Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 22:43:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ba3N.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 35 9 3244 1301 191 Max 65 36 10 3249 1329 198 Sum 4615 2527 703 233637 94935 13943 bravais-lattice index = 14 lattice parameter (alat) = 14.4409 a.u. unit-cell volume = 2406.1004 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.440908 celldm(2)= 1.000000 celldm(3)= 0.922571 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.922571 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.083928 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 Ba 10.00 137.32700 Ba( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0047619 k( 3) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0047619 k( 4) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0047619 k( 5) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0047619 k( 6) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0047619 k( 7) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0047619 k( 8) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0047619 k( 9) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0047619 k( 10) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0047619 k( 11) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0047619 k( 12) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0047619 k( 13) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0047619 k( 14) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0047619 k( 15) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0047619 k( 16) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0047619 k( 17) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0047619 k( 18) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0047619 k( 19) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0047619 k( 20) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0047619 k( 21) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0047619 k( 22) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0047619 k( 23) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0047619 k( 24) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0047619 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 27) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0047619 k( 28) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0047619 k( 29) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0047619 k( 30) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0047619 k( 31) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0047619 k( 32) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0047619 k( 33) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0047619 k( 34) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0047619 k( 35) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0047619 k( 36) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0047619 k( 37) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0047619 k( 38) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0047619 k( 39) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0047619 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 41) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 42) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0047619 k( 43) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0047619 k( 44) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0047619 k( 45) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0047619 k( 46) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0047619 k( 47) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0047619 k( 48) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0047619 k( 49) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0047619 k( 50) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0047619 k( 51) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0047619 k( 52) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0047619 k( 53) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0047619 k( 54) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0047619 k( 55) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0047619 k( 56) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0047619 k( 57) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0047619 k( 58) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0047619 k( 59) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0047619 k( 60) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0047619 k( 61) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0047619 k( 62) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0047619 k( 63) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0047619 k( 64) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0047619 k( 65) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0047619 k( 66) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0047619 k( 67) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0047619 k( 68) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0047619 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 71) = ( 0.0000000 0.0000000 0.0235636), wk = 0.0047619 k( 72) = ( 0.0000000 0.0000000 0.0471273), wk = 0.0047619 k( 73) = ( 0.0000000 0.0000000 0.0706909), wk = 0.0047619 k( 74) = ( 0.0000000 0.0000000 0.0942546), wk = 0.0047619 k( 75) = ( 0.0000000 0.0000000 0.1178182), wk = 0.0047619 k( 76) = ( 0.0000000 0.0000000 0.1413819), wk = 0.0047619 k( 77) = ( 0.0000000 0.0000000 0.1649455), wk = 0.0047619 k( 78) = ( 0.0000000 0.0000000 0.1885092), wk = 0.0047619 k( 79) = ( 0.0000000 0.0000000 0.2120728), wk = 0.0047619 k( 80) = ( 0.0000000 0.0000000 0.2356365), wk = 0.0047619 k( 81) = ( 0.0000000 0.0000000 0.2592001), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.2827638), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.3063275), wk = 0.0047619 k( 84) = ( 0.0000000 0.0000000 0.3298911), wk = 0.0047619 k( 85) = ( 0.0000000 0.0000000 0.3534547), wk = 0.0047619 k( 86) = ( 0.0000000 0.0000000 0.3770184), wk = 0.0047619 k( 87) = ( 0.0000000 0.0000000 0.4005820), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.4241457), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.4477093), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.4712730), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.4948366), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.5184003), wk = 0.0047619 k( 93) = ( 0.0000000 0.0000000 0.5419639), wk = 0.0047619 k( 94) = ( 0.0000000 0.0000000 0.5419639), wk = 0.0047619 k( 95) = ( 0.0208333 0.0120281 0.5419639), wk = 0.0047619 k( 96) = ( 0.0416667 0.0240563 0.5419639), wk = 0.0047619 k( 97) = ( 0.0625000 0.0360844 0.5419639), wk = 0.0047619 k( 98) = ( 0.0833333 0.0481125 0.5419639), wk = 0.0047619 k( 99) = ( 0.1041667 0.0601407 0.5419639), wk = 0.0047619 k( 100) = ( 0.1250000 0.0721688 0.5419639), wk = 0.0047619 k( 101) = ( 0.1458333 0.0841969 0.5419639), wk = 0.0047619 k( 102) = ( 0.1666667 0.0962250 0.5419639), wk = 0.0047619 k( 103) = ( 0.1875000 0.1082532 0.5419639), wk = 0.0047619 k( 104) = ( 0.2083333 0.1202813 0.5419639), wk = 0.0047619 k( 105) = ( 0.2291667 0.1323094 0.5419639), wk = 0.0047619 k( 106) = ( 0.2500000 0.1443376 0.5419639), wk = 0.0047619 k( 107) = ( 0.2708333 0.1563657 0.5419639), wk = 0.0047619 k( 108) = ( 0.2916667 0.1683938 0.5419639), wk = 0.0047619 k( 109) = ( 0.3125000 0.1804220 0.5419639), wk = 0.0047619 k( 110) = ( 0.3333333 0.1924501 0.5419639), wk = 0.0047619 k( 111) = ( 0.3541667 0.2044782 0.5419639), wk = 0.0047619 k( 112) = ( 0.3750000 0.2165064 0.5419639), wk = 0.0047619 k( 113) = ( 0.3958333 0.2285345 0.5419639), wk = 0.0047619 k( 114) = ( 0.4166667 0.2405626 0.5419639), wk = 0.0047619 k( 115) = ( 0.4375000 0.2525907 0.5419639), wk = 0.0047619 k( 116) = ( 0.4583333 0.2646189 0.5419639), wk = 0.0047619 k( 117) = ( 0.4791667 0.2766470 0.5419639), wk = 0.0047619 k( 118) = ( 0.5000000 0.2886751 0.5419639), wk = 0.0047619 k( 119) = ( 0.5000000 0.2886751 0.5419639), wk = 0.0047619 k( 120) = ( 0.4880952 0.3092948 0.5419639), wk = 0.0047619 k( 121) = ( 0.4761905 0.3299144 0.5419639), wk = 0.0047619 k( 122) = ( 0.4642857 0.3505341 0.5419639), wk = 0.0047619 k( 123) = ( 0.4523810 0.3711537 0.5419639), wk = 0.0047619 k( 124) = ( 0.4404762 0.3917734 0.5419639), wk = 0.0047619 k( 125) = ( 0.4285714 0.4123930 0.5419639), wk = 0.0047619 k( 126) = ( 0.4166667 0.4330127 0.5419639), wk = 0.0047619 k( 127) = ( 0.4047619 0.4536324 0.5419639), wk = 0.0047619 k( 128) = ( 0.3928571 0.4742520 0.5419639), wk = 0.0047619 k( 129) = ( 0.3809524 0.4948717 0.5419639), wk = 0.0047619 k( 130) = ( 0.3690476 0.5154913 0.5419639), wk = 0.0047619 k( 131) = ( 0.3571429 0.5361110 0.5419639), wk = 0.0047619 k( 132) = ( 0.3452381 0.5567306 0.5419639), wk = 0.0047619 k( 133) = ( 0.3333333 0.5773503 0.5419639), wk = 0.0047619 k( 134) = ( 0.3333333 0.5773503 0.5419639), wk = 0.0047619 k( 135) = ( 0.3214286 0.5567306 0.5419639), wk = 0.0047619 k( 136) = ( 0.3095238 0.5361110 0.5419639), wk = 0.0047619 k( 137) = ( 0.2976190 0.5154913 0.5419639), wk = 0.0047619 k( 138) = ( 0.2857143 0.4948717 0.5419639), wk = 0.0047619 k( 139) = ( 0.2738095 0.4742520 0.5419639), wk = 0.0047619 k( 140) = ( 0.2619048 0.4536324 0.5419639), wk = 0.0047619 k( 141) = ( 0.2500000 0.4330127 0.5419639), wk = 0.0047619 k( 142) = ( 0.2380952 0.4123931 0.5419639), wk = 0.0047619 k( 143) = ( 0.2261905 0.3917734 0.5419639), wk = 0.0047619 k( 144) = ( 0.2142857 0.3711537 0.5419639), wk = 0.0047619 k( 145) = ( 0.2023810 0.3505341 0.5419639), wk = 0.0047619 k( 146) = ( 0.1904762 0.3299144 0.5419639), wk = 0.0047619 k( 147) = ( 0.1785714 0.3092948 0.5419639), wk = 0.0047619 k( 148) = ( 0.1666667 0.2886751 0.5419639), wk = 0.0047619 k( 149) = ( 0.1547619 0.2680555 0.5419639), wk = 0.0047619 k( 150) = ( 0.1428571 0.2474358 0.5419639), wk = 0.0047619 k( 151) = ( 0.1309524 0.2268162 0.5419639), wk = 0.0047619 k( 152) = ( 0.1190476 0.2061965 0.5419639), wk = 0.0047619 k( 153) = ( 0.1071429 0.1855769 0.5419639), wk = 0.0047619 k( 154) = ( 0.0952381 0.1649572 0.5419639), wk = 0.0047619 k( 155) = ( 0.0833333 0.1443376 0.5419639), wk = 0.0047619 k( 156) = ( 0.0714286 0.1237179 0.5419639), wk = 0.0047619 k( 157) = ( 0.0595238 0.1030983 0.5419639), wk = 0.0047619 k( 158) = ( 0.0476191 0.0824786 0.5419639), wk = 0.0047619 k( 159) = ( 0.0357143 0.0618590 0.5419639), wk = 0.0047619 k( 160) = ( 0.0238095 0.0412393 0.5419639), wk = 0.0047619 k( 161) = ( 0.0119048 0.0206196 0.5419639), wk = 0.0047619 k( 162) = ( 0.0000000 0.0000000 0.5419639), wk = 0.0047619 k( 163) = ( 0.5000000 0.2886751 0.5419639), wk = 0.0047619 k( 164) = ( 0.5000000 0.2886751 0.5184003), wk = 0.0047619 k( 165) = ( 0.5000000 0.2886751 0.4948366), wk = 0.0047619 k( 166) = ( 0.5000000 0.2886751 0.4712730), wk = 0.0047619 k( 167) = ( 0.5000000 0.2886751 0.4477093), wk = 0.0047619 k( 168) = ( 0.5000000 0.2886751 0.4241457), wk = 0.0047619 k( 169) = ( 0.5000000 0.2886751 0.4005820), wk = 0.0047619 k( 170) = ( 0.5000000 0.2886751 0.3770184), wk = 0.0047619 k( 171) = ( 0.5000000 0.2886751 0.3534547), wk = 0.0047619 k( 172) = ( 0.5000000 0.2886751 0.3298911), wk = 0.0047619 k( 173) = ( 0.5000000 0.2886751 0.3063275), wk = 0.0047619 k( 174) = ( 0.5000000 0.2886751 0.2827638), wk = 0.0047619 k( 175) = ( 0.5000000 0.2886751 0.2592001), wk = 0.0047619 k( 176) = ( 0.5000000 0.2886751 0.2356365), wk = 0.0047619 k( 177) = ( 0.5000000 0.2886751 0.2120728), wk = 0.0047619 k( 178) = ( 0.5000000 0.2886751 0.1885092), wk = 0.0047619 k( 179) = ( 0.5000000 0.2886751 0.1649455), wk = 0.0047619 k( 180) = ( 0.5000000 0.2886751 0.1413819), wk = 0.0047619 k( 181) = ( 0.5000000 0.2886751 0.1178182), wk = 0.0047619 k( 182) = ( 0.5000000 0.2886751 0.0942546), wk = 0.0047619 k( 183) = ( 0.5000000 0.2886751 0.0706909), wk = 0.0047619 k( 184) = ( 0.5000000 0.2886751 0.0471273), wk = 0.0047619 k( 185) = ( 0.5000000 0.2886751 0.0235636), wk = 0.0047619 k( 186) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 187) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 188) = ( 0.3333333 0.5773503 0.0235636), wk = 0.0047619 k( 189) = ( 0.3333333 0.5773503 0.0471273), wk = 0.0047619 k( 190) = ( 0.3333333 0.5773503 0.0706909), wk = 0.0047619 k( 191) = ( 0.3333333 0.5773503 0.0942546), wk = 0.0047619 k( 192) = ( 0.3333333 0.5773503 0.1178182), wk = 0.0047619 k( 193) = ( 0.3333333 0.5773503 0.1413819), wk = 0.0047619 k( 194) = ( 0.3333333 0.5773503 0.1649455), wk = 0.0047619 k( 195) = ( 0.3333333 0.5773503 0.1885092), wk = 0.0047619 k( 196) = ( 0.3333333 0.5773503 0.2120728), wk = 0.0047619 k( 197) = ( 0.3333333 0.5773503 0.2356365), wk = 0.0047619 