Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:29:56 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./H4CN.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 68 38 11 3356 1408 215 Max 69 39 12 3361 1428 220 Sum 2475 1391 397 120925 51079 7869 bravais-lattice index = 14 lattice parameter (alat) = 9.8493 a.u. unit-cell volume = 1211.1722 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.849252 celldm(2)= 0.978511 celldm(3)= 1.393323 celldm(4)= 0.368125 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 0.978511 0.000000 ) a(3) = ( 0.000000 0.512916 1.295479 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.021961 -0.404623 ) b(3) = ( 0.000000 0.000000 0.771915 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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 =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.2564582 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6477395 ) 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 =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.2564582 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6477395 ) 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= 256 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0000000 0.0160816), wk = 0.0039062 k( 3) = ( 0.0000000 0.0000000 0.0321631), wk = 0.0039062 k( 4) = ( 0.0000000 0.0000000 0.0482447), wk = 0.0039062 k( 5) = ( 0.0000000 0.0000000 0.0643263), wk = 0.0039062 k( 6) = ( 0.0000000 0.0000000 0.0804078), wk = 0.0039062 k( 7) = ( 0.0000000 0.0000000 0.0964894), wk = 0.0039062 k( 8) = ( 0.0000000 0.0000000 0.1125710), wk = 0.0039062 k( 9) = ( 0.0000000 0.0000000 0.1286525), wk = 0.0039062 k( 10) = ( 0.0000000 0.0000000 0.1447341), wk = 0.0039062 k( 11) = ( 0.0000000 0.0000000 0.1608157), wk = 0.0039062 k( 12) = ( 0.0000000 0.0000000 0.1768972), wk = 0.0039062 k( 13) = ( 0.0000000 0.0000000 0.1929788), wk = 0.0039062 k( 14) = ( 0.0000000 0.0000000 0.2090604), wk = 0.0039062 k( 15) = ( 0.0000000 0.0000000 0.2251419), wk = 0.0039062 k( 16) = ( 0.0000000 0.0000000 0.2412235), wk = 0.0039062 k( 17) = ( 0.0000000 0.0000000 0.2573051), wk = 0.0039062 k( 18) = ( 0.0000000 0.0000000 0.2733866), wk = 0.0039062 k( 19) = ( 0.0000000 0.0000000 0.2894682), wk = 0.0039062 k( 20) = ( 0.0000000 0.0000000 0.3055498), wk = 0.0039062 k( 21) = ( 0.0000000 0.0000000 0.3216313), wk = 0.0039062 k( 22) = ( 0.0000000 0.0000000 0.3377129), wk = 0.0039062 k( 23) = ( 0.0000000 0.0000000 0.3537945), wk = 0.0039062 k( 24) = ( 0.0000000 0.0000000 0.3698760), wk = 0.0039062 k( 25) = ( 0.0000000 0.0000000 0.3859576), wk = 0.0039062 k( 26) = ( 0.0000000 0.0000000 0.3859576), wk = 0.0039062 k( 27) = ( 0.0000000 0.0162322 0.3859576), wk = 0.0039062 k( 28) = ( 0.0000000 0.0324644 0.3859576), wk = 0.0039062 k( 29) = ( 0.0000000 0.0486966 0.3859576), wk = 0.0039062 k( 30) = ( 0.0000000 0.0649288 0.3859576), wk = 0.0039062 k( 31) = ( 0.0000000 0.0811611 0.3859576), wk = 0.0039062 k( 32) = ( 0.0000000 0.0973933 0.3859576), wk = 0.0039062 k( 33) = ( 0.0000000 0.1136255 0.3859576), wk = 0.0039062 k( 34) = ( 0.0000000 0.1298577 0.3859576), wk = 0.0039062 k( 35) = ( 0.0000000 0.1460899 0.3859576), wk = 0.0039062 k( 36) = ( 0.0000000 0.1623221 0.3859576), wk = 0.0039062 k( 37) = ( 0.0000000 0.1785543 0.3859576), wk = 0.0039062 k( 38) = ( 0.0000000 0.1947866 0.3859576), wk = 0.0039062 k( 39) = ( 0.0000000 0.2110188 0.3859576), wk = 0.0039062 k( 40) = ( 0.0000000 0.2272510 0.3859576), wk = 0.0039062 k( 41) = ( 0.0000000 0.2434832 0.3859576), wk = 0.0039062 k( 42) = ( 0.0000000 0.2597154 0.3859576), wk = 0.0039062 k( 43) = ( 0.0000000 0.2759476 0.3859576), wk = 0.0039062 k( 44) = ( 0.0000000 0.2921798 0.3859576), wk = 0.0039062 k( 45) = ( 0.0000000 0.3084120 0.3859576), wk = 0.0039062 k( 46) = ( 0.0000000 0.3246442 0.3859576), wk = 0.0039062 k( 47) = ( 0.0000000 0.3408765 0.3859576), wk = 0.0039062 k( 48) = ( 0.0000000 0.3571087 0.3859576), wk = 0.0039062 k( 49) = ( 0.0000000 0.3733409 0.3859576), wk = 0.0039062 k( 50) = ( 0.0000000 0.3895731 0.3859576), wk = 0.0039062 k( 51) = ( 0.0000000 0.4058053 0.3859576), wk = 0.0039062 k( 52) = ( 0.0000000 0.4220375 0.3859576), wk = 0.0039062 k( 53) = ( 0.0000000 0.4382697 0.3859576), wk = 0.0039062 k( 54) = ( 0.0000000 0.4382697 0.3859576), wk = 0.0039062 k( 55) = ( 0.0000000 0.4438629 0.3703952), wk = 0.0039062 k( 56) = ( 0.0000000 0.4494560 0.3548328), wk = 0.0039062 k( 57) = ( 0.0000000 0.4550491 0.3392704), wk = 0.0039062 k( 58) = ( 0.0000000 0.4606422 0.3237079), wk = 0.0039062 k( 59) = ( 0.0000000 0.4662354 0.3081455), wk = 0.0039062 k( 60) = ( 0.0000000 0.4718285 0.2925831), wk = 0.0039062 k( 61) = ( 0.0000000 0.4774216 0.2770207), wk = 0.0039062 k( 62) = ( 0.0000000 0.4830148 0.2614583), wk = 0.0039062 k( 63) = ( 0.0000000 0.4886079 0.2458958), wk = 0.0039062 k( 64) = ( 0.0000000 0.4942010 0.2303334), wk = 0.0039062 k( 65) = ( 0.0000000 0.4997941 0.2147710), wk = 0.0039062 k( 66) = ( 0.0000000 0.5053873 0.1992086), wk = 0.0039062 k( 67) = ( 0.0000000 0.5109804 0.1836462), wk = 0.0039062 k( 68) = ( 0.0000000 0.5109804 0.1836462), wk = 0.0039062 k( 69) = ( 0.0161290 0.5109804 0.1836462), wk = 0.0039062 k( 70) = ( 0.0322581 0.5109804 0.1836462), wk = 0.0039062 k( 71) = ( 0.0483871 0.5109804 0.1836462), wk = 0.0039062 k( 72) = ( 0.0645161 0.5109804 0.1836462), wk = 0.0039062 k( 73) = ( 0.0806452 0.5109804 0.1836462), wk = 0.0039062 k( 74) = ( 0.0967742 0.5109804 0.1836462), wk = 0.0039062 k( 75) = ( 0.1129032 0.5109804 0.1836462), wk = 0.0039062 k( 76) = ( 0.1290323 0.5109804 0.1836462), wk = 0.0039062 k( 77) = ( 0.1451613 0.5109804 0.1836462), wk = 0.0039062 k( 78) = ( 0.1612903 0.5109804 0.1836462), wk = 0.0039062 k( 79) = ( 0.1774194 0.5109804 0.1836462), wk = 0.0039062 k( 80) = ( 0.1935484 0.5109804 0.1836462), wk = 0.0039062 k( 81) = ( 0.2096774 0.5109804 0.1836462), wk = 0.0039062 k( 82) = ( 0.2258064 0.5109804 0.1836462), wk = 0.0039062 k( 83) = ( 0.2419355 0.5109804 0.1836462), wk = 0.0039062 k( 84) = ( 0.2580645 0.5109804 0.1836462), wk = 0.0039062 k( 85) = ( 0.2741936 0.5109804 0.1836462), wk = 0.0039062 k( 86) = ( 0.2903226 0.5109804 0.1836462), wk = 0.0039062 k( 87) = ( 0.3064516 0.5109804 0.1836462), wk = 0.0039062 k( 88) = ( 0.3225807 0.5109804 0.1836462), wk = 0.0039062 k( 89) = ( 0.3387097 0.5109804 0.1836462), wk = 0.0039062 k( 90) = ( 0.3548387 0.5109804 0.1836462), wk = 0.0039062 k( 91) = ( 0.3709677 0.5109804 0.1836462), wk = 0.0039062 k( 92) = ( 0.3870968 0.5109804 0.1836462), wk = 0.0039062 k( 93) = ( 0.4032258 0.5109804 0.1836462), wk = 0.0039062 k( 94) = ( 0.4193548 0.5109804 0.1836462), wk = 0.0039062 k( 95) = ( 0.4354839 0.5109804 0.1836462), wk = 0.0039062 k( 96) = ( 0.4516129 0.5109804 0.1836462), wk = 0.0039062 k( 97) = ( 0.4677419 0.5109804 0.1836462), wk = 0.0039062 k( 98) = ( 0.4838710 0.5109804 0.1836462), wk = 0.0039062 k( 99) = ( 0.5000000 0.5109804 0.1836462), wk = 0.0039062 k( 100) = ( 0.5000000 0.5109804 0.1836462), wk = 0.0039062 k( 101) = ( 0.5000000 0.5165735 0.1680837), wk = 0.0039062 k( 102) = ( 0.5000000 0.5221667 0.1525213), wk = 0.0039062 k( 103) = ( 0.5000000 0.5277598 0.1369589), wk = 0.0039062 k( 104) = ( 0.5000000 0.5333529 0.1213965), wk = 0.0039062 k( 105) = ( 0.5000000 0.5389460 0.1058341), wk = 0.0039062 k( 106) = ( 0.5000000 0.5445392 0.0902716), wk = 0.0039062 k( 107) = ( 0.5000000 0.5501323 0.0747092), wk = 0.0039062 k( 108) = ( 0.5000000 0.5557254 0.0591468), wk = 0.0039062 k( 109) = ( 0.5000000 0.5613185 0.0435844), wk = 0.0039062 k( 110) = ( 0.5000000 0.5669117 0.0280220), wk = 0.0039062 k( 111) = ( 0.5000000 0.5725048 0.0124596), wk = 0.0039062 k( 112) = ( 0.5000000 0.5780979 -0.0031029), wk = 0.0039062 k( 113) = ( 0.5000000 0.5836911 -0.0186653), wk = 0.0039062 k( 114) = ( 0.5000000 0.5836911 -0.0186653), wk = 0.0039062 k( 115) = ( 0.5000000 0.5776318 -0.0339691), wk = 0.0039062 k( 116) = ( 0.5000000 0.5715726 -0.0492730), wk = 0.0039062 k( 117) = ( 0.5000000 0.5655134 -0.0645768), wk = 0.0039062 k( 118) = ( 0.5000000 0.5594542 -0.0798807), wk = 0.0039062 k( 119) = ( 0.5000000 0.5533949 -0.0951845), wk = 0.0039062 k( 120) = ( 0.5000000 0.5473357 -0.1104884), wk = 0.0039062 k( 121) = ( 0.5000000 0.5412765 -0.1257922), wk = 0.0039062 k( 122) = ( 0.5000000 0.5352173 -0.1410961), wk = 0.0039062 k( 123) = ( 0.5000000 0.5291581 -0.1563999), wk = 0.0039062 k( 124) = ( 0.5000000 0.5230988 -0.1717038), wk = 0.0039062 k( 125) = ( 0.5000000 0.5170396 -0.1870076), wk = 0.0039062 k( 126) = ( 0.5000000 0.5109804 -0.2023114), wk = 0.0039062 k( 127) = ( 0.5000000 0.5109804 -0.2023114), wk = 0.0039062 k( 128) = ( 0.4838710 0.5109804 -0.2023114), wk = 0.0039062 k( 129) = ( 0.4677419 0.5109804 -0.2023114), wk = 0.0039062 k( 130) = ( 0.4516129 0.5109804 -0.2023114), wk = 0.0039062 k( 131) = ( 0.4354839 0.5109804 -0.2023114), wk = 0.0039062 k( 132) = ( 0.4193548 0.5109804 -0.2023114), wk = 0.0039062 k( 133) = ( 0.4032258 0.5109804 -0.2023114), wk = 0.0039062 k( 134) = ( 0.3870968 0.5109804 -0.2023114), wk = 0.0039062 k( 135) = ( 0.3709677 0.5109804 -0.2023114), wk = 0.0039062 k( 136) = ( 0.3548387 0.5109804 -0.2023114), wk = 0.0039062 k( 137) = ( 0.3387097 0.5109804 -0.2023114), wk = 0.0039062 k( 138) = ( 0.3225807 0.5109804 -0.2023114), wk = 0.0039062 k( 139) = ( 0.3064516 0.5109804 -0.2023114), wk = 0.0039062 k( 140) = ( 0.2903226 0.5109804 -0.2023114), wk = 0.0039062 k( 141) = ( 0.2741936 0.5109804 -0.2023114), wk = 0.0039062 k( 142) = ( 0.2580645 0.5109804 -0.2023114), wk = 0.0039062 k( 143) = ( 0.2419355 0.5109804 -0.2023114), wk = 0.0039062 k( 144) = ( 0.2258064 0.5109804 -0.2023114), wk = 0.0039062 k( 145) = ( 0.2096774 0.5109804 -0.2023114), wk = 0.0039062 k( 146) = ( 0.1935484 0.5109804 -0.2023114), wk = 0.0039062 k( 147) = ( 0.1774194 0.5109804 -0.2023114), wk = 0.0039062 k( 148) = ( 0.1612903 0.5109804 -0.2023114), wk = 0.0039062 k( 149) = ( 0.1451613 0.5109804 -0.2023114), wk = 0.0039062 k( 150) = ( 0.1290323 0.5109804 -0.2023114), wk = 0.0039062 k( 151) = ( 0.1129032 0.5109804 -0.2023114), wk = 0.0039062 k( 152) = ( 0.0967742 0.5109804 -0.2023114), wk = 0.0039062 k( 153) = ( 0.0806452 0.5109804 -0.2023114), wk = 0.0039062 k( 154) = ( 0.0645161 0.5109804 -0.2023114), wk = 0.0039062 k( 155) = ( 0.0483871 0.5109804 -0.2023114), wk = 0.0039062 k( 156) = ( 0.0322581 0.5109804 -0.2023114), wk = 0.0039062 k( 157) = ( 0.0161290 0.5109804 -0.2023114), wk = 0.0039062 k( 158) = ( 0.0000000 0.5109804 -0.2023114), wk = 0.0039062 k( 159) = ( 0.0000000 0.5109804 -0.2023114), wk = 0.0039062 k( 160) = ( 0.0000000 0.5170396 -0.1870076), wk = 0.0039062 k( 161) = ( 0.0000000 0.5230988 -0.1717038), wk = 0.0039062 k( 162) = ( 0.0000000 0.5291581 -0.1563999), wk = 0.0039062 k( 163) = ( 0.0000000 0.5352173 -0.1410961), wk = 0.0039062 k( 164) = ( 0.0000000 0.5412765 -0.1257922), wk = 0.0039062 k( 165) = ( 0.0000000 0.5473357 -0.1104884), wk = 0.0039062 k( 166) = ( 0.0000000 0.5533949 -0.0951845), wk = 0.0039062 k( 167) = ( 0.0000000 0.5594542 -0.0798807), wk = 0.0039062 k( 168) = ( 0.0000000 0.5655134 -0.0645768), wk = 0.0039062 k( 169) = ( 0.0000000 0.5715726 -0.0492730), wk = 0.0039062 k( 170) = ( 0.0000000 0.5776318 -0.0339691), wk = 0.0039062 k( 171) = ( 0.0000000 0.5836911 -0.0186653), wk = 0.0039062 k( 172) = ( 0.5000000 0.4382697 0.3859576), wk = 0.0039062 k( 173) = ( 0.5000000 0.4220375 0.3859576), wk = 0.0039062 k( 174) = ( 0.5000000 0.4058053 0.3859576), wk = 0.0039062 k( 175) = ( 0.5000000 0.3895731 0.3859576), wk = 0.0039062 k( 176) = ( 0.5000000 0.3733409 0.3859576), wk = 0.0039062 k( 177) = ( 0.5000000 0.3571087 0.3859576), wk = 0.0039062 k( 178) = ( 0.5000000 0.3408765 0.3859576), wk = 0.0039062 k( 179) = ( 0.5000000 0.3246442 0.3859576), wk = 0.0039062 k( 180) = ( 0.5000000 0.3084120 0.3859576), wk = 0.0039062 k( 181) = ( 0.5000000 0.2921798 0.3859576), wk = 0.0039062 k( 182) = ( 0.5000000 0.2759476 0.3859576), wk = 0.0039062 k( 183) = ( 0.5000000 0.2597154 0.3859576), wk = 0.0039062 k( 184) = ( 0.5000000 0.2434832 0.3859576), wk = 0.0039062 k( 185) = ( 0.5000000 0.2272510 0.3859576), wk = 0.0039062 k( 186) = ( 0.5000000 0.2110188 0.3859576), wk = 0.0039062 k( 187) = ( 0.5000000 0.1947866 0.3859576), wk = 0.0039062 k( 188) = ( 0.5000000 0.1785543 0.3859576), wk = 0.0039062 k( 189) = ( 0.5000000 0.1623221 0.3859576), wk = 0.0039062 k( 190) = ( 0.5000000 0.1460899 0.3859576), wk = 0.0039062 k( 191) = ( 0.5000000 0.1298577 0.3859576), wk = 0.0039062 k( 192) = ( 0.5000000 0.1136255 0.3859576), wk = 0.0039062 k( 193) = ( 0.5000000 0.0973933 0.3859576), wk = 0.0039062 k( 194) = ( 0.5000000 0.0811611 0.3859576), wk = 0.0039062 k( 195) = ( 0.5000000 0.0649288 0.3859576), wk = 0.0039062 k( 196) = ( 0.5000000 0.0486966 0.3859576), wk = 0.0039062 k( 197) = ( 0.5000000 0.0324644 0.3859576), wk = 0.0039062 k( 198) = ( 0.5000000 0.0162322 0.3859576), wk = 0.0039062 k( 199) = ( 0.5000000 -0.0000000 0.3859576), wk = 0.0039062 k( 200) = ( 0.5000000 -0.0000000 0.3859576), wk = 0.0039062 k( 201) = ( 0.5000000 -0.0000000 0.3698760), wk = 0.0039062 k( 202) = ( 0.5000000 -0.0000000 0.3537945), wk = 0.0039062 k( 203) = ( 0.5000000 -0.0000000 0.3377129), wk = 0.0039062 k( 204) = ( 0.5000000 -0.0000000 0.3216313), wk = 0.0039062 k( 205) = ( 0.5000000 -0.0000000 0.3055498), wk = 0.0039062 k( 206) = ( 0.5000000 -0.0000000 0.2894682), wk = 0.0039062 k( 207) = ( 0.5000000 -0.0000000 0.2733866), wk = 0.0039062 k( 208) = ( 0.5000000 -0.0000000 0.2573051), wk = 0.0039062 k( 209) = ( 0.5000000 -0.0000000 0.2412235), wk = 0.0039062 k( 210) = ( 0.5000000 -0.0000000 0.2251419), wk = 0.0039062 k( 211) = ( 0.5000000 -0.0000000 0.2090604), wk = 0.0039062 k( 212) = ( 0.5000000 -0.0000000 0.1929788), wk = 0.0039062 k( 213) = ( 0.5000000 -0.0000000 0.1768972), wk = 0.0039062 k( 214) = ( 0.5000000 -0.0000000 0.1608157), wk = 0.0039062 k( 215) = ( 0.5000000 -0.0000000 0.1447341), wk = 0.0039062 k( 216) = ( 0.5000000 -0.0000000 0.1286525), wk = 0.0039062 k( 217) = ( 0.5000000 -0.0000000 0.1125710), wk = 0.0039062 k( 218) = ( 0.5000000 -0.0000000 0.0964894), wk = 0.0039062 k( 219) = ( 0.5000000 -0.0000000 0.0804078), wk = 0.0039062 k( 220) = ( 0.5000000 -0.0000000 0.0643263), wk = 0.0039062 k( 221) = ( 0.5000000 -0.0000000 0.0482447), wk = 0.0039062 k( 222) = ( 0.5000000 -0.0000000 0.0321631), wk = 0.0039062 k( 223) = ( 0.5000000 -0.0000000 0.0160816), wk = 0.0039062 k( 224) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039062 k( 225) = ( 0.0000000 0.0000000 0.3859576), wk = 0.0039062 k( 226) = ( 0.0161290 -0.0000000 0.3859576), wk = 0.0039062 k( 227) = ( 0.0322581 -0.0000000 0.3859576), wk = 0.0039062 k( 228) = ( 0.0483871 -0.0000000 0.3859576), wk = 0.0039062 k( 229) = ( 0.0645161 -0.0000000 0.3859576), wk = 0.0039062 k( 230) = ( 0.0806452 -0.0000000 0.3859576), wk = 0.0039062 k( 231) = ( 0.0967742 -0.0000000 0.3859576), wk = 0.0039062 k( 232) = ( 0.1129032 -0.0000000 0.3859576), wk = 0.0039062 k( 233) = ( 0.1290323 -0.0000000 0.3859576), wk = 0.0039062 k( 234) = ( 0.1451613 -0.0000000 0.3859576), wk = 0.0039062 k( 235) = ( 0.1612903 -0.0000000 0.3859576), wk = 0.0039062 k( 236) = ( 0.1774194 -0.0000000 0.3859576), wk = 0.0039062 k( 237) = ( 0.1935484 -0.0000000 0.3859576), wk = 0.0039062 k( 238) = ( 0.2096774 -0.0000000 0.3859576), wk = 0.0039062 k( 239) = ( 0.2258064 -0.0000000 0.3859576), wk = 0.0039062 k( 240) = ( 0.2419355 -0.0000000 0.3859576), wk = 0.0039062 k( 241) = ( 0.2580645 -0.0000000 0.3859576), wk = 0.0039062 k( 242) = ( 0.2741936 -0.0000000 0.3859576), wk = 0.0039062 k( 243) = ( 0.2903226 -0.0000000 0.3859576), wk = 0.0039062 k( 244) = ( 0.3064516 -0.0000000 0.3859576), wk = 0.0039062 k( 245) = ( 0.3225807 -0.0000000 0.3859576), wk = 0.0039062 k( 246) = ( 0.3387097 -0.0000000 0.3859576), wk = 0.0039062 k( 247) = ( 0.3548387 -0.0000000 0.3859576), wk = 0.0039062 k( 248) = ( 0.3709677 -0.0000000 0.3859576), wk = 0.0039062 k( 249) = ( 0.3870968 -0.0000000 0.3859576), wk = 0.0039062 k( 250) = ( 0.4032258 -0.0000000 0.3859576), wk = 0.0039062 k( 251) = ( 0.4193548 -0.0000000 0.3859576), wk = 0.0039062 k( 252) = ( 0.4354839 -0.0000000 0.3859576), wk = 0.0039062 k( 253) = ( 0.4516129 -0.0000000 0.3859576), wk = 0.0039062 k( 254) = ( 0.4677419 -0.0000000 0.3859576), wk = 0.0039062 k( 255) = ( 0.4838710 -0.0000000 0.3859576), wk = 0.0039062 k( 256) = ( 0.5000000 -0.0000000 0.3859576), wk = 0.0039062 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0039062 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0039062 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039062 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0039062 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039062 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0039062 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039062 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0039062 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0039062 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0039062 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039062 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0039062 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0039062 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0039062 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039062 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0039062 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039062 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0039062 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039062 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0039062 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0039062 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0039062 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.0158834 0.5083258), wk = 0.0039062 k( 28) = ( 0.0000000 0.0317668 0.5166515), wk = 0.0039062 k( 29) = ( 0.0000000 0.0476502 0.5249773), wk = 0.0039062 k( 30) = ( 0.0000000 0.0635336 0.5333031), wk = 0.0039062 k( 31) = ( 0.0000000 0.0794170 0.5416288), wk = 0.0039062 k( 32) = ( 0.0000000 0.0953004 0.5499546), wk = 0.0039062 k( 33) = ( 0.0000000 0.1111838 0.5582804), wk = 0.0039062 k( 34) = ( 0.0000000 0.1270672 0.5666062), wk = 0.0039062 k( 35) = ( 0.0000000 0.1429506 0.5749319), wk = 0.0039062 k( 36) = ( 0.0000000 0.1588340 0.5832577), wk = 0.0039062 k( 37) = ( 0.0000000 0.1747174 0.5915835), wk = 0.0039062 k( 38) = ( 0.0000000 0.1906008 0.5999092), wk = 0.0039062 k( 39) = ( 0.0000000 0.2064842 0.6082350), wk = 0.0039062 k( 40) = ( 0.0000000 0.2223676 0.6165608), wk = 0.0039062 k( 41) = ( 0.0000000 0.2382510 0.6248865), wk = 0.0039062 k( 42) = ( 0.0000000 0.2541344 0.6332123), wk = 0.0039062 k( 43) = ( 0.0000000 0.2700178 0.6415381), wk = 0.0039062 k( 44) = ( 0.0000000 0.2859012 0.6498638), wk = 0.0039062 k( 45) = ( 0.0000000 0.3017846 0.6581896), wk = 0.0039062 k( 46) = ( 0.0000000 0.3176680 0.6665154), wk = 0.0039062 k( 47) = ( 0.0000000 0.3335514 0.6748411), wk = 0.0039062 k( 48) = ( 0.0000000 0.3494348 0.6831669), wk = 0.0039062 k( 49) = ( 0.0000000 0.3653182 0.6914927), wk = 0.0039062 k( 50) = ( 0.0000000 0.3812016 0.6998184), wk = 0.0039062 k( 51) = ( 0.0000000 0.3970850 0.7081442), wk = 0.0039062 k( 52) = ( 0.0000000 0.4129684 0.7164700), wk = 0.0039062 k( 53) = ( 0.0000000 0.4288518 0.7247957), wk = 0.0039062 k( 54) = ( 0.0000000 0.4288518 0.7247957), wk = 0.0039062 k( 55) = ( 0.0000000 0.4343247 0.7075038), wk = 0.0039062 k( 56) = ( 0.0000000 0.4397977 0.6902118), wk = 0.0039062 k( 57) = ( 0.0000000 0.4452706 0.6729198), wk = 0.0039062 k( 58) = ( 0.0000000 0.4507436 0.6556278), wk = 0.0039062 k( 59) = ( 0.0000000 0.4562165 0.6383359), wk = 0.0039062 k( 60) = ( 0.0000000 0.4616894 0.6210439), wk = 0.0039062 k( 61) = ( 0.0000000 0.4671624 0.6037519), wk = 0.0039062 k( 62) = ( 0.0000000 0.4726353 0.5864599), wk = 0.0039062 k( 63) = ( 0.0000000 0.4781083 0.5691679), wk = 0.0039062 k( 64) = ( 0.0000000 0.4835812 0.5518759), wk = 0.0039062 k( 65) = ( 0.0000000 0.4890541 0.5345840), wk = 0.0039062 k( 66) = ( 0.0000000 0.4945271 0.5172920), wk = 0.0039062 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039062 k( 68) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039062 k( 69) = ( 0.0161290 0.5000000 0.5000000), wk = 0.0039062 k( 70) = ( 0.0322581 0.5000000 0.5000000), wk = 0.0039062 k( 71) = ( 0.0483871 0.5000000 0.5000000), wk = 0.0039062 k( 72) = ( 0.0645161 0.5000000 0.5000000), wk = 0.0039062 k( 73) = ( 0.0806452 0.5000000 0.5000000), wk = 0.0039062 k( 74) = ( 0.0967742 0.5000000 0.5000000), wk = 0.0039062 k( 75) = ( 0.1129032 0.5000000 0.5000000), wk = 0.0039062 k( 76) = ( 0.1290323 0.5000000 0.5000000), wk = 0.0039062 k( 77) = ( 0.1451613 0.5000000 0.5000000), wk = 0.0039062 k( 78) = ( 0.1612903 0.5000000 0.5000000), wk = 0.0039062 k( 79) = ( 0.1774194 0.5000000 0.5000000), wk = 0.0039062 k( 80) = ( 0.1935484 0.5000000 0.5000000), wk = 0.0039062 k( 81) = ( 0.2096774 0.5000000 0.5000000), wk = 0.0039062 k( 82) = ( 0.2258064 0.5000000 0.5000000), wk = 0.0039062 k( 83) = ( 0.2419355 0.5000000 0.5000000), wk = 0.0039062 k( 84) = ( 0.2580645 0.5000000 0.5000000), wk = 0.0039062 k( 85) = ( 0.2741936 0.5000000 0.5000000), wk = 0.0039062 k( 86) = ( 0.2903226 0.5000000 0.5000000), wk = 0.0039062 k( 87) = ( 0.3064516 0.5000000 0.5000000), wk = 0.0039062 k( 88) = ( 0.3225807 0.5000000 0.5000000), wk = 0.0039062 k( 89) = ( 0.3387097 0.5000000 0.5000000), wk = 0.0039062 k( 90) = ( 0.3548387 0.5000000 0.5000000), wk = 0.0039062 k( 91) = ( 0.3709677 0.5000000 0.5000000), wk = 0.0039062 k( 92) = ( 0.3870968 0.5000000 0.5000000), wk = 0.0039062 k( 93) = ( 0.4032258 0.5000000 0.5000000), wk = 0.0039062 k( 94) = ( 0.4193548 0.5000000 0.5000000), wk = 0.0039062 k( 95) = ( 0.4354839 0.5000000 0.5000000), wk = 0.0039062 k( 96) = ( 0.4516129 0.5000000 0.5000000), wk = 0.0039062 k( 97) = ( 0.4677419 0.5000000 0.5000000), wk = 0.0039062 k( 98) = ( 0.4838710 0.5000000 0.5000000), wk = 0.0039062 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 101) = ( 0.5000000 0.5054729 0.4827080), wk = 0.0039062 k( 102) = ( 0.5000000 0.5109459 0.4654160), wk = 0.0039062 k( 103) = ( 0.5000000 0.5164188 0.4481241), wk = 0.0039062 k( 104) = ( 0.5000000 0.5218917 0.4308321), wk = 0.0039062 k( 105) = ( 0.5000000 0.5273647 0.4135401), wk = 0.0039062 k( 106) = ( 0.5000000 0.5328376 0.3962481), wk = 0.0039062 k( 107) = ( 0.5000000 0.5383106 0.3789561), wk = 0.0039062 k( 108) = ( 0.5000000 0.5437835 0.3616642), wk = 0.0039062 k( 109) = ( 0.5000000 0.5492564 0.3443722), wk = 0.0039062 k( 110) = ( 0.5000000 0.5547294 0.3270802), wk = 0.0039062 k( 111) = ( 0.5000000 0.5602023 0.3097882), wk = 0.0039062 k( 112) = ( 0.5000000 0.5656752 0.2924962), wk = 0.0039062 k( 113) = ( 0.5000000 0.5711482 0.2752043), wk = 0.0039062 k( 114) = ( 0.5000000 0.5711482 0.2752043), wk = 0.0039062 k( 115) = ( 0.5000000 0.5652192 0.2522706), wk = 0.0039062 k( 116) = ( 0.5000000 0.5592902 0.2293369), wk = 0.0039062 k( 117) = ( 