2301 3.2741 3.2741 3.4686 3.4686 3.4745 3.4745 3.6367 3.6367 3.6469 3.6469 3.7166 3.7166 3.7236 3.7236 3.9375 3.9375 3.9838 3.9838 4.2397 4.2397 4.2825 4.2825 4.5089 4.5089 4.5801 4.5801 4.9998 4.9998 5.0136 5.0136 5.5232 5.5232 5.5722 5.5722 5.9977 5.9977 6.1047 6.1047 6.4437 6.4437 6.4522 6.4522 6.8757 6.8757 6.8951 6.8951 7.0459 7.0459 7.0477 7.0477 8.8290 8.8290 8.8809 8.8809 9.5839 9.5839 9.6109 9.6109 9.8154 9.8154 9.8827 9.8827 11.1761 11.1761 11.2515 11.2515 11.8475 11.8475 k = 0.1528-0.0000 0.2668 ( 11812 PWs) bands (ev): -4.9162 -4.9162 -4.9155 -4.9155 -4.3006 -4.3006 -4.2990 -4.2990 -2.7569 -2.7569 -2.7554 -2.7554 -2.6460 -2.6460 -2.6458 -2.6458 1.6447 1.6447 1.6845 1.6845 2.0096 2.0096 2.1012 2.1012 2.3023 2.3023 2.3700 2.3700 2.5492 2.5492 2.6548 2.6548 2.8725 2.8725 2.9154 2.9154 3.0574 3.0574 3.1138 3.1138 3.2251 3.2251 3.2646 3.2646 3.4598 3.4598 3.4695 3.4695 3.6315 3.6315 3.6488 3.6488 3.7176 3.7176 3.7267 3.7267 3.9280 3.9280 3.9691 3.9691 4.2426 4.2426 4.2828 4.2828 4.4962 4.4962 4.5640 4.5640 5.0092 5.0092 5.0250 5.0250 5.4949 5.4949 5.5516 5.5516 5.9646 5.9646 6.0875 6.0875 6.4325 6.4325 6.4509 6.4509 6.8412 6.8412 6.8609 6.8609 7.0002 7.0002 7.0012 7.0012 8.8577 8.8577 8.9093 8.9093 9.6229 9.6229 9.6283 9.6283 9.8179 9.8179 9.9085 9.9085 11.2266 11.2266 11.2965 11.2965 11.8786 11.8787 k = 0.1667-0.0000 0.2668 ( 11810 PWs) bands (ev): -4.8982 -4.8982 -4.8975 -4.8975 -4.2892 -4.2892 -4.2875 -4.2875 -2.7608 -2.7608 -2.7591 -2.7591 -2.6524 -2.6524 -2.6521 -2.6521 1.6434 1.6434 1.6843 1.6843 2.0037 2.0037 2.1009 2.1009 2.2962 2.2962 2.3711 2.3711 2.5431 2.5431 2.6535 2.6535 2.8625 2.8625 2.9020 2.9020 3.0397 3.0397 3.1142 3.1142 3.2225 3.2225 3.2566 3.2566 3.4506 3.4506 3.4643 3.4643 3.6267 3.6267 3.6512 3.6512 3.7190 3.7190 3.7298 3.7298 3.9198 3.9198 3.9562 3.9562 4.2476 4.2476 4.2841 4.2841 4.4816 4.4816 4.5469 4.5469 5.0157 5.0157 5.0331 5.0331 5.4637 5.4637 5.5245 5.5245 5.9278 5.9278 6.0634 6.0634 6.4082 6.4082 6.4373 6.4373 6.8073 6.8073 6.8301 6.8301 6.9790 6.9790 6.9830 6.9830 8.8819 8.8819 8.9319 8.9319 9.6341 9.6341 9.6506 9.6506 9.8213 9.8213 9.9337 9.9337 11.2783 11.2783 11.3413 11.3413 11.9050 11.9050 k = 0.1806-0.0000 0.2668 ( 11822 PWs) bands (ev): -4.8790 -4.8790 -4.8782 -4.8782 -4.2771 -4.2771 -4.2752 -4.2752 -2.7652 -2.7652 -2.7635 -2.7635 -2.6595 -2.6595 -2.6592 -2.6592 1.6422 1.6422 1.6835 1.6835 1.9983 1.9983 2.0998 2.0998 2.2901 2.2901 2.3721 2.3721 2.5371 2.5371 2.6504 2.6504 2.8527 2.8527 2.8868 2.8868 3.0221 3.0221 3.1138 3.1138 3.2220 3.2220 3.2507 3.2507 3.4410 3.4410 3.4591 3.4591 3.6222 3.6222 3.6538 3.6538 3.7211 3.7211 3.7330 3.7330 3.9127 3.9127 3.9455 3.9455 4.2538 4.2538 4.2859 4.2859 4.4651 4.4651 4.5286 4.5286 5.0178 5.0178 5.0359 5.0359 5.4323 5.4323 5.4924 5.4924 5.8920 5.8920 6.0347 6.0347 6.3698 6.3698 6.4047 6.4047 6.7652 6.7652 6.7972 6.7972 6.9903 6.9903 7.0028 7.0028 8.9010 8.9010 8.9485 8.9485 9.6265 9.6265 9.6561 9.6561 9.8349 9.8349 9.9591 9.9591 11.3305 11.3305 11.3858 