k( 198) = ( 0.3333333 0.5773503 0.2592001), wk = 0.0047619 k( 199) = ( 0.3333333 0.5773503 0.2827638), wk = 0.0047619 k( 200) = ( 0.3333333 0.5773503 0.3063275), wk = 0.0047619 k( 201) = ( 0.3333333 0.5773503 0.3298911), wk = 0.0047619 k( 202) = ( 0.3333333 0.5773503 0.3534547), wk = 0.0047619 k( 203) = ( 0.3333333 0.5773503 0.3770184), wk = 0.0047619 k( 204) = ( 0.3333333 0.5773503 0.4005820), wk = 0.0047619 k( 205) = ( 0.3333333 0.5773503 0.4241457), wk = 0.0047619 k( 206) = ( 0.3333333 0.5773503 0.4477093), wk = 0.0047619 k( 207) = ( 0.3333333 0.5773503 0.4712730), wk = 0.0047619 k( 208) = ( 0.3333333 0.5773503 0.4948366), wk = 0.0047619 k( 209) = ( 0.3333333 0.5773503 0.5184003), wk = 0.0047619 k( 210) = ( 0.3333333 0.5773503 0.5419639), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0208333 -0.0000000 0.0000000), wk = 0.0047619 k( 3) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0047619 k( 4) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0047619 k( 5) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0047619 k( 6) = ( 0.1041667 0.0000000 -0.0000000), wk = 0.0047619 k( 7) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0047619 k( 8) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0047619 k( 9) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0047619 k( 10) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0047619 k( 11) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0047619 k( 12) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0047619 k( 13) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0047619 k( 14) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0047619 k( 15) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0047619 k( 16) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0047619 k( 17) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0047619 k( 18) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0047619 k( 19) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0047619 k( 20) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0047619 k( 21) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0047619 k( 22) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0047619 k( 23) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0047619 k( 24) = ( 0.4791667 -0.0000000 0.0000000), wk = 0.0047619 k( 25) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047619 k( 26) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047619 k( 27) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0047619 k( 28) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0047619 k( 29) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0047619 k( 30) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0047619 k( 31) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0047619 k( 32) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0047619 k( 33) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0047619 k( 34) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0047619 k( 35) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0047619 k( 36) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0047619 k( 37) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0047619 k( 38) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0047619 k( 39) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0047619 k( 40) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047619 k( 41) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047619 k( 42) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0047619 k( 43) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0047619 k( 44) = ( 0.2976190 0.2976191 0.0000000), wk = 0.0047619 k( 45) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0047619 k( 46) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0047619 k( 47) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0047619 k( 48) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0047619 k( 49) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0047619 k( 50) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0047619 k( 51) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0047619 k( 52) = ( 0.2023810 0.2023809 0.0000000), wk = 0.0047619 k( 53) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0047619 k( 54) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0047619 k( 55) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0047619 k( 56) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0047619 k( 57) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0047619 k( 58) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0047619 k( 59) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0047619 k( 60) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0047619 k( 61) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0047619 k( 62) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0047619 k( 63) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0047619 k( 64) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0047619 k( 65) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0047619 k( 66) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0047619 k( 67) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0047619 k( 68) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0047619 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 71) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0047619 k( 72) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0047619 k( 73) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0047619 k( 74) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0047619 k( 75) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0047619 k( 76) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0047619 k( 77) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0047619 k( 78) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0047619 k( 79) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0047619 k( 80) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0047619 k( 81) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0047619 k( 84) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0047619 k( 85) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0047619 k( 86) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0047619 k( 87) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0047619 