0.5000000 0.5533611 0.2064032), wk = 0.0039062 k( 118) = ( 0.5000000 0.5474321 0.1834695), wk = 0.0039062 k( 119) = ( 0.5000000 0.5415031 0.1605358), wk = 0.0039062 k( 120) = ( 0.5000000 0.5355741 0.1376021), wk = 0.0039062 k( 121) = ( 0.5000000 0.5296451 0.1146684), wk = 0.0039062 k( 122) = ( 0.5000000 0.5237161 0.0917348), wk = 0.0039062 k( 123) = ( 0.5000000 0.5177871 0.0688011), wk = 0.0039062 k( 124) = ( 0.5000000 0.5118580 0.0458674), wk = 0.0039062 k( 125) = ( 0.5000000 0.5059290 0.0229337), wk = 0.0039062 k( 126) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 127) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 128) = ( 0.4838710 0.5000000 0.0000000), wk = 0.0039062 k( 129) = ( 0.4677419 0.5000000 0.0000000), wk = 0.0039062 k( 130) = ( 0.4516129 0.5000000 0.0000000), wk = 0.0039062 k( 131) = ( 0.4354839 0.5000000 0.0000000), wk = 0.0039062 k( 132) = ( 0.4193548 0.5000000 0.0000000), wk = 0.0039062 k( 133) = ( 0.4032258 0.5000000 0.0000000), wk = 0.0039062 k( 134) = ( 0.3870968 0.5000000 0.0000000), wk = 0.0039062 k( 135) = ( 0.3709677 0.5000000 0.0000000), wk = 0.0039062 k( 136) = ( 0.3548387 0.5000000 0.0000000), wk = 0.0039062 k( 137) = ( 0.3387097 0.5000000 0.0000000), wk = 0.0039062 k( 138) = ( 0.3225807 0.5000000 0.0000000), wk = 0.0039062 k( 139) = ( 0.3064516 0.5000000 0.0000000), wk = 0.0039062 k( 140) = ( 0.2903226 0.5000000 0.0000000), wk = 0.0039062 k( 141) = ( 0.2741936 0.5000000 0.0000000), wk = 0.0039062 k( 142) = ( 0.2580645 0.5000000 0.0000000), wk = 0.0039062 k( 143) = ( 0.2419355 0.5000000 0.0000000), wk = 0.0039062 k( 144) = ( 0.2258064 0.5000000 0.0000000), wk = 0.0039062 k( 145) = ( 0.2096774 0.5000000 0.0000000), wk = 0.0039062 k( 146) = ( 0.1935484 0.5000000 0.0000000), wk = 0.0039062 k( 147) = ( 0.1774194 0.5000000 0.0000000), wk = 0.0039062 k( 148) = ( 0.1612903 0.5000000 0.0000000), wk = 0.0039062 k( 149) = ( 0.1451613 0.5000000 0.0000000), wk = 0.0039062 k( 150) = ( 0.1290323 0.5000000 0.0000000), wk = 0.0039062 k( 151) = ( 0.1129032 0.5000000 0.0000000), wk = 0.0039062 k( 152) = ( 0.0967742 0.5000000 0.0000000), wk = 0.0039062 k( 153) = ( 0.0806452 0.5000000 0.0000000), wk = 0.0039062 k( 154) = ( 0.0645161 0.5000000 0.0000000), wk = 0.0039062 k( 155) = ( 0.0483871 0.5000000 0.0000000), wk = 0.0039062 k( 156) = ( 0.0322581 0.5000000 0.0000000), wk = 0.0039062 k( 157) = ( 0.0161290 0.5000000 0.0000000), wk = 0.0039062 k( 158) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 159) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 160) = ( 0.0000000 0.5059290 0.0229337), wk = 0.0039062 k( 161) = ( 0.0000000 0.5118580 0.0458674), wk = 0.0039062 k( 162) = ( 0.0000000 0.5177871 0.0688011), wk = 0.0039062 k( 163) = ( 0.0000000 0.5237161 0.0917348), wk = 0.0039062 k( 164) = ( 0.0000000 0.5296451 0.1146684), wk = 0.0039062 k( 165) = ( 0.0000000 0.5355741 0.1376021), wk = 0.0039062 k( 166) = ( 0.0000000 0.5415031 0.1605358), wk = 0.0039062 k( 167) = ( 0.0000000 0.5474321 0.1834695), wk = 0.0039062 k( 168) = ( 0.0000000 0.5533611 0.2064032), wk = 0.0039062 k( 169) = ( 0.0000000 0.5592902 0.2293369), wk = 0.0039062 k( 170) = ( 0.0000000 0.5652192 0.2522706), wk = 0.0039062 k( 171) = ( 0.0000000 0.5711482 0.2752042), wk = 0.0039062 k( 172) = ( 0.5000000 0.4288518 0.7247957), wk = 0.0039062 k( 173) = ( 0.5000000 0.4129684 0.7164700), wk = 0.0039062 k( 174) = ( 0.5000000 0.3970850 0.7081442), wk = 0.0039062 k( 175) = ( 0.5000000 0.3812016 0.6998184), wk = 0.0039062 k( 176) = ( 0.5000000 0.3653182 0.6914927), wk = 0.0039062 k( 177) = ( 0.5000000 0.3494348 0.6831669), wk = 0.0039062 k( 178) = ( 0.5000000 0.3335514 0.6748411), wk = 0.0039062 k( 179) = ( 0.5000000 0.3176680 0.6665154), wk = 0.0039062 k( 180) = ( 0.5000000 0.3017846 0.6581896), wk = 0.0039062 k( 181) = ( 0.5000000 0.2859012 0.6498638), wk = 0.0039062 k( 182) = ( 0.5000000 0.2700178 0.6415381), wk = 0.0039062 k( 183) = ( 0.5000000 0.2541344 0.6332123), wk = 0.0039062 k( 184) = ( 0.5000000 0.2382510 0.6248865), wk = 0.0039062 k( 185) = ( 0.5000000 0.2223676 0.6165608), wk = 0.0039062 k( 186) = ( 0.5000000 0.2064842 0.6082350), wk = 0.0039062 k( 187) = ( 0.5000000 0.1906008 0.5999092), wk = 0.0039062 k( 188) = ( 0.5000000 0.1747174 0.5915835), wk = 0.0039062 k( 189) = ( 0.5000000 0.1588340 0.5832577), wk = 0.0039062 k( 190) = ( 0.5000000 0.1429506 0.5749319), wk = 0.0039062 k( 191) = ( 0.5000000 0.1270672 0.5666062), wk = 0.0039062 k( 192) = ( 0.5000000 0.1111838 0.5582804), wk = 0.0039062 k( 193) = ( 0.5000000 0.0953004 0.5499546), wk = 0.0039062 k( 194) = ( 0.5000000 0.0794170 0.5416288), wk = 0.0039062 k( 195) = ( 0.5000000 0.0635336 0.5333031), wk = 0.0039062 k( 196) = ( 0.5000000 0.0476502 0.5249773), wk = 0.0039062 k( 197) = ( 0.5000000 0.0317668 0.5166515), wk = 0.0039062 k( 198) = ( 0.5000000 0.0158834 0.5083258), wk = 0.0039062 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039062 k( 200) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039062 k( 201) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0039062 k( 202) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0039062 k( 203) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0039062 k( 204) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0039062 k( 205) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0039062 k( 206) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0039062 k( 207) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0039062 k( 208) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0039062 k( 209) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0039062 k( 210) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0039062 k( 211) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0039062 k( 212) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0039062 k( 213) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0039062 k( 214) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0039062 k( 215) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0039062 k( 216) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0039062 k( 217) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0039062 k( 218) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0039062 k( 219) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0039062 k( 220) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0039062 k( 221) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0039062 k( 222) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0039062 k( 223) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0039062 k( 224) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039062 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039062 k( 226) = ( 0.0161290 0.0000000 0.5000000), wk = 0.0039062 k( 227) = ( 0.0322581 0.0000000 0.5000000), wk = 0.0039062 k( 228) = ( 0.0483871 0.0000000 0.5000000), wk = 0.0039062 k( 229) = ( 0.0645161 0.0000000 0.5000000), wk = 0.0039062 k( 230) = ( 0.0806452 -0.0000000 0.5000000), wk = 0.0039062 k( 231) = ( 0.0967742 0.0000000 0.5000000), wk = 0.0039062 k( 232) = ( 0.1129032 0.0000000 0.5000000), wk = 0.0039062 k( 233) = ( 0.1290323 0.0000000 0.5000000), wk = 0.0039062 k( 234) = ( 0.1451613 0.0000000 0.5000000), wk = 0.0039062 k( 235) = ( 0.1612903 -0.0000000 0.5000000), wk = 0.0039062 k( 236) = ( 0.1774194 0.0000000 0.5000000), wk = 0.0039062 k( 237) = ( 0.1935484 0.0000000 0.5000000), wk = 0.0039062 k( 238) = ( 0.2096774 0.0000000 0.5000000), wk = 0.0039062 k( 239) = ( 0.2258064 0.0000000 0.5000000), wk = 0.0039062 k( 240) = ( 0.2419355 0.0000000 0.5000000), wk = 0.0039062 k( 241) = ( 0.2580645 0.0000000 0.5000000), wk = 0.0039062 k( 242) = ( 0.2741936 0.0000000 0.5000000), wk = 0.0039062 k( 243) = ( 0.2903226 0.0000000 0.5000000), wk = 0.0039062 k( 244) = ( 0.3064516 0.0000000 0.5000000), wk = 0.0039062 k( 245) = ( 0.3225807 0.0000000 0.5000000), wk = 0.0039062 k( 246) = ( 0.3387097 -0.0000000 0.5000000), wk = 0.0039062 k( 247) = ( 0.3548387 0.0000000 0.5000000), wk = 0.0039062 k( 248) = ( 0.3709677 0.0000000 0.5000000), wk = 0.0039062 k( 249) = ( 0.3870968 0.0000000 0.5000000), wk = 0.0039062 k( 250) = ( 0.4032258 0.0000000 0.5000000), wk = 0.0039062 k( 251) = ( 0.4193548 0.0000000 0.5000000), wk = 0.0039062 k( 252) = ( 0.4354839 0.0000000 0.5000000), wk = 0.0039062 k( 253) = ( 0.4516129 0.0000000 0.5000000), wk = 0.0039062 k( 254) = ( 0.4677419 0.0000000 0.5000000), wk = 0.0039062 k( 255) = ( 0.4838710 -0.0000000 0.5000000), wk = 0.0039062 k( 256) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039062 Dense grid: 120925 G-vectors FFT dimensions: ( 60, 60, 80) Smooth grid: 51079 G-vectors FFT dimensions: ( 45, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 354, 62) NL pseudopotentials 0.39 Mb ( 177, 144) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3360) G-vector shells 0.02 Mb ( 3262) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 354, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.27 Mb ( 144, 2, 62) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H4CN.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.7 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.4 secs Computing kpt #: 12 total cpu time spent up to now is 12.2 secs Computing kpt #: 13 total cpu time spent up to now is 13.1 secs Computing kpt #: 14 total cpu time spent up to now is 14.0 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu 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up to now is 43.6 secs Computing kpt #: 48 total cpu time spent up to now is 44.4 secs Computing kpt #: 49 total cpu time spent up to now is 45.3 secs Computing kpt #: 50 total cpu time spent up to now is 46.2 secs Computing kpt #: 51 total cpu time spent up to now is 47.1 secs Computing kpt #: 52 total cpu time spent up to now is 48.0 secs Computing kpt #: 53 total cpu time spent up to now is 48.8 secs Computing kpt #: 54 total cpu time spent up to now is 49.7 secs Computing kpt #: 55 total cpu time spent up to now is 50.6 secs Computing kpt #: 56 total cpu time spent up to now is 51.4 secs Computing kpt #: 57 total cpu time spent up to now is 52.2 secs Computing kpt #: 58 total cpu time spent up to now is 53.1 secs Computing kpt #: 59 total cpu time spent up to now is 54.0 secs Computing kpt #: 60 total cpu time spent up to now is 54.9 secs Computing kpt #: 61 total cpu time spent up to now is 55.7 secs Computing kpt #: 62 total cpu time spent up to now is 56.6 secs Computing kpt #: 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kpt #: 125 total cpu time spent up to now is 109.2 secs Computing kpt #: 126 total cpu time spent up to now is 110.1 secs Computing kpt #: 127 total cpu time spent up to now is 111.0 secs Computing kpt #: 128 total cpu time spent up to now is 111.8 secs Computing kpt #: 129 total cpu time spent up to now is 112.7 secs Computing kpt #: 130 total cpu time spent up to now is 113.5 secs Computing kpt #: 131 total cpu time spent up to now is 114.3 secs Computing kpt #: 132 total cpu time spent up to now is 115.1 secs Computing kpt #: 133 total cpu time spent up to now is 115.9 secs Computing kpt #: 134 total cpu time spent up to now is 116.7 secs Computing kpt #: 135 total cpu time spent up to now is 117.5 secs Computing kpt #: 136 total cpu time spent up to now is 118.2 secs Computing kpt #: 137 total cpu time spent up to now is 119.0 secs Computing kpt #: 138 total cpu time spent up to now is 119.8 secs Computing kpt #: 139 total cpu time spent up to now is 120.5 secs Computing kpt #: 140 total cpu time spent up to now is 121.3 secs Computing kpt #: 141 total cpu time spent up to now is 122.0 secs Computing kpt #: 142 total cpu time spent up to now is 122.8 secs Computing kpt #: 143 total cpu time spent up to now is 123.5 secs Computing kpt #: 144 total cpu time spent up to now is 124.2 secs Computing kpt #: 145 total cpu time spent up to now is 125.0 secs Computing kpt #: 146 total cpu time spent up to now is 125.8 secs Computing kpt #: 147 total cpu time spent up to now is 126.5 secs Computing kpt #: 148 total cpu time spent up to now is 127.2 secs Computing kpt #: 149 total cpu time spent up to now is 128.0 secs Computing kpt #: 150 total cpu time spent up to now is 128.7 secs Computing kpt #: 151 total cpu time spent up to now is 129.5 secs Computing kpt #: 152 total cpu time spent up to now is 130.2 secs Computing kpt #: 153 total cpu time spent up to now is 131.0 secs Computing kpt #: 154 total cpu time spent up to now is 131.8 secs Computing kpt #: 155 total cpu 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up to now is 147.5 secs Computing kpt #: 171 total cpu time spent up to now is 148.4 secs Computing kpt #: 172 total cpu time spent up to now is 149.1 secs Computing kpt #: 173 total cpu time spent up to now is 149.8 secs Computing kpt #: 174 total cpu time spent up to now is 150.7 secs Computing kpt #: 175 total cpu time spent up to now is 151.5 secs Computing kpt #: 176 total cpu time spent up to now is 152.2 secs Computing kpt #: 177 total cpu time spent up to now is 153.2 secs Computing kpt #: 178 total cpu time spent up to now is 154.1 secs Computing kpt #: 179 total cpu time spent up to now is 154.9 secs Computing kpt #: 180 total cpu time spent up to now is 155.8 secs Computing kpt #: 181 total cpu time spent up to now is 156.6 secs Computing kpt #: 182 total cpu time spent up to now is 157.5 secs Computing kpt #: 183 total cpu time spent up to now is 158.4 secs Computing kpt #: 184 total cpu time spent up to now is 159.3 secs Computing kpt #: 185 total cpu time spent up to now is 160.2 secs Computing kpt #: 186 total cpu time spent up to now is 161.2 secs Computing kpt #: 187 total cpu time spent up to now is 162.1 secs Computing kpt #: 188 total cpu time spent up to now is 163.0 secs Computing kpt #: 189 total cpu time spent up to now is 163.9 secs Computing kpt #: 190 total cpu time spent up to now is 164.8 secs Computing kpt #: 191 total cpu time spent up to now is 165.8 secs Computing kpt #: 192 total cpu time spent up to now is 166.7 secs Computing kpt #: 193 total cpu time spent up to now is 167.5 secs Computing kpt #: 194 total cpu time spent up to now is 168.4 secs Computing kpt #: 195 total cpu time spent up to now is 169.4 secs Computing kpt #: 196 total cpu time spent up to now is 170.3 secs Computing kpt #: 197 total cpu time spent up to now is 171.2 secs Computing kpt #: 198 total cpu time spent up to now is 172.1 secs Computing kpt #: 199 total cpu time spent up to now is 173.0 secs Computing kpt #: 200 total cpu time spent up to now is 174.0 secs Computing kpt #: 201 total cpu time spent up to now is 174.9 secs Computing kpt #: 202 total cpu time spent up to now is 175.8 secs Computing kpt #: 203 total cpu time spent up to now is 176.7 secs Computing kpt #: 204 total cpu time spent up to now is 177.6 secs Computing kpt #: 205 total cpu time spent up to now is 178.5 secs Computing kpt #: 206 total cpu time spent up to now is 179.4 secs Computing kpt #: 207 total cpu time spent up to now is 180.4 secs Computing kpt #: 208 total cpu time spent up to now is 181.3 secs Computing kpt #: 209 total cpu time spent up to now is 182.2 secs Computing kpt #: 210 total cpu time spent up to now is 183.2 secs Computing kpt #: 211 total cpu time spent up to now is 184.1 secs Computing kpt #: 212 total cpu time spent up to now is 185.0 secs Computing kpt #: 213 total cpu time spent up to now is 185.9 secs Computing kpt #: 214 total cpu time spent up to now is 186.8 secs Computing kpt #: 215 total cpu time spent up to now is 187.6 secs Computing kpt #: 216 total cpu time spent up to now is 188.6 secs Computing kpt #: 217 total cpu time spent up to now is 189.4 secs Computing kpt #: 218 total cpu time spent up to now is 190.3 secs Computing kpt #: 219 total cpu time spent up to now is 191.2 secs Computing kpt #: 220 total cpu time spent up to now is 192.0 secs Computing kpt #: 221 total cpu time spent up to now is 192.9 secs Computing kpt #: 222 total cpu time spent up to now is 193.8 secs Computing kpt #: 223 total cpu time spent up to now is 194.7 secs Computing kpt #: 224 total cpu time spent up to now is 195.6 secs Computing kpt #: 225 total cpu time spent up to now is 196.4 secs Computing kpt #: 226 total cpu time spent up to now is 197.3 secs Computing kpt #: 227 total cpu time spent up to now is 198.2 secs Computing kpt #: 228 total cpu time spent up to now is 199.1 secs Computing kpt #: 229 total cpu time spent up to now is 200.0 secs Computing kpt #: 230 total cpu time spent up to now is 200.9 secs Computing kpt #: 231 total cpu time spent up to now is 201.8 secs Computing kpt #: 232 total cpu time spent up to now is 202.7 secs Computing kpt #: 233 total cpu time spent up to now is 203.6 secs Computing kpt #: 234 total cpu time spent up to now is 204.6 secs Computing kpt #: 235 total cpu time spent up to now is 205.8 secs Computing kpt #: 236 total cpu time spent up to now is 207.0 secs Computing kpt #: 237 total cpu time spent up to now is 208.5 secs Computing kpt #: 238 total cpu time spent up to now is 210.1 secs Computing kpt #: 239 total cpu time spent up to now is 212.2 secs Computing kpt #: 240 total cpu time spent up to now is 213.9 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 242 total cpu time spent up to now is 218.3 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.4 secs Computing kpt #: 244 total cpu time spent up to now is 221.3 secs Computing kpt #: 245 total cpu time spent up to now is 222.2 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.4 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.6 secs Computing kpt #: 248 total cpu time spent up to now is 227.5 secs Computing kpt #: 249 total cpu time spent up to now is 228.4 secs Computing kpt #: 250 total cpu time spent up to now is 229.3 secs Computing kpt #: 251 total cpu time spent up to now is 230.2 secs Computing kpt #: 252 total cpu time spent up to now is 231.1 secs Computing kpt #: 253 total cpu time spent up to now is 232.0 secs Computing kpt #: 254 total cpu time spent up to now is 232.9 secs Computing kpt #: 255 total cpu time spent up to now is 233.9 secs Computing kpt #: 256 total cpu time spent up to now is 234.8 secs ethr = 1.92E-08, avg # of iterations = 26.4 total cpu time spent up to now is 234.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6387 PWs) bands (ev): -17.3999 -17.3999 -17.1016 -17.1016 -16.5225 -16.5225 -16.4145 -16.4145 -12.5009 -12.5009 -12.2916 -12.2916 -10.3475 -10.3475 -10.1273 -10.1273 -7.4441 -7.4441 -7.1993 -7.1993 -6.6720 -6.6720 -5.9822 -5.9822 -5.9189 -5.9189 -5.8416 -5.8416 -5.7413 -5.7413 -5.4703 -5.4703 -4.2289 -4.2289 -4.1131 -4.1131 -3.9300 -3.9300 -3.6813 -3.6813 -2.8417 -2.8417 -2.6747 -2.6747 -0.8098 -0.8098 -0.6950 -0.6950 -0.0482 -0.0482 0.6727 0.6727 5.5753 5.5753 7.3269 7.3269 7.6393 7.6393 7.8568 7.8568 8.4549 8.4549 k = 0.0000 0.0000 0.0161 ( 6384 PWs) bands (ev): -17.3997 -17.3997 -17.1020 -17.1020 -16.5223 -16.5223 -16.4146 -16.4146 -12.5007 -12.5007 -12.2918 -12.2918 -10.3472 -10.3472 -10.1275 -10.1275 -7.4439 -7.4439 -7.1997 -7.1997 -6.6712 -6.6712 -5.9822 -5.9822 -5.9199 -5.9199 -5.8418 -5.8418 -5.7410 -5.7410 -5.4705 -5.4705 -4.2281 -4.2281 -4.1128 -4.1128 -3.9302 -3.9302 -3.6816 -3.6816 -2.8417 -2.8417 -2.6749 -2.6749 -0.8100 -0.8100 -0.6954 -0.6954 -0.0473 -0.0473 0.6720 0.6720 5.5760 5.5760 7.3175 7.3175 7.6462 7.6462 7.8580 7.8580 8.4502 8.4502 k = 0.0000 0.0000 0.0322 ( 6387 PWs) bands (ev): -17.3988 -17.3988 -17.1032 -17.1032 -16.5217 -16.5217 -16.4148 -16.4148 -12.5001 -12.5001 -12.2926 -12.2926 -10.3464 -10.3464 -10.1282 -10.1282 -7.4434 -7.4434 -7.2007 -7.2007 -6.6687 -6.6687 -5.9821 -5.9821 -5.9228 -5.9228 -5.8423 -5.8423 -5.7400 -5.7400 -5.4713 -5.4713 -4.2255 -4.2255 -4.1122 -4.1122 -3.9308 -3.9308 -3.6824 -3.6824 -2.8414 -2.8414 -2.6755 -2.6755 -0.8107 -0.8107 -0.6965 -0.6965 -0.0445 -0.0445 0.6699 0.6699 5.5780 5.5780 7.2915 7.2915 7.6649 7.6649 7.8617 7.8617 8.4371 8.4371 k = 0.0000 0.0000 0.0482 ( 6383 PWs) bands (ev): -17.3975 -17.3975 -17.1052 -17.1052 -16.5207 -16.5207 -16.4152 -16.4152 -12.4991 -12.4991 -12.2937 -12.2937 -10.3452 -10.3452 -10.1292 -10.1292 -7.4426 -7.4426 -7.2024 -7.2024 -6.6646 -6.6646 -5.9820 -5.9820 -5.9276 -5.9276 -5.8432 -5.8432 -5.7384 -5.7384 -5.4724 -5.4724 -4.2212 -4.2212 -4.1111 -4.1111 -3.9318 -3.9318 -3.6838 -3.6838 -2.8409 -2.8409 -2.6767 -2.6767 -0.8119 -0.8119 -0.6984 -0.6984 -0.0398 -0.0398 0.6664 0.6664 5.5814 5.5814 7.2536 7.2536 7.6907 7.6907 7.8677 7.8677 8.4176 8.4176 k = 0.0000 0.0000 0.0643 ( 6379 PWs) bands (ev): -17.3956 -17.3956 -17.1080 -17.1080 -16.5194 -16.5194 -16.4157 -16.4157 -12.4976 -12.4976 -12.2954 -12.2954 -10.3434 -10.3434 -10.1307 -10.1307 -7.4414 -7.4414 -7.2047 -7.2047 -6.6588 -6.6588 -5.9818 -5.9818 -5.9341 -5.9341 -5.8446 -5.8446 -5.7361 -5.7361 -5.4741 -5.4741 -4.2152 -4.2152 -4.1096 -4.1096 -3.9331 -3.9331 -3.6858 -3.6858 -2.8402 -2.8402 -2.6782 -2.6782 -0.8134 -0.8134 -0.7010 -0.7010 -0.0333 -0.0333 0.6616 0.6616 5.5862 5.5862 7.2077 7.2077 7.7197 7.7197 7.8760 7.8760 8.3940 8.3940 k = 0.0000 0.0000 0.0804 ( 6383 PWs) bands (ev): -17.3932 -17.3932 -17.1115 -17.1115 -16.5178 -16.5178 -16.4163 -16.4163 -12.4957 -12.4957 -12.2976 -12.2976 -10.3411 -10.3411 -10.1327 -10.1327 -7.4399 -7.4399 -7.2077 -7.2077 -6.6515 -6.6515 -5.9815 -5.9815 -5.9422 -5.9422 -5.8466 -5.8466 -5.7332 -5.7332 -5.4763 -5.4763 -4.2077 -4.2077 -4.1077 -4.1077 -3.9349 -3.9349 -3.6884 -3.6884 -2.8394 -2.8394 -2.6802 -2.6802 -0.8153 -0.8153 -0.7043 -0.7043 -0.0251 -0.0251 0.6554 0.6554 5.5924 5.5924 7.1564 7.1564 7.7495 7.7495 7.8863 7.8863 8.3686 8.3686 k = 0.0000 0.0000 0.0965 ( 6376 PWs) bands (ev): -17.3903 -17.3903 -17.1158 -17.1158 -16.5158 -16.5158 -16.4171 -16.4171 -12.4934 -12.4934 -12.3001 -12.3001 -10.3383 -10.3383 -10.1350 -10.1350 -7.4381 -7.4381 -7.2114 -7.2114 -6.6426 -6.6426 -5.9812 -5.9812 -5.9518 -5.9518 -5.8491 -5.8491 -5.7297 -5.7297 -5.4789 -5.4789 -4.1986 -4.1986 -4.1053 -4.1053 -3.9369 -3.9369 -3.6916 -3.6916 -2.8383 -2.8383 -2.6825 -2.6825 -0.8174 -0.8174 -0.7082 -0.7082 -0.0152 -0.0152 0.6479 0.6479 5.6001 5.6001 7.1014 7.1014 7.7783 7.7783 7.8983 7.8983 8.3430 8.3430 k = 0.0000 0.0000 0.1126 ( 6377 PWs) bands (ev): -17.3869 -17.3869 -17.1207 -17.1207 -16.5135 -16.5135 -16.4180 -16.4180 -12.4908 -12.4908 -12.3031 -12.3031 -10.3351 -10.3351 -10.1377 -10.1377 -7.4359 -7.4359 -7.2156 -7.2156 -6.6322 -6.6322 -5.9808 -5.9808 -5.9627 -5.9627 -5.8523 -5.8523 -5.7256 -5.7256 -5.4820 -5.4820 -4.1880 -4.1880 -4.1026 -4.1026 -3.9394 -3.9394 -3.6955 -3.6955 -2.8370 -2.8370 -2.6853 -2.6853 -0.8197 -0.8197 -0.7128 -0.7128 -0.0037 -0.0037 0.6391 0.6391 5.6094 5.6094 7.0439 7.0439 7.8053 7.8053 7.9118 7.9118 8.3185 8.3185 k = 0.0000 0.0000 0.1287 ( 6375 PWs) bands (ev): -17.3830 -17.3830 -17.1263 -17.1263 -16.5109 -16.5109 -16.4191 -16.4191 -12.4877 -12.4877 -12.3066 -12.3066 -10.3314 -10.3314 -10.1408 -10.1408 -7.4333 -7.4333 -7.2204 -7.2204 -6.6204 -6.6204 -5.9803 -5.9803 -5.9749 -5.9749 -5.8562 -5.8562 -5.7210 -5.7210 -5.4856 -5.4856 -4.1760 -4.1760 -4.0995 -4.0995 -3.9422 -3.9422 -3.7001 -3.7001 -2.8354 -2.8354 -2.6885 -2.6885 -0.8222 -0.8222 -0.7179 -0.7179 0.0093 0.0093 0.6290 0.6290 5.6204 5.6204 6.9845 6.9845 7.8299 7.8299 7.9265 7.9265 8.2961 8.2961 k = 0.0000 0.0000 0.1447 ( 6374 PWs) bands (ev): -17.3785 -17.3785 -17.1324 -17.1324 -16.5081 -16.5081 -16.4203 -16.4203 -12.4843 -12.4843 -12.3104 -12.3104 -10.3273 -10.3273 -10.1443 -10.1443 -7.4304 -7.4304 -7.2258 -7.2258 -6.6071 -6.6071 -5.9882 -5.9882 -5.9797 -5.9797 -5.8607 -5.8607 -5.7158 -5.7158 -5.4896 -5.4896 -4.1628 -4.1628 -4.0960 -4.0960 -3.9453 -3.9453 -3.7055 -3.7055 -2.8336 -2.8336 -2.6920 -2.6920 -0.8247 -0.8247 -0.7235 -0.7235 0.0236 0.0236 0.6177 0.6177 5.6332 5.6332 6.9238 6.9238 7.8516 7.8516 7.9420 7.9420 8.2763 8.2763 k = 0.0000 0.0000 0.1608 ( 6380 PWs) bands (ev): -17.3736 -17.3736 -17.1392 -17.1392 -16.5051 -16.5051 -16.4217 -16.4217 -12.4805 -12.4805 -12.3146 -12.3146 -10.3228 -10.3228 -10.1482 -10.1482 -7.4271 -7.4271 -7.2316 -7.2316 -6.5925 -6.5925 -6.0027 -6.0027 -5.9790 -5.9790 -5.8657 -5.8657 -5.7101 -5.7101 -5.4941 -5.4941 -4.1485 -4.1485 -4.0921 -4.0921 -3.9487 -3.9487 -3.7116 -3.7116 -2.8315 -2.8315 -2.6958 -2.6958 -0.8271 -0.8271 -0.7296 -0.7296 0.0393 0.0393 0.6052 0.6052 5.6477 5.6477 6.8624 6.8624 7.8703 7.8703 7.9579 7.9579 8.2595 8.2595 k = 0.0000 0.0000 0.1769 ( 6377 PWs) bands (ev): -17.3683 -17.3683 -17.1464 -17.1464 -16.5019 -16.5019 -16.4232 -16.4232 -12.4764 -12.4764 -12.3192 -12.3192 -10.3179 -10.3179 -10.1525 -10.1525 -7.4234 -7.4234 -7.2380 -7.2380 -6.5766 -6.5766 -6.0182 -6.0182 -5.9781 -5.9781 -5.8712 -5.8712 -5.7039 -5.7039 -5.4991 -5.4991 -4.1332 -4.1332 -4.0878 -4.0878 -3.9524 -3.9524 -3.7186 -3.7186 -2.8290 -2.8290 -2.7000 -2.7000 -0.8294 -0.8294 -0.7361 -0.7361 0.0562 0.0562 0.5915 0.5915 5.6642 5.6642 6.8006 6.8006 7.8860 7.8860 7.9738 7.9738 8.2459 8.2459 k = 0.0000 0.0000 0.1930 ( 6383 PWs) bands (ev): -17.3625 -17.3625 -17.1542 -17.1542 -16.4986 -16.4986 -16.4249 -16.4249 -12.4719 -12.4719 -12.3242 -12.3242 -10.3127 -10.3127 -10.1571 -10.1571 -7.4193 -7.4193 -7.2447 -7.2447 -6.5595 -6.5595 -6.0347 -6.0347 -5.9771 -5.9771 -5.8770 -5.8770 -5.6972 -5.6972 -5.5045 -5.5045 -4.1171 -4.1171 -4.0831 -4.0831 -3.9564 -3.9564 -3.7264 -3.7264 -2.8263 -2.8263 -2.7045 -2.7045 -0.8315 -0.8315 -0.7428 -0.7428 0.0741 0.0741 0.5768 0.5768 5.6826 5.6826 6.7387 6.7387 7.8988 7.8988 7.9895 7.9895 8.2355 8.2355 k = 0.0000 0.0000 0.2091 ( 6387 PWs) bands (ev): -17.3562 -17.3562 -17.1623 -17.1623 -16.4951 -16.4951 -16.4267 -16.4267 -12.4672 -12.4672 -12.3294 -12.3294 -10.3071 -10.3071 -10.1620 -10.1620 -7.4148 -7.4148 -7.2519 -7.2519 -6.5413 -6.5413 -6.0523 -6.0523 -5.9759 -5.9759 -5.8832 -5.8832 -5.6902 -5.6902 -5.5103 -5.5103 -4.1006 -4.1006 -4.0777 -4.0777 -3.9607 -3.9607 -3.7351 -3.7351 -2.8233 -2.8233 -2.7093 -2.7093 -0.8333 -0.8333 -0.7498 -0.7498 0.0930 0.0930 0.5610 0.5610 5.7031 5.7031 6.6771 6.6771 7.9091 7.9091 8.0043 8.0043 8.2278 8.2278 k = 0.0000 0.0000 0.2251 ( 6387 PWs) bands (ev): -17.3496 -17.3496 -17.1708 -17.1708 -16.4915 -16.4915 -16.4286 -16.4286 -12.4621 -12.4621 -12.3349 -12.3349 -10.3012 -10.3012 -10.1673 -10.1673 -7.4099 -7.4099 -7.2594 -7.2594 -6.5221 -6.5221 -6.0707 -6.0707 -5.9746 -5.9746 -5.8895 -5.8895 -5.6827 -5.6827 -5.5165 -5.5165 -4.0851 -4.0851 -4.0704 -4.0704 -3.9651 -3.9651 -3.7448 -3.7448 -2.8199 -2.8199 -2.7143 -2.7143 -0.8348 -0.8348 -0.7569 -0.7569 0.1128 0.1128 0.5442 0.5442 5.7257 5.7257 6.6160 6.6160 7.9174 7.9174 8.0180 8.0180 8.2226 8.2226 k = 0.0000 0.0000 0.2412 ( 6396 PWs) bands (ev): -17.3425 -17.3425 -17.1796 -17.1796 -16.4879 -16.4879 -16.4307 -16.4307 -12.4568 -12.4568 -12.3407 -12.3407 -10.2950 -10.2950 -10.1728 -10.1728 -7.4047 -7.4047 -7.2672 -7.2672 -6.5019 -6.5019 -6.0900 -6.0900 -5.9730 -5.9730 -5.8960 -5.8960 -5.6749 -5.6749 -5.5232 -5.5232 -4.0740 -4.0740 -4.0579 -4.0579 -3.9699 -3.9699 -3.7553 -3.7553 -2.8162 -2.8162 -2.7195 -2.7195 -0.8358 -0.8358 -0.7641 -0.7641 0.1333 0.1333 0.5265 0.5265 5.7504 5.7504 6.5556 6.5556 7.9243 7.9243 8.0301 8.0301 8.2193 8.2193 k = 0.0000 0.0000 0.2573 ( 6394 PWs) bands (ev): -17.3351 -17.3351 -17.1886 -17.1886 -16.4842 -16.4842 -16.4329 -16.4329 -12.4512 -12.4512 -12.3467 -12.3467 -10.2886 -10.2886 -10.1787 -10.1787 -7.3991 -7.3991 -7.2752 -7.2752 -6.4809 -6.4809 -6.1102 -6.1102 -5.9712 -5.9712 -5.9024 -5.9024 -5.6668 -5.6668 -5.5302 -5.5302 -4.0668 -4.0668 -4.0408 -4.0408 -3.9748 -3.9748 -3.7667 -3.7667 -2.8123 -2.8123 -2.7249 -2.7249 -0.8364 -0.8364 -0.7713 -0.7713 0.1546 0.1546 0.5079 0.5079 5.7773 5.7773 6.4961 6.4961 7.9304 7.9304 8.0399 8.0399 8.2174 8.2174 k = 0.0000 0.0000 0.2734 ( 6390 PWs) bands (ev): -17.3273 -17.3273 -17.1979 -17.1979 -16.4805 -16.4805 -16.4353 -16.4353 -12.4453 -12.4453 -12.3529 -12.3529 -10.2820 -10.2820 -10.1847 -10.1847 -7.3931 -7.3931 -7.2834 -7.2834 -6.4591 -6.4591 -6.1312 -6.1312 -5.9692 -5.9692 -5.9088 -5.9088 -5.6585 -5.6585 -5.5375 -5.5375 -4.0607 -4.0607 -4.0221 -4.0221 -3.9799 -3.9799 -3.7791 -3.7791 -2.8080 -2.8080 -2.7305 -2.7305 -0.8364 -0.8364 -0.7785 -0.7785 0.1763 0.1763 0.4885 0.4885 5.8065 5.8065 6.4377 6.4377 7.9363 7.9363 8.0468 8.0468 8.2164 8.2164 k = 0.0000 0.0000 0.2895 ( 6387 PWs) bands (ev): -17.3192 -17.3192 -17.2074 -17.2074 -16.4768 -16.4768 -16.4378 -16.4378 -12.4392 -12.4392 -12.3593 -12.3593 -10.2752 -10.2752 -10.1910 -10.1910 -7.3867 -7.3867 -7.2918 -7.2918 -6.4366 -6.4366 -6.1529 -6.1529 -5.9669 -5.9669 -5.9150 -5.9150 -5.6499 -5.6499 -5.5452 -5.5452 -4.0548 -4.0548 -4.0029 -4.0029 -3.9852 -3.9852 -3.7923 -3.7923 -2.8034 -2.8034 -2.7362 -2.7362 -0.8359 -0.8359 -0.7854 -0.7854 0.1986 0.1986 0.4684 0.4684 5.8378 5.8378 6.3807 6.3807 7.9426 7.9426 8.0502 8.0502 8.2157 8.2157 k = 0.0000 0.0000 0.3055 ( 6396 PWs) bands (ev): -17.3108 -17.3108 -17.2170 -17.2170 -16.4731 -16.4731 -16.4405 -16.4405 -12.4330 -12.4330 -12.3659 -12.3659 -10.2682 -10.2682 -10.1976 -10.1976 -7.3800 -7.3800 -7.3003 -7.3003 -6.4135 -6.4135 -6.1752 -6.1752 -5.9643 -5.9643 -5.9210 -5.9210 -5.6411 -5.6411 -5.5532 -5.5532 -4.0490 -4.0490 -3.9906 -3.9906 -3.9835 -3.9835 -3.8064 -3.8064 -2.7986 -2.7986 -2.7420 -2.7420 -0.8348 -0.8348 -0.7922 -0.7922 0.2212 0.2212 0.4476 0.4476 5.8715 5.8715 6.3251 6.3251 7.9495 7.9495 8.0495 8.0495 8.2153 8.2153 k = 0.0000 0.0000 0.3216 ( 6395 PWs) bands (ev): -17.3021 -17.3021 -17.2266 -17.2266 -16.4695 -16.4695 -16.4432 -16.4432 -12.4266 -12.4266 -12.3726 -12.3726 -10.2612 -10.2612 -10.2043 -10.2043 -7.3730 -7.3730 -7.3087 -7.3087 -6.3900 -6.3900 -6.1981 -6.1981 -5.9615 -5.9615 -5.9268 -5.9268 -5.6323 -5.6323 -5.5614 -5.5614 -4.0431 -4.0431 -3.9962 -3.9962 -3.9641 -3.9641 -3.8214 -3.8214 -2.7936 -2.7936 -2.7479 -2.7479 -0.8331 -0.8331 -0.7986 -0.7986 0.2441 0.2441 0.4262 0.4262 5.9073 5.9073 6.2710 6.2710 7.9574 7.9574 8.0446 8.0446 8.2147 8.2147 k = 0.0000 0.0000 0.3377 ( 6394 PWs) bands (ev): -17.2932 -17.2932 -17.2363 -17.2363 -16.4659 -16.4659 -16.4461 -16.4461 -12.4200 -12.4200 -12.3793 -12.3793 -10.2540 -10.2540 -10.2111 -10.2111 -7.3657 -7.3657 -7.3172 -7.3172 -6.3662 -6.3662 -6.2214 -6.2214 -5.9583 -5.9583 -5.9323 -5.9323 -5.6233 -5.6233 -5.5699 -5.5699 -4.0372 -4.0372 -4.0019 -4.0019 -3.9447 -3.9447 -3.8371 -3.8371 -2.7883 -2.7883 -2.7538 -2.7538 -0.8308 -0.8308 -0.8047 -0.8047 0.2672 0.2672 0.4043 0.4043 5.9455 5.9455 6.2187 6.2187 7.9664 7.9664 8.0361 8.0361 8.2139 8.2139 k = 0.0000 0.0000 0.3538 ( 6400 PWs) bands (ev): -17.2841 -17.2841 -17.2460 -17.2460 -16.4624 -16.4624 -16.4492 -16.4492 -12.4134 -12.4134 -12.3861 -12.3861 -10.2468 -10.2468 -10.2181 -10.2181 -7.3581 -7.3581 -7.3257 -7.3257 -6.3420 -6.3420 -6.2452 -6.2452 -5.9548 -5.9548 -5.9375 -5.9375 -5.6143 -5.6143 -5.5785 -5.5785 -4.0312 -4.0312 -4.0077 -4.0077 -3.9256 -3.9256 -3.8536 -3.8536 -2.7828 -2.7828 -2.7597 -2.7597 -0.8278 -0.8278 -0.8103 -0.8103 0.2903 0.2903 0.3821 0.3821 5.9858 5.9858 6.1681 6.1681 7.9767 7.9767 8.0252 8.0252 8.2120 8.2120 k = 0.0000 0.0000 0.3699 ( 6413 PWs) bands (ev): -17.2748 -17.2748 -17.2557 -17.2557 -16.4589 -16.4589 -16.4523 -16.4523 -12.4066 -12.4066 -12.3930 -12.3930 -10.2396 -10.2396 -10.2252 -10.2252 -7.3503 -7.3503 -7.3340 -7.3340 -6.3178 -6.3178 -6.2693 -6.2693 -5.9510 -5.9510 -5.9423 -5.9423 -5.6052 -5.6052 -5.5873 -5.5873 -4.0253 -4.0253 -4.0135 -4.0135 -3.9069 -3.9069 -3.8708 -3.8708 -2.7772 -2.7772 -2.7657 -2.7657 -0.8243 -0.8243 -0.8155 -0.8155 0.3135 0.3135 0.3594 0.3594 6.0282 6.0282 6.1195 6.1195 7.9880 7.9880 8.0129 8.0129 8.2108 8.2108 k = 0.0000 0.0000 0.3860 ( 6424 PWs) bands (ev): -17.2653 -17.2653 -17.2653 -17.2653 -16.4556 -16.4556 -16.4556 -16.4556 -12.3998 -12.3998 -12.3998 -12.3998 -10.2324 -10.2324 -10.2324 -10.2324 -7.3423 -7.3423 -7.3423 -7.3423 -6.2935 -6.2935 -6.2935 -6.2935 -5.9468 -5.9468 -5.9468 -5.9468 -5.5962 -5.5962 -5.5962 -5.5962 -4.0194 -4.0194 -4.0194 -4.0194 -3.8886 -3.8886 -3.8886 -3.8886 -2.7715 -2.7715 -2.7715 -2.7715 -0.8202 -0.8202 -0.8202 -0.8202 0.3365 0.3365 0.3365 0.3365 6.0728 6.0728 6.0728 6.0728 8.0002 8.0002 8.0002 8.0002 8.2110 8.2110 k = 0.0000 0.0000 0.3860 ( 6424 PWs) bands (ev): -17.2653 -17.2653 -17.2653 -17.2653 -16.4556 -16.4556 -16.4556 -16.4556 -12.3998 -12.3998 -12.3998 -12.3998 -10.2324 -10.2324 -10.2324 -10.2324 -7.3423 -7.3423 -7.3423 -7.3423 -6.2935 -6.2935 -6.2935 -6.2935 -5.9468 -5.9468 -5.9468 -5.9468 -5.5962 -5.5962 -5.5962 -5.5962 -4.0194 -4.0194 -4.0194 -4.0194 -3.8886 -3.8886 -3.8886 -3.8886 -2.7715 -2.7715 -2.7715 -2.7715 -0.8202 -0.8202 -0.8202 -0.8202 0.3365 0.3365 0.3365 0.3365 6.0728 6.0728 6.0728 6.0728 8.0002 8.0002 8.0002 8.0002 8.2110 8.2110 k = 0.0000 0.0162 0.3860 ( 6409 PWs) bands (ev): -17.2680 -17.2680 -17.2620 -17.2620 -16.4630 -16.4630 -16.4485 -16.4485 -12.4001 -12.4001 -12.3998 -12.3998 -10.2334 -10.2334 -10.2327 -10.2327 -7.3484 -7.3484 -7.3355 -7.3355 -6.2979 -6.2979 -6.2888 -6.2888 -5.9476 -5.9476 -5.9448 -5.9448 -5.5969 -5.5969 -5.5944 -5.5944 -4.0336 -4.0336 -4.0057 -4.0057 -3.8915 -3.8915 -3.8849 -3.8849 -2.7827 -2.7827 -2.7611 -2.7611 -0.8380 -0.8380 -0.8035 -0.8035 0.3270 0.3270 0.3470 0.3470 6.0541 6.0541 6.0920 6.0920 7.9436 7.9436 8.0498 8.0498 8.2073 8.2073 k = 0.0000 0.0325 0.3860 ( 6404 PWs) bands (ev): -17.2703 -17.2703 -17.2582 -17.2582 -16.4709 -16.4709 -16.4419 -16.4419 -12.4007 -12.4007 -12.4000 -12.4000 -10.2356 -10.2356 -10.2343 -10.2343 -7.3540 -7.3540 -7.3281 -7.3281 -6.3019 -6.3019 -6.2839 -6.2839 -5.9472 -5.9472 -5.9417 -5.9417 -5.5964 -5.5964 -5.5914 -5.5914 -4.0482 -4.0482 -3.9925 -3.9925 -3.8936 -3.8936 -3.8804 -3.8804 -2.7946 -2.7946 -2.7515 -2.7515 -0.8569 -0.8569 -0.7880 -0.7880 0.3187 0.3187 0.3585 0.3585 6.0357 6.0357 6.1114 6.1114 7.8804 7.8804 8.0916 8.0916 8.2048 8.2048 k = 0.0000 0.0487 0.3860 ( 6410 PWs) bands (ev): -17.2720 -17.2720 -17.2539 -17.2539 -16.4792 -16.4792 -16.4357 -16.4357 -12.4016 -12.4016 -12.4006 -12.4006 -10.2391 -10.2391 -10.2371 -10.2371 -7.3589 -7.3589 -7.3201 -7.3201 -6.3057 -6.3057 -6.2789 -6.2789 -5.9455 -5.9455 -5.9375 -5.9375 -5.5947 -5.5947 -5.5873 -5.5873 -4.0632 -4.0632 -3.9798 -3.9798 -3.8948 -3.8948 -3.8754 -3.8754 -2.8073 -2.8073 -2.7429 -2.7429 -0.8766 -0.8766 -0.7738 -0.7738 0.3116 0.3116 0.3706 0.3706 6.0178 6.0178 6.1311 6.1311 7.8111 7.8111 8.1242 8.1242 8.2035 8.2035 k = 0.0000 0.0649 0.3860 ( 6412 PWs) bands (ev): -17.2732 -17.2732 -17.2492 -17.2492 -16.4878 -16.4878 -16.4300 -16.4300 -12.4027 -12.4027 -12.4013 -12.4013 -10.2438 -10.2438 -10.2411 -10.2411 -7.3631 -7.3631 -7.3115 -7.3115 -6.3092 -6.3092 -6.2736 -6.2736 -5.9427 -5.9427 -5.9323 -5.9323 -5.5919 -5.5919 -5.5821 -5.5821 -4.0785 -4.0785 -3.9678 -3.9678 -3.8951 -3.8951 -3.8697 -3.8697 -2.8205 -2.8205 -2.7351 -2.7351 -0.8971 -0.8971 -0.7610 -0.7610 0.3058 0.3058 0.3833 0.3833 6.0002 6.0002 6.1509 6.1509 7.7362 7.7362 8.1465 8.1465 8.2035 8.2035 k = 0.0000 0.0812 0.3860 ( 6409 PWs) bands (ev): -17.2739 -17.2739 -17.2440 -17.2440 -16.4968 -16.4968 -16.4247 -16.4247 -12.4042 -12.4042 -12.4023 -12.4023 -10.2497 -10.2497 -10.2462 -10.2462 -7.3668 -7.3668 -7.3024 -7.3024 -6.3122 -6.3122 -6.2682 -6.2682 -5.9386 -5.9386 -5.9260 -5.9260 -5.5880 -5.5880 -5.5758 -5.5758 -4.0941 -4.0941 -3.9563 -3.9563 -3.8945 -3.8945 -3.8635 -3.8635 -2.8344 -2.8344 -2.7282 -2.7282 -0.9181 -0.9181 -0.7496 -0.7496 0.3015 0.3015 0.3965 0.3965 5.9831 5.9831 6.1708 6.1708 7.6564 7.6564 8.1592 8.1592 8.2048 8.2048 k = 0.0000 0.0974 0.3860 ( 6403 PWs) bands (ev): -17.2741 -17.2741 -17.2383 -17.2383 -16.5061 -16.5061 -16.4199 -16.4199 -12.4058 -12.4058 -12.4035 -12.4035 -10.2567 -10.2567 -10.2524 -10.2524 -7.3698 -7.3698 -7.2928 -7.2928 -6.3150 -6.3150 -6.2628 -6.2628 -5.9334 -5.9334 -5.9189 -5.9189 -5.5830 -5.5830 -5.5687 -5.5687 -4.1097 -4.1097 -3.9455 -3.9455 -3.8929 -3.8929 -3.8569 -3.8569 -2.8487 -2.8487 -2.7223 -2.7223 -0.9396 -0.9396 -0.7397 -0.7397 0.2986 0.2986 0.4099 0.4099 5.9662 5.9662 6.1906 6.1906 7.5727 7.5727 8.1650 8.1650 8.2077 8.2077 k = 0.0000 0.1136 0.3860 ( 6401 PWs) bands (ev): -17.2738 -17.2738 -17.2322 -17.2322 -16.5157 -16.5157 -16.4155 -16.4155 -12.4077 -12.4077 -12.4049 -12.4049 -10.2648 -10.2648 -10.2596 -10.2596 -7.3722 -7.3722 -7.2827 -7.2827 -6.3174 -6.3174 -6.2574 -6.2574 -5.9271 -5.9271 -5.9111 -5.9111 -5.5771 -5.5771 -5.5606 -5.5606 -4.1255 -4.1255 -3.9354 -3.9354 -3.8902 -3.8902 -3.8498 -3.8498 -2.8635 -2.8635 -2.7174 -2.7174 -0.9614 -0.9614 -0.7311 -0.7311 0.2971 0.2971 0.4235 0.4235 5.9496 5.9496 6.2102 6.2102 7.4859 7.4859 8.1664 8.1664 8.2121 8.2121 k = 0.0000 0.1299 0.3860 ( 6394 PWs) bands (ev): -17.2730 -17.2730 -17.2258 -17.2258 -16.5255 -16.5255 -16.4116 -16.4116 -12.4098 -12.4098 -12.4065 -12.4065 -10.2739 -10.2739 -10.2677 -10.2677 -7.3740 -7.3740 -7.2722 -7.2722 -6.3195 -6.3195 -6.2520 -6.2520 -5.9197 -5.9197 -5.9025 -5.9025 -5.5702 -5.5702 -5.5518 -5.5518 -4.1411 -4.1411 -3.9260 -3.9260 -3.8866 -3.8866 -3.8423 -3.8423 -2.8786 -2.8786 -2.7134 -2.7134 -0.9833 -0.9833 -0.7239 -0.7239 0.2971 0.2971 0.4371 0.4371 5.9331 5.9331 6.2296 6.2296 7.3972 7.3972 8.1651 8.1651 8.2181 8.2181 k = 0.0000 0.1461 0.3860 ( 6396 PWs) bands (ev): -17.2717 -17.2717 -17.2190 -17.2190 -16.5356 -16.5356 -16.4082 -16.4082 -12.4122 -12.4122 -12.4082 -12.4082 -10.2838 -10.2838 -10.2766 -10.2766 -7.3752 -7.3752 -7.2613 -7.2613 -6.3212 -6.3212 -6.2468 -6.2468 -5.9112 -5.9112 -5.8933 -5.8933 -5.5624 -5.5624 -5.5424 -5.5424 -4.1566 -4.1566 -3.9174 -3.9174 -3.8819 -3.8819 -3.8344 -3.8344 -2.8941 -2.8941 -2.7104 -2.7104 -1.0053 -1.0053 -0.7180 -0.7180 0.2985 0.2985 0.4504 0.4504 5.9166 5.9166 6.2485 6.2485 7.3075 7.3075 8.1619 8.1619 8.2257 8.2257 k = 0.0000 0.1623 0.3860 ( 6404 PWs) bands (ev): -17.2699 -17.2699 -17.2120 -17.2120 -16.5458 -16.5458 -16.4053 -16.4053 -12.4147 -12.4147 -12.4101 -12.4101 -10.2946 -10.2946 -10.2862 -10.2862 -7.3759 -7.3759 -7.2500 -7.2500 -6.3225 -6.3225 -6.2418 -6.2418 -5.9019 -5.9019 -5.8837 -5.8837 -5.5540 -5.5540 -5.5324 -5.5324 -4.1718 -4.1718 -3.9096 -3.9096 -3.8762 -3.8762 -3.8262 -3.8262 -2.9098 -2.9098 -2.7083 -2.7083 -1.0270 -1.0270 -0.7134 -0.7134 0.3013 0.3013 0.4634 0.4634 5.9000 5.9000 6.2667 6.2667 7.2180 7.2180 8.1575 8.1575 8.2348 8.2348 k = 0.0000 0.1786 0.3860 ( 6400 PWs) bands (ev): -17.2677 -17.2677 -17.2046 -17.2046 -16.5561 -16.5561 -16.4029 -16.4029 -12.4174 -12.4174 -12.4120 -12.4120 -10.3060 -10.3060 -10.2964 -10.2964 -7.3762 -7.3762 -7.2385 -7.2385 -6.3235 -6.3235 -6.2372 -6.2372 -5.8918 -5.8918 -5.8737 -5.8737 -5.5448 -5.5448 -5.5220 -5.5220 -4.1866 -4.1866 -3.9027 -3.9027 -3.8695 -3.8695 -3.8176 -3.8176 -2.9257 -2.9257 -2.7071 -2.7071 -1.0485 -1.0485 -0.7099 -0.7099 0.3053 0.3053 0.4760 0.4760 5.8829 5.8829 6.2844 6.2844 7.1295 7.1295 8.1524 8.1524 8.2452 8.2452 k = 0.0000 0.1948 0.3860 ( 6404 PWs) bands (ev): -17.2651 -17.2651 -17.1971 -17.1971 -16.5666 -16.5666 -16.4009 -16.4009 -12.4203 -12.4203 -12.4140 -12.4140 -10.3181 -10.3181 -10.3070 -10.3070 -7.3759 -7.3759 -7.2267 -7.2267 -6.3241 -6.3241 -6.2329 -6.2329 -5.8809 -5.8809 -5.8634 -5.8634 -5.5351 -5.5351 -5.5113 -5.5113 -4.2009 -4.2009 -3.8967 -3.8967 -3.8618 -3.8618 -3.8088 -3.8088 -2.9416 -2.9416 -2.7069 -2.7069 -1.0696 -1.0696 -0.7074 -0.7074 0.3105 0.3105 0.4879 0.4879 5.8653 5.8653 6.3011 6.3011 7.0431 7.0431 8.1470 8.1470 8.2570 8.2570 k = 0.0000 0.2110 0.3860 ( 6409 PWs) bands (ev): -17.2620 -17.2620 -17.1895 -17.1895 -16.5770 -16.5770 -16.3994 -16.3994 -12.4233 -12.4233 -12.4160 -12.4160 -10.3306 -10.3306 -10.3181 -10.3181 -7.3752 -7.3752 -7.2148 -7.2148 -6.3244 -6.3244 -6.2292 -6.2292 -5.8693 -5.8693 -5.8530 -5.8530 -5.5250 -5.5250 -5.5005 -5.5005 -4.2146 -4.2146 -3.8916 -3.8916 -3.8531 -3.8531 -3.7998 -3.7998 -2.9576 -2.9576 -2.7075 -2.7075 -1.0900 -1.0900 -0.7059 -0.7059 0.3168 0.3168 0.4992 0.4992 5.8467 5.8467 6.3170 6.3170 6.9596 6.9596 8.1416 8.1416 8.2699 8.2699 k = 0.0000 0.2273 0.3860 ( 6394 PWs) bands (ev): -17.2586 -17.2586 -17.1818 -17.1818 -16.5873 -16.5873 -16.3984 -16.3984 -12.4263 -12.4263 -12.4179 -12.4179 -10.3434 -10.3434 -10.3292 -10.3292 -7.3742 -7.3742 -7.2027 -7.2027 -6.3242 -6.3242 -6.2260 -6.2260 -5.8573 -5.8573 -5.8425 -5.8425 -5.5145 -5.5145 -5.4897 -5.4897 -4.2275 -4.2275 -3.8874 -3.8874 -3.8435 -3.8435 -3.7906 -3.7906 -2.9734 -2.9734 -2.7089 -2.7089 -1.1098 -1.1098 -0.7051 -0.7051 0.3241 0.3241 0.5096 0.5096 5.8270 5.8270 6.3319 6.3319 6.8799 6.8799 8.1367 8.1367 8.2837 8.2837 k = 0.0000 0.2435 0.3860 ( 6394 PWs) bands (ev): -17.2548 -17.2548 -17.1742 -17.1742 -16.5975 -16.5975 -16.3978 -16.3978 -12.4295 -12.4295 -12.4198 -12.4198 -10.3565 -10.3565 -10.3405 -10.3405 -7.3728 -7.3728 -7.1905 -7.1905 -6.3237 -6.3237 -6.2234 -6.2234 -5.8448 -5.8448 -5.8320 -5.8320 -5.5038 -5.5038 -5.4790 -5.4790 -4.2395 -4.2395 -3.8841 -3.8841 -3.8330 -3.8330 -3.7815 -3.7815 -2.9891 -2.9891 -2.7111 -2.7111 -1.1288 -1.1288 -0.7049 -0.7049 0.3323 0.3323 0.5191 0.5191 5.8059 5.8059 6.3458 6.3458 6.8048 6.8048 8.1326 8.1326 8.2982 8.2982 k = 0.0000 0.2597 0.3860 ( 6398 PWs) bands (ev): -17.2506 -17.2506 -17.1667 -17.1667 -16.6075 -16.6075 -16.3976 -16.3976 -12.4328 -12.4328 -12.4216 -12.4216 -10.3698 -10.3698 -10.3517 -10.3517 -7.3712 -7.3712 -7.1784 -7.1784 -6.3228 -6.3228 -6.2217 -6.2217 -5.8321 -5.8321 -5.8216 -5.8216 -5.4930 -5.4930 -5.4686 -5.4686 -4.2507 -4.2507 -3.8816 -3.8816 -3.8216 -3.8216 -3.7724 -3.7724 -3.0045 -3.0045 -2.7141 -2.7141 -1.1468 -1.1468 -0.7054 -0.7054 0.3413 0.3413 0.5275 0.5275 5.7829 5.7829 6.3586 6.3586 6.7351 6.7351 8.1296 8.1296 8.3130 8.3130 k = 0.0000 0.2759 0.3860 ( 6398 PWs) bands (ev): -17.2462 -17.2462 -17.1594 -17.1594 -16.6172 -16.6172 -16.3979 -16.3979 -12.4361 -12.4361 -12.4233 -12.4233 -10.3831 -10.3831 -10.3628 -10.3628 -7.3693 -7.3693 -7.1664 -7.1664 -6.3214 -6.3214 -6.2207 -6.2207 -5.8192 -5.8192 -5.8114 -5.8114 -5.4822 -5.4822 -5.4586 -5.4586 -4.2607 -4.2607 -3.8799 -3.8799 -3.8095 -3.8095 -3.7635 -3.7635 -3.0197 -3.0197 -2.7177 -2.7177 -1.1638 -1.1638 -0.7062 -0.7062 0.3510 0.3510 0.5349 0.5349 5.7580 5.7580 6.3705 6.3705 6.6714 6.6714 8.1279 8.1279 8.3280 8.3280 k = 0.0000 0.2922 0.3860 ( 6400 PWs) bands (ev): -17.2414 -17.2414 -17.1524 -17.1524 -16.6264 -16.6264 -16.3986 -16.3986 -12.4395 -12.4395 -12.4248 -12.4248 -10.3962 -10.3962 -10.3735 -10.3735 -7.3673 -7.3673 -7.1546 -7.1546 -6.3195 -6.3195 -6.2207 -6.2207 -5.8063 -5.8063 -5.8015 -5.8015 -5.4714 -5.4714 -5.4492 -5.4492 -4.2697 -4.2697 -3.8791 -3.8791 -3.7967 -3.7967 -3.7550 -3.7550 -3.0345 -3.0345 -2.7219 -2.7219 -1.1796 -1.1796 -0.7074 -0.7074 0.3613 0.3613 0.5410 0.5410 5.7309 5.7309 6.3814 6.3814 6.6143 6.6143 8.1276 8.1276 8.3406 8.3407 k = 0.0000 0.3084 0.3860 ( 6398 PWs) bands (ev): -17.2365 -17.2365 -17.1459 -17.1459 -16.6350 -16.6350 -16.3997 -16.3997 -12.4429 -12.4429 -12.4262 -12.4262 -10.4091 -10.4091 -10.3838 -10.3838 -7.3651 -7.3651 -7.1430 -7.1430 -6.3172 -6.3172 -6.2216 -6.2216 -5.7934 -5.7934 -5.7920 -5.7920 -5.4608 -5.4608 -5.4404 -5.4404 -4.2774 -4.2774 -3.8789 -3.8789 -3.7833 -3.7833 -3.7468 -3.7468 -3.0488 -3.0488 -2.7268 -2.7268 -1.1941 -1.1941 -0.7088 -0.7088 0.3721 0.3721 0.5458 0.5458 5.7016 5.7016 6.3915 6.3915 6.5642 6.5642 8.1290 8.1290 8.3174 8.3174 k = 0.0000 0.3246 0.3860 ( 6392 PWs) bands (ev): -17.2312 -17.2312 -17.1399 -17.1399 -16.6430 -16.6430 -16.4011 -16.4011 -12.4463 -12.4463 -12.4273 -12.4273 -10.4218 -10.4218 -10.3936 -10.3936 -7.3629 -7.3629 -7.1318 -7.1318 -6.3142 -6.3142 -6.2236 -6.2236 -5.7830 -5.7830 -5.7808 -5.7808 -5.4505 -5.4505 -5.4323 -5.4323 -4.2839 -4.2839 -3.8795 -3.8795 -3.7694 -3.7694 -3.7392 -3.7392 -3.0626 -3.0626 -2.7321 -2.7321 -1.2073 -1.2073 -0.7104 -0.7104 0.3833 0.3833 0.5493 0.5493 5.6703 5.6703 6.4010 6.4010 6.5213 6.5213 8.1316 8.1316 8.2929 8.2929 k = 0.0000 0.3409 0.3860 ( 6390 PWs) bands (ev): -17.2258 -17.2258 -17.1347 -17.1347 -16.6501 -16.6501 -16.4030 -16.4030 -12.4497 -12.4497 -12.4282 -12.4282 -10.4340 -10.4340 -10.4027 -10.4027 -7.3607 -7.3607 -7.1210 -7.1210 -6.3108 -6.3108 -6.2265 -6.2265 -5.7745 -5.7745 -5.7686 -5.7686 -5.4406 -5.4406 -5.4252 -5.4252 -4.2892 -4.2892 -3.8807 -3.8807 -3.7551 -3.7551 -3.7323 -3.7323 -3.0759 -3.0759 -2.7378 -2.7378 -1.2191 -1.2191 -0.7121 -0.7121 0.3949 0.3949 0.5515 0.5515 5.6372 5.6372 6.4101 6.4101 6.4857 6.4857 8.1351 8.1351 8.2685 8.2685 k = 0.0000 0.3571 0.3860 ( 6390 PWs) bands (ev): -17.2203 -17.2203 -17.1303 -17.1303 -16.6563 -16.6563 -16.4052 -16.4052 -12.4531 -12.4531 -12.4288 -12.4288 -10.4457 -10.4457 -10.4111 -10.4111 -7.3585 -7.3585 -7.1107 -7.1107 -6.3067 -6.3067 -6.2306 -6.2306 -5.7665 -5.7665 -5.7568 -5.7568 -5.4310 -5.4310 -5.4189 -5.4189 -4.2931 -4.2931 -3.8826 -3.8826 -3.7405 -3.7405 -3.7261 -3.7261 -3.0884 -3.0884 -2.7439 -2.7439 -1.2294 -1.2294 -0.7138 -0.7138 0.4067 0.4067 0.5522 0.5522 5.6028 5.6028 6.4190 6.4190 6.4572 6.4572 8.1377 8.1377 8.2466 8.2466 k = 0.0000 0.3733 0.3860 ( 6385 PWs) bands (ev): -17.2146 -17.2146 -17.1269 -17.1269 -16.6615 -16.6615 -16.4077 -16.4077 -12.4565 -12.4565 -12.4291 -12.4291 -10.4568 -10.4568 -10.4187 -10.4187 -7.3564 -7.3564 -7.1010 -7.1010 -6.3019 -6.3019 -6.2357 -6.2357 -5.7592 -5.7592 -5.7456 -5.7456 -5.4220 -5.4220 -5.4136 -5.4136 -4.2957 -4.2957 -3.8851 -3.8851 -3.7257 -3.7257 -3.7208 -3.7208 -3.1003 -3.1003 -2.7502 -2.7502 -1.2381 -1.2381 -0.7154 -0.7154 0.4188 0.4188 0.5515 0.5515 5.5678 5.5678 6.4280 6.4280 6.4355 6.4355 8.1363 8.1363 8.2312 8.2312 k = 0.0000 0.3896 0.3860 ( 6385 PWs) bands (ev): -17.2088 -17.2088 -17.1246 -17.1246 -16.6654 -16.6654 -16.4105 -16.4105 -12.4599 -12.4599 -12.4291 -12.4291 -10.4672 -10.4672 -10.4253 -10.4253 -7.3544 -7.3544 -7.0920 -7.0920 -6.2965 -6.2965 -6.2420 -6.2420 -5.7527 -5.7527 -5.7350 -5.7350 -5.4135 -5.4135 -5.4095 -5.4095 -4.2970 -4.2970 -3.8882 -3.8882 -3.7165 -3.7165 -3.7108 -3.7108 -3.1114 -3.1114 -2.7567 -2.7567 -1.2453 -1.2453 -0.7170 -0.7170 0.4310 0.4310 0.5493 0.5493 5.5326 5.5326 6.4202 6.4202 6.4375 6.4375 8.1272 8.1272 8.2265 8.2265 k = 0.0000 0.4058 0.3860 ( 6383 PWs) bands (ev): -17.2029 -17.2029 -17.1235 -17.1235 -16.6681 -16.6681 -16.4136 -16.4136 -12.4632 -12.4632 -12.4288 -12.4288 -10.4769 -10.4769 -10.4309 -10.4309 -7.3527 -7.3527 -7.0838 -7.0838 -6.2903 -6.2903 -6.2493 -6.2493 -5.7469 -5.7469 -5.7253 -5.7253 -5.4066 -5.4066 -5.4053 -5.4053 -4.2970 -4.2970 -3.8919 -3.8919 -3.7132 -3.7132 -3.6960 -3.6960 -3.1217 -3.1217 -2.7634 -2.7634 -1.2507 -1.2507 -0.7185 -0.7185 0.4433 0.4433 0.5457 0.5457 5.4980 5.4980 6.4109 6.4109 6.4477 6.4477 8.1106 8.1106 8.2327 8.2327 k = 0.0000 0.4220 0.3860 ( 6384 PWs) bands (ev): -17.1971 -17.1971 -17.1236 -17.1236 -16.6695 -16.6695 -16.4169 -16.4169 -12.4664 -12.4664 -12.4281 -12.4281 -10.4857 -10.4857 -10.4354 -10.4354 -7.3512 -7.3512 -7.0764 -7.0764 -6.2833 -6.2833 -6.2576 -6.2576 -5.7420 -5.7420 -5.7165 -5.7165 -5.4045 -5.4045 -5.3981 -5.3981 -4.2958 -4.2958 -3.8962 -3.8962 -3.7110 -3.7110 -3.6813 -3.6813 -3.1311 -3.1311 -2.7700 -2.7700 -1.2545 -1.2545 -0.7198 -0.7198 0.4557 0.4557 0.5406 0.5406 5.4646 5.4646 6.4073 6.4073 6.4589 6.4589 8.0901 8.0901 8.2466 8.2466 k = 0.0000 0.4383 0.3860 ( 6383 PWs) bands (ev): -17.1912 -17.1912 -17.1251 -17.1251 -16.6695 -16.6695 -16.4205 -16.4205 -12.4696 -12.4696 -12.4271 -12.4271 -10.4936 -10.4936 -10.4388 -10.4388 -7.3500 -7.3500 -7.0698 -7.0698 -6.2757 -6.2757 -6.2669 -6.2669 -5.7380 -5.7380 -5.7087 -5.7087 -5.4037 -5.4037 -5.3915 -5.3915 -4.2933 -4.2933 -3.9010 -3.9010 -3.7100 -3.7100 -3.6670 -3.6670 -3.1394 -3.1394 -2.7765 -2.7765 -1.2566 -1.2566 -0.7210 -0.7210 0.4680 0.4680 0.5340 0.5340 5.4330 5.4330 6.4089 6.4089 6.4715 6.4715 8.0686 8.0686 8.2653 8.2653 k = 0.0000 0.4383 0.3860 ( 6383 PWs) bands (ev): -17.1912 -17.1912 -17.1251 -17.1251 -16.6695 -16.6695 -16.4205 -16.4205 -12.4696 -12.4696 -12.4271 -12.4271 -10.4936 -10.4936 -10.4388 -10.4388 -7.3500 -7.3500 -7.0698 -7.0698 -6.2757 -6.2757 -6.2669 -6.2669 -5.7380 -5.7380 -5.7087 -5.7087 -5.4037 -5.4037 -5.3915 -5.3915 -4.2933 -4.2933 -3.9010 -3.9010 -3.7100 -3.7100 -3.6670 -3.6670 -3.1394 -3.1394 -2.7765 -2.7765 -1.2566 -1.2566 -0.7210 -0.7210 0.4680 0.4680 0.5340 0.5340 5.4330 5.4330 6.4089 6.4089 6.4715 6.4715 8.0686 8.0686 8.2653 8.2653 k = 0.0000 0.4439 0.3704 ( 6396 PWs) bands (ev): -17.1909 -17.1909 -17.1252 -17.1252 -16.6637 -16.6637 -16.4263 -16.4263 -12.4681 -12.4681 -12.4296 -12.4296 -10.4921 -10.4921 -10.4420 -10.4420 -7.3421 -7.3421 -7.0787 -7.0787 -6.2814 -6.2814 -6.2658 -6.2658 -5.7337 -5.7337 -5.7055 -5.7055 -5.4004 -5.4004 -5.3916 -5.3916 -4.2843 -4.2843 -3.9115 -3.9115 -3.7026 -3.7026 -3.6642 -3.6642 -3.1389 -3.1389 -2.7934 -2.7934 -1.2359 -1.2359 -0.7267 -0.7267 0.4593 0.4593 0.5314 0.5314 5.4590 5.4590 6.4160 6.4160 6.4367 6.4367 8.0032 8.0032 8.2803 8.2803 k = 0.0000 0.4495 0.3548 ( 6392 PWs) bands (ev): -17.1902 -17.1902 -17.1261 -17.1261 -16.6569 -16.6569 -16.4329 -16.4329 -12.4666 -12.4666 -12.4320 -12.4320 -10.4905 -10.4905 -10.4451 -10.4451 -7.3338 -7.3338 -7.0881 -7.0881 -6.2865 -6.2865 -6.2656 -6.2656 -5.7293 -5.7293 -5.7025 -5.7025 -5.3976 -5.3976 -5.3916 -5.3916 -4.2739 -4.2739 -3.9231 -3.9231 -3.6955 -3.6955 -3.6611 -3.6611 -3.1376 -3.1376 -2.8115 -2.8115 -1.2135 -1.2135 -0.7336 -0.7336 0.4515 0.4515 0.5277 0.5277 5.4855 5.4855 6.3612 6.3612 6.4701 6.4701 7.9346 7.9346 8.2948 8.2948 k = 0.0000 0.4550 0.3393 ( 6385 PWs) bands (ev): -17.1892 -17.1892 -17.1277 -17.1277 -16.6491 -16.6491 -16.4401 -16.4401 -12.4652 -12.4652 -12.4343 -12.4343 -10.4888 -10.4888 -10.4479 -10.4479 -7.3249 -7.3249 -7.0980 -7.0980 -6.2907 -6.2907 -6.2663 -6.2663 -5.7249 -5.7249 -5.6997 -5.6997 -5.3952 -5.3952 -5.3916 -5.3916 -4.2623 -4.2623 -3.9356 -3.9356 -3.6887 -3.6887 -3.6577 -3.6577 -3.1353 -3.1353 -2.8305 -2.8305 -1.1896 -1.1896 -0.7418 -0.7418 0.4446 0.4446 0.5229 0.5229 5.5126 5.5126 6.3072 6.3072 6.5089 6.5089 7.8640 7.8640 8.3077 8.3077 k = 0.0000 0.4606 0.3237 ( 6382 PWs) bands (ev): -17.1878 -17.1878 -17.1299 -17.1299 -16.6404 -16.6404 -16.4480 -16.4480 -12.4638 -12.4638 -12.4365 -12.4365 -10.4871 -10.4871 -10.4506 -10.4506 -7.3156 -7.3156 -7.1085 -7.1085 -6.2942 -6.2942 -6.2676 -6.2676 -5.7205 -5.7205 -5.6972 -5.6972 -5.3932 -5.3932 -5.3915 -5.3915 -4.2495 -4.2495 -3.9492 -3.9492 -3.6822 -3.6822 -3.6543 -3.6543 -3.1319 -3.1319 -2.8504 -2.8504 -1.1643 -1.1643 -0.7515 -0.7515 0.4389 0.4389 0.5172 0.5172 5.5403 5.5403 6.2542 6.2542 6.5528 6.5528 7.7917 7.7917 8.3188 8.3188 k = 0.0000 0.4662 0.3081 ( 6386 PWs) bands (ev): -17.1861 -17.1861 -17.1325 -17.1325 -16.6310 -16.6310 -16.4565 -16.4565 -12.4625 -12.4625 -12.4386 -12.4386 -10.4853 -10.4853 -10.4532 -10.4532 -7.3058 -7.3058 -7.1194 -7.1194 -6.2969 -6.2969 -6.2696 -6.2696 -5.7163 -5.7163 -5.6951 -5.6951 -5.3918 -5.3918 -5.3912 -5.3912 -4.2356 -4.2356 -3.9636 -3.9636 -3.6760 -3.6760 -3.6510 -3.6510 -3.1272 -3.1272 -2.8709 -2.8709 -1.1379 -1.1379 -0.7629 -0.7629 0.4345 0.4345 0.5107 0.5107 5.5687 5.5687 6.2023 6.2023 6.6015 6.6015 7.7182 7.7182 8.3279 8.3279 k = 0.0000 0.4718 0.2926 ( 6386 PWs) bands (ev): -17.1841 -17.1841 -17.1356 -17.1356 -16.6209 -16.6209 -16.4655 -16.4655 -12.4612 -12.4612 -12.4406 -12.4406 -10.4835 -10.4835 -10.4556 -10.4556 -7.2956 -7.2956 -7.1307 -7.1307 -6.2989 -6.2989 -6.2720 -6.2720 -5.7123 -5.7123 -5.6932 -5.6932 -5.3912 -5.3912 -5.3903 -5.3903 -4.2207 -4.2207 -3.9788 -3.9788 -3.6702 -3.6702 -3.6479 -3.6479 -3.1210 -3.1210 -2.8918 -2.8918 -1.1107 -1.1107 -0.7760 -0.7760 0.4314 0.4314 0.5035 0.5035 5.5980 5.5980 6.1517 6.1517 6.6546 6.6546 7.6436 7.6436 8.3353 8.3353 k = 0.0000 0.4774 0.2770 ( 6386 PWs) bands (ev): -17.1818 -17.1818 -17.1390 -17.1390 -16.6102 -16.6102 -16.4751 -16.4751 -12.4599 -12.4599 -12.4424 -12.4424 -10.4817 -10.4817 -10.4580 -10.4580 -7.2851 -7.2851 -7.1423 -7.1423 -6.3001 -6.3001 -6.2749 -6.2749 -5.7085 -5.7085 -5.6918 -5.6918 -5.3909 -5.3909 -5.3894 -5.3894 -4.2050 -4.2050 -3.9947 -3.9947 -3.6648 -3.6648 -3.6453 -3.6453 -3.1133 -3.1133 -2.9130 -2.9130 -1.0829 -1.0829 -0.7910 -0.7910 0.4299 0.4299 0.4958 0.4958 5.6283 5.6283 6.1023 6.1023 6.7117 6.7117 7.5684 7.5684 8.3410 8.3410 k = 0.0000 0.4830 0.2615 ( 6379 PWs) bands (ev): -17.1791 -17.1791 -17.1427 -17.1427 -16.5992 -16.5992 -16.4852 -16.4852 -12.4586 -12.4586 -12.4442 -12.4442 -10.4798 -10.4798 -10.4602 -10.4602 -7.2741 -7.2741 -7.1542 -7.1542 -6.3005 -6.3005 -6.2780 -6.2780 -5.7049 -5.7049 -5.6907 -5.6907 -5.3906 -5.3906 -5.3889 -5.3889 -4.1886 -4.1886 -4.0113 -4.0113 -3.6599 -3.6599 -3.6432 -3.6432 -3.1040 -3.1040 -2.9342 -2.9342 -1.0547 -1.0547 -0.8078 -0.8078 0.4298 0.4298 0.4878 0.4878 5.6597 5.6597 6.0543 6.0543 6.7724 6.7724 7.4926 7.4926 8.3453 8.3453 k = 0.0000 0.4886 0.2459 ( 6372 PWs) bands (ev): -17.1762 -17.1762 -17.1465 -17.1465 -16.5878 -16.5878 -16.4957 -16.4957 -12.4573 -12.4573 -12.4459 -12.4459 -10.4779 -10.4779 -10.4623 -10.4623 -7.2628 -7.2628 -7.1663 -7.1663 -6.3003 -6.3003 -6.2813 -6.2813 -5.7016 -5.7016 -5.6901 -5.6901 -5.3903 -5.3903 -5.3885 -5.3885 -4.1716 -4.1716 -4.0284 -4.0284 -3.6554 -3.6554 -3.6417 -3.6417 -3.0930 -3.0930 -2.9553 -2.9553 -1.0264 -1.0264 -0.8264 -0.8264 0.4311 0.4311 0.4796 0.4796 5.6924 5.6924 6.0078 6.0078 6.8363 6.8363 7.4166 7.4166 8.3485 8.3485 k = 0.0000 0.4942 0.2303 ( 6379 PWs) bands (ev): -17.1730 -17.1730 -17.1504 -17.1504 -16.5761 -16.5761 -16.5065 -16.5065 -12.4560 -12.4560 -12.4475 -12.4475 -10.4761 -10.4761 -10.4644 -10.4644 -7.2513 -7.2513 -7.1785 -7.1785 -6.2994 -6.2994 -6.2846 -6.2846 -5.6987 -5.6987 -5.6900 -5.6900 -5.3899 -5.3899 -5.3884 -5.3884 -4.1541 -4.1541 -4.0459 -4.0459 -3.6514 -3.6514 -3.6410 -3.6410 -3.0804 -3.0804 -2.9760 -2.9760 -0.9983 -0.9983 -0.8469 -0.8469 0.4338 0.4338 0.4714 0.4714 5.7264 5.7264 5.9628 5.9628 6.9030 6.9030 7.3407 7.3407 8.3507 8.3507 k = 0.0000 0.4998 0.2148 ( 6375 PWs) bands (ev): -17.1696 -17.1696 -17.1544 -17.1544 -16.5644 -16.5644 -16.5177 -16.5177 -12.4547 -12.4547 -12.4491 -12.4491 -10.4742 -10.4742 -10.4664 -10.4664 -7.2395 -7.2395 -7.1908 -7.1908 -6.2980 -6.2980 -6.2878 -6.2878 -5.6961 -5.6961 -5.6903 -5.6903 -5.3895 -5.3895 -5.3884 -5.3884 -4.1362 -4.1362 -4.0637 -4.0637 -3.6480 -3.6480 -3.6409 -3.6409 -3.0662 -3.0662 -2.9960 -2.9960 -0.9706 -0.9706 -0.8690 -0.8690 0.4378 0.4378 0.4635 0.4635 5.7619 5.7619 5.9194 5.9194 6.9721 6.9721 7.2650 7.2650 8.3522 8.3522 k = 0.0000 0.5054 0.1992 ( 6378 PWs) bands (ev): -17.1660 -17.1660 -17.1584 -17.1584 -16.5526 -16.5526 -16.5292 -16.5292 -12.4534 -12.4534 -12.4506 -12.4506 -10.4723 -10.4723 -10.4684 -10.4684 -7.2274 -7.2274 -7.2031 -7.2031 -6.2960 -6.2960 -6.2908 -6.2908 -5.6940 -5.6940 -5.6910 -5.6910 -5.3892 -5.3892 -5.3886 -5.3886 -4.1182 -4.1182 -4.0818 -4.0818 -3.6452 -3.6452 -3.6417 -3.6417 -3.0505 -3.0505 -3.0153 -3.0153 -0.9436 -0.9436 -0.8926 -0.8926 0.4429 0.4429 0.4560 0.4560 5.7989 5.7989 5.8777 5.8777 7.0433 7.0433 7.1900 7.1900 8.3533 8.3534 k = 0.0000 0.5110 0.1836 ( 6374 PWs) bands (ev): -17.1623 -17.1623 -17.1623 -17.1623 -16.5408 -16.5408 -16.5408 -16.5408 -12.4520 -12.4520 -12.4520 -12.4520 -10.4704 -10.4704 -10.4704 -10.4704 -7.2153 -7.2153 -7.2153 -7.2153 -6.2936 -6.2936 -6.2936 -6.2936 -5.6923 -5.6923 -5.6923 -5.6923 -5.3888 -5.3888 -5.3888 -5.3888 -4.1000 -4.1000 -4.1000 -4.1000 -3.6431 -3.6431 -3.6431 -3.6431 -3.0335 -3.0335 -3.0335 -3.0335 -0.9175 -0.9175 -0.9175 -0.9175 0.4490 0.4490 0.4490 0.4490 5.8375 5.8375 5.8375 5.8375 7.1160 7.1160 7.1160 7.1160 8.3541 8.3541 k = 0.0000 0.5110 0.1836 ( 6374 PWs) bands (ev): -17.1623 -17.1623 -17.1623 -17.1623 -16.5408 -16.5408 -16.5408 -16.5408 -12.4520 -12.4520 -12.4520 -12.4520 -10.4704 -10.4704 -10.4704 -10.4704 -7.2153 -7.2153 -7.2153 -7.2153 -6.2936 -6.2936 -6.2936 -6.2936 -5.6923 -5.6923 -5.6923 -5.6923 -5.3888 -5.3888 -5.3888 -5.3888 -4.1000 -4.1000 -4.1000 -4.1000 -3.6431 -3.6431 -3.6431 -3.6431 -3.0335 -3.0335 -3.0335 -3.0335 -0.9175 -0.9175 -0.9175 -0.9175 0.4490 0.4490 0.4490 0.4490 5.8375 5.8375 5.8375 5.8375 7.1160 7.1160 7.1160 7.1160 8.3541 8.3541 k = 0.0161 0.5110 0.1836 ( 6372 PWs) bands (ev): -17.1622 -17.1622 -17.1622 -17.1622 -16.5408 -16.5408 -16.5408 -16.5408 -12.4521 -12.4521 -12.4521 -12.4521 -10.4705 -10.4705 -10.4705 -10.4705 -7.2157 -7.2157 -7.2157 -7.2157 -6.2933 -6.2933 -6.2933 -6.2933 -5.6923 -5.6923 -5.6923 -5.6923 -5.3887 -5.3887 -5.3887 -5.3887 -4.0996 -4.0996 -4.0995 -4.0995 -3.6433 -3.6433 -3.6432 -3.6432 -3.0330 -3.0330 -3.0329 -3.0329 -0.9179 -0.9179 -0.9178 -0.9178 0.4492 0.4492 0.4492 0.4492 5.8385 5.8385 5.8385 5.8385 7.1166 7.1166 7.1166 7.1166 8.3475 8.3475 k = 0.0323 0.5110 0.1836 ( 6368 PWs) bands (ev): -17.1620 -17.1620 -17.1620 -17.1620 -16.5409 -16.5409 -16.5409 -16.5409 -12.4523 -12.4523 -12.4523 -12.4523 -10.4709 -10.4709 -10.4709 -10.4709 -7.2169 -7.2169 -7.2169 -7.2169 -6.2925 -6.2925 -6.2925 -6.2925 -5.6925 -5.6925 -5.6925 -5.6925 -5.3882 -5.3882 -5.3882 -5.3882 -4.0984 -4.0984 -4.0983 -4.0983 -3.6440 -3.6440 -3.6438 -3.6438 -3.0315 -3.0315 -3.0313 -3.0313 -0.9189 -0.9189 -0.9188 -0.9188 0.4496 0.4496 0.4497 0.4497 5.8416 5.8416 5.8416 5.8416 7.1183 7.1183 7.1183 7.1183 8.3283 8.3283 k = 0.0484 0.5110 0.1836 ( 6378 PWs) bands (ev): -17.1616 -17.1616 -17.1616 -17.1616 -16.5411 -16.5411 -16.5411 -16.5411 -12.4526 -12.4526 -12.4526 -12.4526 -10.4717 -10.4717 -10.4716 -10.4716 -7.2189 -7.2189 -7.2189 -7.2189 -6.2911 -6.2911 -6.2911 -6.2911 -5.6928 -5.6928 -5.6927 -5.6927 -5.3874 -5.3874 -5.3874 -5.3874 -4.0964 -4.0964 -4.0963 -4.0963 -3.6451 -3.6451 -3.6448 -3.6448 -3.0291 -3.0291 -3.0288 -3.0288 -0.9205 -0.9205 -0.9203 -0.9203 0.4503 0.4503 0.4504 0.4504 5.8467 5.8467 5.8468 5.8468 7.1210 7.1210 7.1210 7.1210 8.2985 8.2985 k = 0.0645 0.5110 0.1836 ( 6382 PWs) bands (ev): -17.1611 -17.1611 -17.1611 -17.1611 -16.5413 -16.5413 -16.5413 -16.5413 -12.4531 -12.4531 -12.4531 -12.4531 -10.4726 -10.4726 -10.4726 -10.4726 -7.2217 -7.2217 -7.2217 -7.2217 -6.2892 -6.2892 -6.2892 -6.2892 -5.6931 -5.6931 -5.6931 -5.6931 -5.3864 -5.3864 -5.3864 -5.3864 -4.0937 -4.0937 -4.0935 -4.0935 -3.6465 -3.6465 -3.6462 -3.6462 -3.0257 -3.0257 -3.0253 -3.0253 -0.9227 -0.9227 -0.9225 -0.9225 0.4513 0.4513 0.4514 0.4514 5.8539 5.8539 5.8540 5.8540 7.1249 7.1249 7.1249 7.1249 8.2603 8.2603 k = 0.0806 0.5110 0.1836 ( 6380 PWs) bands (ev): -17.1605 -17.1605 -17.1605 -17.1605 -16.5415 -16.5415 -16.5415 -16.5415 -12.4537 -12.4537 -12.4537 -12.4537 -10.4739 -10.4739 -10.4738 -10.4738 -7.2252 -7.2252 -7.2251 -7.2251 -6.2869 -6.2869 -6.2869 -6.2869 -5.6936 -5.6936 -5.6935 -5.6935 -5.3851 -5.3851 -5.3851 -5.3851 -4.0902 -4.0902 -4.0900 -4.0900 -3.6484 -3.6484 -3.6480 -3.6480 -3.0213 -3.0213 -3.0208 -3.0208 -0.9254 -0.9254 -0.9252 -0.9252 0.4525 0.4525 0.4527 0.4527 5.8631 5.8631 5.8632 5.8632 7.1299 7.1299 7.1299 7.1299 8.2159 8.2160 k = 0.0968 0.5110 0.1836 ( 6370 PWs) bands (ev): -17.1598 -17.1598 -17.1598 -17.1598 -16.5418 -16.5418 -16.5418 -16.5418 -12.4544 -12.4544 -12.4544 -12.4544 -10.4753 -10.4753 -10.4753 -10.4753 -7.2293 -7.2293 -7.2292 -7.2292 -6.2842 -6.2842 -6.2842 -6.2842 -5.6941 -5.6941 -5.6940 -5.6940 -5.3835 -5.3835 -5.3835 -5.3835 -4.0859 -4.0859 -4.0857 -4.0857 -3.6504 -3.6504 -3.6500 -3.6500 -3.0162 -3.0162 -3.0156 -3.0156 -0.9287 -0.9287 -0.9284 -0.9284 0.4539 0.4539 0.4542 0.4542 5.8743 5.8743 5.8745 5.8745 7.1358 7.1358 7.1358 7.1358 8.1672 8.1672 k = 0.1129 0.5110 0.1836 ( 6376 PWs) bands (ev): -17.1589 -17.1589 -17.1589 -17.1589 -16.5421 -16.5421 -16.5421 -16.5421 -12.4552 -12.4552 -12.4552 -12.4552 -10.4770 -10.4770 -10.4770 -10.4770 -7.2339 -7.2339 -7.2338 -7.2338 -6.2812 -6.2812 -6.2812 -6.2812 -5.6947 -5.6947 -5.6946 -5.6946 -5.3817 -5.3817 -5.3817 -5.3817 -4.0810 -4.0810 -4.0807 -4.0807 -3.6528 -3.6528 -3.6523 -3.6523 -3.0102 -3.0102 -3.0096 -3.0096 -0.9325 -0.9325 -0.9322 -0.9322 0.4556 0.4556 0.4559 0.4559 5.8874 5.8874 5.8876 5.8876 7.1427 7.1427 7.1427 7.1427 8.1155 8.1155 k = 0.1290 0.5110 0.1836 ( 6376 PWs) bands (ev): -17.1580 -17.1580 -17.1580 -17.1580 -16.5425 -16.5425 -16.5425 -16.5425 -12.4561 -12.4561 -12.4561 -12.4561 -10.4790 -10.4790 -10.4789 -10.4789 -7.2391 -7.2391 -7.2390 -7.2390 -6.2779 -6.2779 -6.2779 -6.2779 -5.6953 -5.6953 -5.6953 -5.6953 -5.3797 -5.3797 -5.3797 -5.3797 -4.0754 -4.0754 -4.0751 -4.0751 -3.6554 -3.6554 -3.6548 -3.6548 -3.0036 -3.0036 -3.0029 -3.0029 -0.9367 -0.9367 -0.9363 -0.9363 0.4574 0.4574 0.4578 0.4578 5.9025 5.9025 5.9027 5.9027 7.1504 7.1504 7.1504 7.1504 8.0618 8.0618 k = 0.1452 0.5110 0.1836 ( 6374 PWs) bands (ev): -17.1569 -17.1569 -17.1569 -17.1569 -16.5430 -16.5430 -16.5430 -16.5430 -12.4571 -12.4571 -12.4571 -12.4571 -10.4811 -10.4811 -10.4810 -10.4810 -7.2447 -7.2447 -7.2445 -7.2445 -6.2744 -6.2744 -6.2744 -6.2744 -5.6960 -5.6960 -5.6959 -5.6959 -5.3775 -5.3775 -5.3775 -5.3775 -4.0692 -4.0692 -4.0689 -4.0689 -3.6582 -3.6582 -3.6576 -3.6576 -2.9964 -2.9964 -2.9956 -2.9956 -0.9413 -0.9413 -0.9409 -0.9409 0.4594 0.4594 0.4598 0.4598 5.9194 5.9194 5.9196 5.9196 7.1588 7.1588 7.1588 7.1588 8.0070 8.0071 k = 0.1613 0.5110 0.1836 ( 6376 PWs) bands (ev): -17.1557 -17.1557 -17.1557 -17.1557 -16.5434 -16.5434 -16.5434 -16.5434 -12.4582 -12.4582 -12.4582 -12.4582 -10.4834 -10.4834 -10.4833 -10.4833 -7.2506 -7.2506 -7.2504 -7.2504 -6.2708 -6.2708 -6.2708 -6.2708 -5.6967 -5.6967 -5.6966 -5.6966 -5.3751 -5.3751 -5.3751 -5.3751 -4.0625 -4.0625 -4.0621 -4.0621 -3.6611 -3.6611 -3.6604 -3.6604 -2.9887 -2.9887 -2.9878 -2.9878 -0.9462 -0.9462 -0.9457 -0.9457 0.4615 0.4615 0.4619 0.4619 5.9380 5.9380 5.9383 5.9383 7.1677 7.1677 7.1677 7.1677 7.9519 7.9520 k = 0.1774 0.5110 0.1836 ( 6382 PWs) bands (ev): -17.1545 -17.1545 -17.1545 -17.1545 -16.5439 -16.5439 -16.5439 -16.5439 -12.4594 -12.4594 -12.4594 -12.4594 -10.4858 -10.4858 -10.4858 -10.4858 -7.2567 -7.2567 -7.2565 -7.2565 -6.2672 -6.2672 -6.2672 -6.2672 -5.6974 -5.6974 -5.6973 -5.6973 -5.3727 -5.3727 -5.3727 -5.3727 -4.0552 -4.0552 -4.0548 -4.0548 -3.6641 -3.6641 -3.6634 -3.6634 -2.9805 -2.9805 -2.9796 -2.9796 -0.9513 -0.9513 -0.9508 -0.9508 0.4637 0.4637 0.4641 0.4641 5.9584 5.9584 5.9587 5.9587 7.1769 7.1769 7.1769 7.1769 7.8971 7.8971 k = 0.1935 0.5110 0.1836 ( 6380 PWs) bands (ev): -17.1532 -17.1532 -17.1532 -17.1532 -16.5445 -16.5445 -16.5445 -16.5445 -12.4606 -12.4606 -12.4606 -12.4606 -10.4884 -10.4884 -10.4883 -10.4883 -7.2630 -7.2630 -7.2628 -7.2628 -6.2636 -6.2636 -6.2636 -6.2636 -5.6981 -5.6981 -5.6980 -5.6980 -5.3702 -5.3702 -5.3702 -5.3702 -4.0475 -4.0475 -4.0471 -4.0471 -3.6672 -3.6672 -3.6664 -3.6664 -2.9721 -2.9721 -2.9711 -2.9711 -0.9567 -0.9567 -0.9561 -0.9561 0.4659 0.4659 0.4664 0.4664 5.9805 5.9805 5.9808 5.9808 7.1860 7.1860 7.1860 7.1860 7.8432 7.8432 k = 0.2097 0.5110 0.1836 ( 6388 PWs) bands (ev): -17.1518 -17.1518 -17.1518 -17.1518 -16.5450 -16.5450 -16.5450 -16.5450 -12.4619 -12.4619 -12.4619 -12.4619 -10.4911 -10.4911 -10.4910 -10.4910 -7.2694 -7.2694 -7.2692 -7.2692 -6.2601 -6.2601 -6.2600 -6.2600 -5.6987 -5.6987 -5.6986 -5.6986 -5.3676 -5.3676 -5.3676 -5.3676 -4.0395 -4.0395 -4.0390 -4.0390 -3.6703 -3.6703 -3.6695 -3.6695 -2.9634 -2.9634 -2.9623 -2.9623 -0.9622 -0.9622 -0.9616 -0.9616 0.4682 0.4682 0.4687 0.4687 6.0042 6.0042 6.0045 6.0045 7.1943 7.1943 7.1943 7.1943 7.7910 7.7910 k = 0.2258 0.5110 0.1836 ( 6388 PWs) bands (ev): -17.1504 -17.1504 -17.1504 -17.1504 -16.5456 -16.5456 -16.5456 -16.5456 -12.4632 -12.4632 -12.4632 -12.4632 -10.4938 -10.4938 -10.4937 -10.4937 -7.2758 -7.2758 -7.2756 -7.2756 -6.2566 -6.2566 -6.2566 -6.2566 -5.6993 -5.6993 -5.6992 -5.6992 -5.3650 -5.3650 -5.3650 -5.3650 -4.0311 -4.0311 -4.0306 -4.0306 -3.6733 -3.6733 -3.6725 -3.6725 -2.9545 -2.9545 -2.9534 -2.9534 -0.9677 -0.9677 -0.9671 -0.9671 0.4705 0.4705 0.4710 0.4710 6.0294 6.0294 6.0297 6.0297 7.2013 7.2013 7.2013 7.2013 7.7413 7.7413 k = 0.2419 0.5110 0.1836 ( 6382 PWs) bands (ev): -17.1490 -17.1490 -17.1490 -17.1490 -16.5462 -16.5462 -16.5462 -16.5462 -12.4646 -12.4646 -12.4645 -12.4645 -10.4966 -10.4966 -10.4965 -10.4965 -7.2821 -7.2821 -7.2819 -7.2819 -6.2534 -6.2534 -6.2533 -6.2533 -5.6999 -5.6999 -5.6997 -5.6997 -5.3625 -5.3625 -5.3625 -5.3625 -4.0225 -4.0225 -4.0220 -4.0220 -3.6764 -3.6764 -3.6755 -3.6755 -2.9456 -2.9456 -2.9444 -2.9444 -0.9733 -0.9733 -0.9727 -0.9727 0.4727 0.4727 0.4733 0.4733 6.0561 6.0561 6.0564 6.0564 7.2059 7.2059 7.2059 7.2059 7.6953 7.6953 k = 0.2581 0.5110 0.1836 ( 6374 PWs) bands (ev): -17.1476 -17.1476 -17.1476 -17.1476 -16.5468 -16.5468 -16.5468 -16.5468 -12.4659 -12.4659 -12.4658 -12.4658 -10.4994 -10.4994 -10.4993 -10.4993 -7.2883 -7.2883 -7.2881 -7.2881 -6.2503 -6.2503 -6.2503 -6.2503 -5.7004 -5.7004 -5.7002 -5.7002 -5.3600 -5.3600 -5.3600 -5.3600 -4.0138 -4.0138 -4.0133 -4.0133 -3.6793 -3.6793 -3.6785 -3.6785 -2.9367 -2.9367 -2.9355 -2.9355 -0.9788 -0.9788 -0.9781 -0.9781 0.4749 0.4749 0.4755 0.4755 6.0842 6.0842 6.0845 6.0845 7.2066 7.2066 7.2066 7.2066 7.6543 7.6543 k = 0.2742 0.5110 0.1836 ( 6374 PWs) bands (ev): -17.1461 -17.1461 -17.1461 -17.1461 -16.5474 -16.5474 -16.5474 -16.5474 -12.4672 -12.4672 -12.4672 -12.4672 -10.5022 -10.5022 -10.5021 -10.5021 -7.2943 -7.2943 -7.2941 -7.2941 -6.2475 -6.2475 -6.2474 -6.2474 -5.7008 -5.7008 -5.7006 -5.7006 -5.3576 -5.3576 -5.3576 -5.3576 -4.0051 -4.0051 -4.0045 -4.0045 -3.6822 -3.6822 -3.6814 -3.6814 -2.9279 -2.9279 -2.9266 -2.9266 -0.9843 -0.9843 -0.9836 -0.9836 0.4770 0.4770 0.4776 0.4776 6.1136 6.1136 6.1139 6.1139 7.2020 7.2020 7.2020 7.2020 7.6200 7.6200 k = 0.2903 0.5110 0.1836 ( 6370 PWs) bands (ev): -17.1447 -17.1447 -17.1447 -17.1447 -16.5480 -16.5480 -16.5480 -16.5480 -12.4685 -12.4685 -12.4685 -12.4685 -10.5049 -10.5049 -10.5048 -10.5048 -7.3001 -7.3001 -7.2999 -7.2999 -6.2449 -6.2449 -6.2448 -6.2448 -5.7012 -5.7012 -5.7010 -5.7010 -5.3553 -5.3553 -5.3553 -5.3553 -3.9963 -3.9963 -3.9957 -3.9957 -3.6850 -3.6850 -3.6841 -3.6841 -2.9193 -2.9193 -2.9180 -2.9180 -0.9896 -0.9896 -0.9888 -0.9888 0.4790 0.4790 0.4797 0.4797 6.1443 6.1443 6.1446 6.1446 7.1904 7.1904 7.1905 7.1905 7.5938 7.5938 k = 0.3065 0.5110 0.1836 ( 6370 PWs) bands (ev): -17.1433 -17.1433 -17.1433 -17.1433 -16.5485 -16.5485 -16.5485 -16.5485 -12.4698 -12.4698 -12.4697 -12.4697 -10.5076 -10.5076 -10.5075 -10.5075 -7.3056 -7.3056 -7.3054 -7.3054 -6.2425 -6.2425 -6.2425 -6.2425 -5.7015 -5.7015 -5.7013 -5.7013 -5.3531 -5.3531 -5.3531 -5.3531 -3.9877 -3.9877 -3.9871 -3.9871 -3.6877 -3.6877 -3.6868 -3.6868 -2.9110 -2.9110 -2.9097 -2.9097 -0.9947 -0.9947 -0.9939 -0.9939 0.4809 0.4809 0.4816 0.4816 6.1762 6.1762 6.1765 6.1765 7.1710 7.1710 7.1712 7.1712 7.5767 7.5767 k = 0.3226 0.5110 0.1836 ( 6362 PWs) bands (ev): -17.1420 -17.1420 -17.1420 -17.1420 -16.5491 -16.5491 -16.5491 -16.5491 -12.4710 -12.4710 -12.4710 -12.4710 -10.5101 -10.5101 -10.5100 -10.5100 -7.3108 -7.3108 -7.3106 -7.3106 -6.2404 -6.2404 -6.2404 -6.2404 -5.7017 -5.7017 -5.7015 -5.7015 -5.3511 -5.3511 -5.3511 -5.3511 -3.9793 -3.9793 -3.9787 -3.9787 -3.6903 -3.6903 -3.6894 -3.6894 -2.9030 -2.9030 -2.9017 -2.9017 -0.9996 -0.9996 -0.9987 -0.9987 0.4828 0.4828 0.4835 0.4835 6.2092 6.2092 6.2095 6.2095 7.1440 7.1440 7.1442 7.1442 7.5682 7.5682 k = 0.3387 0.5110 0.1836 ( 6368 PWs) bands (ev): -17.1407 -17.1407 -17.1407 -17.1407 -16.5496 -16.5496 -16.5496 -16.5496 -12.4722 -12.4722 -12.4721 -12.4721 -10.5126 -10.5126 -10.5125 -10.5125 -7.3157 -7.3157 -7.3154 -7.3154 -6.2386 -6.2386 -6.2385 -6.2385 -5.7019 -5.7019 -5.7016 -5.7016 -5.3492 -5.3492 -5.3492 -5.3492 -3.9713 -3.9713 -3.9706 -3.9706 -3.6928 -3.6928 -3.6918 -3.6918 -2.8955 -2.8955 -2.8941 -2.8941 -1.0042 -1.0042 -1.0033 -1.0033 0.4844 0.4844 0.4852 0.4852 6.2433 6.2433 6.2437 6.2437 7.1104 7.1104 7.1106 7.1106 7.5672 7.5672 k = 0.3548 0.5110 0.1836 ( 6364 PWs) bands (ev): -17.1395 -17.1395 -17.1395 -17.1395 -16.5502 -16.5502 -16.5501 -16.5501 -12.4733 -12.4733 -12.4732 -12.4732 -10.5149 -10.5149 -10.5148 -10.5148 -7.3201 -7.3201 -7.3199 -7.3199 -6.2370 -6.2370 -6.2369 -6.2369 -5.7019 -5.7019 -5.7017 -5.7017 -5.3476 -5.3476 -5.3475 -5.3475 -3.9636 -3.9636 -3.9629 -3.9629 -3.6951 -3.6951 -3.6941 -3.6941 -2.8885 -2.8885 -2.8871 -2.8871 -1.0084 -1.0084 -1.0075 -1.0075 0.4860 0.4860 0.4867 0.4867 6.2785 6.2785 6.2788 6.2788 7.0717 7.0717 7.0720 7.0720 7.5719 7.5719 k = 0.3710 0.5110 0.1836 ( 6362 PWs) bands (ev): -17.1384 -17.1384 -17.1384 -17.1384 -16.5506 -16.5506 -16.5506 -16.5506 -12.4743 -12.4743 -12.4742 -12.4742 -10.5170 -10.5170 -10.5169 -10.5169 -7.3242 -7.3242 -7.3239 -7.3239 -6.2356 -6.2356 -6.2355 -6.2355 -5.7020 -5.7020 -5.7017 -5.7017 -5.3460 -5.3460 -5.3460 -5.3460 -3.9564 -3.9564 -3.9556 -3.9556 -3.6972 -3.6972 -3.6963 -3.6963 -2.8820 -2.8820 -2.8805 -2.8805 -1.0123 -1.0123 -1.0114 -1.0114 0.4874 0.4874 0.4881 0.4881 6.3146 6.3146 6.3149 6.3149 7.0297 7.0297 7.0300 7.0300 7.5804 7.5804 k = 0.3871 0.5110 0.1836 ( 6356 PWs) bands (ev): -17.1374 -17.1374 -17.1373 -17.1373 -16.5511 -16.5511 -16.5511 -16.5511 -12.4752 -12.4752 -12.4751 -12.4751 -10.5189 -10.5189 -10.5188 -10.5188 -7.3278 -7.3278 -7.3275 -7.3275 -6.2344 -6.2344 -6.2343 -6.2343 -5.7020 -5.7020 -5.7017 -5.7017 -5.3447 -5.3447 -5.3447 -5.3447 -3.9498 -3.9498 -3.9490 -3.9490 -3.6992 -3.6992 -3.6982 -3.6982 -2.8761 -2.8761 -2.8746 -2.8746 -1.0159 -1.0159 -1.0149 -1.0149 0.4886 0.4886 0.4894 0.4894 6.3515 6.3515 6.3519 6.3519 6.9855 6.9855 6.9859 6.9859 7.5913 7.5913 k = 0.4032 0.5110 0.1836 ( 6358 PWs) bands (ev): -17.1364 -17.1364 -17.1364 -17.1364 -16.5514 -16.5514 -16.5514 -16.5514 -12.4760 -12.4760 -12.4760 -12.4760 -10.5206 -10.5206 -10.5205 -10.5205 -7.3309 -7.3309 -7.3307 -7.3307 -6.2335 -6.2335 -6.2334 -6.2334 -5.7020 -5.7020 -5.7017 -5.7017 -5.3435 -5.3435 -5.3435 -5.3435 -3.9438 -3.9438 -3.9431 -3.9431 -3.7009 -3.7009 -3.7000 -3.7000 -2.8709 -2.8709 -2.8694 -2.8694 -1.0190 -1.0190 -1.0180 -1.0180 0.4897 0.4897 0.4905 0.4905 6.3893 6.3893 6.3896 6.3896 6.9402 6.9402 6.9406 6.9406 7.6032 7.6032 k = 0.4194 0.5110 0.1836 ( 6364 PWs) bands (ev): -17.1357 -17.1357 -17.1357 -17.1357 -16.5518 -16.5518 -16.5518 -16.5518 -12.4767 -12.4767 -12.4767 -12.4767 -10.5221 -10.5221 -10.5220 -10.5220 -7.3336 -7.3336 -7.3334 -7.3334 -6.2327 -6.2327 -6.2326 -6.2326 -5.7019 -5.7019 -5.7016 -5.7016 -5.3426 -5.3426 -5.3426 -5.3426 -3.9387 -3.9387 -3.9379 -3.9379 -3.7025 -3.7025 -3.7016 -3.7016 -2.8664 -2.8664 -2.8649 -2.8649 -1.0217 -1.0217 -1.0207 -1.0207 0.4906 0.4906 0.4915 0.4915 6.4276 6.4276 6.4279 6.4279 6.8946 6.8946 6.8951 6.8951 7.6150 7.6152 k = 0.4355 0.5110 0.1836 ( 6364 PWs) bands (ev): -17.1350 -17.1350 -17.1350 -17.1350 -16.5521 -16.5521 -16.5521 -16.5521 -12.4773 -12.4773 -12.4772 -12.4772 -10.5234 -10.5234 -10.5233 -10.5233 -7.3359 -7.3359 -7.3356 -7.3356 -6.2321 -6.2321 -6.2320 -6.2320 -5.7019 -5.7019 -5.7015 -5.7015 -5.3418 -5.3418 -5.3418 -5.3418 -3.9343 -3.9343 -3.9335 -3.9335 -3.7038 -3.7038 -3.7029 -3.7029 -2.8627 -2.8627 -2.8612 -2.8612 -1.0239 -1.0239 -1.0229 -1.0229 0.4914 0.4914 0.4922 0.4922 6.4663 6.4663 6.4665 6.4665 6.8495 6.8495 6.8501 6.8501 7.6260 7.6260 k = 0.4516 0.5110 0.1836 ( 6360 PWs) bands (ev): -17.1345 -17.1345 -17.1345 -17.1345 -16.5523 -16.5523 -16.5523 -16.5523 -12.4777 -12.4777 -12.4777 -12.4777 -10.5243 -10.5243 -10.5242 -10.5242 -7.3376 -7.3376 -7.3373 -7.3373 -6.2316 -6.2316 -6.2315 -6.2315 -5.7018 -5.7018 -5.7015 -5.7015 -5.3412 -5.3412 -5.3411 -5.3411 -3.9308 -3.9308 -3.9300 -3.9300 -3.7049 -3.7049 -3.7039 -3.7039 -2.8597 -2.8597 -2.8582 -2.8582 -1.0257 -1.0257 -1.0246 -1.0246 0.4920 0.4920 0.4928 0.4928 6.5046 6.5046 6.5048 6.5048 6.8059 6.8059 6.8065 6.8065 7.6353 7.6354 k = 0.4677 0.5110 0.1836 ( 6354 PWs) bands (ev): -17.1341 -17.1341 -17.1341 -17.1341 -16.5524 -16.5524 -16.5524 -16.5524 -12.4781 -12.4781 -12.4780 -12.4780 -10.5250 -10.5250 -10.5249 -10.5249 -7.3388 -7.3388 -7.3386 -7.3386 -6.2313 -6.2313 -6.2312 -6.2312 -5.7018 -5.7018 -5.7014 -5.7014 -5.3407 -5.3407 -5.3407 -5.3407 -3.9283 -3.9283 -3.9275 -3.9275 -3.7056 -3.7056 -3.7047 -3.7047 -2.8576 -2.8576 -2.8561 -2.8561 -1.0269 -1.0269 -1.0258 -1.0258 0.4924 0.4924 0.4933 0.4933 6.5410 6.5410 6.5411 6.5411 6.7656 6.7656 6.7663 6.7663 7.6423 7.6424 k = 0.4839 0.5110 0.1836 ( 6352 PWs) bands (ev): -17.1339 -17.1339 -17.1339 -17.1339 -16.5525 -16.5525 -16.5525 -16.5525 -12.4783 -12.4783 -12.4782 -12.4782 -10.5254 -10.5254 -10.5253 -10.5253 -7.3396 -7.3396 -7.3393 -7.3393 -6.2311 -6.2311 -6.2310 -6.2310 -5.7017 -5.7017 -5.7014 -5.7014 -5.3405 -5.3405 -5.3404 -5.3404 -3.9268 -3.9268 -3.9259 -3.9259 -3.7061 -3.7061 -3.7051 -3.7051 -2.8563 -2.8563 -2.8548 -2.8548 -1.0277 -1.0277 -1.0266 -1.0266 0.4927 0.4927 0.4935 0.4935 6.5713 6.5713 6.5713 6.5713 6.7328 6.7328 6.7337 6.7337 7.6468 7.6468 k = 0.5000 0.5110 0.1836 ( 6356 PWs) bands (ev): -17.1338 -17.1338 -17.1338 -17.1338 -16.5526 -16.5526 -16.5526 -16.5526 -12.4783 -12.4783 -12.4783 -12.4783 -10.5256 -10.5256 -10.5255 -10.5255 -7.3399 -7.3399 -7.3396 -7.3396 -6.2310 -6.2310 -6.2309 -6.2309 -5.7017 -5.7017 -5.7014 -5.7014 -5.3404 -5.3404 -5.3404 -5.3404 -3.9263 -3.9263 -3.9254 -3.9254 -3.7063 -3.7063 -3.7053 -3.7053 -2.8559 -2.8559 -2.8544 -2.8544 -1.0279 -1.0279 -1.0269 -1.0269 0.4928 0.4928 0.4936 0.4936 6.5845 6.5845 6.5846 6.5846 6.7187 6.7187 6.7196 6.7196 7.6483 7.6483 k = 0.5000 0.5110 0.1836 ( 6356 PWs) bands (ev): -17.1338 -17.1338 -17.1338 -17.1338 -16.5526 -16.5526 -16.5526 -16.5526 -12.4783 -12.4783 -12.4783 -12.4783 -10.5256 -10.5256 -10.5255 -10.5255 -7.3399 -7.3399 -7.3396 -7.3396 -6.2310 -6.2310 -6.2309 -6.2309 -5.7017 -5.7017 -5.7014 -5.7014 -5.3404 -5.3404 -5.3404 -5.3404 -3.9263 -3.9263 -3.9254 -3.9254 -3.7063 -3.7063 -3.7053 -3.7053 -2.8559 -2.8559 -2.8544 -2.8544 -1.0279 -1.0279 -1.0269 -1.0269 0.4928 0.4928 0.4936 0.4936 6.5845 6.5845 6.5846 6.5846 6.7187 6.7187 6.7196 6.7196 7.6483 7.6483 k = 0.5000 0.5166 0.1681 ( 6356 PWs) bands (ev): -17.1339 -17.1339 -17.1338 -17.1338 -16.5526 -16.5526 -16.5526 -16.5526 -12.4783 -12.4783 -12.4783 -12.4783 -10.5255 -10.5255 -10.5253 -10.5253 -7.3400 -7.3400 -7.3397 -7.3397 -6.2311 -6.2311 -6.2310 -6.2310 -5.7016 -5.7016 -5.7012 -5.7012 -5.3404 -5.3404 -5.3403 -5.3403 -3.9271 -3.9271 -3.9263 -3.9263 -3.7053 -3.7053 -3.7043 -3.7043 -2.8563 -2.8563 -2.8548 -2.8548 -1.0273 -1.0273 -1.0262 -1.0262 0.4924 0.4924 0.4933 0.4933 6.5847 6.5847 6.5848 6.5848 6.7200 6.7200 6.7209 6.7209 7.6446 7.6447 k = 0.5000 0.5222 0.1525 ( 6358 PWs) bands (ev): -17.1339 -17.1339 -17.1339 -17.1339 -16.5525 -16.5525 -16.5525 -16.5525 -12.4784 -12.4784 -12.4783 -12.4783 -10.5251 -10.5251 -10.5250 -10.5250 -7.3404 -7.3404 -7.3401 -7.3401 -6.2314 -6.2314 -6.2313 -6.2313 -5.7012 -5.7012 -5.7008 -5.7008 -5.3403 -5.3403 -5.3403 -5.3403 -3.9298 -3.9298 -3.9289 -3.9289 -3.7025 -3.7025 -3.7015 -3.7015 -2.8576 -2.8576 -2.8561 -2.8561 -1.0253 -1.0253 -1.0242 -1.0242 0.4913 0.4913 0.4922 0.4922 6.5853 6.5853 6.5854 6.5854 6.7239 6.7239 6.7248 6.7248 7.6338 7.6339 k = 0.5000 0.5278 0.1370 ( 6354 PWs) bands (ev): -17.1341 -17.1341 -17.1341 -17.1341 -16.5524 -16.5524 -16.5524 -16.5524 -12.4784 -12.4784 -12.4783 -12.4783 -10.5245 -10.5245 -10.5244 -10.5244 -7.3411 -7.3411 -7.3408 -7.3408 -6.2318 -6.2318 -6.2317 -6.2317 -5.7005 -5.7005 -5.7001 -5.7001 -5.3402 -5.3402 -5.3402 -5.3402 -3.9339 -3.9339 -3.9331 -3.9331 -3.6980 -3.6980 -3.6970 -3.6970 -2.8598 -2.8598 -2.8583 -2.8583 -1.0220 -1.0220 -1.0210 -1.0210 0.4896 0.4896 0.4904 0.4904 6.5863 6.5863 6.5864 6.5864 6.7304 6.7304 6.7313 6.7313 7.6163 7.6163 k = 0.5000 0.5334 0.1214 ( 6358 PWs) bands (ev): -17.1343 -17.1343 -17.1343 -17.1343 -16.5522 -16.5522 -16.5522 -16.5522 -12.4784 -12.4784 -12.4784 -12.4784 -10.5236 -10.5236 -10.5235 -10.5235 -7.3421 -7.3421 -7.3418 -7.3418 -6.2324 -6.2324 -6.2323 -6.2323 -5.6996 -5.6996 -5.6992 -5.6992 -5.3401 -5.3401 -5.3401 -5.3401 -3.9393 -3.9393 -3.9386 -3.9386 -3.6921 -3.6921 -3.6911 -3.6911 -2.8627 -2.8627 -2.8613 -2.8613 -1.0175 -1.0175 -1.0165 -1.0165 0.4871 0.4871 0.4879 0.4879 6.5877 6.5877 6.5879 6.5879 6.7393 6.7393 6.7402 6.7402 7.5928 7.5928 k = 0.5000 0.5389 0.1058 ( 6366 PWs) bands (ev): -17.1346 -17.1346 -17.1346 -17.1346 -16.5520 -16.5520 -16.5520 -16.5520 -12.4785 -12.4785 -12.4784 -12.4784 -10.5226 -10.5226 -10.5225 -10.5225 -7.3434 -7.3434 -7.3431 -7.3431 -6.2331 -6.2331 -6.2330 -6.2330 -5.6984 -5.6984 -5.6981 -5.6981 -5.3400 -5.3400 -5.3400 -5.3400 -3.9458 -3.9458 -3.9450 -3.9450 -3.6850 -3.6850 -3.6841 -3.6841 -2.8664 -2.8664 -2.8650 -2.8650 -1.0119 -1.0119 -1.0109 -1.0109 0.4841 0.4841 0.4848 0.4848 6.5898 6.5898 6.5900 6.5900 6.7505 6.7505 6.7513 6.7513 7.5641 7.5641 k = 0.5000 0.5445 0.0903 ( 6368 PWs) bands (ev): -17.1349 -17.1349 -17.1349 -17.1349 -16.5518 -16.5518 -16.5517 -16.5517 -12.4785 -12.4785 -12.4785 -12.4785 -10.5213 -10.5213 -10.5212 -10.5212 -7.3450 -7.3450 -7.3447 -7.3447 -6.2338 -6.2338 -6.2337 -6.2337 -5.6971 -5.6971 -5.6968 -5.6968 -5.3399 -5.3399 -5.3399 -5.3399 -3.9529 -3.9529 -3.9522 -3.9522 -3.6771 -3.6771 -3.6762 -3.6762 -2.8706 -2.8706 -2.8693 -2.8693 -1.0053 -1.0053 -1.0044 -1.0044 0.4805 0.4805 0.4812 0.4812 6.5924 6.5924 6.5926 6.5926 6.7639 6.7639 6.7646 6.7646 7.5311 7.5311 k = 0.5000 0.5501 0.0747 ( 6372 PWs) bands (ev): -17.1353 -17.1353 -17.1353 -17.1353 -16.5514 -16.5514 -16.5514 -16.5514 -12.4785 -12.4785 -12.4785 -12.4785 -10.5198 -10.5198 -10.5197 -10.5197 -7.3469 -7.3469 -7.3466 -7.3466 -6.2345 -6.2345 -6.2344 -6.2344 -5.6957 -5.6957 -5.6954 -5.6954 -5.3398 -5.3398 -5.3398 -5.3398 -3.9606 -3.9606 -3.9599 -3.9599 -3.6687 -3.6687 -3.6678 -3.6678 -2.8754 -2.8754 -2.8741 -2.8741 -0.9979 -0.9979 -0.9970 -0.9970 0.4765 0.4765 0.4771 0.4771 6.5955 6.5955 6.5958 6.5958 6.7793 6.7793 6.7800 6.7800 7.4947 7.4947 k = 0.5000 0.5557 0.0591 ( 6370 PWs) bands (ev): -17.1357 -17.1357 -17.1357 -17.1357 -16.5511 -16.5511 -16.5511 -16.5511 -12.4785 -12.4785 -12.4785 -12.4785 -10.5182 -10.5182 -10.5181 -10.5181 -7.3491 -7.3491 -7.3488 -7.3488 -6.2352 -6.2352 -6.2351 -6.2351 -5.6942 -5.6942 -5.6939 -5.6939 -5.3399 -5.3399 -5.3398 -5.3398 -3.9685 -3.9685 -3.9679 -3.9679 -3.6600 -3.6600 -3.6591 -3.6591 -2.8806 -2.8806 -2.8793 -2.8793 -0.9897 -0.9897 -0.9888 -0.9888 0.4721 0.4721 0.4727 0.4727 6.5993 6.5993 6.5995 6.5995 6.7967 6.7967 6.7973 6.7973 7.4558 7.4559 k = 0.5000 0.5613 0.0436 ( 6376 PWs) bands (ev): -17.1363 -17.1363 -17.1363 -17.1363 -16.5507 -16.5507 -16.5507 -16.5507 -12.4785 -12.4785 -12.4785 -12.4785 -10.5164 -10.5164 -10.5163 -10.5163 -7.3516 -7.3516 -7.3513 -7.3513 -6.2357 -6.2357 -6.2356 -6.2356 -5.6927 -5.6927 -5.6924 -5.6924 -5.3400 -5.3400 -5.3399 -5.3399 -3.9764 -3.9764 -3.9758 -3.9758 -3.6512 -3.6512 -3.6504 -3.6504 -2.8861 -2.8861 -2.8849 -2.8849 -0.9810 -0.9810 -0.9802 -0.9802 0.4674 0.4674 0.4680 0.4680 6.6034 6.6034 6.6037 6.6037 6.8159 6.8159 6.8165 6.8165 7.4153 7.4153 k = 0.5000 0.5669 0.0280 ( 6374 PWs) bands (ev): -17.1368 -17.1368 -17.1368 -17.1368 -16.5502 -16.5502 -16.5502 -16.5502 -12.4784 -12.4784 -12.4784 -12.4784 -10.5144 -10.5144 -10.5143 -10.5143 -7.3543 -7.3543 -7.3541 -7.3541 -6.2359 -6.2359 -6.2358 -6.2358 -5.6913 -5.6913 -5.6910 -5.6910 -5.3402 -5.3402 -5.3401 -5.3401 -3.9842 -3.9842 -3.9837 -3.9837 -3.6425 -3.6425 -3.6417 -3.6417 -2.8916 -2.8916 -2.8905 -2.8905 -0.9720 -0.9720 -0.9713 -0.9713 0.4627 0.4627 0.4632 0.4632 6.6078 6.6078 6.6081 6.6081 6.8369 6.8369 6.8374 6.8374 7.3738 7.3738 k = 0.5000 0.5725 0.0125 ( 6372 PWs) bands (ev): -17.1375 -17.1375 -17.1375 -17.1375 -16.5497 -16.5497 -16.5497 -16.5497 -12.4783 -12.4783 -12.4783 -12.4783 -10.5122 -10.5122 -10.5121 -10.5121 -7.3574 -7.3574 -7.3572 -7.3572 -6.2359 -6.2359 -6.2358 -6.2358 -5.6900 -5.6900 -5.6897 -5.6897 -5.3405 -5.3405 -5.3405 -5.3405 -3.9917 -3.9917 -3.9913 -3.9913 -3.6342 -3.6342 -3.6335 -3.6335 -2.8972 -2.8972 -2.8961 -2.8961 -0.9628 -0.9628 -0.9621 -0.9621 0.4579 0.4579 0.4583 0.4583 6.6123 6.6123 6.6126 6.6126 6.8596 6.8596 6.8600 6.8600 7.3322 7.3322 k = 0.5000 0.5781-0.0031 ( 6368 PWs) bands (ev): -17.1382 -17.1382 -17.1382 -17.1382 -16.5492 -16.5492 -16.5492 -16.5492 -12.4782 -12.4782 -12.4782 -12.4782 -10.5099 -10.5099 -10.5099 -10.5099 -7.3608 -7.3608 -7.3606 -7.3606 -6.2356 -6.2356 -6.2355 -6.2355 -5.6888 -5.6888 -5.6886 -5.6886 -5.3410 -5.3410 -5.3410 -5.3410 -3.9989 -3.9989 -3.9985 -3.9985 -3.6264 -3.6264 -3.6257 -3.6257 -2.9025 -2.9025 -2.9016 -2.9016 -0.9537 -0.9537 -0.9531 -0.9531 0.4532 0.4532 0.4535 0.4535 6.6165 6.6165 6.6169 6.6169 6.8840 6.8840 6.8844 6.8844 7.2912 7.2912 k = 0.5000 0.5837-0.0187 ( 6366 PWs) bands (ev): -17.1389 -17.1389 -17.1389 -17.1389 -16.5486 -16.5486 -16.5486 -16.5486 -12.4780 -12.4780 -12.4779 -12.4779 -10.5076 -10.5076 -10.5075 -10.5075 -7.3645 -7.3645 -7.3642 -7.3642 -6.2349 -6.2349 -6.2348 -6.2348 -5.6880 -5.6880 -5.6877 -5.6877 -5.3416 -5.3416 -5.3416 -5.3416 -4.0055 -4.0055 -4.0052 -4.0052 -3.6192 -3.6192 -3.6186 -3.6186 -2.9076 -2.9076 -2.9067 -2.9067 -0.9447 -0.9447 -0.9442 -0.9442 0.4487 0.4487 0.4489 0.4489 6.6201 6.6201 6.6205 6.6205 6.9100 6.9100 6.9103 6.9103 7.2516 7.2516 k = 0.5000 0.5837-0.0187 ( 6366 PWs) bands (ev): -17.1389 -17.1389 -17.1389 -17.1389 -16.5486 -16.5486 -16.5486 -16.5486 -12.4780 -12.4780 -12.4779 -12.4779 -10.5076 -10.5076 -10.5075 -10.5075 -7.3645 -7.3645 -7.3642 -7.3642 -6.2349 -6.2349 -6.2348 -6.2348 -5.6880 -5.6880 -5.6877 -5.6877 -5.3416 -5.3416 -5.3416 -5.3416 -4.0055 -4.0055 -4.0052 -4.0052 -3.6192 -3.6192 -3.6186 -3.6186 -2.9076 -2.9076 -2.9067 -2.9067 -0.9447 -0.9447 -0.9442 -0.9442 0.4487 0.4487 0.4489 0.4489 6.6201 6.6201 6.6205 6.6205 6.9100 6.9100 6.9103 6.9104 7.2516 7.2516 k = 0.5000 0.5776-0.0340 ( 6366 PWs) bands (ev): -17.1383 -17.1383 -17.1383 -17.1383 -16.5489 -16.5489 -16.5489 -16.5489 -12.4789 -12.4789 -12.4789 -12.4789 -10.5084 -10.5084 -10.5083 -10.5083 -7.3660 -7.3660 -7.3658 -7.3658 -6.2347 -6.2347 -6.2346 -6.2346 -5.6844 -5.6844 -5.6841 -5.6841 -5.3395 -5.3395 -5.3394 -5.3394 -4.0092 -4.0092 -4.0089 -4.0089 -3.6115 -3.6115 -3.6109 -3.6109 -2.9136 -2.9136 -2.9128 -2.9128 -0.9420 -0.9420 -0.9416 -0.9416 0.4495 0.4495 0.4498 0.4498 6.6196 6.6196 6.6200 6.6200 6.9131 6.9131 6.9134 6.9134 7.2211 7.2211 k = 0.5000 0.5716-0.0493 ( 6364 PWs) bands (ev): -17.1378 -17.1378 -17.1378 -17.1378 -16.5491 -16.5491 -16.5491 -16.5491 -12.4799 -12.4799 -12.4799 -12.4799 -10.5091 -10.5091 -10.5091 -10.5091 -7.3677 -7.3677 -7.3675 -7.3675 -6.2343 -6.2343 -6.2343 -6.2343 -5.6812 -5.6812 -5.6809 -5.6809 -5.3373 -5.3373 -5.3373 -5.3373 -4.0126 -4.0126 -4.0123 -4.0123 -3.6042 -3.6042 -3.6037 -3.6037 -2.9193 -2.9193 -2.9185 -2.9185 -0.9394 -0.9394 -0.9390 -0.9390 0.4504 0.4504 0.4507 0.4507 6.6164 6.6164 6.6167 6.6167 6.9193 6.9193 6.9196 6.9196 7.1924 7.1924 k = 0.5000 0.5655-0.0646 ( 6358 PWs) bands (ev): -17.1374 -17.1374 -17.1374 -17.1374 -16.5492 -16.5492 -16.5492 -16.5492 -12.4807 -12.4807 -12.4807 -12.4807 -10.5097 -10.5097 -10.5097 -10.5097 -7.3695 -7.3695 -7.3693 -7.3693 -6.2338 -6.2338 -6.2337 -6.2337 -5.6783 -5.6783 -5.6781 -5.6781 -5.3352 -5.3352 -5.3352 -5.3352 -4.0158 -4.0158 -4.0155 -4.0155 -3.5974 -3.5974 -3.5969 -3.5969 -2.9247 -2.9247 -2.9240 -2.9240 -0.9370 -0.9370 -0.9366 -0.9366 0.4514 0.4514 0.4516 0.4516 6.6114 6.6114 6.6116 6.6116 6.9276 6.9276 6.9279 6.9279 7.1656 7.1656 k = 0.5000 0.5595-0.0799 ( 6360 PWs) bands (ev): -17.1370 -17.1370 -17.1370 -17.1370 -16.5494 -16.5494 -16.5494 -16.5494 -12.4815 -12.4815 -12.4815 -12.4815 -10.5102 -10.5102 -10.5102 -10.5102 -7.3713 -7.3713 -7.3711 -7.3711 -6.2332 -6.2332 -6.2331 -6.2331 -5.6758 -5.6758 -5.6756 -5.6756 -5.3332 -5.3332 -5.3331 -5.3331 -4.0186 -4.0186 -4.0184 -4.0184 -3.5911 -3.5911 -3.5906 -3.5906 -2.9298 -2.9298 -2.9292 -2.9292 -0.9347 -0.9347 -0.9343 -0.9343 0.4523 0.4523 0.4525 0.4525 6.6052 6.6052 6.6055 6.6055 6.9373 6.9373 6.9375 6.9375 7.1409 7.1409 k = 0.5000 0.5534-0.0952 ( 6360 PWs) bands (ev): -17.1367 -17.1367 -17.1367 -17.1367 -16.5495 -16.5495 -16.5495 -16.5495 -12.4822 -12.4822 -12.4822 -12.4822 -10.5107 -10.5107 -10.5106 -10.5106 -7.3731 -7.3731 -7.3729 -7.3729 -6.2325 -6.2325 -6.2325 -6.2325 -5.6737 -5.6737 -5.6735 -5.6735 -5.3312 -5.3312 -5.3312 -5.3312 -4.0211 -4.0211 -4.0209 -4.0209 -3.5854 -3.5854 -3.5849 -3.5849 -2.9345 -2.9345 -2.9339 -2.9339 -0.9326 -0.9326 -0.9322 -0.9322 0.4532 0.4532 0.4533 0.4533 6.5987 6.5987 6.5990 6.5990 6.9474 6.9474 6.9476 6.9476 7.1185 7.1185 k = 0.5000 0.5473-0.1105 ( 6362 PWs) bands (ev): -17.1364 -17.1364 -17.1364 -17.1364 -16.5496 -16.5496 -16.5496 -16.5496 -12.4828 -12.4828 -12.4828 -12.4828 -10.5110 -10.5110 -10.5110 -10.5110 -7.3748 -7.3748 -7.3746 -7.3746 -6.2318 -6.2318 -6.2318 -6.2318 -5.6718 -5.6718 -5.6717 -5.6717 -5.3295 -5.3295 -5.3294 -5.3294 -4.0233 -4.0233 -4.0231 -4.0231 -3.5803 -3.5803 -3.5799 -3.5799 -2.9386 -2.9386 -2.9381 -2.9381 -0.9307 -0.9307 -0.9304 -0.9304 0.4540 0.4540 0.4541 0.4541 6.5923 6.5923 6.5925 6.5925 6.9574 6.9574 6.9575 6.9575 7.0985 7.0985 k = 0.5000 0.5413-0.1258 ( 6364 PWs) bands (ev): -17.1362 -17.1362 -17.1362 -17.1362 -16.5496 -16.5496 -16.5496 -16.5496 -12.4833 -12.4833 -12.4833 -12.4833 -10.5113 -10.5113 -10.5113 -10.5113 -7.3763 -7.3763 -7.3762 -7.3762 -6.2312 -6.2312 -6.2312 -6.2312 -5.6703 -5.6703 -5.6702 -5.6702 -5.3279 -5.3279 -5.3279 -5.3279 -4.0251 -4.0251 -4.0250 -4.0250 -3.5759 -3.5759 -3.5756 -3.5756 -2.9423 -2.9423 -2.9418 -2.9418 -0.9290 -0.9290 -0.9288 -0.9288 0.4547 0.4547 0.4548 0.4548 6.5865 6.5865 6.5866 6.5866 6.9668 6.9668 6.9669 6.9669 7.0811 7.0811 k = 0.5000 0.5352-0.1411 ( 6368 PWs) bands (ev): -17.1360 -17.1360 -17.1360 -17.1360 -16.5496 -16.5496 -16.5496 -16.5496 -12.4838 -12.4838 -12.4838 -12.4838 -10.5115 -10.5115 -10.5115 -10.5115 -7.3776 -7.3776 -7.3775 -7.3775 -6.2306 -6.2306 -6.2306 -6.2306 -5.6691 -5.6691 -5.6690 -5.6690 -5.3266 -5.3266 -5.3265 -5.3265 -4.0266 -4.0266 -4.0265 -4.0265 -3.5722 -3.5722 -3.5720 -3.5720 -2.9453 -2.9453 -2.9450 -2.9450 -0.9276 -0.9276 -0.9275 -0.9275 0.4554 0.4554 0.4555 0.4555 6.5814 6.5814 6.5815 6.5815 6.9752 6.9752 6.9752 6.9752 7.0664 7.0664 k = 0.5000 0.5292-0.1564 ( 6370 PWs) bands (ev): -17.1359 -17.1359 -17.1359 -17.1359 -16.5497 -16.5497 -16.5497 -16.5497 -12.4841 -12.4841 -12.4841 -12.4841 -10.5116 -10.5116 -10.5116 -10.5116 -7.3787 -7.3787 -7.3786 -7.3786 -6.2302 -6.2302 -6.2302 -6.2302 -5.6682 -5.6682 -5.6681 -5.6681 -5.3255 -5.3255 -5.3255 -5.3255 -4.0278 -4.0278 -4.0277 -4.0277 -3.5693 -3.5693 -3.5691 -3.5691 -2.9477 -2.9477 -2.9474 -2.9474 -0.9265 -0.9265 -0.9264 -0.9264 0.4559 0.4559 0.4559 0.4559 6.5772 6.5772 6.5774 6.5774 6.9824 6.9824 6.9824 6.9824 7.0544 7.0544 k = 0.5000 0.5231-0.1717 ( 6372 PWs) bands (ev): -17.1358 -17.1358 -17.1358 -17.1358 -16.5497 -16.5497 -16.5497 -16.5497 -12.4844 -12.4844 -12.4844 -12.4844 -10.5118 -10.5118 -10.5117 -10.5117 -7.3795 -7.3795 -7.3795 -7.3795 -6.2298 -6.2298 -6.2298 -6.2298 -5.6675 -5.6675 -5.6675 -5.6675 -5.3247 -5.3247 -5.3247 -5.3247 -4.0287 -4.0287 -4.0286 -4.0286 -3.5672 -3.5672 -3.5671 -3.5671 -2.9494 -2.9494 -2.9493 -2.9493 -0.9257 -0.9257 -0.9257 -0.9257 0.4562 0.4562 0.4563 0.4563 6.5742 6.5742 6.5743 6.5743 6.9880 6.9880 6.9880 6.9880 7.0455 7.0455 k = 0.5000 0.5170-0.1870 ( 6380 PWs) bands (ev): -17.1357 -17.1357 -17.1357 -17.1357 -16.5497 -16.5497 -16.5497 -16.5497 -12.4845 -12.4845 -12.4845 -12.4845 -10.5118 -10.5118 -10.5118 -10.5118 -7.3800 -7.3800 -7.3800 -7.3800 -6.2296 -6.2296 -6.2296 -6.2296 -5.6672 -5.6672 -5.6671 -5.6671 -5.3242 -5.3242 -5.3242 -5.3242 -4.0292 -4.0292 -4.0291 -4.0291 -3.5659 -3.5659 -3.5658 -3.5658 -2.9505 -2.9505 -2.9504 -2.9504 -0.9253 -0.9253 -0.9252 -0.9252 0.4565 0.4565 0.4565 0.4565 6.5724 6.5724 6.5724 6.5724 6.9917 6.9917 6.9917 6.9917 7.0398 7.0398 k = 0.5000 0.5110-0.2023 ( 6380 PWs) bands (ev): -17.1357 -17.1357 -17.1357 -17.1357 -16.5497 -16.5497 -16.5497 -16.5497 -12.4846 -12.4846 -12.4846 -12.4846 -10.5118 -10.5118 -10.5118 -10.5118 -7.3801 -7.3801 -7.3801 -7.3801 -6.2295 -6.2295 -6.2295 -6.2295 -5.6670 -5.6670 -5.6670 -5.6670 -5.3241 -5.3241 -5.3241 -5.3241 -4.0293 -4.0293 -4.0293 -4.0293 -3.5655 -3.5655 -3.5655 -3.5655 -2.9508 -2.9508 -2.9508 -2.9508 -0.9251 -0.9251 -0.9251 -0.9251 0.4566 0.4566 0.4566 0.4566 6.5718 6.5718 6.5718 6.5718 6.9930 6.9930 6.9930 6.9930 7.0379 7.0379 k = 0.5000 0.5110-0.2023 ( 6380 PWs) bands (ev): -17.1357 -17.1357 -17.1357 -17.1357 -16.5497 -16.5497 -16.5497 -16.5497 -12.4846 -12.4846 -12.4846 -12.4846 -10.5118 -10.5118 -10.5118 -10.5118 -7.3801 -7.3801 -7.3801 -7.3801 -6.2295 -6.2295 -6.2295 -6.2295 -5.6670 -5.6670 -5.6670 -5.6670 -5.3241 -5.3241 -5.3241 -5.3241 -4.0293 -4.0293 -4.0293 -4.0293 -3.5655 -3.5655 -3.5655 -3.5655 -2.9508 -2.9508 -2.9508 -2.9508 -0.9251 -0.9251 -0.9251 -0.9251 0.4566 0.4566 0.4566 0.4566 6.5718 6.5718 6.5718 6.5718 6.9930 6.9930 6.9930 6.9930 7.0379 7.0379 k = 0.4839 0.5110-0.2023 ( 6370 PWs) bands (ev): -17.1365 -17.1365 -17.1350 -17.1350 -16.5572 -16.5572 -16.5422 -16.5422 -12.4870 -12.4870 -12.4820 -12.4820 -10.5137 -10.5137 -10.5098 -10.5098 -7.3894 -7.3894 -7.3700 -7.3700 -6.2322 -6.2322 -6.2268 -6.2268 -5.6687 -5.6687 -5.6656 -5.6656 -5.3245 -5.3245 -5.3239 -5.3239 -4.0411 -4.0411 -4.0175 -4.0175 -3.5719 -3.5719 -3.5597 -3.5597 -2.9682 -2.9682 -2.9336 -2.9336 -0.9491 -0.9491 -0.9012 -0.9012 0.4472 0.4472 0.4660 0.4660 6.5069 6.5069 6.6331 6.6331 6.9394 6.9394 7.0277 7.0277 7.0490 7.0490 k = 0.4677 0.5110-0.2023 ( 6370 PWs) bands (ev): -17.1373 -17.1373 -17.1345 -17.1345 -16.5647 -16.5647 -16.5347 -16.5347 -12.4892 -12.4892 -12.4792 -12.4792 -10.5155 -10.5155 -10.5076 -10.5076 -7.3979 -7.3979 -7.3591 -7.3591 -6.2348 -6.2348 -6.2240 -6.2240 -5.6707 -5.6707 -5.6646 -5.6646 -5.3254 -5.3254 -5.3241 -5.3241 -4.0530 -4.0530 -4.0059 -4.0059 -3.5790 -3.5790 -3.5546 -3.5546 -2.9858 -2.9858 -2.9169 -2.9169 -0.9732 -0.9732 -0.8775 -0.8775 0.4380 0.4380 0.4754 0.4754 6.4404 6.4404 6.6857 6.6857 6.8969 6.8969 7.0197 7.0197 7.0636 7.0636 k = 0.4516 0.5110-0.2023 ( 6368 PWs) bands (ev): -17.1382 -17.1382 -17.1339 -17.1339 -16.5722 -16.5722 -16.5272 -16.5272 -12.4912 -12.4912 -12.4763 -12.4763 -10.5172 -10.5172 -10.5053 -10.5053 -7.4054 -7.4054 -7.3475 -7.3475 -6.2374 -6.2374 -6.2212 -6.2212 -5.6731 -5.6731 -5.6639 -5.6639 -5.3266 -5.3266 -5.3246 -5.3246 -4.0648 -4.0648 -3.9944 -3.9944 -3.5867 -3.5867 -3.5502 -3.5502 -3.0035 -3.0035 -2.9007 -2.9007 -0.9971 -0.9971 -0.8543 -0.8543 0.4291 0.4291 0.4846 0.4846 6.3731 6.3731 6.7155 6.7155 6.8788 6.8788 7.0147 7.0147 7.0791 7.0791 k = 0.4355 0.5110-0.2023 ( 6366 PWs) bands (ev): -17.1392 -17.1392 -17.1335 -17.1335 -16.5796 -16.5796 -16.5198 -16.5198 -12.4930 -12.4930 -12.4732 -12.4732 -10.5188 -10.5188 -10.5028 -10.5028 -7.4122 -7.4122 -7.3351 -7.3351 -6.2399 -6.2399 -6.2183 -6.2183 -5.6757 -5.6757 -5.6636 -5.6636 -5.3282 -5.3282 -5.3254 -5.3254 -4.0768 -4.0768 -3.9831 -3.9831 -3.5949 -3.5949 -3.5466 -3.5466 -3.0211 -3.0211 -2.8850 -2.8850 -1.0208 -1.0208 -0.8317 -0.8317 0.4207 0.4207 0.4937 0.4937 6.3056 6.3056 6.7084 6.7084 6.8971 6.8971 7.0147 7.0147 7.0963 7.0963 k = 0.4194 0.5110-0.2023 ( 6360 PWs) bands (ev): -17.1402 -17.1402 -17.1332 -17.1332 -16.5869 -16.5869 -16.5125 -16.5125 -12.4946 -12.4946 -12.4700 -12.4700 -10.5202 -10.5202 -10.5001 -10.5001 -7.4180 -7.4180 -7.3221 -7.3221 -6.2424 -6.2424 -6.2155 -6.2155 -5.6786 -5.6786 -5.6636 -5.6636 -5.3302 -5.3302 -5.3264 -5.3264 -4.0887 -4.0887 -3.9720 -3.9720 -3.6035 -3.6035 -3.5437 -3.5437 -3.0385 -3.0385 -2.8699 -2.8699 -1.0441 -1.0441 -0.8099 -0.8099 0.4128 0.4128 0.5024 0.5024 6.2382 6.2382 6.6787 6.6787 6.9306 6.9306 7.0262 7.0262 7.1151 7.1151 k = 0.4032 0.5110-0.2023 ( 6364 PWs) bands (ev): -17.1413 -17.1413 -17.1329 -17.1329 -16.5941 -16.5941 -16.5053 -16.5053 -12.4960 -12.4960 -12.4667 -12.4667 -10.5215 -10.5215 -10.4974 -10.4974 -7.4230 -7.4230 -7.3084 -7.3084 -6.2448 -6.2448 -6.2127 -6.2127 -5.6818 -5.6818 -5.6639 -5.6639 -5.3326 -5.3326 -5.3276 -5.3276 -4.1006 -4.1006 -3.9612 -3.9612 -3.6125 -3.6125 -3.5416 -3.5416 -3.0555 -3.0555 -2.8555 -2.8555 -1.0671 -1.0671 -0.7890 -0.7890 0.4057 0.4057 0.5108 0.5108 6.1711 6.1711 6.6429 6.6429 6.9529 6.9529 7.0592 7.0592 7.1357 7.1357 k = 0.3871 0.5110-0.2023 ( 6364 PWs) bands (ev): -17.1424 -17.1424 -17.1327 -17.1327 -16.6013 -16.6013 -16.4982 -16.4982 -12.4972 -12.4972 -12.4633 -12.4633 -10.5228 -10.5228 -10.4945 -10.4945 -7.4271 -7.4271 -7.2941 -7.2941 -6.2472 -6.2472 -6.2100 -6.2100 -5.6851 -5.6851 -5.6646 -5.6646 -5.3354 -5.3354 -5.3290 -5.3290 -4.1126 -4.1126 -3.9507 -3.9507 -3.6217 -3.6217 -3.5402 -3.5402 -3.0721 -3.0721 -2.8418 -2.8418 -1.0896 -1.0896 -0.7693 -0.7693 0.3995 0.3995 0.5188 0.5188 6.1046 6.1046 6.6067 6.6067 6.9613 6.9613 7.1104 7.1104 7.1579 7.1579 k = 0.3710 0.5110-0.2023 ( 6364 PWs) bands (ev): -17.1436 -17.1436 -17.1326 -17.1326 -16.6083 -16.6083 -16.4913 -16.4913 -12.4981 -12.4981 -12.4598 -12.4598 -10.5240 -10.5240 -10.4915 -10.4915 -7.4304 -7.4304 -7.2792 -7.2792 -6.2496 -6.2496 -6.2074 -6.2074 -5.6887 -5.6887 -5.6656 -5.6656 -5.3386 -5.3386 -5.3306 -5.3306 -4.1247 -4.1247 -3.9407 -3.9407 -3.6312 -3.6312 -3.5395 -3.5395 -3.0879 -3.0879 -2.8288 -2.8288 -1.1116 -1.1116 -0.7509 -0.7509 0.3944 0.3944 0.5264 0.5264 6.0388 6.0388 6.5720 6.5720 6.9642 6.9642 7.1691 7.1691 7.1818 7.1818 k = 0.3548 0.5110-0.2023 ( 6362 PWs) bands (ev): -17.1449 -17.1449 -17.1325 -17.1325 -16.6151 -16.6151 -16.4845 -16.4845 -12.4989 -12.4989 -12.4563 -12.4563 -10.5251 -10.5251 -10.4883 -10.4883 -7.4328 -7.4328 -7.2639 -7.2639 -6.2520 -6.2520 -6.2048 -6.2048 -5.6924 -5.6924 -5.6668 -5.6668 -5.3421 -5.3421 -5.3324 -5.3324 -4.1368 -4.1368 -3.9312 -3.9312 -3.6407 -3.6407 -3.5396 -3.5396 -3.1029 -3.1029 -2.8165 -2.8165 -1.1330 -1.1330 -0.7341 -0.7341 0.3905 0.3905 0.5336 0.5336 5.9739 5.9739 6.5395 6.5395 6.9657 6.9657 7.2075 7.2075 7.2307 7.2307 k = 0.3387 0.5110-0.2023 ( 6358 PWs) bands (ev): -17.1461 -17.1461 -17.1325 -17.1325 -16.6218 -16.6218 -16.4779 -16.4779 -12.4995 -12.4995 -12.4528 -12.4528 -10.5261 -10.5261 -10.4850 -10.4850 -7.4344 -7.4344 -7.2481 -7.2481 -6.2546 -6.2546 -6.2025 -6.2025 -5.6962 -5.6962 -5.6683 -5.6683 -5.3460 -5.3460 -5.3342 -5.3342 -4.1489 -4.1489 -3.9223 -3.9223 -3.6503 -3.6503 -3.5404 -3.5404 -3.1168 -3.1168 -2.8049 -2.8049 -1.1538 -1.1538 -0.7189 -0.7189 0.3880 0.3880 0.5403 0.5403 5.9101 5.9101 6.5095 6.5095 6.9670 6.9670 7.2349 7.2349 7.2931 7.2931 k = 0.3226 0.5110-0.2023 ( 6354 PWs) bands (ev): -17.1474 -17.1474 -17.1326 -17.1326 -16.6282 -16.6282 -16.4714 -16.4714 -12.4999 -12.4999 -12.4492 -12.4492 -10.5271 -10.5271 -10.4817 -10.4817 -7.4353 -7.4353 -7.2320 -7.2320 -6.2572 -6.2572 -6.2003 -6.2003 -5.7001 -5.7001 -5.6700 -5.6700 -5.3502 -5.3502 -5.3361 -5.3361 -4.1611 -4.1611 -3.9139 -3.9139 -3.6598 -3.6598 -3.5419 -3.5419 -3.1296 -3.1296 -2.7940 -2.7940 -1.1739 -1.1739 -0.7055 -0.7055 0.3869 0.3869 0.5465 0.5465 5.8475 5.8475 6.4820 6.4820 6.9687 6.9687 7.2641 7.2641 7.3557 7.3557 k = 0.3065 0.5110-0.2023 ( 6360 PWs) bands (ev): -17.1487 -17.1487 -17.1327 -17.1327 -16.6345 -16.6345 -16.4652 -16.4652 -12.5001 -12.5001 -12.4457 -12.4457 -10.5281 -10.5281 -10.4782 -10.4782 -7.4354 -7.4354 -7.2156 -7.2156 -6.2599 -6.2599 -6.1983 -6.1983 -5.7040 -5.7040 -5.6720 -5.6720 -5.3548 -5.3548 -5.3381 -5.3381 -4.1732 -4.1732 -3.9063 -3.9063 -3.6691 -3.6691 -3.5441 -3.5441 -3.1411 -3.1411 -2.7839 -2.7839 -1.1933 -1.1933 -0.6941 -0.6941 0.3873 0.3873 0.5522 0.5522 5.7863 5.7863 6.4570 6.4570 6.9710 6.9710 7.2950 7.2950 7.4181 7.4181 k = 0.2903 0.5110-0.2023 ( 6372 PWs) bands (ev): -17.1501 -17.1501 -17.1329 -17.1329 -16.6406 -16.6406 -16.4592 -16.4592 -12.5002 -12.5002 -12.4422 -12.4422 -10.5290 -10.5290 -10.4747 -10.4747 -7.4349 -7.4349 -7.1990 -7.1990 -6.2628 -6.2628 -6.1965 -6.1965 -5.7079 -5.7079 -5.6741 -5.6741 -5.3595 -5.3595 -5.3401 -5.3401 -4.1854 -4.1854 -3.8993 -3.8993 -3.6781 -3.6781 -3.5470 -3.5470 -3.1512 -3.1512 -2.7745 -2.7745 -1.2119 -1.2119 -0.6846 -0.6846 0.3893 0.3893 0.5575 0.5575 5.7268 5.7268 6.4345 6.4345 6.9738 6.9738 7.3276 7.3276 7.4800 7.4800 k = 0.2742 0.5110-0.2023 ( 6372 PWs) bands (ev): -17.1514 -17.1514 -17.1331 -17.1331 -16.6464 -16.6464 -16.4534 -16.4534 -12.5001 -12.5001 -12.4387 -12.4387 -10.5298 -10.5298 -10.4712 -10.4712 -7.4337 -7.4337 -7.1822 -7.1822 -6.2658 -6.2658 -6.1950 -6.1950 -5.7118 -5.7118 -5.6763 -5.6763 -5.3645 -5.3645 -5.3422 -5.3422 -4.1976 -4.1976 -3.8931 -3.8931 -3.6869 -3.6869 -3.5505 -3.5505 -3.1598 -3.1598 -2.7658 -2.7658 -1.2298 -1.2298 -0.6771 -0.6771 0.3928 0.3928 0.5623 0.5623 5.6690 5.6690 6.4143 6.4143 6.9773 6.9773 7.3620 7.3620 7.5415 7.5415 k = 0.2581 0.5110-0.2023 ( 6380 PWs) bands (ev): -17.1527 -17.1527 -17.1333 -17.1333 -16.6520 -16.6520 -16.4479 -16.4479 -12.4999 -12.4999 -12.4354 -12.4354 -10.5306 -10.5306 -10.4677 -10.4677 -7.4320 -7.4320 -7.1653 -7.1653 -6.2691 -6.2691 -6.1937 -6.1937 -5.7156 -5.7156 -5.6786 -5.6786 -5.3697 -5.3697 -5.3442 -5.3442 -4.2096 -4.2096 -3.8876 -3.8876 -3.6952 -3.6952 -3.5546 -3.5546 -3.1670 -3.1670 -2.7577 -2.7577 -1.2469 -1.2469 -0.6715 -0.6715 0.3977 0.3977 0.5667 0.5667 5.6132 5.6132 6.3962 6.3962 6.9812 6.9812 7.3980 7.3980 7.6024 7.6024 k = 0.2419 0.5110-0.2023 ( 6378 PWs) bands (ev): -17.1540 -17.1540 -17.1336 -17.1336 -16.6573 -16.6573 -16.4427 -16.4427 -12.4996 -12.4996 -12.4321 -12.4321 -10.5314 -10.5314 -10.4641 -10.4641 -7.4297 -7.4297 -7.1485 -7.1485 -6.2725 -6.2725 -6.1927 -6.1927 -5.7193 -5.7193 -5.6809 -5.6809 -5.3749 -5.3749 -5.3462 -5.3462 -4.2216 -4.2216 -3.8827 -3.8827 -3.7032 -3.7032 -3.5593 -3.5593 -3.1725 -3.1725 -2.7503 -2.7503 -1.2632 -1.2632 -0.6677 -0.6677 0.4041 0.4041 0.5706 0.5706 5.5595 5.5595 6.3802 6.3802 6.9857 6.9857 7.4358 7.4358 7.6628 7.6628 k = 0.2258 0.5110-0.2023 ( 6380 PWs) bands (ev): -17.1552 -17.1552 -17.1339 -17.1339 -16.6623 -16.6623 -16.4377 -16.4377 -12.4993 -12.4993 -12.4289 -12.4289 -10.5321 -10.5321 -10.4606 -10.4606 -7.4271 -7.4271 -7.1319 -7.1319 -6.2762 -6.2762 -6.1920 -6.1920 -5.7228 -5.7228 -5.6833 -5.6833 -5.3803 -5.3803 -5.3482 -5.3482 -4.2333 -4.2333 -3.8786 -3.8786 -3.7106 -3.7106 -3.5644 -3.5644 -3.1767 -3.1767 -2.7435 -2.7435 -1.2785 -1.2785 -0.6657 -0.6657 0.4116 0.4116 0.5742 0.5742 5.5081 5.5081 6.3661 6.3661 6.9905 6.9905 7.4750 7.4750 7.7227 7.7227 k = 0.2097 0.5110-0.2023 ( 6384 PWs) bands (ev): -17.1564 -17.1564 -17.1342 -17.1342 -16.6671 -16.6671 -16.4330 -16.4330 -12.4988 -12.4988 -12.4259 -12.4259 -10.5328 -10.5328 -10.4572 -10.4572 -7.4241 -7.4241 -7.1154 -7.1154 -6.2800 -6.2800 -6.1915 -6.1915 -5.7261 -5.7261 -5.6856 -5.6856 -5.3856 -5.3856 -5.3501 -5.3501 -4.2447 -4.2447 -3.8751 -3.8751 -3.7175 -3.7175 -3.5700 -3.5700 -3.1795 -3.1795 -2.7373 -2.7373 -1.2931 -1.2931 -0.6652 -0.6652 0.4201 0.4201 0.5773 0.5773 5.4592 5.4592 6.3538 6.3538 6.9957 6.9957 7.5159 7.5159 7.7822 7.7822 k = 0.1935 0.5110-0.2023 ( 6388 PWs) bands (ev): -17.1576 -17.1576 -17.1345 -17.1345 -16.6715 -16.6715 -16.4286 -16.4286 -12.4983 -12.4983 -12.4230 -12.4230 -10.5335 -10.5335 -10.4539 -10.4539 -7.4208 -7.4208 -7.0993 -7.0993 -6.2841 -6.2841 -6.1913 -6.1913 -5.7293 -5.7293 -5.6878 -5.6878 -5.3909 -5.3909 -5.3519 -5.3519 -4.2558 -4.2558 -3.8721 -3.8721 -3.7239 -3.7239 -3.5758 -3.5758 -3.1810 -3.1810 -2.7316 -2.7316 -1.3066 -1.3066 -0.6660 -0.6660 0.4295 0.4295 0.5801 0.5801 5.4130 5.4130 6.3430 6.3430 7.0010 7.0010 7.5581 7.5581 7.8414 7.8414 k = 0.1774 0.5110-0.2023 ( 6382 PWs) bands (ev): -17.1587 -17.1587 -17.1348 -17.1348 -16.6756 -16.6756 -16.4245 -16.4245 -12.4977 -12.4977 -12.4203 -12.4203 -10.5341 -10.5341 -10.4507 -10.4507 -7.4173 -7.4173 -7.0837 -7.0837 -6.2884 -6.2884 -6.1912 -6.1912 -5.7322 -5.7322 -5.6900 -5.6900 -5.3961 -5.3961 -5.3536 -5.3536 -4.2664 -4.2664 -3.8696 -3.8696 -3.7298 -3.7298 -3.5818 -3.5818 -3.1815 -3.1815 -2.7265 -2.7265 -1.3193 -1.3193 -0.6680 -0.6680 0.4393 0.4393 0.5825 0.5825 5.3697 5.3697 6.3337 6.3337 7.0064 7.0064 7.6016 7.6016 7.9003 7.9003 k = 0.1613 0.5110-0.2023 ( 6384 PWs) bands (ev): -17.1597 -17.1597 -17.1352 -17.1352 -16.6794 -16.6794 -16.4208 -16.4208 -12.4971 -12.4971 -12.4178 -12.4178 -10.5347 -10.5347 -10.4476 -10.4476 -7.4138 -7.4138 -7.0687 -7.0687 -6.2927 -6.2927 -6.1914 -6.1914 -5.7349 -5.7349 -5.6920 -5.6920 -5.4011 -5.4011 -5.3552 -5.3552 -4.2765 -4.2765 -3.8676 -3.8676 -3.7351 -3.7351 -3.5878 -3.5878 -3.1811 -3.1811 -2.7219 -2.7219 -1.3309 -1.3309 -0.6708 -0.6708 0.4495 0.4495 0.5847 0.5847 5.3294 5.3294 6.3258 6.3258 7.0118 7.0118 7.6462 7.6462 7.9590 7.9590 k = 0.1452 0.5110-0.2023 ( 6380 PWs) bands (ev): -17.1607 -17.1607 -17.1355 -17.1355 -16.6829 -16.6829 -16.4174 -16.4174 -12.4965 -12.4965 -12.4155 -12.4155 -10.5352 -10.5352 -10.4448 -10.4448 -7.4102 -7.4102 -7.0545 -7.0545 -6.2971 -6.2971 -6.1918 -6.1918 -5.7373 -5.7373 -5.6938 -5.6938 -5.4059 -5.4059 -5.3567 -5.3567 -4.2860 -4.2860 -3.8659 -3.8659 -3.7399 -3.7399 -3.5937 -3.5937 -3.1799 -3.1799 -2.7178 -2.7178 -1.3416 -1.3416 -0.6743 -0.6743 0.4596 0.4596 0.5865 0.5865 5.2923 5.2923 6.3190 6.3190 7.0171 7.0171 7.6916 7.6916 8.0175 8.0175 k = 0.1290 0.5110-0.2023 ( 6378 PWs) bands (ev): -17.1616 -17.1616 -17.1357 -17.1357 -16.6860 -16.6860 -16.4143 -16.4143 -12.4959 -12.4959 -12.4134 -12.4134 -10.5357 -10.5357 -10.4421 -10.4421 -7.4067 -7.4067 -7.0412 -7.0412 -6.3015 -6.3015 -6.1922 -6.1922 -5.7396 -5.7396 -5.6954 -5.6954 -5.4104 -5.4104 -5.3581 -5.3581 -4.2947 -4.2947 -3.8646 -3.8646 -3.7441 -3.7441 -3.5994 -3.5994 -3.1783 -3.1783 -2.7142 -2.7142 -1.3512 -1.3512 -0.6781 -0.6781 0.4695 0.4695 0.5881 0.5881 5.2586 5.2586 6.3132 6.3132 7.0221 7.0221 7.7376 7.7376 8.0760 8.0760 k = 0.1129 0.5110-0.2023 ( 6374 PWs) bands (ev): -17.1624 -17.1624 -17.1360 -17.1360 -16.6888 -16.6888 -16.4115 -16.4115 -12.4954 -12.4954 -12.4115 -12.4115 -10.5361 -10.5361 -10.4397 -10.4397 -7.4034 -7.4034 -7.0289 -7.0289 -6.3057 -6.3057 -6.1928 -6.1928 -5.7415 -5.7415 -5.6969 -5.6969 -5.4145 -5.4145 -5.3593 -5.3593 -4.3026 -4.3026 -3.8635 -3.8635 -3.7478 -3.7478 -3.6048 -3.6048 -3.1763 -3.1763 -2.7111 -2.7111 -1.3598 -1.3598 -0.6821 -0.6821 0.4789 0.4789 0.5894 0.5894 5.2284 5.2284 6.3084 6.3084 7.0268 7.0268 7.7836 7.7836 8.1343 8.1343 k = 0.0968 0.5110-0.2023 ( 6392 PWs) bands (ev): -17.1631 -17.1631 -17.1363 -17.1363 -16.6912 -16.6912 -16.4092 -16.4092 -12.4949 -12.4949 -12.4099 -12.4099 -10.5365 -10.5365 -10.4376 -10.4376 -7.4004 -7.4004 -7.0179 -7.0179 -6.3098 -6.3098 -6.1934 -6.1934 -5.7432 -5.7432 -5.6982 -5.6982 -5.4182 -5.4182 -5.3604 -5.3604 -4.3097 -4.3097 -3.8626 -3.8626 -3.7510 -3.7510 -3.6098 -3.6098 -3.1742 -3.1742 -2.7084 -2.7084 -1.3673 -1.3673 -0.6860 -0.6860 0.4875 0.4875 0.5905 0.5905 5.2020 5.2020 6.3045 6.3045 7.0310 7.0310 7.8290 7.8290 8.1923 8.1923 k = 0.0806 0.5110-0.2023 ( 6400 PWs) bands (ev): -17.1637 -17.1637 -17.1365 -17.1365 -16.6933 -16.6933 -16.4071 -16.4071 -12.4944 -12.4944 -12.4085 -12.4085 -10.5368 -10.5368 -10.4357 -10.4357 -7.3977 -7.3977 -7.0082 -7.0082 -6.3135 -6.3135 -6.1940 -6.1940 -5.7446 -5.7446 -5.6993 -5.6993 -5.4214 -5.4214 -5.3614 -5.3614 -4.3158 -4.3158 -3.8620 -3.8620 -3.7537 -3.7537 -3.6142 -3.6142 -3.1721 -3.1721 -2.7061 -2.7061 -1.3737 -1.3737 -0.6897 -0.6897 0.4952 0.4952 0.5914 0.5914 5.1793 5.1793 6.3013 6.3013 7.0348 7.0348 7.8730 7.8730 8.2496 8.2496 k = 0.0645 0.5110-0.2023 ( 6398 PWs) bands (ev): -17.1642 -17.1642 -17.1366 -17.1366 -16.6950 -16.6950 -16.4055 -16.4055 -12.4941 -12.4941 -12.4073 -12.4073 -10.5371 -10.5371 -10.4342 -10.4342 -7.3953 -7.3953 -7.0001 -7.0001 -6.3167 -6.3167 -6.1945 -6.1945 -5.7458 -5.7458 -5.7001 -5.7001 -5.4241 -5.4241 -5.3621 -5.3621 -4.3209 -4.3209 -3.8614 -3.8614 -3.7558 -3.7558 -3.6179 -3.6179 -3.1702 -3.1702 -2.7043 -2.7043 -1.3790 -1.3790 -0.6930 -0.6930 0.5017 0.5017 0.5921 0.5921 5.1606 5.1606 6.2988 6.2988 7.0380 7.0380 7.9142 7.9142 8.3058 8.3058 k = 0.0484 0.5110-0.2023 ( 6394 PWs) bands (ev): -17.1646 -17.1646 -17.1368 -17.1368 -16.6963 -16.6963 -16.4042 -16.4042 -12.4937 -12.4937 -12.4064 -12.4064 -10.5373 -10.5373 -10.4329 -10.4329 -7.3935 -7.3935 -6.9936 -6.9936 -6.3193 -6.3193 -6.1950 -6.1950 -5.7467 -5.7467 -5.7008 -5.7008 -5.4263 -5.4263 -5.3627 -5.3627 -4.3249 -4.3249 -3.8610 -3.8610 -3.7575 -3.7575 -3.6209 -3.6209 -3.1686 -3.1686 -2.7028 -2.7028 -1.3831 -1.3831 -0.6957 -0.6957 0.5070 0.5070 0.5927 0.5927 5.1460 5.1460 6.2969 6.2969 7.0405 7.0405 7.9509 7.9509 8.3596 8.3596 k = 0.0323 0.5110-0.2023 ( 6398 PWs) bands (ev): -17.1649 -17.1649 -17.1369 -17.1369 -16.6972 -16.6972 -16.4032 -16.4032 -12.4935 -12.4935 -12.4057 -12.4057 -10.5375 -10.5375 -10.4320 -10.4320 -7.3921 -7.3921 -6.9888 -6.9888 -6.3213 -6.3213 -6.1953 -6.1953 -5.7474 -5.7474 -5.7013 -5.7013 -5.4279 -5.4279 -5.3632 -5.3632 -4.3278 -4.3278 -3.8607 -3.8607 -3.7587 -3.7587 -3.6231 -3.6231 -3.1674 -3.1674 -2.7018 -2.7018 -1.3860 -1.3860 -0.6977 -0.6977 0.5109 0.5109 0.5930 0.5930 5.1354 5.1354 6.2955 6.2955 7.0424 7.0424 7.9805 7.9805 8.4081 8.4081 k = 0.0161 0.5110-0.2023 ( 6398 PWs) bands (ev): -17.1650 -17.1650 -17.1369 -17.1369 -16.6978 -16.6978 -16.4027 -16.4027 -12.4934 -12.4934 -12.4053 -12.4053 -10.5376 -10.5376 -10.4315 -10.4315 -7.3913 -7.3913 -6.9860 -6.9860 -6.3225 -6.3225 -6.1955 -6.1955 -5.7478 -5.7478 -5.7016 -5.7016 -5.4288 -5.4288 -5.3634 -5.3634 -4.3295 -4.3295 -3.8606 -3.8606 -3.7594 -3.7594 -3.6244 -3.6244 -3.1666 -3.1666 -2.7012 -2.7012 -1.3878 -1.3878 -0.6989 -0.6989 0.5132 0.5132 0.5933 0.5933 5.1291 5.1291 6.2948 6.2948 7.0435 7.0435 8.0001 8.0001 8.4454 8.4454 k = 0.0000 0.5110-0.2023 ( 6400 PWs) bands (ev): -17.1651 -17.1651 -17.1370 -17.1370 -16.6980 -16.6980 -16.4025 -16.4025 -12.4933 -12.4933 -12.4052 -12.4052 -10.5376 -10.5376 -10.4313 -10.4313 -7.3910 -7.3910 -6.9850 -6.9850 -6.3229 -6.3229 -6.1956 -6.1956 -5.7479 -5.7479 -5.7017 -5.7017 -5.4291 -5.4291 -5.3635 -5.3635 -4.3301 -4.3301 -3.8605 -3.8605 -3.7596 -3.7596 -3.6249 -3.6249 -3.1664 -3.1664 -2.7010 -2.7010 -1.3884 -1.3884 -0.6993 -0.6993 0.5140 0.5140 0.5933 0.5933 5.1270 5.1270 6.2945 6.2945 7.0439 7.0439 8.0070 8.0070 8.4603 8.4603 k = 0.0000 0.5110-0.2023 ( 6400 PWs) bands (ev): -17.1651 -17.1651 -17.1370 -17.1370 -16.6980 -16.6980 -16.4025 -16.4025 -12.4933 -12.4933 -12.4052 -12.4052 -10.5376 -10.5376 -10.4313 -10.4313 -7.3910 -7.3910 -6.9850 -6.9850 -6.3229 -6.3229 -6.1956 -6.1956 -5.7479 -5.7479 -5.7017 -5.7017 -5.4291 -5.4291 -5.3635 -5.3635 -4.3301 -4.3301 -3.8605 -3.8605 -3.7596 -3.7596 -3.6249 -3.6249 -3.1664 -3.1664 -2.7010 -2.7010 -1.3884 -1.3884 -0.6993 -0.6993 0.5140 0.5140 0.5933 0.5933 5.1270 5.1270 6.2945 6.2945 7.0439 7.0439 8.0070 8.0070 8.4603 8.4603 k = 0.0000 0.5170-0.1870 ( 6401 PWs) bands (ev): -17.1653 -17.1653 -17.1369 -17.1369 -16.6978 -16.6978 -16.4026 -16.4026 -12.4932 -12.4932 -12.4054 -12.4054 -10.5373 -10.5373 -10.4314 -10.4314 -7.3907 -7.3907 -6.9857 -6.9857 -6.3225 -6.3225 -6.1963 -6.1963 -5.7478 -5.7478 -5.7017 -5.7017 -5.4289 -5.4289 -5.3637 -5.3637 -4.3299 -4.3299 -3.8608 -3.8608 -3.7592 -3.7592 -3.6251 -3.6251 -3.1662 -3.1662 -2.7016 -2.7016 -1.3874 -1.3874 -0.6994 -0.6994 0.5142 0.5142 0.5923 0.5923 5.1293 5.1293 6.2952 6.2952 7.0372 7.0372 8.0117 8.0117 8.4539 8.4539 k = 0.0000 0.5231-0.1717 ( 6407 PWs) bands (ev): -17.1659 -17.1659 -17.1366 -17.1366 -16.6972 -16.6972 -16.4030 -16.4030 -12.4926 -12.4926 -12.4059 -12.4059 -10.5363 -10.5363 -10.4315 -10.4315 -7.3898 -7.3898 -6.9876 -6.9876 -6.3212 -6.3212 -6.1981 -6.1981 -5.7477 -5.7477 -5.7017 -5.7017 -5.4283 -5.4283 -5.3643 -5.3643 -4.3291 -4.3291 -3.8618 -3.8618 -3.7580 -3.7580 -3.6259 -3.6259 -3.1659 -3.1659 -2.7033 -2.7033 -1.3844 -1.3844 -0.6998 -0.6998 0.5146 0.5146 0.5893 0.5893 5.1362 5.1362 6.2973 6.2973 7.0179 7.0179 8.0254 8.0254 8.4420 8.4420 k = 0.0000 0.5292-0.1564 ( 6403 PWs) bands (ev): -17.1668 -17.1668 -17.1362 -17.1362 -16.6962 -16.6962 -16.4037 -16.4037 -12.4918 -12.4918 -12.4067 -12.4067 -10.5347 -10.5347 -10.4318 -10.4318 -7.3884 -7.3884 -6.9909 -6.9909 -6.3191 -6.3191 -6.2012 -6.2012 -5.7474 -5.7474 -5.7017 -5.7017 -5.4272 -5.4272 -5.3653 -5.3653 -4.3278 -4.3278 -3.8634 -3.8634 -3.7560 -3.7560 -3.6272 -3.6272 -3.1653 -3.1653 -2.7062 -2.7062 -1.3795 -1.3795 -0.7003 -0.7003 0.5153 0.5153 0.5842 0.5842 5.1476 5.1476 6.3007 6.3007 6.9871 6.9871 8.0465 8.0465 8.4298 8.4298 k = 0.0000 0.5352-0.1411 ( 6399 PWs) bands (ev): -17.1682 -17.1682 -17.1355 -17.1355 -16.6947 -16.6947 -16.4046 -16.4046 -12.4906 -12.4906 -12.4078 -12.4078 -10.5324 -10.5324 -10.4322 -10.4322 -7.3864 -7.3864 -6.9954 -6.9954 -6.3162 -6.3162 -6.2056 -6.2056 -5.7469 -5.7469 -5.7018 -5.7018 -5.4257 -5.4257 -5.3667 -5.3667 -4.3260 -4.3260 -3.8655 -3.8655 -3.7533 -3.7533 -3.6291 -3.6291 -3.1644 -3.1644 -2.7102 -2.7102 -1.3726 -1.3726 -0.7012 -0.7012 0.5162 0.5162 0.5773 0.5773 5.1635 5.1635 6.3057 6.3057 6.9469 6.9469 8.0726 8.0726 8.4184 8.4184 k = 0.0000 0.5413-0.1258 ( 6385 PWs) bands (ev): -17.1699 -17.1699 -17.1347 -17.1347 -16.6929 -16.6929 -16.4058 -16.4058 -12.4890 -12.4890 -12.4093 -12.4093 -10.5294 -10.5294 -10.4326 -10.4326 -7.3838 -7.3838 -7.0011 -7.0011 -6.3125 -6.3125 -6.2110 -6.2110 -5.7463 -5.7463 -5.7019 -5.7019 -5.4238 -5.4238 -5.3684 -5.3684 -4.3236 -4.3236 -3.8683 -3.8683 -3.7499 -3.7499 -3.6315 -3.6315 -3.1631 -3.1631 -2.7152 -2.7152 -1.3639 -1.3639 -0.7023 -0.7023 0.5175 0.5175 0.5686 0.5686 5.1838 5.1838 6.3121 6.3121 6.8991 6.8991 8.1014 8.1014 8.4084 8.4084 k = 0.0000 0.5473-0.1105 ( 6385 PWs) bands (ev): -17.1720 -17.1720 -17.1337 -17.1337 -16.6907 -16.6907 -16.4072 -16.4072 -12.4872 -12.4872 -12.4110 -12.4110 -10.5259 -10.5259 -10.4332 -10.4332 -7.3806 -7.3806 -7.0080 -7.0080 -6.3080 -6.3080 -6.2175 -6.2175 -5.7456 -5.7456 -5.7022 -5.7022 -5.4216 -5.4216 -5.3706 -5.3706 -4.3208 -4.3208 -3.8716 -3.8716 -3.7458 -3.7458 -3.6345 -3.6345 -3.1614 -3.1614 -2.7213 -2.7213 -1.3534 -1.3534 -0.7037 -0.7037 0.5190 0.5190 0.5581 0.5581 5.2083 5.2083 6.3202 6.3202 6.8456 6.8456 8.1301 8.1301 8.3999 8.3999 k = 0.0000 0.5534-0.0952 ( 6382 PWs) bands (ev): -17.1744 -17.1744 -17.1326 -17.1326 -16.6880 -16.6880 -16.4088 -16.4088 -12.4850 -12.4850 -12.4131 -12.4131 -10.5218 -10.5218 -10.4339 -10.4339 -7.3769 -7.3769 -7.0160 -7.0160 -6.3028 -6.3028 -6.2251 -6.2251 -5.7447 -5.7447 -5.7026 -5.7026 -5.4191 -5.4191 -5.3731 -5.3731 -4.3174 -4.3174 -3.8753 -3.8753 -3.7411 -3.7411 -3.6382 -3.6382 -3.1593 -3.1593 -2.7284 -2.7284 -1.3411 -1.3411 -0.7055 -0.7055 0.5207 0.5207 0.5461 0.5461 5.2368 5.2368 6.3299 6.3299 6.7879 6.7879 8.1560 8.1560 8.3552 8.3552 k = 0.0000 0.5595-0.0799 ( 6383 PWs) bands (ev): -17.1772 -17.1772 -17.1314 -17.1314 -16.6850 -16.6850 -16.4107 -16.4107 -12.4825 -12.4825 -12.4154 -12.4154 -10.5172 -10.5172 -10.4347 -10.4347 -7.3726 -7.3726 -7.0250 -7.0250 -6.2969 -6.2969 -6.2336 -6.2336 -5.7437 -5.7437 -5.7033 -5.7033 -5.4164 -5.4164 -5.3761 -5.3761 -4.3136 -4.3136 -3.8796 -3.8796 -3.7358 -3.7358 -3.6425 -3.6425 -3.1567 -3.1567 -2.7365 -2.7365 -1.3271 -1.3271 -0.7076 -0.7076 0.5226 0.5226 0.5328 0.5328 5.2692 5.2692 6.3415 6.3415 6.7271 6.7271 8.1748 8.1748 8.3094 8.3094 k = 0.0000 0.5655-0.0646 ( 6379 PWs) bands (ev): -17.1802 -17.1802 -17.1300 -17.1300 -16.6817 -16.6817 -16.4128 -16.4128 -12.4797 -12.4797 -12.4180 -12.4180 -10.5120 -10.5120 -10.4355 -10.4355 -7.3678 -7.3678 -7.0350 -7.0350 -6.2903 -6.2903 -6.2430 -6.2430 -5.7425 -5.7425 -5.7041 -5.7041 -5.4134 -5.4134 -5.3794 -5.3794 -4.3092 -4.3092 -3.8843 -3.8843 -3.7300 -3.7300 -3.6475 -3.6475 -3.1534 -3.1534 -2.7453 -2.7453 -1.3116 -1.3116 -0.7102 -0.7102 0.5174 0.5174 0.5257 0.5257 5.3052 5.3052 6.3551 6.3551 6.6644 6.6644 8.1776 8.1776 8.2760 8.2760 k = 0.0000 0.5716-0.0493 ( 6372 PWs) bands (ev): -17.1836 -17.1836 -17.1284 -17.1284 -16.6779 -16.6779 -16.4152 -16.4152 -12.4766 -12.4766 -12.4208 -12.4208 -10.5063 -10.5063 -10.4365 -10.4365 -7.3624 -7.3624 -7.0458 -7.0458 -6.2831 -6.2831 -6.2532 -6.2532 -5.7412 -5.7412 -5.7053 -5.7053 -5.4103 -5.4103 -5.3830 -5.3830 -4.3044 -4.3044 -3.8895 -3.8895 -3.7238 -3.7238 -3.6532 -3.6532 -3.1495 -3.1495 -2.7550 -2.7550 -1.2946 -1.2946 -0.7133 -0.7133 0.5019 0.5019 0.5280 0.5280 5.3447 5.3447 6.3707 6.3707 6.6004 6.6004 8.1545 8.1545 8.2640 8.2640 k = 0.0000 0.5776-0.0340 ( 6381 PWs) bands (ev): -17.1873 -17.1873 -17.1268 -17.1268 -16.6739 -16.6739 -16.4177 -16.4177 -12.4732 -12.4732 -12.4239 -12.4239 -10.5001 -10.5001 -10.4376 -10.4376 -7.3565 -7.3565 -7.0575 -7.0575 -6.2754 -6.2754 -6.2640 -6.2640 -5.7397 -5.7397 -5.7068 -5.7068 -5.4070 -5.4070 -5.3871 -5.3871 -4.2991 -4.2991 -3.8951 -3.8951 -3.7171 -3.7171 -3.6597 -3.6597 -3.1449 -3.1449 -2.7654 -2.7654 -1.2762 -1.2762 -0.7168 -0.7168 0.4853 0.4853 0.5309 0.5309 5.3874 5.3874 6.3886 6.3886 6.5360 6.5360 8.1143 8.1143 8.2643 8.2643 k = 0.0000 0.5837-0.0187 ( 6383 PWs) bands (ev): -17.1912 -17.1912 -17.1251 -17.1251 -16.6695 -16.6695 -16.4205 -16.4205 -12.4696 -12.4696 -12.4271 -12.4271 -10.4936 -10.4936 -10.4388 -10.4388 -7.3500 -7.3500 -7.0698 -7.0698 -6.2757 -6.2757 -6.2669 -6.2669 -5.7380 -5.7380 -5.7087 -5.7087 -5.4037 -5.4037 -5.3915 -5.3915 -4.2933 -4.2933 -3.9010 -3.9010 -3.7100 -3.7100 -3.6670 -3.6670 -3.1394 -3.1394 -2.7765 -2.7765 -1.2566 -1.2566 -0.7210 -0.7210 0.4680 0.4680 0.5340 0.5340 5.4330 5.4330 6.4089 6.4089 6.4715 6.4715 8.0686 8.0686 8.2653 8.2653 k = 0.5000 0.4383 0.3860 ( 6366 PWs) bands (ev): -17.1389 -17.1389 -17.1389 -17.1389 -16.5486 -16.5486 -16.5486 -16.5486 -12.4780 -12.4780 -12.4779 -12.4779 -10.5076 -10.5076 -10.5075 -10.5075 -7.3645 -7.3645 -7.3642 -7.3642 -6.2349 -6.2349 -6.2348 -6.2348 -5.6880 -5.6880 -5.6877 -5.6877 -5.3416 -5.3416 -5.3416 -5.3416 -4.0055 -4.0055 -4.0052 -4.0052 -3.6192 -3.6192 -3.6186 -3.6186 -2.9076 -2.9076 -2.9067 -2.9067 -0.9447 -0.9447 -0.9442 -0.9442 0.4487 0.4487 0.4489 0.4489 6.6201 6.6201 6.6205 6.6205 6.9100 6.9100 6.9103 6.9103 7.2516 7.2516 k = 0.5000 0.4220 0.3860 ( 6366 PWs) bands (ev): -17.1411 -17.1411 -17.1411 -17.1411 -16.5472 -16.5472 -16.5472 -16.5472 -12.4760 -12.4760 -12.4760 -12.4760 -10.5025 -10.5025 -10.5024 -10.5024 -7.3684 -7.3684 -7.3681 -7.3681 -6.2331 -6.2331 -6.2331 -6.2331 -5.6930 -5.6930 -5.6927 -5.6927 -5.3461 -5.3461 -5.3460 -5.3460 -4.0089 -4.0089 -4.0086 -4.0086 -3.6214 -3.6214 -3.6208 -3.6208 -2.9052 -2.9052 -2.9044 -2.9044 -0.9360 -0.9360 -0.9355 -0.9355 0.4411 0.4411 0.4413 0.4413 6.6205 6.6205 6.6210 6.6210 6.9496 6.9496 6.9499 6.9499 7.2440 7.2441 k = 0.5000 0.4058 0.3860 ( 6364 PWs) bands (ev): -17.1437 -17.1437 -17.1437 -17.1437 -16.5455 -16.5455 -16.5455 -16.5455 -12.4737 -12.4737 -12.4737 -12.4737 -10.4965 -10.4965 -10.4964 -10.4964 -7.3735 -7.3735 -7.3732 -7.3732 -6.2304 -6.2304 -6.2304 -6.2304 -5.6992 -5.6992 -5.6990 -5.6990 -5.3513 -5.3513 -5.3513 -5.3513 -4.0122 -4.0122 -4.0120 -4.0120 -3.6249 -3.6249 -3.6244 -3.6244 -2.9018 -2.9018 -2.9011 -2.9011 -0.9265 -0.9265 -0.9261 -0.9261 0.4330 0.4330 0.4331 0.4331 6.6169 6.6169 6.6174 6.6174 6.9964 6.9964 6.9966 6.9966 7.2411 7.2411 k = 0.5000 0.3896 0.3860 ( 6366 PWs) bands (ev): -17.1466 -17.1466 -17.1466 -17.1466 -16.5435 -16.5435 -16.5435 -16.5435 -12.4710 -12.4710 -12.4710 -12.4710 -10.4897 -10.4897 -10.4896 -10.4896 -7.3796 -7.3796 -7.3793 -7.3793 -6.2268 -6.2268 -6.2267 -6.2267 -5.7066 -5.7066 -5.7064 -5.7064 -5.3574 -5.3574 -5.3573 -5.3573 -4.0154 -4.0154 -4.0152 -4.0152 -3.6296 -3.6296 -3.6292 -3.6292 -2.8974 -2.8974 -2.8967 -2.8967 -0.9164 -0.9164 -0.9160 -0.9160 0.4243 0.4243 0.4244 0.4244 6.6104 6.6104 6.6109 6.6109 7.0483 7.0483 7.0485 7.0485 7.2434 7.2434 k = 0.5000 0.3733 0.3860 ( 6370 PWs) bands (ev): -17.1499 -17.1499 -17.1499 -17.1499 -16.5414 -16.5414 -16.5414 -16.5414 -12.4680 -12.4680 -12.4679 -12.4679 -10.4821 -10.4821 -10.4820 -10.4820 -7.3866 -7.3866 -7.3863 -7.3863 -6.2223 -6.2223 -6.2223 -6.2223 -5.7151 -5.7151 -5.7149 -5.7149 -5.3642 -5.3642 -5.3641 -5.3641 -4.0184 -4.0184 -4.0182 -4.0182 -3.6356 -3.6356 -3.6352 -3.6352 -2.8919 -2.8919 -2.8914 -2.8914 -0.9057 -0.9057 -0.9054 -0.9054 0.4151 0.4151 0.4152 0.4152 6.6016 6.6016 6.6022 6.6022 7.1028 7.1028 7.1029 7.1029 7.2523 7.2523 k = 0.5000 0.3571 0.3860 ( 6366 PWs) bands (ev): -17.1534 -17.1534 -17.1534 -17.1534 -16.5390 -16.5390 -16.5390 -16.5390 -12.4646 -12.4646 -12.4646 -12.4646 -10.4737 -10.4737 -10.4737 -10.4737 -7.3945 -7.3945 -7.3942 -7.3942 -6.2171 -6.2171 -6.2170 -6.2170 -5.7245 -5.7245 -5.7243 -5.7243 -5.3717 -5.3717 -5.3717 -5.3717 -4.0211 -4.0211 -4.0210 -4.0210 -3.6427 -3.6427 -3.6423 -3.6423 -2.8855 -2.8855 -2.8850 -2.8850 -0.8945 -0.8945 -0.8943 -0.8943 0.4055 0.4055 0.4057 0.4057 6.5912 6.5912 6.5918 6.5918 7.1557 7.1557 7.1558 7.1558 7.2711 7.2711 k = 0.5000 0.3409 0.3860 ( 6360 PWs) bands (ev): -17.1572 -17.1572 -17.1572 -17.1572 -16.5365 -16.5365 -16.5365 -16.5365 -12.4610 -12.4610 -12.4610 -12.4610 -10.4648 -10.4648 -10.4647 -10.4647 -7.4031 -7.4031 -7.4028 -7.4028 -6.2112 -6.2112 -6.2111 -6.2111 -5.7348 -5.7348 -5.7345 -5.7345 -5.3800 -5.3800 -5.3799 -5.3799 -4.0235 -4.0235 -4.0234 -4.0234 -3.6509 -3.6509 -3.6506 -3.6506 -2.8782 -2.8782 -2.8778 -2.8778 -0.8829 -0.8829 -0.8828 -0.8828 0.3956 0.3956 0.3958 0.3958 6.5794 6.5794 6.5800 6.5800 7.1996 7.1996 7.2001 7.2001 7.3064 7.3064 k = 0.5000 0.3246 0.3860 ( 6358 PWs) bands (ev): -17.1612 -17.1612 -17.1612 -17.1612 -16.5339 -16.5339 -16.5339 -16.5339 -12.4571 -12.4571 -12.4571 -12.4571 -10.4553 -10.4553 -10.4552 -10.4552 -7.4124 -7.4124 -7.4120 -7.4120 -6.2048 -6.2048 -6.2047 -6.2047 -5.7457 -5.7457 -5.7455 -5.7455 -5.3889 -5.3889 -5.3889 -5.3889 -4.0255 -4.0255 -4.0255 -4.0255 -3.6600 -3.6600 -3.6598 -3.6598 -2.8701 -2.8701 -2.8698 -2.8698 -0.8710 -0.8710 -0.8710 -0.8710 0.3854 0.3854 0.3857 0.3857 6.5665 6.5665 6.5671 6.5671 7.2314 7.2314 7.2321 7.2321 7.3609 7.3609 k = 0.5000 0.3084 0.3860 ( 6360 PWs) bands (ev): -17.1653 -17.1653 -17.1653 -17.1653 -16.5312 -16.5312 -16.5312 -16.5312 -12.4530 -12.4530 -12.4530 -12.4530 -10.4453 -10.4453 -10.4452 -10.4452 -7.4222 -7.4222 -7.4218 -7.4218 -6.1979 -6.1979 -6.1978 -6.1978 -5.7572 -5.7572 -5.7570 -5.7570 -5.3985 -5.3985 -5.3984 -5.3984 -4.0271 -4.0271 -4.0271 -4.0271 -3.6701 -3.6701 -3.6699 -3.6699 -2.8613 -2.8613 -2.8610 -2.8610 -0.8591 -0.8591 -0.8590 -0.8590 0.3750 0.3750 0.3754 0.3754 6.5526 6.5526 6.5533 6.5533 7.2565 7.2565 7.2571 7.2571 7.4286 7.4286 k = 0.5000 0.2922 0.3860 ( 6358 PWs) bands (ev): -17.1695 -17.1695 -17.1695 -17.1695 -16.5285 -16.5285 -16.5285 -16.5285 -12.4487 -12.4487 -12.4487 -12.4487 -10.4349 -10.4349 -10.4348 -10.4348 -7.4323 -7.4323 -7.4319 -7.4319 -6.1906 -6.1906 -6.1906 -6.1906 -5.7691 -5.7691 -5.7689 -5.7689 -5.4085 -5.4085 -5.4084 -5.4084 -4.0282 -4.0282 -4.0282 -4.0282 -3.6810 -3.6810 -3.6809 -3.6809 -2.8519 -2.8519 -2.8517 -2.8517 -0.8470 -0.8470 -0.8469 -0.8469 0.3646 0.3646 0.3651 0.3651 6.5380 6.5380 6.5387 6.5387 7.2796 7.2796 7.2803 7.2803 7.5038 7.5038 k = 0.5000 0.2759 0.3860 ( 6366 PWs) bands (ev): -17.1738 -17.1738 -17.1738 -17.1738 -16.5257 -16.5257 -16.5257 -16.5257 -12.4444 -12.4444 -12.4444 -12.4444 -10.4243 -10.4243 -10.4242 -10.4242 -7.4427 -7.4427 -7.4423 -7.4423 -6.1831 -6.1831 -6.1831 -6.1831 -5.7814 -5.7814 -5.7812 -5.7812 -5.4189 -5.4189 -5.4189 -5.4189 -4.0289 -4.0289 -4.0288 -4.0288 -3.6926 -3.6926 -3.6925 -3.6925 -2.8421 -2.8421 -2.8420 -2.8420 -0.8351 -0.8351 -0.8349 -0.8349 0.3541 0.3541 0.3547 0.3547 6.5228 6.5228 6.5236 6.5236 7.3028 7.3028 7.3036 7.3036 7.5838 7.5838 k = 0.5000 0.2597 0.3860 ( 6366 PWs) bands (ev): -17.1781 -17.1781 -17.1781 -17.1781 -16.5229 -16.5229 -16.5229 -16.5229 -12.4399 -12.4399 -12.4399 -12.4399 -10.4136 -10.4136 -10.4135 -10.4135 -7.4532 -7.4532 -7.4528 -7.4528 -6.1754 -6.1754 -6.1754 -6.1754 -5.7938 -5.7938 -5.7936 -5.7936 -5.4297 -5.4297 -5.4296 -5.4296 -4.0289 -4.0289 -4.0288 -4.0288 -3.7047 -3.7047 -3.7046 -3.7046 -2.8319 -2.8319 -2.8318 -2.8318 -0.8232 -0.8232 -0.8229 -0.8229 0.3437 0.3437 0.3444 0.3444 6.5074 6.5074 6.5081 6.5081 7.3267 7.3267 7.3275 7.3275 7.6674 7.6674 k = 0.5000 0.2435 0.3860 ( 6378 PWs) bands (ev): -17.1824 -17.1824 -17.1824 -17.1824 -16.5202 -16.5202 -16.5202 -16.5202 -12.4353 -12.4353 -12.4353 -12.4353 -10.4027 -10.4027 -10.4026 -10.4026 -7.4638 -7.4638 -7.4634 -7.4634 -6.1676 -6.1676 -6.1676 -6.1676 -5.8064 -5.8064 -5.8062 -5.8062 -5.4407 -5.4407 -5.4407 -5.4407 -4.0284 -4.0284 -4.0283 -4.0283 -3.7174 -3.7174 -3.7173 -3.7173 -2.8216 -2.8216 -2.8215 -2.8215 -0.8116 -0.8116 -0.8112 -0.8112 0.3335 0.3335 0.3343 0.3343 6.4917 6.4917 6.4925 6.4925 7.3511 7.3511 7.3520 7.3520 7.7538 7.7538 k = 0.5000 0.2273 0.3860 ( 6378 PWs) bands (ev): -17.1866 -17.1866 -17.1866 -17.1866 -16.5175 -16.5175 -16.5175 -16.5175 -12.4308 -12.4308 -12.4308 -12.4308 -10.3920 -10.3920 -10.3919 -10.3919 -7.4742 -7.4742 -7.4738 -7.4738 -6.1598 -6.1598 -6.1598 -6.1598 -5.8189 -5.8189 -5.8187 -5.8187 -5.4519 -5.4519 -5.4518 -5.4518 -4.0273 -4.0273 -4.0271 -4.0271 -3.7303 -3.7303 -3.7302 -3.7302 -2.8111 -2.8111 -2.8111 -2.8111 -0.8003 -0.8003 -0.7998 -0.7998 0.3235 0.3235 0.3244 0.3244 6.4762 6.4762 6.4769 6.4769 7.3760 7.3760 7.3769 7.3769 7.8424 7.8424 k = 0.5000 0.2110 0.3860 ( 6376 PWs) bands (ev): -17.1907 -17.1907 -17.1907 -17.1907 -16.5149 -16.5149 -16.5149 -16.5149 -12.4263 -12.4263 -12.4263 -12.4263 -10.3813 -10.3813 -10.3812 -10.3812 -7.4844 -7.4844 -7.4840 -7.4840 -6.1521 -6.1521 -6.1521 -6.1521 -5.8313 -5.8313 -5.8311 -5.8311 -5.4630 -5.4630 -5.4629 -5.4629 -4.0256 -4.0256 -4.0254 -4.0254 -3.7434 -3.7434 -3.7434 -3.7434 -2.8007 -2.8007 -2.8007 -2.8007 -0.7894 -0.7894 -0.7889 -0.7889 0.3139 0.3139 0.3148 0.3148 6.4608 6.4608 6.4616 6.4616 7.4010 7.4010 7.4019 7.4019 7.9328 7.9328 k = 0.5000 0.1948 0.3860 ( 6364 PWs) bands (ev): -17.1946 -17.1946 -17.1946 -17.1946 -16.5124 -16.5124 -16.5124 -16.5124 -12.4219 -12.4219 -12.4219 -12.4219 -10.3709 -10.3709 -10.3708 -10.3708 -7.4943 -7.4943 -7.4938 -7.4938 -6.1444 -6.1444 -6.1444 -6.1444 -5.8434 -5.8434 -5.8432 -5.8432 -5.4740 -5.4740 -5.4739 -5.4739 -4.0233 -4.0233 -4.0230 -4.0230 -3.7567 -3.7567 -3.7567 -3.7567 -2.7905 -2.7905 -2.7904 -2.7904 -0.7789 -0.7789 -0.7784 -0.7784 0.3046 0.3046 0.3056 0.3056 6.4459 6.4459 6.4467 6.4467 7.4258 7.4258 7.4268 7.4268 8.0245 8.0245 k = 0.5000 0.1786 0.3860 ( 6372 PWs) bands (ev): -17.1984 -17.1984 -17.1984 -17.1984 -16.5101 -16.5101 -16.5101 -16.5101 -12.4176 -12.4176 -12.4176 -12.4176 -10.3609 -10.3609 -10.3608 -10.3608 -7.5038 -7.5038 -7.5033 -7.5033 -6.1370 -6.1370 -6.1370 -6.1370 -5.8552 -5.8552 -5.8550 -5.8550 -5.4848 -5.4848 -5.4847 -5.4847 -4.0203 -4.0203 -4.0200 -4.0200 -3.7700 -3.7700 -3.7700 -3.7700 -2.7806 -2.7806 -2.7805 -2.7805 -0.7691 -0.7691 -0.7685 -0.7685 0.2958 0.2958 0.2968 0.2968 6.4316 6.4316 6.4323 6.4323 7.4501 7.4501 7.4510 7.4510 8.1171 8.1171 k = 0.5000 0.1623 0.3860 ( 6384 PWs) bands (ev): -17.2019 -17.2019 -17.2019 -17.2019 -16.5079 -16.5079 -16.5079 -16.5079 -12.4136 -12.4136 -12.4136 -12.4136 -10.3514 -10.3514 -10.3513 -10.3513 -7.5127 -7.5127 -7.5123 -7.5123 -6.1299 -6.1299 -6.1299 -6.1299 -5.8665 -5.8665 -5.8664 -5.8664 -5.4952 -5.4952 -5.4951 -5.4951 -4.0168 -4.0168 -4.0164 -4.0164 -3.7832 -3.7832 -3.7832 -3.7832 -2.7711 -2.7711 -2.7710 -2.7710 -0.7599 -0.7599 -0.7592 -0.7592 0.2875 0.2875 0.2886 0.2886 6.4179 6.4179 6.4187 6.4187 7.4734 7.4734 7.4744 7.4744 8.2100 8.2102 k = 0.5000 0.1461 0.3860 ( 6378 PWs) bands (ev): -17.2052 -17.2052 -17.2052 -17.2052 -16.5059 -16.5059 -16.5059 -16.5059 -12.4097 -12.4097 -12.4097 -12.4097 -10.3425 -10.3425 -10.3424 -10.3424 -7.5211 -7.5211 -7.5207 -7.5207 -6.1230 -6.1230 -6.1230 -6.1230 -5.8772 -5.8772 -5.8771 -5.8771 -5.5050 -5.5050 -5.5050 -5.5050 -4.0127 -4.0127 -4.0123 -4.0123 -3.7962 -3.7962 -3.7962 -3.7962 -2.7621 -2.7621 -2.7620 -2.7620 -0.7514 -0.7514 -0.7507 -0.7507 0.2798 0.2798 0.2810 0.2810 6.4051 6.4051 6.4059 6.4059 7.4955 7.4955 7.4965 7.4965 8.3028 8.3030 k = 0.5000 0.1299 0.3860 ( 6378 PWs) bands (ev): -17.2082 -17.2082 -17.2082 -17.2082 -16.5040 -16.5040 -16.5040 -16.5040 -12.4062 -12.4062 -12.4061 -12.4061 -10.3342 -10.3342 -10.3340 -10.3340 -7.5288 -7.5288 -7.5283 -7.5283 -6.1165 -6.1165 -6.1165 -6.1165 -5.8873 -5.8873 -5.8872 -5.8872 -5.5143 -5.5143 -5.5142 -5.5142 -4.0082 -4.0082 -4.0077 -4.0077 -3.8089 -3.8089 -3.8088 -3.8088 -2.7538 -2.7538 -2.7537 -2.7537 -0.7437 -0.7437 -0.7429 -0.7429 0.2728 0.2728 0.2740 0.2740 6.3933 6.3933 6.3941 6.3941 7.5161 7.5161 7.5172 7.5172 8.3949 8.3951 k = 0.5000 0.1136 0.3860 ( 6382 PWs) bands (ev): -17.2109 -17.2109 -17.2109 -17.2109 -16.5024 -16.5024 -16.5024 -16.5024 -12.4029 -12.4029 -12.4029 -12.4029 -10.3266 -10.3266 -10.3265 -10.3265 -7.5358 -7.5358 -7.5353 -7.5353 -6.1105 -6.1105 -6.1105 -6.1105 -5.8966 -5.8966 -5.8965 -5.8965 -5.5228 -5.5228 -5.5228 -5.5228 -4.0032 -4.0032 -4.0027 -4.0027 -3.8211 -3.8211 -3.8210 -3.8210 -2.7462 -2.7462 -2.7461 -2.7461 -0.7368 -0.7368 -0.7359 -0.7359 0.2664 0.2664 0.2677 0.2677 6.3826 6.3826 6.3834 6.3834 7.5350 7.5350 7.5361 7.5361 8.4856 8.4858 k = 0.5000 0.0974 0.3860 ( 6380 PWs) bands (ev): -17.2133 -17.2133 -17.2133 -17.2133 -16.5009 -16.5009 -16.5009 -16.5009 -12.4000 -12.4000 -12.4000 -12.4000 -10.3199 -10.3199 -10.3198 -10.3198 -7.5419 -7.5419 -7.5415 -7.5415 -6.1050 -6.1050 -6.1049 -6.1049 -5.9050 -5.9050 -5.9049 -5.9049 -5.5304 -5.5304 -5.5304 -5.5304 -3.9980 -3.9980 -3.9974 -3.9974 -3.8328 -3.8328 -3.8326 -3.8326 -2.7395 -2.7395 -2.7393 -2.7393 -0.7307 -0.7307 -0.7298 -0.7298 0.2609 0.2609 0.2622 0.2622 6.3731 6.3731 6.3739 6.3739 7.5519 7.5519 7.5529 7.5529 8.5740 8.5742 k = 0.5000 0.0812 0.3860 ( 6378 PWs) bands (ev): -17.2154 -17.2154 -17.2154 -17.2154 -16.4997 -16.4997 -16.4997 -16.4997 -12.3975 -12.3975 -12.3974 -12.3974 -10.3141 -10.3141 -10.3140 -10.3140 -7.5472 -7.5472 -7.5468 -7.5468 -6.1000 -6.1000 -6.1000 -6.1000 -5.9124 -5.9124 -5.9123 -5.9123 -5.5371 -5.5371 -5.5371 -5.5371 -3.9926 -3.9926 -3.9920 -3.9920 -3.8436 -3.8436 -3.8434 -3.8434 -2.7336 -2.7336 -2.7334 -2.7334 -0.7255 -0.7255 -0.7246 -0.7246 0.2561 0.2561 0.2575 0.2575 6.3649 6.3649 6.3658 6.3658 7.5665 7.5665 7.5675 7.5675 8.6593 8.6595 k = 0.5000 0.0649 0.3860 ( 6376 PWs) bands (ev): -17.2171 -17.2171 -17.2171 -17.2171 -16.4986 -16.4986 -16.4986 -16.4986 -12.3954 -12.3954 -12.3954 -12.3954 -10.3092 -10.3092 -10.3091 -10.3091 -7.5516 -7.5516 -7.5512 -7.5512 -6.0958 -6.0958 -6.0958 -6.0958 -5.9187 -5.9187 -5.9186 -5.9186 -5.5427 -5.5427 -5.5426 -5.5426 -3.9874 -3.9874 -3.9866 -3.9866 -3.8533 -3.8533 -3.8531 -3.8531 -2.7287 -2.7287 -2.7285 -2.7285 -0.7212 -0.7212 -0.7202 -0.7202 0.2521 0.2521 0.2536 0.2536 6.3581 6.3581 6.3590 6.3590 7.5787 7.5787 7.5798 7.5798 8.7405 8.7405 k = 0.5000 0.0487 0.3860 ( 6384 PWs) bands (ev): -17.2184 -17.2184 -17.2184 -17.2184 -16.4978 -16.4978 -16.4978 -16.4978 -12.3937 -12.3937 -12.3937 -12.3937 -10.3054 -10.3054 -10.3053 -10.3053 -7.5551 -7.5551 -7.5546 -7.5546 -6.0924 -6.0924 -6.0924 -6.0924 -5.9238 -5.9238 -5.9237 -5.9237 -5.5471 -5.5471 -5.5471 -5.5471 -3.9825 -3.9825 -3.9817 -3.9817 -3.8617 -3.8617 -3.8614 -3.8614 -2.7248 -2.7248 -2.7247 -2.7247 -0.7179 -0.7179 -0.7169 -0.7169 0.2490 0.2490 0.2505 0.2505 6.3528 6.3528 6.3536 6.3536 7.5883 7.5883 7.5894 7.5894 8.8157 8.8158 k = 0.5000 0.0325 0.3860 ( 6380 PWs) bands (ev): -17.2194 -17.2194 -17.2194 -17.2194 -16.4972 -16.4972 -16.4972 -16.4972 -12.3925 -12.3925 -12.3925 -12.3925 -10.3026 -10.3026 -10.3025 -10.3025 -7.5576 -7.5576 -7.5571 -7.5571 -6.0899 -6.0899 -6.0898 -6.0898 -5.9275 -5.9275 -5.9274 -5.9274 -5.5503 -5.5503 -5.5503 -5.5503 -3.9786 -3.9786 -3.9777 -3.9777 -3.8682 -3.8682 -3.8678 -3.8678 -2.7220 -2.7220 -2.7219 -2.7219 -0.7155 -0.7155 -0.7144 -0.7144 0.2468 0.2468 0.2483 0.2483 6.3489 6.3489 6.3497 6.3497 7.5953 7.5953 7.5964 7.5964 8.8826 8.8829 k = 0.5000 0.0162 0.3860 ( 6372 PWs) bands (ev): -17.2200 -17.2200 -17.2200 -17.2200 -16.4969 -16.4969 -16.4969 -16.4969 -12.3918 -12.3918 -12.3917 -12.3917 -10.3010 -10.3010 -10.3009 -10.3009 -7.5591 -7.5591 -7.5586 -7.5586 -6.0883 -6.0883 -6.0883 -6.0883 -5.9297 -5.9297 -5.9296 -5.9296 -5.5523 -5.5523 -5.5522 -5.5522 -3.9759 -3.9759 -3.9750 -3.9750 -3.8724 -3.8724 -3.8720 -3.8720 -2.7203 -2.7203 -2.7202 -2.7202 -0.7140 -0.7140 -0.7130 -0.7130 0.2454 0.2454 0.2469 0.2469 6.3466 6.3466 6.3474 6.3474 7.5995 7.5995 7.6006 7.6006 8.9353 8.9358 k = 0.5000-0.0000 0.3860 ( 6368 PWs) bands (ev): -17.2202 -17.2202 -17.2202 -17.2202 -16.4968 -16.4968 -16.4968 -16.4968 -12.3915 -12.3915 -12.3915 -12.3915 -10.3004 -10.3004 -10.3003 -10.3003 -7.5596 -7.5596 -7.5591 -7.5591 -6.0878 -6.0878 -6.0877 -6.0877 -5.9305 -5.9305 -5.9304 -5.9304 -5.5529 -5.5529 -5.5529 -5.5529 -3.9749 -3.9749 -3.9740 -3.9740 -3.8739 -3.8739 -3.8734 -3.8734 -2.7198 -2.7198 -2.7196 -2.7196 -0.7135 -0.7135 -0.7125 -0.7125 0.2450 0.2450 0.2465 0.2465 6.3458 6.3458 6.3466 6.3466 7.6009 7.6009 7.6020 7.6020 8.9585 8.9589 k = 0.5000-0.0000 0.3860 ( 6368 PWs) bands (ev): -17.2202 -17.2202 -17.2202 -17.2202 -16.4968 -16.4968 -16.4968 -16.4968 -12.3915 -12.3915 -12.3915 -12.3915 -10.3004 -10.3004 -10.3003 -10.3003 -7.5596 -7.5596 -7.5591 -7.5591 -6.0878 -6.0878 -6.0877 -6.0877 -5.9305 -5.9305 -5.9304 -5.9304 -5.5529 -5.5529 -5.5529 -5.5529 -3.9749 -3.9749 -3.9740 -3.9740 -3.8739 -3.8739 -3.8734 -3.8734 -2.7198 -2.7198 -2.7196 -2.7196 -0.7135 -0.7135 -0.7125 -0.7125 0.2450 0.2450 0.2465 0.2465 6.3458 6.3458 6.3466 6.3466 7.6009 7.6009 7.6020 7.6020 8.9585 8.9589 k = 0.5000-0.0000 0.3699 ( 6372 PWs) bands (ev): -17.2202 -17.2202 -17.2202 -17.2202 -16.4967 -16.4967 -16.4967 -16.4967 -12.3915 -12.3915 -12.3915 -12.3915 -10.3004 -10.3004 -10.3003 -10.3003 -7.5597 -7.5597 -7.5593 -7.5593 -6.0877 -6.0877 -6.0877 -6.0877 -5.9309 -5.9309 -5.9308 -5.9308 -5.5525 -5.5525 -5.5525 -5.5525 -3.9749 -3.9749 -3.9740 -3.9740 -3.8737 -3.8737 -3.8732 -3.8732 -2.7197 -2.7197 -2.7196 -2.7196 -0.7138 -0.7138 -0.7128 -0.7128 0.2453 0.2453 0.2468 0.2468 6.3442 6.3442 6.3450 6.3450 7.6029 7.6029 7.6040 7.6040 8.9553 8.9559 k = 0.5000-0.0000 0.3538 ( 6370 PWs) bands (ev): -17.2203 -17.2203 -17.2203 -17.2203 -16.4966 -16.4966 -16.4966 -16.4966 -12.3915 -12.3915 -12.3915 -12.3915 -10.3003 -10.3003 -10.3002 -10.3002 -7.5601 -7.5601 -7.5597 -7.5597 -6.0877 -6.0877 -6.0877 -6.0877 -5.9322 -5.9322 -5.9321 -5.9321 -5.5513 -5.5513 -5.5512 -5.5512 -3.9749 -3.9749 -3.9740 -3.9740 -3.8731 -3.8731 -3.8727 -3.8727 -2.7196 -2.7196 -2.7194 -2.7194 -0.7146 -0.7146 -0.7136 -0.7136 0.2463 0.2463 0.2477 0.2477 6.3394 6.3394 6.3402 6.3402 7.6086 7.6086 7.6097 7.6097 8.9466 8.9471 k = 0.5000-0.0000 0.3377 ( 6380 PWs) bands (ev): -17.2204 -17.2204 -17.2204 -17.2204 -16.4965 -16.4965 -16.4965 -16.4965 -12.3915 -12.3915 -12.3915 -12.3915 -10.3003 -10.3003 -10.3002 -10.3002 -7.5608 -7.5608 -7.5603 -7.5603 -6.0877 -6.0877 -6.0876 -6.0876 -5.9342 -5.9342 -5.9341 -5.9341 -5.5492 -5.5492 -5.5492 -5.5492 -3.9750 -3.9750 -3.9740 -3.9740 -3.8721 -3.8721 -3.8717 -3.8717 -2.7194 -2.7194 -2.7192 -2.7192 -0.7159 -0.7159 -0.7149 -0.7149 0.2478 0.2478 0.2493 0.2493 6.3316 6.3316 6.3324 6.3324 7.6180 7.6180 7.6191 7.6191 8.9328 8.9333 k = 0.5000-0.0000 0.3216 ( 6380 PWs) bands (ev): -17.2206 -17.2206 -17.2206 -17.2206 -16.4962 -16.4962 -16.4962 -16.4962 -12.3915 -12.3915 -12.3915 -12.3915 -10.3002 -10.3002 -10.3001 -10.3001 -7.5617 -7.5617 -7.5612 -7.5612 -6.0876 -6.0876 -6.0876 -6.0876 -5.9369 -5.9369 -5.9367 -5.9367 -5.5465 -5.5465 -5.5464 -5.5464 -3.9749 -3.9749 -3.9740 -3.9740 -3.8708 -3.8708 -3.8704 -3.8704 -2.7191 -2.7191 -2.7190 -2.7190 -0.7177 -0.7177 -0.7167 -0.7167 0.2499 0.2499 0.2514 0.2514 6.3210 6.3210 6.3218 6.3218 7.6308 7.6308 7.6319 7.6319 8.9151 8.9154 k = 0.5000-0.0000 0.3055 ( 6382 PWs) bands (ev): -17.2208 -17.2208 -17.2208 -17.2208 -16.4959 -16.4959 -16.4959 -16.4959 -12.3915 -12.3915 -12.3914 -12.3914 -10.3001 -10.3001 -10.3000 -10.3000 -7.5628 -7.5628 -7.5623 -7.5623 -6.0877 -6.0877 -6.0876 -6.0876 -5.9401 -5.9401 -5.9399 -5.9399 -5.5431 -5.5431 -5.5431 -5.5431 -3.9749 -3.9749 -3.9740 -3.9740 -3.8691 -3.8691 -3.8687 -3.8687 -2.7188 -2.7188 -2.7186 -2.7186 -0.7200 -0.7200 -0.7190 -0.7190 0.2526 0.2526 0.2540 0.2540 6.3079 6.3079 6.3087 6.3087 7.6468 7.6468 7.6478 7.6478 8.8940 8.8943 k = 0.5000-0.0000 0.2895 ( 6388 PWs) bands (ev): -17.2211 -17.2211 -17.2211 -17.2211 -16.4956 -16.4956 -16.4956 -16.4956 -12.3915 -12.3915 -12.3914 -12.3914 -10.2999 -10.2999 -10.2998 -10.2998 -7.5641 -7.5641 -7.5637 -7.5637 -6.0879 -6.0879 -6.0878 -6.0878 -5.9437 -5.9437 -5.9435 -5.9435 -5.5392 -5.5392 -5.5392 -5.5392 -3.9749 -3.9749 -3.9740 -3.9740 -3.8672 -3.8672 -3.8667 -3.8667 -2.7183 -2.7183 -2.7182 -2.7182 -0.7227 -0.7227 -0.7218 -0.7218 0.2558 0.2558 0.2571 0.2571 6.2928 6.2928 6.2935 6.2935 7.6654 7.6654 7.6665 7.6665 8.8706 8.8707 k = 0.5000-0.0000 0.2734 ( 6384 PWs) bands (ev): -17.2214 -17.2214 -17.2214 -17.2214 -16.4952 -16.4952 -16.4952 -16.4952 -12.3914 -12.3914 -12.3914 -12.3914 -10.2997 -10.2997 -10.2996 -10.2996 -7.5656 -7.5656 -7.5652 -7.5652 -6.0882 -6.0882 -6.0881 -6.0881 -5.9476 -5.9476 -5.9473 -5.9473 -5.5350 -5.5350 -5.5349 -5.5349 -3.9748 -3.9748 -3.9739 -3.9739 -3.8649 -3.8649 -3.8645 -3.8645 -2.7179 -2.7179 -2.7177 -2.7177 -0.7257 -0.7257 -0.7248 -0.7248 0.2594 0.2594 0.2607 0.2607 6.2759 6.2759 6.2766 6.2766 7.6864 7.6864 7.6874 7.6874 8.8452 8.8454 k = 0.5000-0.0000 0.2573 ( 6394 PWs) bands (ev): -17.2217 -17.2217 -17.2217 -17.2217 -16.4948 -16.4948 -16.4948 -16.4948 -12.3914 -12.3914 -12.3914 -12.3914 -10.2996 -10.2996 -10.2995 -10.2995 -7.5672 -7.5672 -7.5668 -7.5668 -6.0888 -6.0888 -6.0887 -6.0887 -5.9514 -5.9514 -5.9512 -5.9512 -5.5304 -5.5304 -5.5303 -5.5303 -3.9747 -3.9747 -3.9738 -3.9738 -3.8624 -3.8624 -3.8620 -3.8620 -2.7173 -2.7173 -2.7172 -2.7172 -0.7291 -0.7291 -0.7282 -0.7282 0.2633 0.2633 0.2646 0.2646 6.2578 6.2578 6.2584 6.2584 7.7094 7.7094 7.7103 7.7103 8.8187 8.8188 k = 0.5000-0.0000 0.2412 ( 6390 PWs) bands (ev): -17.2220 -17.2220 -17.2220 -17.2220 -16.4943 -16.4943 -16.4943 -16.4943 -12.3914 -12.3914 -12.3914 -12.3914 -10.2994 -10.2994 -10.2993 -10.2993 -7.5690 -7.5690 -7.5686 -7.5686 -6.0897 -6.0897 -6.0895 -6.0895 -5.9552 -5.9552 -5.9549 -5.9549 -5.5256 -5.5256 -5.5255 -5.5255 -3.9745 -3.9745 -3.9737 -3.9737 -3.8598 -3.8598 -3.8594 -3.8594 -2.7168 -2.7168 -2.7166 -2.7166 -0.7327 -0.7327 -0.7319 -0.7319 0.2676 0.2676 0.2688 0.2688 6.2387 6.2387 6.2393 6.2393 7.7338 7.7338 7.7347 7.7347 8.7912 8.7913 k = 0.5000-0.0000 0.2251 ( 6396 PWs) bands (ev): -17.2224 -17.2224 -17.2224 -17.2224 -16.4938 -16.4938 -16.4938 -16.4938 -12.3913 -12.3913 -12.3913 -12.3913 -10.2992 -10.2992 -10.2991 -10.2991 -7.5709 -7.5709 -7.5705 -7.5705 -6.0909 -6.0909 -6.0908 -6.0908 -5.9587 -5.9587 -5.9584 -5.9584 -5.5207 -5.5207 -5.5207 -5.5207 -3.9744 -3.9744 -3.9736 -3.9736 -3.8570 -3.8570 -3.8566 -3.8566 -2.7162 -2.7162 -2.7161 -2.7161 -0.7365 -0.7365 -0.7357 -0.7357 0.2721 0.2721 0.2732 0.2732 6.2190 6.2190 6.2196 6.2196 7.7593 7.7593 7.7602 7.7602 8.7634 8.7635 k = 0.5000-0.0000 0.2091 ( 6400 PWs) bands (ev): -17.2228 -17.2228 -17.2228 -17.2228 -16.4933 -16.4933 -16.4933 -16.4933 -12.3913 -12.3913 -12.3913 -12.3913 -10.2989 -10.2989 -10.2988 -10.2988 -7.5728 -7.5728 -7.5724 -7.5724 -6.0925 -6.0925 -6.0923 -6.0923 -5.9618 -5.9618 -5.9615 -5.9615 -5.5159 -5.5159 -5.5158 -5.5158 -3.9742 -3.9742 -3.9735 -3.9735 -3.8541 -3.8541 -3.8538 -3.8538 -2.7156 -2.7156 -2.7155 -2.7155 -0.7404 -0.7404 -0.7396 -0.7396 0.2767 0.2767 0.2778 0.2778 6.1993 6.1993 6.1998 6.1998 7.7855 7.7855 7.7864 7.7864 8.7355 8.7356 k = 0.5000-0.0000 0.1930 ( 6398 PWs) bands (ev): -17.2232 -17.2232 -17.2232 -17.2232 -16.4927 -16.4927 -16.4927 -16.4927 -12.3913 -12.3913 -12.3913 -12.3913 -10.2987 -10.2987 -10.2986 -10.2986 -7.5747 -7.5747 -7.5744 -7.5744 -6.0945 -6.0945 -6.0943 -6.0943 -5.9645 -5.9645 -5.9642 -5.9642 -5.5111 -5.5111 -5.5110 -5.5110 -3.9740 -3.9740 -3.9733 -3.9733 -3.8512 -3.8512 -3.8509 -3.8509 -2.7149 -2.7149 -2.7148 -2.7148 -0.7443 -0.7443 -0.7436 -0.7436 0.2814 0.2814 0.2824 0.2824 6.1796 6.1796 6.1801 6.1801 7.8120 7.8120 7.8128 7.8128 8.7079 8.7080 k = 0.5000-0.0000 0.1769 ( 6396 PWs) bands (ev): -17.2236 -17.2236 -17.2236 -17.2236 -16.4922 -16.4922 -16.4922 -16.4922 -12.3912 -12.3912 -12.3912 -12.3912 -10.2985 -10.2985 -10.2984 -10.2984 -7.5767 -7.5767 -7.5764 -7.5764 -6.0967 -6.0967 -6.0965 -6.0965 -5.9667 -5.9667 -5.9664 -5.9664 -5.5065 -5.5065 -5.5064 -5.5064 -3.9737 -3.9737 -3.9731 -3.9731 -3.8483 -3.8483 -3.8480 -3.8480 -2.7143 -2.7143 -2.7142 -2.7142 -0.7482 -0.7482 -0.7476 -0.7476 0.2860 0.2860 0.2870 0.2870 6.1605 6.1605 6.1609 6.1609 7.8384 7.8384 7.8392 7.8392 8.6809 8.6811 k = 0.5000-0.0000 0.1608 ( 6392 PWs) bands (ev): -17.2240 -17.2240 -17.2240 -17.2240 -16.4917 -16.4917 -16.4917 -16.4917 -12.3912 -12.3912 -12.3912 -12.3912 -10.2982 -10.2982 -10.2982 -10.2982 -7.5786 -7.5786 -7.5783 -7.5783 -6.0993 -6.0993 -6.0990 -6.0990 -5.9684 -5.9684 -5.9681 -5.9681 -5.5021 -5.5021 -5.5020 -5.5020 -3.9735 -3.9735 -3.9729 -3.9729 -3.8455 -3.8455 -3.8452 -3.8452 -2.7137 -2.7137 -2.7136 -2.7136 -0.7521 -0.7521 -0.7515 -0.7515 0.2906 0.2906 0.2915 0.2915 6.1421 6.1421 6.1425 6.1425 7.8643 7.8643 7.8651 7.8651 8.6549 8.6550 k = 0.5000-0.0000 0.1447 ( 6392 PWs) bands (ev): -17.2243 -17.2243 -17.2243 -17.2243 -16.4912 -16.4912 -16.4912 -16.4912 -12.3912 -12.3912 -12.3912 -12.3912 -10.2980 -10.2980 -10.2980 -10.2980 -7.5804 -7.5804 -7.5801 -7.5801 -6.1020 -6.1020 -6.1017 -6.1017 -5.9697 -5.9697 -5.9694 -5.9694 -5.4980 -5.4980 -5.4979 -5.4979 -3.9732 -3.9732 -3.9727 -3.9727 -3.8427 -3.8427 -3.8424 -3.8424 -2.7131 -2.7131 -2.7130 -2.7130 -0.7557 -0.7557 -0.7552 -0.7552 0.2950 0.2950 0.2958 0.2958 6.1248 6.1248 6.1251 6.1251 7.8894 7.8894 7.8901 7.8901 8.6299 8.6301 k = 0.5000-0.0000 0.1287 ( 6394 PWs) bands (ev): -17.2247 -17.2247 -17.2247 -17.2247 -16.4907 -16.4907 -16.4907 -16.4907 -12.3911 -12.3911 -12.3911 -12.3911 -10.2978 -10.2978 -10.2978 -10.2978 -7.5821 -7.5821 -7.5818 -7.5818 -6.1047 -6.1047 -6.1045 -6.1045 -5.9706 -5.9706 -5.9703 -5.9703 -5.4943 -5.4943 -5.4942 -5.4942 -3.9730 -3.9730 -3.9725 -3.9725 -3.8401 -3.8401 -3.8399 -3.8399 -2.7125 -2.7125 -2.7124 -2.7124 -0.7592 -0.7592 -0.7587 -0.7587 0.2992 0.2992 0.2999 0.2999 6.1087 6.1087 6.1090 6.1090 7.9133 7.9133 7.9140 7.9140 8.6064 8.6066 k = 0.5000-0.0000 0.1126 ( 6400 PWs) bands (ev): -17.2250 -17.2250 -17.2250 -17.2250 -16.4903 -16.4903 -16.4903 -16.4903 -12.3911 -12.3911 -12.3911 -12.3911 -10.2976 -10.2976 -10.2976 -10.2976 -7.5837 -7.5837 -7.5835 -7.5835 -6.1075 -6.1075 -6.1073 -6.1073 -5.9711 -5.9711 -5.9709 -5.9709 -5.4909 -5.4909 -5.4908 -5.4908 -3.9727 -3.9727 -3.9723 -3.9723 -3.8377 -3.8377 -3.8375 -3.8375 -2.7120 -2.7120 -2.7120 -2.7120 -0.7624 -0.7624 -0.7620 -0.7620 0.3030 0.3030 0.3036 0.3036 6.0940 6.0940 6.0943 6.0943 7.9357 7.9357 7.9363 7.9363 