11.3858 11.9244 11.9244 k = 0.1944-0.0000 0.2668 ( 11828 PWs) bands (ev): -4.8586 -4.8586 -4.8577 -4.8577 -4.2643 -4.2643 -4.2623 -4.2623 -2.7702 -2.7702 -2.7684 -2.7684 -2.6671 -2.6671 -2.6668 -2.6668 1.6411 1.6411 1.6820 1.6820 1.9932 1.9932 2.0978 2.0978 2.2839 2.2839 2.3728 2.3728 2.5313 2.5313 2.6454 2.6454 2.8435 2.8435 2.8702 2.8702 3.0053 3.0053 3.1123 3.1123 3.2230 3.2230 3.2471 3.2471 3.4314 3.4314 3.4540 3.4540 3.6182 3.6182 3.6564 3.6564 3.7236 3.7236 3.7361 3.7361 3.9071 3.9071 3.9372 3.9372 4.2605 4.2605 4.2881 4.2881 4.4466 4.4466 4.5092 4.5092 5.0140 5.0140 5.0314 5.0314 5.4031 5.4031 5.4567 5.4567 5.8602 5.8602 6.0025 6.0025 6.3231 6.3231 6.3561 6.3561 6.7184 6.7184 6.7620 6.7620 7.0313 7.0313 7.0507 7.0507 8.9146 8.9146 8.9592 8.9592 9.6054 9.6054 9.6363 9.6363 9.8607 9.8607 9.9838 9.9838 11.3821 11.3821 11.4295 11.4295 11.9358 11.9358 k = 0.2083-0.0000 0.2668 ( 11840 PWs) bands (ev): -4.8371 -4.8371 -4.8362 -4.8362 -4.2509 -4.2509 -4.2488 -4.2488 -2.7758 -2.7758 -2.7739 -2.7739 -2.6754 -2.6754 -2.6751 -2.6751 1.6399 1.6399 1.6796 1.6796 1.9887 1.9887 2.0947 2.0947 2.2778 2.2778 2.3730 2.3730 2.5261 2.5261 2.6388 2.6388 2.8353 2.8353 2.8527 2.8527 2.9895 2.9895 3.1097 3.1097 3.2253 3.2253 3.2457 3.2457 3.4220 3.4220 3.4490 3.4490 3.6146 3.6146 3.6589 3.6589 3.7265 3.7265 3.7391 3.7391 3.9027 3.9027 3.9313 3.9313 4.2670 4.2670 4.2899 4.2899 4.4267 4.4267 4.4892 4.4892 5.0026 5.0026 5.0184 5.0184 5.3773 5.3773 5.4188 5.4188 5.8335 5.8335 5.9669 5.9669 6.2748 6.2748 6.2988 6.2988 6.6730 6.6730 6.7280 6.7280 7.0913 7.0913 7.1151 7.1151 8.9226 8.9226 8.9641 8.9641 9.5724 9.5724 9.5976 9.5976 9.8917 9.8917 10.0065 10.0065 11.4311 11.4311 11.4708 11.4708 11.9397 11.9397 k = 0.2222-0.0000 0.2668 ( 11832 PWs) bands (ev): -4.8145 -4.8145 -4.8136 -4.8136 -4.2370 -4.2370 -4.2348 -4.2348 -2.7820 -2.7820 -2.7801 -2.7801 -2.6843 -2.6843 -2.6841 -2.6841 1.6386 1.6386 1.6765 1.6765 1.9847 1.9847 2.0905 2.0905 2.2722 2.2722 2.3729 2.3729 2.5216 2.5216 2.6312 2.6312 2.8282 2.8282 2.8348 2.8348 2.9750 2.9750 3.1062 3.1062 3.2286 3.2286 3.2462 3.2462 3.4131 3.4131 3.4442 3.4442 3.6111 3.6111 3.6611 3.6611 3.7297 3.7297 3.7421 3.7421 3.8996 3.8996 3.9276 3.9276 4.2720 4.2720 4.2909 4.2909 4.4063 4.4063 4.4693 4.4693 4.9825 4.9825 4.9964 4.9964 5.3545 5.3545 5.3803 5.3803 5.8114 5.8114 5.9278 5.9278 6.2302 6.2302 6.2398 6.2398 6.6331 6.6331 6.6980 6.6980 7.1619 7.1619 7.1884 7.1884 8.9248 8.9248 8.9635 8.9635 9.5296 9.5296 9.5466 9.5466 9.9218 9.9218 10.0255 10.0255 11.4748 11.4748 11.5070 11.5070 11.9384 11.9384 k = 0.2361-0.0000 0.2668 ( 11846 PWs) bands (ev): -4.7911 -4.7911 -4.7901 -4.7901 -4.2227 -4.2227 -4.2204 -4.2204 -2.7889 -2.7889 -2.7870 -2.7870 -2.6938 -2.6938 -2.6936 -2.6936 1.6373 1.6373 1.6726 1.6726 1.9814 1.9814 2.0850 2.0850 2.2673 2.2673 2.3724 2.3724 2.5177 2.5177 2.6230 2.6230 2.8171 2.8171 2.8222 2.8222 2.9617 2.9617 3.1017 3.1017 3.2325 3.2325 3.2480 3.2480 3.4051 3.4051 3.4399 3.4399 3.6077 3.6077 3.6629 3.6629 3.7332 