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 94) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 95) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0047619 k( 96) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0047619 k( 97) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0047619 k( 98) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0047619 k( 99) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0047619 k( 100) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0047619 k( 101) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0047619 k( 102) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0047619 k( 103) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0047619 k( 104) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0047619 k( 105) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0047619 k( 106) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0047619 k( 107) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0047619 k( 108) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0047619 k( 109) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0047619 k( 110) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0047619 k( 111) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0047619 k( 112) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0047619 k( 113) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0047619 k( 114) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0047619 k( 115) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0047619 k( 116) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0047619 k( 117) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0047619 k( 118) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 119) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 120) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0047619 k( 121) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0047619 k( 122) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0047619 k( 123) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0047619 k( 124) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0047619 k( 125) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0047619 k( 126) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0047619 k( 127) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0047619 k( 128) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0047619 k( 129) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0047619 k( 130) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0047619 k( 131) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0047619 k( 132) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0047619 k( 133) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 k( 134) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 k( 135) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0047619 k( 136) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0047619 k( 137) = ( 0.2976190 0.2976191 0.5000000), wk = 0.0047619 k( 138) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0047619 k( 139) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0047619 k( 140) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0047619 k( 141) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0047619 k( 142) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0047619 k( 143) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0047619 k( 144) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0047619 k( 145) = ( 0.2023810 0.2023809 0.5000000), wk = 0.0047619 k( 146) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0047619 k( 147) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0047619 k( 148) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0047619 k( 149) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0047619 k( 150) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0047619 k( 151) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0047619 k( 152) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0047619 k( 153) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0047619 k( 154) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0047619 k( 155) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0047619 k( 156) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0047619 k( 157) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0047619 k( 158) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0047619 k( 159) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0047619 k( 160) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0047619 k( 161) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0047619 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 164) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0047619 k( 165) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0047619 k( 166) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0047619 k( 167) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0047619 k( 168) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0047619 k( 169) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0047619 k( 170) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0047619 k( 171) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0047619 k( 172) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0047619 k( 173) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0047619 k( 174) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0047619 k( 175) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0047619 k( 176) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0047619 k( 177) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0047619 k( 178) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0047619 k( 179) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0047619 k( 180) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0047619 k( 181) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0047619 k( 182) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0047619 k( 183) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0047619 k( 184) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0047619 k( 185) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0047619 k( 186) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047619 k( 187) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047619 