8.5846 8.5848 k = 0.5000-0.0000 0.0965 ( 6402 PWs) bands (ev): -17.2253 -17.2253 -17.2253 -17.2253 -16.4899 -16.4899 -16.4899 -16.4899 -12.3911 -12.3911 -12.3911 -12.3911 -10.2975 -10.2975 -10.2974 -10.2974 -7.5851 -7.5851 -7.5849 -7.5849 -6.1101 -6.1101 -6.1100 -6.1100 -5.9714 -5.9714 -5.9712 -5.9712 -5.4879 -5.4879 -5.4878 -5.4878 -3.9725 -3.9725 -3.9721 -3.9721 -3.8355 -3.8355 -3.8354 -3.8354 -2.7116 -2.7116 -2.7115 -2.7115 -0.7653 -0.7653 -0.7649 -0.7649 0.3065 0.3065 0.3070 0.3070 6.0810 6.0810 6.0812 6.0812 7.9562 7.9562 7.9567 7.9567 8.5649 8.5650 k = 0.5000-0.0000 0.0804 ( 6398 PWs) bands (ev): -17.2255 -17.2255 -17.2255 -17.2255 -16.4896 -16.4896 -16.4896 -16.4896 -12.3911 -12.3911 -12.3911 -12.3911 -10.2973 -10.2973 -10.2973 -10.2973 -7.5863 -7.5863 -7.5862 -7.5862 -6.1125 -6.1125 -6.1124 -6.1124 -5.9715 -5.9715 -5.9713 -5.9713 -5.4853 -5.4853 -5.4852 -5.4852 -3.9722 -3.9722 -3.9719 -3.9719 -3.8336 -3.8336 -3.8335 -3.8335 -2.7111 -2.7111 -2.7111 -2.7111 -0.7678 -0.7678 -0.7675 -0.7675 0.3095 0.3095 0.3099 0.3099 6.0697 6.0697 6.0699 6.0699 7.9744 7.9744 7.9749 7.9749 8.5473 8.5474 k = 0.5000-0.0000 0.0643 ( 6402 PWs) bands (ev): -17.2258 -17.2258 -17.2258 -17.2258 -16.4893 -16.4893 -16.4893 -16.4893 -12.3910 -12.3910 -12.3910 -12.3910 -10.2972 -10.2972 -10.2971 -10.2971 -7.5874 -7.5874 -7.5873 -7.5873 -6.1146 -6.1146 -6.1145 -6.1145 -5.9715 -5.9715 -5.9714 -5.9714 -5.4831 -5.4831 -5.4831 -5.4831 -3.9720 -3.9720 -3.9718 -3.9718 -3.8320 -3.8320 -3.8319 -3.8319 -2.7108 -2.7108 -2.7108 -2.7108 -0.7699 -0.7699 -0.7697 -0.7697 0.3121 0.3121 0.3124 0.3124 6.0603 6.0603 6.0604 6.0604 7.9900 7.9900 7.9904 7.9904 8.5323 8.5324 k = 0.5000-0.0000 0.0482 ( 6398 PWs) bands (ev): -17.2259 -17.2259 -17.2259 -17.2259 -16.4891 -16.4891 -16.4891 -16.4891 -12.3910 -12.3910 -12.3910 -12.3910 -10.2971 -10.2971 -10.2970 -10.2970 -7.5882 -7.5882 -7.5881 -7.5881 -6.1163 -6.1163 -6.1162 -6.1162 -5.9715 -5.9715 -5.9713 -5.9713 -5.4815 -5.4815 -5.4814 -5.4814 -3.9718 -3.9718 -3.9717 -3.9717 -3.8307 -3.8307 -3.8306 -3.8306 -2.7105 -2.7105 -2.7105 -2.7105 -0.7716 -0.7716 -0.7714 -0.7714 0.3141 0.3141 0.3144 0.3144 6.0529 6.0529 6.0530 6.0530 8.0027 8.0027 8.0030 8.0030 8.5203 8.5204 k = 0.5000-0.0000 0.0322 ( 6394 PWs) bands (ev): -17.2260 -17.2260 -17.2260 -17.2260 -16.4889 -16.4889 -16.4889 -16.4889 -12.3910 -12.3910 -12.3910 -12.3910 -10.2970 -10.2970 -10.2970 -10.2970 -7.5888 -7.5888 -7.5887 -7.5887 -6.1175 -6.1175 -6.1174 -6.1174 -5.9714 -5.9714 -5.9713 -5.9713 -5.4802 -5.4802 -5.4802 -5.4802 -3.9717 -3.9717 -3.9716 -3.9716 -3.8298 -3.8298 -3.8297 -3.8297 -2.7103 -2.7103 -2.7103 -2.7103 -0.7728 -0.7728 -0.7727 -0.7727 0.3156 0.3156 0.3158 0.3158 6.0475 6.0475 6.0476 6.0476 8.0120 8.0120 8.0122 8.0122 8.5114 8.5114 k = 0.5000-0.0000 0.0161 ( 6392 PWs) bands (ev): -17.2261 -17.2261 -17.2261 -17.2261 -16.4888 -16.4888 -16.4888 -16.4888 -12.3910 -12.3910 -12.3910 -12.3910 -10.2969 -10.2969 -10.2969 -10.2969 -7.5892 -7.5892 -7.5891 -7.5891 -6.1182 -6.1182 -6.1182 -6.1182 -5.9713 -5.9713 -5.9712 -5.9712 -5.4795 -5.4795 -5.4795 -5.4795 -3.9716 -3.9716 -3.9715 -3.9715 -3.8292 -3.8292 -3.8292 -3.8292 -2.7102 -2.7102 -2.7102 -2.7102 -0.7735 -0.7735 -0.7734 -0.7734 0.3165 0.3165 0.3166 0.3166 6.0443 6.0443 6.0444 6.0444 8.0177 8.0177 8.0178 8.0178 8.5060 8.5060 k = 0.5000-0.0000-0.0000 ( 6390 PWs) bands (ev): -17.2261 -17.2261 -17.2261 -17.2261 -16.4888 -16.4888 -16.4888 -16.4888 -12.3910 -12.3910 -12.3910 -12.3910 -10.2969 -10.2969 -10.2969 -10.2969 -7.5893 -7.5893 -7.5893 -7.5893 -6.1185 -6.1185 -6.1185 -6.1185 -5.9712 -5.9712 -5.9712 -5.9712 -5.4793 -5.4793 -5.4793 -5.4793 -3.9715 -3.9715 -3.9715 -3.9715 -3.8290 -3.8290 -3.8290 -3.8290 -2.7101 -2.7101 -2.7101 -2.7101 -0.7737 -0.7737 -0.7737 -0.7737 0.3169 0.3169 0.3169 0.3169 6.0433 6.0433 6.0433 6.0433 8.0197 8.0197 8.0197 8.0197 8.5041 8.5041 k = 0.0000 0.0000 0.3860 ( 6424 PWs) bands (ev): -17.2653 -17.2653 -17.2653 -17.2653 -16.4556 -16.4556 -16.4556 -16.4556 -12.3998 -12.3998 -12.3998 -12.3998 -10.2324 -10.2324 -10.2324 -10.2324 -7.3423 -7.3423 -7.3423 -7.3423 -6.2935 -6.2935 -6.2935 -6.2935 -5.9468 -5.9468 -5.9468 -5.9468 -5.5962 -5.5962 -5.5962 -5.5962 -4.0194 -4.0194 -4.0194 -4.0194 -3.8886 -3.8886 -3.8886 -3.8886 -2.7715 -2.7715 -2.7715 -2.7715 -0.8202 -0.8202 -0.8202 -0.8202 0.3365 0.3365 0.3365 0.3365 6.0728 6.0728 6.0728 6.0728 8.0002 8.0002 8.0002 8.0002 8.2110 8.2110 k = 0.0161-0.0000 0.3860 ( 6416 PWs) bands (ev): -17.2652 -17.2652 -17.2652 -17.2652 -16.4557 -16.4557 -16.4557 -16.4557 -12.3998 -12.3998 -12.3998 -12.3998 -10.2326 -10.2326 -10.2326 -10.2326 -7.3430 -7.3430 -7.3430 -7.3430 -6.2928 -6.2928 -6.2928 -6.2928 -5.9467 -5.9467 -5.9467 -5.9467 -5.5961 -5.5961 -5.5961 -5.5961 -4.0194 -4.0194 -4.0193 -4.0193 -3.8885 -3.8885 -3.8885 -3.8885 -2.7715 -2.7715 -2.7714 -2.7714 -0.8199 -0.8199 -0.8199 -0.8199 0.3363 0.3363 0.3364 0.3364 6.0733 6.0733 6.0734 6.0734 7.9974 7.9974 7.9975 7.9975 8.2152 8.2152 k = 0.0323-0.0000 0.3860 ( 6410 PWs) bands (ev): -17.2648 -17.2648 -17.2648 -17.2648 -16.4560 -16.4560 -16.4560 -16.4560 -12.3997 -12.3997 -12.3997 -12.3997 -10.2331 -10.2331 -10.2331 -10.2331 -7.3452 -7.3452 -7.3451 -7.3451 -6.2908 -6.2908 -6.2908 -6.2908 -5.9465 -5.9465 -5.9464 -5.9464 -5.5958 -5.5958 -5.5958 -5.5958 -4.0191 -4.0191 -4.0190 -4.0190 -3.8883 -3.8883 -3.8883 -3.8883 -2.7713 -2.7713 -2.7712 -2.7712 -0.8192 -0.8192 -0.8191 -0.8191 0.3356 0.3356 0.3358 0.3358 6.0748 6.0748 6.0750 6.0750 7.9896 7.9896 7.9899 7.9899 8.2274 8.2274 k = 0.0484-0.0000 0.3860 ( 6406 PWs) bands (ev): -17.2643 -17.2643 -17.2643 -17.2643 -16.4565 -16.4565 -16.4565 -16.4565 -12.3996 -12.3996 -12.3996 -12.3996 -10.2340 -10.2340 -10.2339 -10.2339 -7.3487 -7.3487 -7.3486 -7.3486 -6.2875 -6.2875 -6.2875 -6.2875 -5.9460 -5.9460 -5.9459 -5.9459 -5.5952 -5.5952 -5.5952 -5.5952 -4.0188 -4.0188 -4.0186 -4.0186 -3.8880 -3.8880 -3.8880 -3.8880 -2.7710 -2.7710 -2.7709 -2.7709 -0.8178 -0.8178 -0.8177 -0.8177 0.3346 0.3346 0.3349 0.3349 6.0774 6.0774 6.0776 6.0776 7.9783 7.9783 7.9787 7.9787 8.2462 8.2462 k = 0.0645-0.0000 0.3860 ( 6394 PWs) bands (ev): -17.2635 -17.2635 -17.2635 -17.2635 -16.4571 -16.4571 -16.4571 -16.4571 -12.3995 -12.3995 -12.3995 -12.3995 -10.2351 -10.2351 -10.2351 -10.2351 -7.3535 -7.3535 -7.3534 -7.3534 -6.2830 -6.2830 -6.2829 -6.2829 -5.9453 -5.9453 -5.9453 -5.9453 -5.5943 -5.5943 -5.5943 -5.5943 -4.0183 -4.0183 -4.0181 -4.0181 -3.8875 -3.8875 -3.8875 -3.8875 -2.7705 -2.7705 -2.7704 -2.7704 -0.8160 -0.8160 -0.8158 -0.8158 0.3332 0.3332 0.3335 0.3335 6.0810 6.0810 6.0812 6.0812 7.9649 7.9649 7.9653 7.9653 8.2700 8.2700 k = 0.0806-0.0000 0.3860 ( 6394 PWs) bands (ev): -17.2626 -17.2626 -17.2626 -17.2626 -16.4580 -16.4580 -16.4580 -16.4580 -12.3993 -12.3993 -12.3993 -12.3993 -10.2366 -10.2366 -10.2366 -10.2366 -7.3596 -7.3596 -7.3594 -7.3594 -6.2773 -6.2773 -6.2773 -6.2773 -5.9445 -5.9445 -5.9445 -5.9445 -5.5933 -5.5933 -5.5933 -5.5933 -4.0176 -4.0176 -4.0174 -4.0174 -3.8870 -3.8870 -3.8870 -3.8870 -2.7699 -2.7699 -2.7698 -2.7698 -0.8136 -0.8136 -0.8134 -0.8134 0.3314 0.3314 0.3318 0.3318 6.0856 6.0856 6.0859 6.0859 7.9504 7.9504 7.9509 7.9509 8.2977 8.2977 k = 0.0968-0.0000 0.3860 ( 6388 PWs) bands (ev): -17.2614 -17.2614 -17.2614 -17.2614 -16.4590 -16.4590 -16.4590 -16.4590 -12.3991 -12.3991 -12.3991 -12.3991 -10.2384 -10.2384 -10.2384 -10.2384 -7.3668 -7.3668 -7.3666 -7.3666 -6.2707 -6.2707 -6.2706 -6.2706 -5.9436 -5.9436 -5.9435 -5.9435 -5.5921 -5.5921 -5.5921 -5.5921 -4.0168 -4.0168 -4.0165 -4.0165 -3.8863 -3.8863 -3.8863 -3.8863 -2.7692 -2.7692 -2.7691 -2.7691 -0.8108 -0.8108 -0.8105 -0.8105 0.3292 0.3292 0.3297 0.3297 6.0912 6.0912 6.0916 6.0916 7.9357 7.9357 7.9361 7.9361 8.3283 8.3283 k = 0.1129-0.0000 0.3860 ( 6384 PWs) bands (ev): -17.2601 -17.2601 -17.2601 -17.2601 -16.4602 -16.4602 -16.4602 -16.4602 -12.3989 -12.3989 -12.3989 -12.3989 -10.2405 -10.2405 -10.2405 -10.2405 -7.3749 -7.3749 -7.3747 -7.3747 -6.2631 -6.2631 -6.2631 -6.2631 -5.9425 -5.9425 -5.9424 -5.9424 -5.5906 -5.5906 -5.5906 -5.5906 -4.0159 -4.0159 -4.0156 -4.0156 -3.8855 -3.8855 -3.8855 -3.8855 -2.7683 -2.7683 -2.7682 -2.7682 -0.8075 -0.8075 -0.8071 -0.8071 0.3267 0.3267 0.3273 0.3273 6.0978 6.0978 6.0982 6.0982 7.9209 7.9209 7.9213 7.9213 8.3612 8.3613 k = 0.1290-0.0000 0.3860 ( 6388 PWs) bands (ev): -17.2586 -17.2586 -17.2586 -17.2586 -16.4616 -16.4616 -16.4616 -16.4616 -12.3986 -12.3986 -12.3986 -12.3986 -10.2429 -10.2429 -10.2429 -10.2429 -7.3839 -7.3839 -7.3837 -7.3837 -6.2548 -6.2548 -6.2548 -6.2548 -5.9413 -5.9413 -5.9412 -5.9412 -5.5890 -5.5890 -5.5890 -5.5890 -4.0149 -4.0149 -4.0145 -4.0145 -3.8846 -3.8846 -3.8846 -3.8846 -2.7673 -2.7673 -2.7671 -2.7671 -0.8038 -0.8038 -0.8033 -0.8033 0.3238 0.3238 0.3244 0.3244 6.1053 6.1053 6.1057 6.1057 7.9063 7.9063 7.9067 7.9067 8.3959 8.3960 k = 0.1452-0.0000 0.3860 ( 6388 PWs) bands (ev): -17.2569 -17.2569 -17.2569 -17.2569 -16.4631 -16.4631 -16.4631 -16.4631 -12.3983 -12.3983 -12.3983 -12.3983 -10.2455 -10.2455 -10.2455 -10.2455 -7.3936 -7.3936 -7.3933 -7.3933 -6.2459 -6.2459 -6.2459 -6.2459 -5.9400 -5.9400 -5.9399 -5.9399 -5.5873 -5.5873 -5.5872 -5.5872 -4.0137 -4.0137 -4.0132 -4.0132 -3.8837 -3.8837 -3.8836 -3.8836 -2.7661 -2.7661 -2.7659 -2.7659 -0.7997 -0.7997 -0.7992 -0.7992 0.3206 0.3206 0.3213 0.3213 6.1137 6.1137 6.1142 6.1142 7.8921 7.8921 7.8924 7.8924 8.4321 8.4333 k = 0.1613-0.0000 0.3860 ( 6386 PWs) bands (ev): -17.2551 -17.2551 -17.2551 -17.2551 -16.4648 -16.4648 -16.4648 -16.4648 -12.3979 -12.3979 -12.3979 -12.3979 -10.2483 -10.2483 -10.2483 -10.2483 -7.4038 -7.4038 -7.4035 -7.4035 -6.2365 -6.2365 -6.2365 -6.2365 -5.9387 -5.9387 -5.9386 -5.9386 -5.5853 -5.5853 -5.5853 -5.5853 -4.0123 -4.0123 -4.0119 -4.0119 -3.8826 -3.8826 -3.8826 -3.8826 -2.7646 -2.7646 -2.7644 -2.7644 -0.7952 -0.7952 -0.7947 -0.7947 0.3171 0.3171 0.3179 0.3179 6.1230 6.1230 6.1236 6.1236 7.8781 7.8781 7.8784 7.8784 8.4692 8.4694 k = 0.1774-0.0000 0.3860 ( 6386 PWs) bands (ev): -17.2532 -17.2532 -17.2532 -17.2532 -16.4666 -16.4666 -16.4666 -16.4666 -12.3976 -12.3976 -12.3976 -12.3976 -10.2513 -10.2513 -10.2513 -10.2513 -7.4144 -7.4144 -7.4141 -7.4141 -6.2268 -6.2268 -6.2267 -6.2267 -5.9373 -5.9373 -5.9372 -5.9372 -5.5833 -5.5833 -5.5833 -5.5833 -4.0109 -4.0109 -4.0104 -4.0104 -3.8816 -3.8816 -3.8815 -3.8815 -2.7630 -2.7630 -2.7628 -2.7628 -0.7905 -0.7905 -0.7899 -0.7899 0.3133 0.3133 0.3142 0.3142 6.1331 6.1331 6.1338 6.1338 7.8643 7.8643 7.8645 7.8645 8.5069 8.5070 k = 0.1935-0.0000 0.3860 ( 6390 PWs) bands (ev): -17.2511 -17.2511 -17.2511 -17.2511 -16.4684 -16.4684 -16.4684 -16.4684 -12.3972 -12.3972 -12.3972 -12.3972 -10.2545 -10.2545 -10.2544 -10.2544 -7.4254 -7.4254 -7.4250 -7.4250 -6.2168 -6.2168 -6.2167 -6.2167 -5.9359 -5.9359 -5.9358 -5.9358 -5.5812 -5.5812 -5.5812 -5.5812 -4.0093 -4.0093 -4.0087 -4.0087 -3.8804 -3.8804 -3.8803 -3.8803 -2.7613 -2.7613 -2.7610 -2.7610 -0.7855 -0.7855 -0.7849 -0.7849 0.3093 0.3093 0.3102 0.3102 6.1441 6.1441 6.1447 6.1447 7.8505 7.8505 7.8507 7.8507 8.5446 8.5446 k = 0.2097-0.0000 0.3860 ( 6394 PWs) bands (ev): -17.2490 -17.2490 -17.2490 -17.2490 -16.4704 -16.4704 -16.4704 -16.4704 -12.3968 -12.3968 -12.3968 -12.3968 -10.2578 -10.2578 -10.2577 -10.2577 -7.4364 -7.4364 -7.4361 -7.4361 -6.2067 -6.2067 -6.2066 -6.2066 -5.9346 -5.9346 -5.9345 -5.9345 -5.5790 -5.5790 -5.5790 -5.5790 -4.0076 -4.0076 -4.0070 -4.0070 -3.8793 -3.8793 -3.8792 -3.8792 -2.7592 -2.7592 -2.7590 -2.7590 -0.7803 -0.7803 -0.7797 -0.7797 0.3050 0.3050 0.3060 0.3060 6.1557 6.1557 6.1564 6.1564 7.8367 7.8367 7.8368 7.8368 8.5818 8.5819 k = 0.2258-0.0000 0.3860 ( 6390 PWs) bands (ev): -17.2468 -17.2468 -17.2468 -17.2468 -16.4724 -16.4724 -16.4724 -16.4724 -12.3964 -12.3964 -12.3964 -12.3964 -10.2612 -10.2612 -10.2611 -10.2611 -7.4475 -7.4475 -7.4471 -7.4471 -6.1965 -6.1965 -6.1965 -6.1965 -5.9333 -5.9333 -5.9332 -5.9332 -5.5768 -5.5768 -5.5767 -5.5767 -4.0057 -4.0057 -4.0051 -4.0051 -3.8782 -3.8782 -3.8781 -3.8781 -2.7571 -2.7571 -2.7568 -2.7568 -0.7750 -0.7750 -0.7743 -0.7743 0.3006 0.3006 0.3017 0.3017 6.1680 6.1680 6.1687 6.1687 7.8228 7.8228 7.8228 7.8228 8.6176 8.6178 k = 0.2419-0.0000 0.3860 ( 6392 PWs) bands (ev): -17.2445 -17.2445 -17.2445 -17.2445 -16.4744 -16.4744 -16.4744 -16.4744 -12.3960 -12.3960 -12.3960 -12.3960 -10.2646 -10.2646 -10.2645 -10.2645 -7.4585 -7.4585 -7.4581 -7.4581 -6.1865 -6.1865 -6.1864 -6.1864 -5.9321 -5.9321 -5.9321 -5.9321 -5.5745 -5.5745 -5.5745 -5.5745 -4.0038 -4.0038 -4.0031 -4.0031 -3.8772 -3.8772 -3.8770 -3.8770 -2.7547 -2.7547 -2.7544 -2.7544 -0.7696 -0.7696 -0.7689 -0.7689 0.2961 0.2961 0.2972 0.2972 6.1808 6.1808 6.1816 6.1816 7.8084 7.8084 7.8085 7.8085 8.6514 8.6515 k = 0.2581-0.0000 0.3860 ( 6394 PWs) bands (ev): -17.2423 -17.2423 -17.2423 -17.2423 -16.4765 -16.4765 -16.4765 -16.4765 -12.3956 -12.3956 -12.3956 -12.3956 -10.2680 -10.2680 -10.2679 -10.2679 -7.4692 -7.4692 -7.4689 -7.4689 -6.1766 -6.1766 -6.1765 -6.1765 -5.9311 -5.9311 -5.9310 -5.9310 -5.5723 -5.5723 -5.5723 -5.5723 -4.0017 -4.0017 -4.0010 -4.0010 -3.8762 -3.8762 -3.8760 -3.8760 -2.7521 -2.7521 -2.7519 -2.7519 -0.7642 -0.7642 -0.7634 -0.7634 0.2914 0.2914 0.2926 0.2926 6.1941 6.1941 6.1949 6.1949 7.7936 7.7936 7.7937 7.7937 8.6824 8.6830 k = 0.2742-0.0000 0.3860 ( 6392 PWs) bands (ev): -17.2400 -17.2400 -17.2400 -17.2400 -16.4786 -16.4786 -16.4786 -16.4786 -12.3952 -12.3952 -12.3952 -12.3952 -10.2715 -10.2715 -10.2714 -10.2714 -7.4797 -7.4797 -7.4793 -7.4793 -6.1669 -6.1669 -6.1668 -6.1668 -5.9302 -5.9302 -5.9301 -5.9301 -5.5701 -5.5701 -5.5701 -5.5701 -3.9995 -3.9995 -3.9988 -3.9988 -3.8754 -3.8754 -3.8751 -3.8751 -2.7494 -2.7494 -2.7492 -2.7492 -0.7588 -0.7588 -0.7580 -0.7580 0.2868 0.2868 0.2880 0.2880 6.2078 6.2078 6.2086 6.2086 7.7782 7.7782 7.7784 7.7784 8.7096 8.7097 k = 0.2903-0.0000 0.3860 ( 6390 PWs) bands (ev): -17.2377 -17.2377 -17.2377 -17.2377 -16.4807 -16.4807 -16.4807 -16.4807 -12.3948 -12.3948 -12.3947 -12.3947 -10.2748 -10.2748 -10.2747 -10.2747 -7.4898 -7.4898 -7.4894 -7.4894 -6.1575 -6.1575 -6.1574 -6.1574 -5.9294 -5.9294 -5.9293 -5.9293 -5.5680 -5.5680 -5.5679 -5.5679 -3.9973 -3.9973 -3.9965 -3.9965 -3.8746 -3.8746 -3.8744 -3.8744 -2.7466 -2.7466 -2.7464 -2.7464 -0.7534 -0.7534 -0.7526 -0.7526 0.2821 0.2821 0.2833 0.2833 6.2217 6.2217 6.2225 6.2225 7.7623 7.7623 7.7626 7.7626 8.7329 8.7335 k = 0.3065-0.0000 0.3860 ( 6388 PWs) bands (ev): -17.2355 -17.2355 -17.2355 -17.2355 -16.4827 -16.4827 -16.4827 -16.4827 -12.3943 -12.3943 -12.3943 -12.3943 -10.2781 -10.2781 -10.2780 -10.2780 -7.4994 -7.4994 -7.4990 -7.4990 -6.1484 -6.1484 -6.1484 -6.1484 -5.9288 -5.9288 -5.9287 -5.9287 -5.5659 -5.5659 -5.5659 -5.5659 -3.9949 -3.9949 -3.9942 -3.9942 -3.8740 -3.8740 -3.8737 -3.8737 -2.7437 -2.7437 -2.7435 -2.7435 -0.7483 -0.7483 -0.7474 -0.7474 0.2775 0.2775 0.2788 0.2788 6.2357 6.2357 6.2365 6.2365 7.7459 7.7459 7.7463 7.7463 8.7525 8.7538 k = 0.3226-0.0000 0.3860 ( 6392 PWs) bands (ev): -17.2334 -17.2334 -17.2334 -17.2334 -16.4847 -16.4847 -16.4847 -16.4847 -12.3939 -12.3939 -12.3939 -12.3939 -10.2813 -10.2813 -10.2812 -10.2812 -7.5085 -7.5085 -7.5080 -7.5080 -6.1398 -6.1398 -6.1397 -6.1397 -5.9284 -5.9284 -5.9283 -5.9283 -5.5640 -5.5640 -5.5639 -5.5639 -3.9926 -3.9926 -3.9918 -3.9918 -3.8735 -3.8735 -3.8732 -3.8732 -2.7408 -2.7408 -2.7405 -2.7405 -0.7433 -0.7433 -0.7424 -0.7424 0.2730 0.2730 0.2743 0.2743 6.2497 6.2497 6.2505 6.2505 7.7292 7.7292 7.7296 7.7296 8.7692 8.7704 k = 0.3387-0.0000 0.3860 ( 6390 PWs) bands (ev): -17.2313 -17.2313 -17.2313 -17.2313 -16.4866 -16.4866 -16.4866 -16.4866 -12.3936 -12.3936 -12.3936 -12.3936 -10.2843 -10.2843 -10.2842 -10.2842 -7.5170 -7.5170 -7.5165 -7.5165 -6.1316 -6.1316 -6.1316 -6.1316 -5.9282 -5.9282 -5.9281 -5.9281 -5.5621 -5.5621 -5.5621 -5.5621 -3.9902 -3.9902 -3.9894 -3.9894 -3.8732 -3.8732 -3.8728 -3.8728 -2.7378 -2.7378 -2.7376 -2.7376 -0.7386 -0.7386 -0.7376 -0.7376 0.2687 0.2687 0.2701 0.2701 6.2634 6.2634 6.2642 6.2642 7.7122 7.7122 7.7127 7.7127 8.7842 8.7849 k = 0.3548-0.0000 0.3860 ( 6384 PWs) bands (ev): -17.2294 -17.2294 -17.2294 -17.2294 -16.4883 -16.4883 -16.4883 -16.4883 -12.3932 -12.3932 -12.3932 -12.3932 -10.2872 -10.2872 -10.2871 -10.2871 -7.5248 -7.5248 -7.5243 -7.5243 -6.1240 -6.1240 -6.1239 -6.1239 -5.9282 -5.9282 -5.9281 -5.9281 -5.5605 -5.5605 -5.5604 -5.5604 -3.9879 -3.9879 -3.9870 -3.9870 -3.8729 -3.8729 -3.8726 -3.8726 -2.7349 -2.7349 -2.7347 -2.7347 -0.7341 -0.7341 -0.7332 -0.7332 0.2646 0.2646 0.2660 0.2660 6.2767 6.2767 6.2776 6.2776 7.6952 7.6952 7.6959 7.6959 8.7990 8.7992 k = 0.3710-0.0000 0.3860 ( 6382 PWs) bands (ev): -17.2276 -17.2276 -17.2276 -17.2276 -16.4900 -16.4900 -16.4900 -16.4900 -12.3929 -12.3929 -12.3929 -12.3929 -10.2898 -10.2898 -10.2897 -10.2897 -7.5319 -7.5319 -7.5314 -7.5314 -6.1169 -6.1169 -6.1168 -6.1168 -5.9283 -5.9283 -5.9282 -5.9282 -5.5589 -5.5589 -5.5589 -5.5589 -3.9856 -3.9856 -3.9847 -3.9847 -3.8729 -3.8729 -3.8725 -3.8725 -2.7321 -2.7321 -2.7319 -2.7319 -0.7300 -0.7300 -0.7291 -0.7291 0.2608 0.2608 0.2622 0.2622 6.2895 6.2895 6.2903 6.2903 7.6786 7.6786 7.6794 7.6794 8.8140 8.8149 k = 0.3871-0.0000 0.3860 ( 6380 PWs) bands (ev): -17.2259 -17.2259 -17.2259 -17.2259 -16.4915 -16.4915 -16.4915 -16.4915 -12.3926 -12.3926 -12.3926 -12.3926 -10.2922 -10.2922 -10.2921 -10.2921 -7.5383 -7.5383 -7.5378 -7.5378 -6.1104 -6.1104 -6.1104 -6.1104 -5.9285 -5.9285 -5.9284 -5.9284 -5.5575 -5.5575 -5.5575 -5.5575 -3.9834 -3.9834 -3.9825 -3.9825 -3.8729 -3.8729 -3.8725 -3.8725 -2.7295 -2.7295 -2.7293 -2.7293 -0.7263 -0.7263 -0.7253 -0.7253 0.2573 0.2573 0.2587 0.2587 6.3014 6.3014 6.3023 6.3023 7.6627 7.6627 7.6635 7.6635 8.8303 8.8313 k = 0.4032-0.0000 0.3860 ( 6380 PWs) bands (ev): -17.2245 -17.2245 -17.2244 -17.2244 -16.4928 -16.4928 -16.4928 -16.4928 -12.3923 -12.3923 -12.3923 -12.3923 -10.2943 -10.2943 -10.2942 -10.2942 -7.5438 -7.5438 -7.5434 -7.5434 -6.1047 -6.1047 -6.1046 -6.1046 -5.9288 -5.9288 -5.9287 -5.9287 -5.5563 -5.5563 -5.5563 -5.5563 -3.9814 -3.9814 -3.9805 -3.9805 -3.8730 -3.8730 -3.8726 -3.8726 -2.7271 -2.7271 -2.7269 -2.7269 -0.7230 -0.7230 -0.7220 -0.7220 0.2542 0.2542 0.2556 0.2556 6.3123 6.3123 6.3132 6.3132 7.6478 7.6478 7.6487 7.6487 8.8484 8.8492 k = 0.4194-0.0000 0.3860 ( 6382 PWs) bands (ev): -17.2232 -17.2232 -17.2232 -17.2232 -16.4940 -16.4940 -16.4940 -16.4940 -12.3921 -12.3921 -12.3921 -12.3921 -10.2961 -10.2961 -10.2960 -10.2960 -7.5486 -7.5486 -7.5481 -7.5481 -6.0997 -6.0997 -6.0996 -6.0996 -5.9292 -5.9292 -5.9291 -5.9291 -5.5553 -5.5553 -5.5553 -5.5553 -3.9795 -3.9795 -3.9786 -3.9786 -3.8732 -3.8732 -3.8728 -3.8728 -2.7250 -2.7250 -2.7248 -2.7248 -0.7202 -0.7202 -0.7192 -0.7192 0.2515 0.2515 0.2529 0.2529 6.3220 6.3220 6.3229 6.3229 7.6345 7.6345 7.6354 7.6354 8.8683 8.8688 k = 0.4355-0.0000 0.3860 ( 6378 PWs) bands (ev): -17.2221 -17.2221 -17.2221 -17.2221 -16.4950 -16.4950 -16.4950 -16.4950 -12.3919 -12.3919 -12.3918 -12.3918 -10.2976 -10.2976 -10.2975 -10.2975 -7.5526 -7.5526 -7.5521 -7.5521 -6.0955 -6.0955 -6.0954 -6.0954 -5.9296 -5.9296 -5.9295 -5.9295 -5.5544 -5.5544 -5.5544 -5.5544 -3.9780 -3.9780 -3.9770 -3.9770 -3.8734 -3.8734 -3.8730 -3.8730 -2.7232 -2.7232 -2.7230 -2.7230 -0.7178 -0.7178 -0.7168 -0.7168 0.2492 0.2492 0.2506 0.2506 6.3303 6.3303 6.3311 6.3311 7.6229 7.6229 7.6239 7.6239 8.8899 8.8904 k = 0.4516-0.0000 0.3860 ( 6378 PWs) bands (ev): -17.2213 -17.2213 -17.2213 -17.2213 -16.4958 -16.4958 -16.4958 -16.4958 -12.3917 -12.3917 -12.3917 -12.3917 -10.2988 -10.2988 -10.2987 -10.2987 -7.5556 -7.5556 -7.5552 -7.5552 -6.0921 -6.0921 -6.0921 -6.0921 -5.9300 -5.9300 -5.9299 -5.9299 -5.5538 -5.5538 -5.5538 -5.5538 -3.9767 -3.9767 -3.9758 -3.9758 -3.8736 -3.8736 -3.8732 -3.8732 -2.7217 -2.7217 -2.7215 -2.7215 -0.7159 -0.7159 -0.7149 -0.7149 0.2474 0.2474 0.2488 0.2488 6.3369 6.3369 6.3378 6.3378 7.6135 7.6135 7.6146 7.6146 8.9120 8.9127 k = 0.4677-0.0000 0.3860 ( 6370 PWs) bands (ev): -17.2207 -17.2207 -17.2207 -17.2207 -16.4963 -16.4963 -16.4963 -16.4963 -12.3916 -12.3916 -12.3916 -12.3916 -10.2997 -10.2997 -10.2996 -10.2996 -7.5578 -7.5578 -7.5573 -7.5573 -6.0897 -6.0897 -6.0897 -6.0897 -5.9303 -5.9303 -5.9301 -5.9301 -5.5533 -5.5533 -5.5533 -5.5533 -3.9757 -3.9757 -3.9748 -3.9748 -3.8737 -3.8737 -3.8733 -3.8733 -2.7206 -2.7206 -2.7205 -2.7205 -0.7146 -0.7146 -0.7136 -0.7136 0.2461 0.2461 0.2475 0.2475 6.3418 6.3418 6.3426 6.3426 7.6066 7.6066 7.6077 7.6077 8.9339 8.9342 k = 0.4839-0.0000 0.3860 ( 6370 PWs) bands (ev): -17.2203 -17.2203 -17.2203 -17.2203 -16.4967 -16.4967 -16.4967 -16.4967 -12.3915 -12.3915 -12.3915 -12.3915 -10.3002 -10.3002 -10.3001 -10.3001 -7.5592 -7.5592 -7.5587 -7.5587 -6.0883 -6.0883 -6.0882 -6.0882 -5.9304 -5.9304 -5.9303 -5.9303 -5.5530 -5.5530 -5.5530 -5.5530 -3.9751 -3.9751 -3.9742 -3.9742 -3.8739 -3.8739 -3.8734 -3.8734 -2.7200 -2.7200 -2.7198 -2.7198 -0.7138 -0.7138 -0.7128 -0.7128 0.2453 0.2453 0.2468 0.2468 6.3448 6.3448 6.3456 6.3456 7.6024 7.6024 7.6035 7.6035 8.9514 8.9518 k = 0.5000-0.0000 0.3860 ( 6368 PWs) bands (ev): -17.2202 -17.2202 -17.2202 -17.2202 -16.4968 -16.4968 -16.4968 -16.4968 -12.3915 -12.3915 -12.3915 -12.3915 -10.3004 -10.3004 -10.3003 -10.3003 -7.5596 -7.5596 -7.5591 -7.5591 -6.0878 -6.0878 -6.0877 -6.0877 -5.9305 -5.9305 -5.9304 -5.9304 -5.5529 -5.5529 -5.5529 -5.5529 -3.9749 -3.9749 -3.9740 -3.9740 -3.8739 -3.8739 -3.8734 -3.8734 -2.7198 -2.7198 -2.7196 -2.7196 -0.7135 -0.7135 -0.7125 -0.7125 0.2450 0.2450 0.2465 0.2465 6.3458 6.3458 6.3466 6.3466 7.6009 7.6009 7.6020 7.6020 8.9586 8.9588 Writing output data file H4CN.save init_run : 0.81s CPU 0.55s WALL ( 1 calls) electrons : 319.87s CPU 233.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.17s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 319.86s CPU 233.22s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.23s WALL ( 256 calls) cegterg : 274.50s CPU 206.39s WALL ( 492 calls) Called by sum_band: Called by *egterg: h_psi : 186.84s CPU 119.38s WALL ( 7512 calls) s_psi : 7.56s CPU 5.14s WALL ( 7512 calls) g_psi : 0.38s CPU 0.33s WALL ( 6764 calls) cdiaghg : 81.43s CPU 72.46s WALL ( 7020 calls) cegterg:over : 13.48s CPU 10.79s WALL ( 6764 calls) cegterg:upda : 12.26s CPU 10.32s WALL ( 6764 calls) cegterg:last : 4.57s CPU 4.06s WALL ( 1004 calls) cdiaghg:chol : 4.45s CPU 4.16s WALL ( 7020 calls) cdiaghg:inve : 3.40s CPU 2.85s WALL ( 7020 calls) cdiaghg:para : 4.80s CPU 4.46s WALL ( 14040 calls) Called by h_psi: h_psi:vloc : 166.89s CPU 104.97s WALL ( 7512 calls) h_psi:vnl : 19.26s CPU 13.96s WALL ( 7512 calls) add_vuspsi : 8.55s CPU 5.98s WALL ( 7512 calls) General routines calbec : 10.66s CPU 7.95s WALL ( 7512 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 155.84s CPU 96.56s WALL ( 808556 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.29s CPU 1.00s WALL ( 512 calls) Parallel routines fft_scatter : 56.85s CPU 40.93s WALL ( 808579 calls) PWSCF : 5m39.43s CPU 5m 3.53s WALL This run was terminated on: 0:35: 0 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=