3.7332 3.7451 3.7451 3.8976 3.8976 3.9257 3.9257 4.2734 4.2734 4.2900 4.2900 4.3878 4.3878 4.4507 4.4507 4.9529 4.9529 4.9664 4.9664 5.3327 5.3327 5.3419 5.3419 5.7921 5.7921 5.8857 5.8857 6.1845 6.1845 6.1923 6.1923 6.6011 6.6011 6.6734 6.6734 7.2380 7.2380 7.2661 7.2661 8.9210 8.9210 8.9575 8.9575 9.4792 9.4792 9.4873 9.4873 9.9477 9.9477 10.0399 10.0399 11.5095 11.5095 11.5346 11.5346 11.9358 11.9358 k = 0.2500-0.0000 0.2668 ( 11842 PWs) bands (ev): -4.7668 -4.7668 -4.7658 -4.7658 -4.2081 -4.2081 -4.2057 -4.2057 -2.7964 -2.7964 -2.7945 -2.7945 -2.7038 -2.7038 -2.7036 -2.7036 1.6359 1.6359 1.6679 1.6679 1.9788 1.9788 2.0782 2.0782 2.2632 2.2632 2.3717 2.3717 2.5146 2.5146 2.6150 2.6150 2.8002 2.8002 2.8168 2.8168 2.9499 2.9499 3.0965 3.0965 3.2368 3.2368 3.2505 3.2505 3.3984 3.3984 3.4362 3.4362 3.6043 3.6043 3.6640 3.6640 3.7369 3.7369 3.7483 3.7483 3.8967 3.8967 3.9254 3.9254 4.2681 4.2681 4.2860 4.2860 4.3743 4.3743 4.4350 4.4350 4.9146 4.9146 4.9301 4.9301 5.3036 5.3036 5.3088 5.3088 5.7735 5.7735 5.8426 5.8426 6.1374 6.1374 6.1621 6.1621 6.5787 6.5787 6.6555 6.6555 7.3162 7.3162 7.3452 7.3452 8.9111 8.9111 8.9462 8.9462 9.4226 9.4226 9.4236 9.4236 9.9678 9.9678 10.0489 10.0489 11.5314 11.5314 11.5498 11.5498 11.9359 11.9359 k = 0.2639-0.0000 0.2668 ( 11844 PWs) bands (ev): -4.7420 -4.7420 -4.7408 -4.7408 -4.1932 -4.1932 -4.1908 -4.1908 -2.8045 -2.8045 -2.8027 -2.8027 -2.7142 -2.7142 -2.7142 -2.7142 1.6343 1.6343 1.6625 1.6625 1.9770 1.9770 2.0704 2.0704 2.2602 2.2602 2.3707 2.3707 2.5120 2.5120 2.6075 2.6075 2.7843 2.7843 2.8116 2.8116 2.9396 2.9396 3.0905 3.0905 3.2411 3.2411 3.2532 3.2532 3.3934 3.3934 3.4331 3.4331 3.6005 3.6005 3.6644 3.6644 3.7407 3.7407 3.7517 3.7517 3.8967 3.8967 3.9264 3.9264 4.2541 4.2541 4.2779 4.2779 4.3685 4.3685 4.4237 4.4237 4.8688 4.8688 4.8895 4.8895 5.2640 5.2640 5.2795 5.2795 5.7533 5.7533 5.8011 5.8011 6.1016 6.1016 6.1391 6.1391 6.5670 6.5670 6.6450 6.6450 7.3942 7.3942 7.4239 7.4239 8.8948 8.8948 8.9295 8.9295 9.3550 9.3550 9.3651 9.3651 9.9815 9.9815 10.0523 10.0523 11.5382 11.5382 11.5501 11.5501 11.9418 11.9418 k = 0.2778-0.0000 0.2668 ( 11844 PWs) bands (ev): -4.7166 -4.7166 -4.7154 -4.7154 -4.1783 -4.1783 -4.1757 -4.1757 -2.8133 -2.8133 -2.8115 -2.8115 -2.7251 -2.7251 -2.7250 -2.7250 1.6326 1.6326 1.6566 1.6566 1.9760 1.9760 2.0619 2.0619 2.2584 2.2584 2.3696 2.3696 2.5100 2.5100 2.6011 2.6011 2.7698 2.7698 2.8060 2.8060 2.9311 2.9311 3.0839 3.0839 3.2452 3.2452 3.2555 3.2555 3.3903 3.3903 3.4310 3.4310 3.5963 3.5963 3.6638 3.6638 3.7445 3.7445 3.7556 3.7556 3.8975 3.8975 3.9284 3.9284 4.2327 4.2327 4.2653 4.2653 4.3692 4.3692 4.4176 4.4176 4.8178 4.8178 4.8465 4.8465 5.2216 5.2216 5.2426 5.2426 5.7305 5.7305 5.7629 5.7629 6.0789 6.0789 6.1231 6.1231 6.5661 6.5661 6.6424 6.6424 7.4704 7.4704 7.5003 7.5003 8.8720 8.8720 8.9072 8.9072 9.2871 9.2871 9.3060 9.3060 9.9888 9.9888 10.0500 10.0500 11.5305 11.5305 11.5362 11.5362 11.9536 11.9537 k = 0.2917-0.0000 0.2668 ( 11850 PWs) bands (ev): -4.6908 -4.6908 -4.6896 -4.6896 -4.1634 -4.1634 -4.1608 -4.1608 -2.8226 -2.8226 -2.8210 -2.8210 -2.7363 -2.7363 -2.7362 -2.7362 1.6307 1.6307 1.6504 1.6504 1.9757 1.9757 2.0530 2.0530 2.2576 2.2576 2.3684 2.3684 2.5083 2.5083 2.5957 2.5957 2.7570 2.7570 2.7996 2.7996 2.9247 2.9247 3.0767 3.0767 3.2488 3.2488 3.2573 3.2573 3.3894 3.3894 3.4299 3.4299 3.5914 3.5914 3.6620 3.6620 3.7483 3.7483 3.7600 3.7600 3.8992 3.8992 3.9312 3.9312 4.2070 4.2070 4.2492 4.2492 4.3736 4.3736 4.4163 4.4163 4.7636 4.7636 4.8028 4.8028 5.1752 5.1752 5.1975 5.1975 5.7050 5.7050 5.7283 5.7283 6.0690 6.0690 6.1140 6.1140 6.5757 6.5757 6.6478 6.6478 7.5430 7.5430 7.5730 7.5730 8.8423 8.8423 8.8787 8.8787 9.2216 9.2216 9.2489 9.2489 9.9896 9.9896 10.0424 10.0424 11.5109 11.5109 11.5114 11.5114 11.9694 11.9694 k = 0.3056-0.0000 0.2668 ( 11846 PWs) bands (ev): -4.6649 -4.6649 -4.6637 -4.6637 -4.1486 -4.1486 -4.1459 -4.1459 -2.8326 -2.8326 -2.8310 -2.8310 -2.7478 -2.7478 -2.7475 -2.7475 1.6287 1.6287 1.6440 1.6440 1.9763 1.9763 2.0443 2.0443 2.2577 2.2577 2.3672 2.3672 2.5068 2.5068 2.5913 2.5913 2.7460 2.7460 2.7922 2.7922 2.9205 2.9205 3.0691 3.0691 3.2516 3.2516 3.2583 3.2583 3.3907 3.3907 3.4301 3.4301 3.5858 3.5858 3.6589 3.6589 3.7520 3.7520 3.7649 3.7649 3.9018 3.9018 3.9345 3.9345 4.1798 4.1798 4.2310 4.2310 4.3793 4.3793 4.4183 4.4183 4.7083 4.7083 4.7600 4.7600 5.1245 5.1245 5.1450 5.1450 5.6777 5.6777 5.6964 5.6964 6.0704 6.0704 6.1122 6.1122 6.5948 6.5948 6.6613 6.6613 7.6107 7.6107 7.6404 7.6404 8.8057 8.8057 8.8432 8.8432 9.1616 9.1616 9.1960 9.1960 9.9843 9.9843 10.0295 10.0295 11.4795 11.4795 11.4834 11.4834 11.9865 11.9865 k = 0.3194-0.0000 0.2668 ( 11852 PWs) bands (ev): -4.6391 -4.6391 -4.6378 -4.6378 -4.1340 -4.1340 -4.1314 -4.1314 -2.8430 -2.8430 -2.8416 -2.8416 -2.7593 -2.7593 -2.7588 -2.7588 1.6266 1.6266 1.6375 1.6375 1.9776 1.9776 2.0361 2.0361 2.2585 2.2585 2.3657 2.3657 2.5054 2.5054 2.5877 2.5877 2.7368 2.7368 2.7840 2.7840 2.9186 2.9186 3.0611 3.0611 3.2535 3.2535 3.2585 3.2585 3.3939 3.3939 3.4314 3.4314 3.5792 3.5792 3.6542 3.6542 3.7557 3.7557 3.7704 3.7704 3.9051 3.9051 3.9382 3.9382 4.1526 4.1526 4.2123 4.2123 4.3843 4.3843 4.4220 4.4220 4.6539 4.6539 4.7196 4.7196 5.0702 5.0702 5.0869 5.0869 5.6491 5.6491 5.6656 5.6656 6.0816 6.0816 6.1183 6.1183 6.6220 6.6220 6.6821 6.6821 7.6720 7.6720 7.7012 7.7012 8.7624 8.7624 8.8002 8.8002 9.1100 9.1100 9.1495 9.1495 9.9732 9.9732 10.0118 10.0118 11.4438 11.4438 11.4511 11.4511 12.0030 12.0031 k = 0.3333-0.0000 0.2668 ( 11842 PWs) bands (ev): -4.6135 -4.6135 -4.6122 -4.6122 -4.1199 -4.1199 -4.1173 -4.1173 -2.8539 -2.8539 -2.8526 -2.8526 -2.7707 -2.7707 -2.7701 -2.7701 1.6243 1.6243 1.6313 1.6313 1.9797 1.9797 2.0288 2.0288 2.2598 2.2598 2.3637 2.3637 2.5043 2.5043 2.5845 2.5845 2.7295 2.7295 2.7754 2.7754 2.9187 2.9187 3.0531 3.0531 3.2543 3.2543 3.2583 3.2583 3.3987 3.3987 3.4341 3.4341 3.5717 3.5717 3.6477 3.6477 3.7592 3.7592 3.7764 3.7764 3.9095 3.9095 3.9421 3.9421 4.1269 4.1269 4.1943 