k( 188) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0047619 k( 189) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0047619 k( 190) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0047619 k( 191) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0047619 k( 192) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0047619 k( 193) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0047619 k( 194) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0047619 k( 195) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0047619 k( 196) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0047619 k( 197) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0047619 k( 198) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0047619 k( 199) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0047619 k( 200) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0047619 k( 201) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0047619 k( 202) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0047619 k( 203) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0047619 k( 204) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0047619 k( 205) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0047619 k( 206) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0047619 k( 207) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0047619 k( 208) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0047619 k( 209) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0047619 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 Dense grid: 233637 G-vectors FFT dimensions: ( 90, 90, 75) Smooth grid: 94935 G-vectors FFT dimensions: ( 64, 64, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 344, 84) NL pseudopotentials 0.62 Mb ( 172, 238) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.02 Mb ( 3249) G-vector shells 0.01 Mb ( 1597) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.76 Mb ( 344, 336) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.61 Mb ( 238, 2, 84) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ba3N.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.5 secs Computing kpt #: 10 total cpu time spent up to now is 17.0 secs Computing kpt #: 11 total cpu time spent up to now is 18.5 secs Computing kpt #: 12 total cpu time spent up to now is 20.2 secs Computing kpt #: 13 total cpu time spent up to now is 21.9 secs Computing kpt #: 14 total cpu time spent up to now is 23.5 secs Computing kpt #: 15 total cpu time spent up to now is 25.2 secs Computing kpt #: 16 total cpu time spent up to now is 26.9 secs Computing kpt #: 17 total cpu time spent up to now is 28.4 secs Computing kpt #: 18 total cpu time spent up to now is 30.0 secs Computing kpt #: 19 total cpu time spent up to now is 31.8 secs Computing kpt #: 20 total cpu time spent up to now is 33.3 secs Computing kpt #: 21 total cpu time spent up to now is 34.9 secs Computing kpt #: 22 total cpu time spent up to now is 36.5 secs Computing kpt #: 23 total cpu time spent up to now is 38.3 secs Computing kpt #: 24 total cpu time spent up to now is 40.0 secs Computing kpt #: 25 total cpu time spent up to now is 41.8 secs Computing kpt #: 26 total cpu time spent up to now is 43.6 secs Computing kpt #: 27 total cpu time spent up to now is 45.4 secs Computing kpt #: 28 total cpu time spent up to now is 47.2 secs Computing kpt #: 29 total cpu time spent up to now is 49.0 secs Computing kpt #: 30 total cpu time spent up to now is 50.8 secs Computing kpt #: 31 total cpu time spent up to now is 52.5 secs Computing kpt #: 32 total cpu time spent up to now is 54.3 secs Computing kpt #: 33 total cpu time spent up to now is 56.1 secs Computing kpt #: 34 total cpu time spent up to now is 57.8 secs Computing kpt #: 35 total cpu time spent up to now is 59.6 secs Computing kpt #: 36 total cpu time spent up to now is 61.4 secs Computing kpt #: 37 total cpu time spent up to now is 63.2 secs Computing kpt #: 38 total cpu time spent up to now is 65.0 secs Computing kpt #: 39 total cpu time spent up to now is 66.9 secs Computing kpt #: 40 total cpu time spent up to now is 68.7 secs Computing kpt #: 41 total cpu time spent up to now is 70.7 secs Computing kpt #: 42 total cpu time spent up to now is 72.5 secs Computing kpt #: 43 total cpu time spent up to now is 74.4 secs Computing kpt #: 44 total cpu time spent up to now is 76.3 secs Computing kpt #: 45 total cpu time spent up to now is 78.1 secs Computing kpt #: 46 total cpu time spent up to now is 79.9 secs Computing kpt #: 47 total cpu time spent up to now is 81.8 secs Computing kpt #: 48 total cpu time spent up to now is 83.6 secs Computing kpt #: 49 total cpu time spent up to now is 85.4 secs Computing kpt #: 50 total cpu time spent up to now is 87.2 secs Computing kpt #: 51 total cpu time spent up to now is 89.0 secs Computing kpt #: 52 total cpu time spent up to now is 90.7 secs Computing kpt #: 53 total cpu time spent up to now is 92.4 secs Computing kpt #: 54 total cpu time spent up to now is 94.2 secs Computing kpt #: 55 total cpu time spent up to now is 95.9 secs Computing kpt #: 56 total cpu time spent up to now is 97.6 secs Computing kpt #: 57 total cpu time spent up to now is 99.2 secs Computing kpt #: 58 total cpu time spent up to now is 100.9 secs Computing kpt #: 59 total cpu time spent up to now is 102.6 secs Computing kpt #: 60 total cpu time spent up to now is 104.1 secs Computing kpt #: 61 total cpu time spent up to now is 105.6 secs Computing kpt #: 62 total cpu time spent up to now is 107.1 secs Computing kpt #: 63 total cpu time spent up to now is 108.6 secs Computing kpt #: 64 total cpu time spent up to now is 110.1 secs Computing kpt #: 65 total cpu time spent up to now is 111.6 secs Computing kpt #: 66 total cpu time spent up to now is 113.1 secs Computing kpt #: 67 total cpu time spent up to now is 114.8 secs Computing kpt #: 68 total cpu time spent up to now is 116.5 secs Computing kpt #: 69 total cpu time spent up to now is 118.2 secs Computing kpt #: 70 total cpu time spent up to now is 119.9 secs Computing kpt #: 71 total cpu time spent up to now is 121.6 secs Computing kpt #: 72 total cpu time spent up to now is 123.3 secs Computing kpt #: 73 total cpu time spent up to now is 125.0 secs Computing kpt #: 74 total cpu time spent up to now is 126.7 secs Computing kpt #: 75 total cpu time spent up to now is 128.4 secs Computing kpt #: 76 total cpu time spent up to now is 130.1 secs Computing kpt #: 77 total cpu time spent up to now is 131.7 secs Computing kpt #: 78 total cpu time spent up to now is 133.4 secs Computing kpt #: 79 total cpu time spent up to now is 135.0 secs Computing kpt #: 80 total cpu time spent up to now is 136.8 secs Computing kpt #: 81 total cpu time spent up to now is 138.2 secs Computing kpt #: 82 total cpu time spent up to now is 139.9 secs Computing kpt #: 83 total cpu time spent up to now is 141.4 secs Computing kpt #: 84 total cpu time spent up to now is 142.8 secs Computing kpt #: 85 total cpu time spent up to now is 144.2 secs Computing kpt #: 86 total cpu time spent up to now is 145.7 secs Computing kpt #: 87 total cpu time spent up to now is 147.2 secs Computing kpt #: 88 total cpu time spent up to now is 149.0 secs Computing kpt #: 89 total cpu time spent up to now is 150.4 secs Computing kpt #: 90 total cpu time spent up to now is 151.9 secs Computing kpt #: 91 total cpu time spent up to now is 153.4 secs Computing kpt #: 92 total cpu time spent up to now is 154.9 secs Computing kpt #: 93 total cpu time spent up to now is 156.6 secs Computing kpt #: 94 total cpu time spent up to now is 158.4 secs Computing kpt #: 95 total cpu time spent up to now is 160.2 secs Computing kpt #: 96 total cpu time spent up to now is 162.0 secs Computing kpt #: 97 total cpu time spent up to now is 163.6 secs Computing kpt #: 98 total cpu time spent up to now is 165.1 secs Computing kpt #: 99 total cpu time spent up to now is 166.6 secs Computing kpt #: 100 total cpu time spent up to now is 168.1 secs Computing kpt #: 101 total cpu time spent up to now is 169.6 secs Computing kpt #: 102 total cpu time spent up to now is 171.1 secs Computing kpt #: 103 total cpu time spent up to now is 172.6 secs Computing kpt #: 104 total cpu time spent up to now is 174.1 secs Computing kpt #: 105 total cpu time spent up to now is 175.6 secs Computing kpt #: 106 total cpu time spent up to now is 177.1 secs Computing kpt #: 107 total cpu time spent up to now is 178.6 secs Computing kpt #: 108 total cpu time spent up to now is 180.1 secs Computing kpt #: 109 total cpu time spent up to now is 181.6 secs Computing kpt #: 110 total cpu time spent up to now is 183.1 secs Computing kpt #: 111 total cpu time spent up to now is 184.7 secs Computing kpt #: 112 total cpu time spent up to now is 186.3 secs Computing kpt #: 113 total cpu time spent up to now is 188.0 secs Computing kpt #: 114 total cpu time spent up to now is 189.7 secs Computing kpt #: 115 total cpu time spent up to now is 191.4 secs Computing kpt #: 116 total cpu time spent up to now is 193.1 secs Computing kpt #: 117 total cpu time spent up to now is 194.8 secs Computing kpt #: 118 total cpu time spent up to now is 196.3 secs Computing kpt #: 119 total cpu time spent up to now is 197.8 secs Computing kpt #: 120 total cpu time spent up to now is 199.3 secs Computing kpt #: 121 total cpu time spent up to now is 200.8 secs Computing kpt #: 122 total cpu time spent up to now is 202.3 secs Computing kpt #: 123 total cpu time spent up to now is 204.0 secs Computing kpt #: 124 total cpu time spent up to now is 205.7 secs Computing kpt #: 125 total cpu time spent up to now is 207.4 secs Computing kpt #: 126 total cpu time spent up to now is 209.1 secs Computing kpt #: 127 total cpu time spent up to now is 210.8 secs Computing kpt #: 128 total cpu time spent up to now is 212.4 secs Computing kpt #: 129 total cpu time spent up to now is 214.1 secs Computing kpt #: 130 total cpu time spent up to now is 215.8 secs Computing kpt #: 131 total cpu time spent up to now is 217.5 secs Computing kpt #: 132 total cpu time spent up to now is 219.2 secs Computing kpt #: 133 total cpu time spent up to now is 220.8 secs Computing kpt #: 134 total cpu time spent up to now is 222.5 secs Computing kpt #: 135 total cpu time spent up to now is 224.2 secs Computing kpt #: 136 total cpu time spent up to now is 225.9 secs Computing kpt #: 137 total cpu time spent up to now is 227.5 secs Computing kpt #: 138 total cpu time spent up to now is 229.2 secs Computing kpt #: 139 total cpu time spent up to now is 230.9 secs Computing kpt #: 140 total cpu time spent up to now is 232.5 secs Computing kpt #: 141 total cpu time spent up to now is 234.2 secs Computing kpt #: 142 total cpu time spent up to now is 235.9 secs Computing kpt #: 143 total cpu time spent up to now is 237.6 secs Computing kpt #: 144 total cpu time spent up to now is 239.3 secs Computing kpt #: 145 total cpu time spent up to now is 241.0 secs Computing kpt #: 146 total cpu time spent up to now is 242.7 secs Computing kpt #: 147 total cpu time spent up to now is 244.4 secs Computing kpt #: 148 total cpu time spent up to now is 246.0 secs Computing kpt #: 149 total cpu time spent up to now is 247.7 secs Computing kpt #: 150 total cpu time spent up to now is 249.2 secs Computing kpt #: 151 total cpu time spent up to now is 250.7 secs Computing kpt #: 152 total cpu time spent up to now is 252.2 secs Computing kpt #: 153 total cpu time spent up to now is 253.7 secs Computing kpt #: 154 total cpu time spent up to now is 255.2 secs Computing kpt #: 155 total cpu time spent up to now is 256.7 secs Computing kpt #: 156 total cpu time spent up to now is 258.2 secs Computing kpt #: 157 total cpu time spent up to now is 259.7 secs Computing kpt #: 158 total cpu time spent up to now is 261.2 secs Computing kpt #: 159 total cpu time spent up to now is 262.8 secs Computing kpt #: 160 total cpu time spent up to now is 264.5 secs Computing kpt #: 161 total cpu time spent up to now is 266.3 secs Computing kpt #: 162 total cpu time spent up to now is 268.1 secs Computing kpt #: 163 total cpu time spent up to now is 269.6 secs Computing kpt #: 164 total cpu time spent up to now is 271.3 secs Computing kpt #: 165 total cpu time spent up to now is 273.0 secs Computing kpt #: 166 total cpu time spent up to now is 274.8 secs Computing kpt #: 167 total cpu time spent up to now is 276.5 secs Computing kpt #: 168 total cpu time spent up to now is 278.2 secs Computing kpt #: 169 total cpu time spent up to now is 280.3 secs