4.1943 4.3871 4.3871 4.4256 4.4256 4.6023 4.6023 4.6832 4.6832 5.0134 5.0134 5.0255 5.0255 5.6196 5.6196 5.6345 5.6345 6.1006 6.1006 6.1321 6.1321 6.6559 6.6559 6.7095 6.7095 7.7254 7.7254 7.7536 7.7536 8.7136 8.7136 8.7499 8.7499 9.0695 9.0695 9.1110 9.1110 9.9565 9.9565 9.9895 9.9895 11.4069 11.4069 11.4166 11.4166 12.0180 12.0180 k = 0.3472-0.0000 0.2668 ( 11854 PWs) bands (ev): -4.5883 -4.5883 -4.5870 -4.5870 -4.1063 -4.1063 -4.1037 -4.1037 -2.8650 -2.8650 -2.8639 -2.8639 -2.7818 -2.7818 -2.7811 -2.7811 1.6220 1.6220 1.6255 1.6255 1.9824 1.9824 2.0228 2.0228 2.2614 2.2614 2.3609 2.3609 2.5035 2.5035 2.5814 2.5814 2.7238 2.7238 2.7669 2.7669 2.9205 2.9205 3.0453 3.0453 3.2540 3.2540 3.2577 3.2577 3.4048 3.4048 3.4379 3.4379 3.5632 3.5632 3.6392 3.6392 3.7626 3.7626 3.7827 3.7827 3.9149 3.9149 3.9459 3.9459 4.1036 4.1036 4.1778 4.1778 4.3860 4.3860 4.4261 4.4261 4.5566 4.5566 4.6522 4.6522 4.9558 4.9558 4.9631 4.9631 5.5894 5.5894 5.6025 5.6025 6.1261 6.1261 6.1530 6.1530 6.6950 6.6950 6.7424 6.7424 7.7692 7.7692 7.7961 7.7961 8.6606 8.6606 8.6937 8.6937 9.0412 9.0412 9.0819 9.0819 9.9347 9.9347 9.9628 9.9628 11.3704 11.3704 11.3817 11.3817 12.0310 12.0310 k = 0.3611-0.0000 0.2668 ( 11850 PWs) bands (ev): -4.5639 -4.5639 -4.5626 -4.5626 -4.0934 -4.0934 -4.0908 -4.0908 -2.8763 -2.8763 -2.8754 -2.8754 -2.7926 -2.7926 -2.7918 -2.7918 1.6197 1.6197 1.6202 1.6202 1.9858 1.9858 2.0181 2.0181 2.2631 2.2631 2.3571 2.3571 2.5031 2.5031 2.5778 2.5778 2.7198 2.7198 2.7593 2.7593 2.9239 2.9239 3.0379 3.0379 3.2529 3.2529 3.2570 3.2570 3.4117 3.4117 3.4425 3.4425 3.5540 3.5540 3.6288 3.6288 3.7658 3.7658 3.7890 3.7890 3.9213 3.9213 3.9496 3.9496 4.0836 4.0836 4.1633 4.1633 4.3798 4.3798 4.4183 4.4183 4.5218 4.5218 4.6278 4.6278 4.8995 4.8995 4.9015 4.9015 5.5588 5.5588 5.5697 5.5697 6.1568 6.1568 6.1800 6.1800 6.7379 6.7379 6.7797 6.7797 7.8022 7.8022 7.8274 7.8274 8.6052 8.6052 8.6339 8.6339 9.0255 9.0255 9.0630 9.0630 9.9079 9.9079 9.9321 9.9321 11.3356 11.3356 11.3478 11.3478 12.0422 12.0422 k = 0.3750-0.0000 0.2668 ( 11850 PWs) bands (ev): -4.5405 -4.5405 -4.5392 -4.5392 -4.0813 -4.0813 -4.0788 -4.0788 -2.8875 -2.8875 -2.8868 -2.8868 -2.8029 -2.8029 -2.8020 -2.8020 1.6155 1.6155 1.6174 1.6174 1.9898 1.9898 2.0149 2.0149 2.2647 2.2647 2.3520 2.3520 2.5032 2.5032 2.5735 2.5735 2.7173 2.7173 2.7529 2.7529 2.9286 2.9286 3.0312 3.0312 3.2512 3.2512 3.2564 3.2564 3.4188 3.4188 3.4477 3.4477 3.5443 3.5443 3.6164 3.6164 3.7689 3.7689 3.7950 3.7950 3.9288 3.9288 3.9528 3.9528 4.0678 4.0678 4.1510 4.1510 4.3681 4.3681 4.3974 4.3974 4.5021 4.5021 4.6096 4.6096 4.8432 4.8432 4.8463 4.8463 5.5280 5.5280 5.5364 5.5364 6.1914 6.1914 6.2116 6.2116 6.7833 6.7833 6.8200 6.8200 7.8234 7.8234 7.8467 7.8467 8.5492 8.5492 8.5729 8.5729 9.0222 9.0222 9.0550 9.0550 9.8766 9.8766 9.8974 9.8974 11.3033 11.3033 11.3157 11.3157 12.0518 12.0523 k = 0.3889-0.0000 0.2668 ( 11856 PWs) bands (ev): -4.5183 -4.5183 -4.5172 -4.5172 -4.0701 -4.0701 -4.0678 -4.0678 -2.8985 -2.8985 -2.8979 -2.8979 -2.8125 -2.8125 -2.8116 -2.8116 1.6115 1.6115 1.6152 1.6152 1.9942 1.9942 2.0132 2.0132 2.2661 2.2661 2.3455 2.3455 2.5039 2.5039 2.5682 2.5682 2.7161 2.7161 2.7482 2.7482 2.9342 2.9342 3.0252 3.0252 3.2491 3.2491 3.2560 3.2560 3.4258 3.4258 3.4531 3.4531 3.5346 3.5346 3.6025 3.6025 3.7719 3.7719 3.8001 3.8001 3.9373 3.9373 3.9554 3.9554 4.0571 4.0571 4.1412 4.1412 4.3516 4.3516 4.3670 4.3670 4.4928 4.4928 4.5950 4.5950 4.7908 4.7908 4.7988 4.7988 5.4974 5.4974 5.5033 5.5033 6.2287 6.2287 6.2465 6.2465 6.8298 6.8298 6.8620 6.8620 7.8331 7.8331 7.8543 7.8543 8.4942 8.4942 8.5127 8.5127 9.0308 9.0308 9.0579 9.0579 9.8410 9.8410 9.8592 9.8592 11.2742 11.2742 11.2863 11.2863 12.0601 12.0602 k = 0.4028-0.0000 0.2668 ( 11872 PWs) bands (ev): -4.4978 -4.4978 -4.4967 -4.4967 -4.0600 -4.0600 -4.0578 -4.0578 -2.9090 -2.9090 -2.9085 -2.9085 -2.8213 -2.8213 -2.8204 -2.8204 1.6083 1.6083 1.6131 1.6131 1.9990 1.9990 2.0128 2.0128 2.2673 2.2673 2.3378 2.3378 2.5050 2.5050 2.5619 2.5619 2.7161 2.7161 2.7450 2.7450 2.9407 2.9407 3.0200 3.0200 3.2470 3.2470 3.2557 3.2557 3.4320 3.4320 3.4583 3.4583 3.5254 3.5254 3.5875 3.5875 3.7746 3.7746 3.8037 3.8037 3.9464 3.9464 3.9576 3.9576 4.0518 4.0518 4.1338 4.1338 4.3320 4.3320 4.3344 4.3344 4.4851 4.4851 4.5795 4.5795 4.7482 4.7482 4.7594 4.7594 5.4678 5.4678 5.4713 5.4713 6.2674 6.2674 6.2832 6.2832 6.8761 6.8761 6.9043 6.9043 7.8322 7.8322 7.8513 7.8513 8.4412 8.4412 8.4548 8.4548 9.0502 9.0502 9.0715 9.0715 9.8017 9.8017 9.8177 9.8177 11.2485 11.2485 11.2599 11.2599 12.0673 12.0677 k = 0.4167-0.0000 0.2668 ( 11876 PWs) bands (ev): -4.4791 -4.4791 -4.4781 -4.4781 -4.0510 -4.0510 -4.0490 -4.0490 -2.9187 -2.9187 -2.9184 -2.9184 -2.8293 -2.8293 -2.8283 -2.8283 1.6058 1.6058 1.6112 1.6112 2.0039 2.0039 2.0136 2.0136 2.2682 2.2682 2.3291 2.3291 2.5065 2.5065 2.5551 2.5551 2.7172 2.7172 2.7431 2.7431 2.9478 2.9478 3.0155 3.0155 3.2453 3.2453 3.2557 3.2557 3.4369 3.4369 3.4626 3.4626 3.5176 3.5176 3.5720 3.5720 3.7771 3.7771 3.8057 3.8057 3.9557 3.9557 3.9598 3.9598 4.0520 4.0520 4.1289 4.1289 4.3035 4.3035 4.3111 4.3111 4.4741 4.4741 4.5579 4.5579 4.7192 4.7192 4.7301 4.7301 5.4396 5.4396 5.4411 5.4411 6.3062 6.3062 6.3201 6.3201 6.9207 6.9207 6.9452 6.9452 7.8230 7.8230 7.8401 7.8401 8.3912 8.3912 8.4005 8.4005 9.0789 9.0789 9.0947 9.0947 9.7592 9.7592 9.7733 9.7733 11.2266 11.2266 11.2368 11.2368 12.0736 12.0749 k = 0.4306-0.0000 0.2668 ( 11876 PWs) bands (ev): -4.4626 -4.4626 -4.4617 -4.4617 -4.0432 -4.0432 -4.0415 -4.0415 -2.9275 -2.9275 -2.9272 -2.9272 -2.8362 -2.8362 -2.8353 -2.8353 1.6039 1.6039 1.6094 1.6094 2.0088 2.0088 2.0152 2.0152 2.2689 2.2689 2.3198 2.3198 2.5082 2.5082 2.5479 2.5479 2.7192 2.7192 2.7421 2.7421 2.9553 2.9553 3.0115 3.0115 3.2441 3.2441 3.2557 3.2557 3.4401 3.4401 3.4657 3.4657 3.5120 3.5120 3.5570 3.5570 3.7795 3.7795 3.8057 3.8057 3.9625 3.9625 3.9647 3.9647 4.0569 4.0569 4.1264 4.1264 4.2760 4.2760 4.2902 4.2902 4.4583 4.4583 4.5288 4.5288 4.7042 4.7042 4.7117 