Computing kpt #: 170 total cpu time spent up to now is 282.0 secs Computing kpt #: 171 total cpu time spent up to now is 283.7 secs Computing kpt #: 172 total cpu time spent up to now is 285.4 secs Computing kpt #: 173 total cpu time spent up to now is 287.0 secs Computing kpt #: 174 total cpu time spent up to now is 288.9 secs Computing kpt #: 175 total cpu time spent up to now is 290.6 secs Computing kpt #: 176 total cpu time spent up to now is 292.3 secs Computing kpt #: 177 total cpu time spent up to now is 294.0 secs Computing kpt #: 178 total cpu time spent up to now is 295.7 secs Computing kpt #: 179 total cpu time spent up to now is 297.5 secs Computing kpt #: 180 total cpu time spent up to now is 299.2 secs Computing kpt #: 181 total cpu time spent up to now is 300.9 secs Computing kpt #: 182 total cpu time spent up to now is 302.7 secs Computing kpt #: 183 total cpu time spent up to now is 304.5 secs Computing kpt #: 184 total cpu time spent up to now is 306.3 secs Computing kpt #: 185 total cpu time spent up to now is 308.1 secs Computing kpt #: 186 total cpu time spent up to now is 309.9 secs Computing kpt #: 187 total cpu time spent up to now is 311.9 secs Computing kpt #: 188 total cpu time spent up to now is 313.9 secs Computing kpt #: 189 total cpu time spent up to now is 315.8 secs Computing kpt #: 190 total cpu time spent up to now is 317.7 secs Computing kpt #: 191 total cpu time spent up to now is 319.6 secs Computing kpt #: 192 total cpu time spent up to now is 321.4 secs Computing kpt #: 193 total cpu time spent up to now is 323.2 secs Computing kpt #: 194 total cpu time spent up to now is 325.0 secs Computing kpt #: 195 total cpu time spent up to now is 326.8 secs Computing kpt #: 196 total cpu time spent up to now is 328.6 secs Computing kpt #: 197 total cpu time spent up to now is 330.4 secs Computing kpt #: 198 total cpu time spent up to now is 332.2 secs Computing kpt #: 199 total cpu time spent up to now is 334.0 secs Computing kpt #: 200 total cpu time spent up to now is 335.8 secs Computing kpt #: 201 total cpu time spent up to now is 337.6 secs Computing kpt #: 202 total cpu time spent up to now is 339.4 secs Computing kpt #: 203 total cpu time spent up to now is 341.2 secs Computing kpt #: 204 total cpu time spent up to now is 342.9 secs Computing kpt #: 205 total cpu time spent up to now is 344.8 secs Computing kpt #: 206 total cpu time spent up to now is 346.5 secs Computing kpt #: 207 total cpu time spent up to now is 348.3 secs Computing kpt #: 208 total cpu time spent up to now is 350.0 secs Computing kpt #: 209 total cpu time spent up to now is 351.6 secs Computing kpt #: 210 total cpu time spent up to now is 353.3 secs ethr = 1.43E-08, avg # of iterations = 22.6 total cpu time spent up to now is 353.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11837 PWs) bands (ev): -21.8510 -21.8510 -21.7536 -21.7536 -21.6884 -21.6884 -21.6883 -21.6883 -21.6488 -21.6488 -21.6488 -21.6488 -8.9685 -8.9685 -8.7964 -8.7964 -8.5938 -8.5938 -8.5832 -8.5832 -8.4857 -8.4857 -8.1398 -8.1398 -7.2534 -7.2534 -7.2209 -7.2209 -6.7889 -6.7889 -6.6708 -6.6708 -6.6297 -6.6297 -6.5053 -6.5053 -6.4599 -6.4599 -6.3551 -6.3551 -6.1516 -6.1516 -6.0185 -6.0185 -5.9523 -5.9523 -5.9399 -5.9399 -4.6850 -4.6850 -4.3756 -4.3756 4.3659 4.3659 4.5144 4.5144 4.5344 4.5344 4.6329 4.6329 4.6541 4.6541 4.6721 4.6721 4.9469 4.9469 6.3542 6.3542 6.9880 6.9880 7.0150 7.0150 7.1654 7.1654 7.3571 7.3571 7.4316 7.4316 7.5876 7.5876 7.6092 7.6092 7.6545 7.6545 k = 0.0208 0.0120-0.0000 ( 11857 PWs) bands (ev): -21.8510 -21.8510 -21.7536 -21.7536 -21.6884 -21.6884 -21.6883 -21.6883 -21.6488 -21.6488 -21.6488 -21.6488 -8.9685 -8.9685 -8.7963 -8.7963 -8.5938 -8.5938 -8.5832 -8.5832 -8.4856 -8.4856 -8.1400 -8.1400 -7.2533 -7.2533 -7.2210 -7.2210 -6.7889 -6.7889 -6.6707 -6.6707 -6.6298 -6.6298 -6.5051 -6.5051 -6.4597 -6.4597 -6.3550 -6.3550 -6.1514 -6.1514 -6.0187 -6.0187 -5.9527 -5.9527 -5.9400 -5.9400 -4.6849 -4.6849 -4.3754 -4.3754 4.3660 4.3660 4.5016 4.5016 4.5431 4.5431 4.6373 4.6373 4.6540 4.6540 4.6728 4.6728 4.9466 4.9466 6.3533 6.3533 6.9809 6.9809 7.0184 7.0184 7.1668 7.1668 7.3564 7.3564 7.4178 7.4178 7.5947 7.5947 7.6197 7.6197 7.6452 7.6452 k = 0.0417 0.0241-0.0000 ( 11859 PWs) bands (ev): -21.8509 -21.8509 -21.7536 -21.7536 -21.6885 -21.6885 -21.6883 -21.6883 -21.6488 -21.6488 -21.6488 -21.6488 -8.9682 -8.9682 -8.7963 -8.7963 -8.5939 -8.5939 -8.5832 -8.5832 -8.4852 -8.4852 -8.1405 -8.1405 -7.2530 -7.2530 -7.2215 -7.2215 -6.7892 -6.7892 -6.6704 -6.6704 -6.6301 -6.6301 -6.5045 -6.5045 -6.4593 -6.4593 -6.3549 -6.3549 -6.1509 -6.1509 -6.0193 -6.0193 -5.9539 -5.9539 -5.9403 -5.9403 -4.6846 -4.6846 -4.3750 -4.3750 4.3661 4.3661 4.4807 4.4807 4.5524 4.5524 4.6483 4.6483 4.6537 4.6537 4.6766 4.6766 4.9455 4.9455 6.3508 6.3508 6.9633 6.9633 7.0253 7.0253 7.1706 7.1706 7.3542 7.3542 7.3861 7.3861 7.6034 7.6034 7.6115 7.6115 7.6538 7.6538 k = 0.0625 0.0361-0.0000 ( 11849 PWs) bands (ev): -21.8508 -21.8508 -21.7535 -21.7535 -21.6886 -21.6886 -21.6884 -21.6884 -21.6489 -21.6489 -21.6488 -21.6488 -8.9678 -8.9678 -8.7962 -8.7962 -8.5940 -8.5940 -8.5831 -8.5831 -8.4847 -8.4847 -8.1413 -8.1413 -7.2524 -7.2524 -7.2222 -7.2222 -6.7897 -6.7897 -6.6699 -6.6699 -6.6306 -6.6306 -6.5036 -6.5036 -6.4585 -6.4585 -6.3548 -6.3548 -6.1500 -6.1500 -6.0203 -6.0203 -5.9559 -5.9559 -5.9408 -5.9408 -4.6840 -4.6840 -4.3742 -4.3742 4.3663 4.3663 4.4588 4.4588 4.5572 4.5572 4.6530 4.6530 4.6574 4.6574 4.6905 4.6905 4.9439 4.9439 6.3472 6.3472 6.9378 6.9378 7.0332 7.0332 7.1762 7.1762 7.3462 7.3462 7.3527 7.3527 7.5602 7.5602 7.6132 7.6132 7.6751 7.6751 k = 0.0833 0.0481-0.0000 ( 11847 PWs) bands (ev): -21.8505 -21.8505 -21.7534 -21.7534 -21.6889 -21.6889 -21.6885 -21.6885 -21.6489 -21.6489 -21.6488 -21.6488 -8.9672 -8.9672 -8.7960 -8.7960 -8.5941 -8.5941 -8.5829 -8.5829 -8.4841 -8.4841 -8.1425 -8.1425 -7.2517 -7.2517 -7.2232 -7.2232 -6.7903 -6.7903 -6.6693 -6.6693 -6.6312 -6.6312 -6.5023 -6.5023 -6.4574 -6.4574 -6.3546 -6.3546 -6.1488 -6.1488 -6.0217 -6.0217 -5.9586 -5.9586 -5.9416 -5.9416 -4.6832 -4.6832 -4.3731 -4.3731 4.3663 4.3663 4.4371 4.4371 4.5585 4.5585 4.6521 4.6521 4.6598 4.6598 4.7164 4.7164 4.9416 4.9416 6.3430 6.3430 6.9052 6.9052 7.0415 7.0415 7.1831 7.1831 7.3081 7.3081 7.3467 