4.7117 5.4137 5.4137 5.4137 5.4137 6.3435 6.3435 6.3555 6.3555 6.9622 6.9622 6.9833 6.9833 7.8084 7.8084 7.8236 7.8236 8.3451 8.3451 8.3508 8.3508 9.1150 9.1150 9.1259 9.1259 9.7144 9.7144 9.7269 9.7269 11.2084 11.2084 11.2172 11.2172 12.0791 12.0798 k = 0.4444-0.0000 0.2668 ( 11864 PWs) bands (ev): -4.4486 -4.4486 -4.4479 -4.4479 -4.0367 -4.0367 -4.0353 -4.0353 -2.9350 -2.9350 -2.9348 -2.9348 -2.8419 -2.8419 -2.8412 -2.8412 1.6028 1.6028 1.6077 1.6077 2.0133 2.0133 2.0174 2.0174 2.2697 2.2697 2.3103 2.3103 2.5100 2.5100 2.5410 2.5410 2.7219 2.7219 2.7414 2.7414 2.9630 2.9630 3.0079 3.0079 3.2438 3.2438 3.2556 3.2556 3.4416 3.4416 3.4667 3.4667 3.5092 3.5092 3.5435 3.5435 3.7817 3.7817 3.8042 3.8042 3.9659 3.9659 3.9724 3.9724 4.0657 4.0657 4.1259 4.1259 4.2527 4.2527 4.2706 4.2706 4.4394 4.4394 4.4959 4.4959 4.6990 4.6990 4.7025 4.7025 5.3898 5.3898 5.3908 5.3908 6.3777 6.3777 6.3877 6.3877 6.9993 6.9993 7.0168 7.0168 7.7919 7.7919 7.8049 7.8049 8.3040 8.3040 8.3071 8.3071 9.1560 9.1560 9.1626 9.1626 9.6685 9.6685 9.6793 9.6793 11.1938 11.1938 11.2011 11.2011 12.0835 12.0866 k = 0.4583-0.0000 0.2668 ( 11860 PWs) bands (ev): -4.4374 -4.4374 -4.4368 -4.4368 -4.0316 -4.0316 -4.0305 -4.0305 -2.9411 -2.9411 -2.9410 -2.9410 -2.8465 -2.8465 -2.8459 -2.8459 1.6021 1.6021 1.6062 1.6062 2.0173 2.0173 2.0197 2.0197 2.2709 2.2709 2.3012 2.3012 2.5121 2.5121 2.5346 2.5346 2.7251 2.7251 2.7406 2.7406 2.9706 2.9706 3.0042 3.0042 3.2444 3.2444 3.2552 3.2552 3.4421 3.4421 3.4651 3.4651 3.5088 3.5088 3.5324 3.5324 3.7839 3.7839 3.8015 3.8015 3.9701 3.9701 3.9783 3.9783 4.0775 4.0775 4.1267 4.1267 4.2341 4.2341 4.2527 4.2527 4.4211 4.4211 4.4638 4.4638 4.6987 4.6987 4.6994 4.6994 5.3703 5.3703 5.3717 5.3717 6.4071 6.4071 6.4150 6.4150 7.0304 7.0304 7.0441 7.0441 7.7763 7.7763 7.7868 7.7868 8.2694 8.2694 8.2707 8.2707 9.1989 9.1989 9.2022 9.2022 9.6232 9.6232 9.6324 9.6324 11.1829 11.1829 11.1884 11.1884 12.0870 12.0895 k = 0.4722-0.0000 0.2668 ( 11868 PWs) bands (ev): -4.4292 -4.4292 -4.4288 -4.4288 -4.0279 -4.0279 -4.0271 -4.0271 -2.9456 -2.9456 -2.9455 -2.9455 -2.8498 -2.8498 -2.8494 -2.8494 1.6020 1.6020 1.6049 1.6049 2.0204 2.0204 2.0217 2.0217 2.2728 2.2728 2.2928 2.2928 2.5143 2.5143 2.5290 2.5290 2.7286 2.7286 2.7394 2.7394 2.9779 2.9779 3.0003 3.0003 3.2458 3.2458 3.2541 3.2541 3.4431 3.4431 3.4610 3.4610 3.5101 3.5101 3.5245 3.5245 3.7862 3.7862 3.7982 3.7982 3.9744 3.9744 3.9817 3.9817 4.0909 4.0909 4.1270 4.1270 4.2211 4.2211 4.2371 4.2371 4.4071 4.4071 4.4361 4.4361 4.6995 4.6995 4.7001 4.7001 5.3560 5.3560 5.3572 5.3572 6.4301 6.4301 6.4356 6.4356 7.0543 7.0543 7.0638 7.0638 7.7643 7.7643 7.7718 7.7718 8.2429 8.2429 8.2432 8.2432 9.2394 9.2394 9.2404 9.2404 9.5821 9.5821 9.5892 9.5892 11.1755 11.1755 11.1792 11.1792 12.0898 12.0912 k = 0.4861-0.0000 0.2668 ( 11878 PWs) bands (ev): -4.4241 -4.4241 -4.4239 -4.4239 -4.0256 -4.0256 -4.0252 -4.0252 -2.9484 -2.9484 -2.9483 -2.9483 -2.8517 -2.8517 -2.8515 -2.8515 1.6023 1.6023 1.6038 1.6038 2.0225 2.0225 2.0230 2.0230 2.2757 2.2757 2.2857 2.2857 2.5170 2.5170 2.5242 2.5242 2.7320 2.7320 2.7375 2.7375 2.9846 2.9846 2.9958 2.9958 3.2479 3.2479 3.2524 3.2524 3.4456 3.4456 3.4554 3.4554 3.5124 3.5124 3.5191 3.5191 3.7887 3.7887 3.7948 3.7948 3.9783 3.9783 3.9826 3.9826 4.1046 4.1046 4.1242 4.1242 4.2150 4.2150 4.2247 4.2247 4.4005 4.4005 4.4152 4.4152 4.7007 4.7007 4.7013 4.7013 5.3473 5.3473 5.3480 5.3480 6.4452 6.4452 6.4480 6.4480 7.0700 7.0700 7.0749 7.0749 7.7574 7.7574 7.7613 7.7613 8.2260 8.2260 8.2261 8.2261 9.2706 9.2706 9.2707 9.2707 9.5515 9.5515 9.5555 9.5555 11.1715 11.1715 11.1733 11.1734 12.0919 12.0928 k = 0.5000-0.0000 0.2668 ( 11880 PWs) bands (ev): -4.4223 -4.4223 -4.4223 -4.4223 -4.0246 -4.0246 -4.0246 -4.0246 -2.9493 -2.9493 -2.9493 -2.9493 -2.8523 -2.8523 -2.8523 -2.8523 1.6029 1.6029 1.6029 1.6029 2.0233 2.0233 2.0233 2.0233 2.2800 2.2800 2.2800 2.2800 2.5202 2.5202 2.5202 2.5202 2.7350 2.7350 2.7350 2.7350 2.9906 2.9906 2.9906 2.9906 3.2502 3.2502 3.2502 3.2502 3.4498 3.4498 3.4498 3.4498 3.5153 3.5153 3.5153 3.5153 3.7916 3.7916 3.7916 3.7916 3.9813 3.9813 3.9813 3.9813 4.1165 4.1165 4.1165 4.1165 4.2167 4.2167 4.2167 4.2167 4.4031 4.4031 4.4031 4.4031 4.7015 4.7015 4.7015 4.7015 5.3446 5.3446 5.3446 5.3446 6.4513 6.4513 6.4513 6.4513 7.0770 7.0770 7.0770 7.0770 7.7563 7.7563 7.7563 7.7563 8.2202 8.2202 8.2202 8.2202 9.2829 9.2829 9.2829 9.2829 9.5408 9.5408 9.5408 9.5408 11.1708 11.1708 11.1708 11.1708 12.0928 12.0928 Writing output data file AgTe4Au.save init_run : 1.27s CPU 1.64s WALL ( 1 calls) electrons : 982.22s CPU 997.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 982.21s CPU 997.22s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.45s CPU 0.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.31s CPU 0.36s WALL ( 227 calls) cegterg : 923.09s CPU 936.65s WALL ( 595 calls) Called by sum_band: Called by *egterg: h_psi : 515.41s CPU 520.07s WALL ( 10573 calls) s_psi : 66.66s CPU 66.62s WALL ( 10573 calls) g_psi : 1.44s CPU 1.43s WALL ( 9751 calls) cdiaghg : 243.94s CPU 247.31s WALL ( 9978 calls) cegterg:over : 53.69s CPU 54.02s WALL ( 9751 calls) cegterg:upda : 48.39s CPU 48.26s WALL ( 9751 calls) cegterg:last : 24.59s CPU 24.76s WALL ( 1276 calls) cdiaghg:chol : 14.97s CPU 15.14s WALL ( 9978 calls) cdiaghg:inve : 11.82s CPU 11.82s WALL ( 9978 calls) cdiaghg:para : 20.74s CPU 21.17s WALL ( 19956 calls) Called by h_psi: h_psi:vloc : 394.57s CPU 398.33s WALL ( 10573 calls) h_psi:vnl : 118.68s CPU 119.65s WALL ( 10573 calls) add_vuspsi : 62.50s CPU 63.11s WALL ( 10573 calls) General routines calbec : 56.14s CPU 56.50s WALL ( 10573 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 357.82s CPU 361.23s WALL ( 1697660 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.44s WALL ( 454 calls) Parallel routines fft_scatter : 113.98s CPU 116.32s WALL ( 1697683 calls) PWSCF : 17m 7.88s CPU 17m42.85s WALL This run was terminated on: 19:28: 2 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=