7.3467 7.5028 7.5028 7.6255 7.6255 7.6732 7.6732 k = 0.1042 0.0601-0.0000 ( 11839 PWs) bands (ev): -21.8502 -21.8502 -21.7533 -21.7533 -21.6891 -21.6891 -21.6886 -21.6886 -21.6489 -21.6489 -21.6488 -21.6488 -8.9664 -8.9664 -8.7959 -8.7959 -8.5942 -8.5942 -8.5828 -8.5828 -8.4832 -8.4832 -8.1440 -8.1440 -7.2507 -7.2507 -7.2244 -7.2244 -6.7910 -6.7910 -6.6685 -6.6685 -6.6319 -6.6319 -6.5006 -6.5006 -6.4560 -6.4560 -6.3543 -6.3543 -6.1473 -6.1473 -6.0236 -6.0236 -5.9619 -5.9619 -5.9425 -5.9425 -4.6822 -4.6822 -4.3718 -4.3718 4.3661 4.3661 4.4162 4.4162 4.5576 4.5576 4.6509 4.6509 4.6598 4.6598 4.7487 4.7487 4.9388 4.9388 6.3391 6.3391 6.8665 6.8665 7.0493 7.0493 7.1907 7.1907 7.2695 7.2695 7.3408 7.3408 7.4443 7.4443 7.6406 7.6406 7.6712 7.6712 k = 0.1250 0.0722-0.0000 ( 11857 PWs) bands (ev): -21.8499 -21.8499 -21.7531 -21.7531 -21.6895 -21.6895 -21.6887 -21.6887 -21.6489 -21.6489 -21.6488 -21.6488 -8.9656 -8.9656 -8.7957 -8.7957 -8.5944 -8.5944 -8.5826 -8.5826 -8.4822 -8.4822 -8.1458 -8.1458 -7.2495 -7.2495 -7.2259 -7.2259 -6.7920 -6.7920 -6.6676 -6.6676 -6.6327 -6.6327 -6.4986 -6.4986 -6.4544 -6.4544 -6.3540 -6.3540 -6.1455 -6.1455 -6.0258 -6.0258 -5.9658 -5.9658 -5.9436 -5.9436 -4.6810 -4.6810 -4.3702 -4.3702 4.3654 4.3654 4.3965 4.3965 4.5553 4.5553 4.6492 4.6492 4.6591 4.6591 4.7847 4.7847 4.9355 4.9355 6.3364 6.3364 6.8222 6.8222 7.0556 7.0556 7.1980 7.1980 7.2333 7.2333 7.3340 7.3340 7.3874 7.3874 7.6568 7.6568 7.6702 7.6702 k = 0.1458 0.0842-0.0000 ( 11845 PWs) bands (ev): -21.8495 -21.8495 -21.7529 -21.7529 -21.6899 -21.6899 -21.6889 -21.6889 -21.6490 -21.6490 -21.6489 -21.6489 -8.9645 -8.9645 -8.7955 -8.7955 -8.5946 -8.5946 -8.5823 -8.5823 -8.4810 -8.4810 -8.1478 -8.1478 -7.2482 -7.2482 -7.2275 -7.2275 -6.7930 -6.7930 -6.6667 -6.6667 -6.6335 -6.6335 -6.4964 -6.4964 -6.4525 -6.4525 -6.3537 -6.3537 -6.1435 -6.1435 -6.0285 -6.0285 -5.9701 -5.9701 -5.9449 -5.9449 -4.6797 -4.6797 -4.3684 -4.3684 4.3637 4.3637 4.3785 4.3785 4.5522 4.5522 4.6470 4.6470 4.6582 4.6582 4.8232 4.8232 4.9319 4.9319 6.3355 6.3355 6.7733 6.7733 7.0591 7.0591 7.1907 7.1907 7.2138 7.2138 7.3264 7.3264 7.3341 7.3341 7.6609 7.6609 7.6831 7.6831 k = 0.1667 0.0962-0.0000 ( 11841 PWs) bands (ev): -21.8491 -21.8491 -21.7527 -21.7527 -21.6903 -21.6903 -21.6890 -21.6890 -21.6490 -21.6490 -21.6489 -21.6489 -8.9634 -8.9634 -8.7952 -8.7952 -8.5947 -8.5947 -8.5821 -8.5821 -8.4797 -8.4797 -8.1501 -8.1501 -7.2468 -7.2468 -7.2293 -7.2293 -6.7941 -6.7941 -6.6658 -6.6658 -6.6342 -6.6342 -6.4939 -6.4939 -6.4505 -6.4505 -6.3534 -6.3534 -6.1413 -6.1413 -6.0316 -6.0316 -5.9748 -5.9748 -5.9463 -5.9463 -4.6782 -4.6782 -4.3665 -4.3665 4.3572 4.3572 4.3656 4.3656 4.5485 4.5485 4.6444 4.6444 4.6573 4.6573 4.8635 4.8635 4.9282 4.9282 6.3371 6.3371 6.7207 6.7207 7.0587 7.0587 7.1594 7.1594 7.2195 7.2195 7.2863 7.2863 7.3181 7.3181 7.6562 7.6562 7.7061 7.7061 k = 0.1875 0.1083-0.0000 ( 11843 PWs) bands (ev): -21.8486 -21.8486 -21.7525 -21.7525 -21.6908 -21.6908 -21.6892 -21.6892 -21.6491 -21.6491 -21.6489 -21.6489 -8.9622 -8.9622 -8.7950 -8.7950 -8.5949 -8.5949 -8.5818 -8.5818 -8.4782 -8.4782 -8.1526 -8.1526 -7.2453 -7.2453 -7.2313 -7.2313 -6.7953 -6.7953 -6.6650 -6.6650 -6.6347 -6.6347 -6.4911 -6.4911 -6.4483 -6.4483 -6.3531 -6.3531 -6.1389 -6.1389 -6.0351 -6.0351 -5.9796 -5.9796 -5.9478 -5.9478 -4.6766 -4.6766 -4.3644 -4.3644 4.3428 4.3428 4.3610 4.3610 4.5446 4.5446 4.6415 4.6415 4.6565 4.6565 4.9033 4.9033 4.9265 4.9265 6.3417 6.3417 6.6651 6.6651 7.0534 7.0534 7.1276 7.1276 7.2207 7.2207 7.2512 7.2512 7.3095 7.3095 7.6495 7.6495 7.7321 7.7321 k = 0.2083 0.1203-0.0000 ( 11838 PWs) bands (ev): -21.8481 -21.8481 -21.7523 -21.7523 -21.6913 -21.6913 -21.6893 -21.6893 -21.6492 -21.6492 -21.6489 -21.6489 -8.9609 -8.9609 -8.7947 -8.7947 -8.5951 -8.5951 -8.5815 -8.5815 -8.4767 -8.4767 -8.1553 -8.1553 -7.2438 -7.2438 -7.2333 -7.2333 -6.7966 -6.7966 -6.6643 -6.6643 -6.6351 -6.6351 -6.4882 -6.4882 -6.4460 -6.4460 -6.3528 -6.3528 -6.1364 -6.1364 -6.0391 -6.0391 -5.9846 -5.9846 -5.9493 -5.9493 -4.6749 -4.6749 -4.3622 -4.3622 4.3282 4.3282 4.3567 4.3567 4.5408 4.5408 4.6384 4.6384 4.6557 4.6557 4.9159 4.9159 4.9535 4.9535 6.3497 6.3497 6.6076 6.6076 7.0423 7.0423 7.0968 7.0968 7.1983 7.1983 7.2464 7.2464 7.3008 7.3008 7.6416 7.6416 7.7603 7.7603 k = 0.2292 0.1323-0.0000 ( 11832 PWs) bands (ev): -21.8476 -21.8476 -21.7521 -21.7521 -21.6918 -21.6918 -21.6895 -21.6895 -21.6492 -21.6492 -21.6489 -21.6489 -8.9596 -8.9596 -8.7944 -8.7944 -8.5953 -8.5953 -8.5812 -8.5812 -8.4751 -8.4751 -8.1581 -8.1581 -7.2424 -7.2424 -7.2351 -7.2351 -6.7979 -6.7979 -6.6639 -6.6639 -6.6351 -6.6351 -6.4851 -6.4851 -6.4436 -6.4436 -6.3525 -6.3525 -6.1339 -6.1339 -6.0434 -6.0434 -5.9895 -5.9895 -5.9509 -5.9509 -4.6731 -4.6731 -4.3600 -4.3600 4.3146 4.3146 4.3515 4.3515 4.5372 4.5372 4.6353 4.6353 4.6549 4.6549 4.9125 4.9125 4.9976 4.9976 6.3613 6.3613 6.5490 6.5490 7.0254 7.0254 7.0668 7.0668 7.1723 7.1723 7.2512 7.2512 7.2925 7.2925 7.6328 7.6328 7.7904 7.7904 k = 0.2500 0.1443-0.0000 ( 11830 PWs) bands (ev): -21.8471 -21.8471 -21.7518 -21.7518 -21.6924 -21.6924 -21.6897 -21.6897 -21.6493 -21.6493 -21.6490 -21.6490 -8.9582 -8.9582 -8.7941 -8.7941 -8.5954 -8.5954 -8.5809 -8.5809 -8.4735 -8.4735 -8.1609 -8.1609 -7.2416 -7.2416 -7.2365 -7.2365 -6.7992 -6.7992 -6.6638 -6.6638 -6.6347 -6.6347 -6.4819 -6.4819 -6.4412 -6.4412 -6.3522 -6.3522 -6.1312 -6.1312 -6.0481 -6.0481 -5.9942 -5.9942 -5.9526 -5.9526 -4.6713 -4.6713 -4.3578 -4.3578 4.3022 4.3022 4.3451 4.3451 4.5340 4.5340 4.6321 4.6321 4.6541 4.6541 4.9082 4.9082 5.0436 5.0436 6.3765 6.3765 6.4903 6.4903 7.0032 7.0032 7.0381 7.0381 7.1516 7.1516 7.2543 7.2543 7.2852 7.2852 7.6238 7.6238 7.8219 7.8219 k = 0.2708 0.1564-0.0000 ( 11838 PWs) bands (ev): -21.8465 -21.8465 -21.7516 -21.7516 -21.6929 -21.6929 -21.6899 -21.6899 -21.6494 -21.6494 -21.6490 -21.6490 -8.9568 -8.9568 -8.7938 -8.7938 -8.5956 -8.5956 -8.5805 -8.5805 -8.4718 -8.4718 -8.1638 -8.1638 -7.2421 -7.2421 -7.2364 -7.2364 -6.8006 -6.8006 -6.6640 -6.6640 -6.6341 -6.6341 -6.4787 -6.4787 -6.4388 -6.4388 -6.3520 -6.3520 -6.1286 -6.1286 -6.0530 -6.0530 -5.9986 -5.9986 -5.9542 -5.9542 -4.6695 -4.6695 -4.3556 -4.3556 4.2909 4.2909 4.3378 4.3378 4.5312 4.5312 4.6289 4.6289 4.6533 4.6533 4.9038 4.9038 5.0906 5.0906 6.3949 6.3949 6.4323 6.4323 6.9767 6.9767 7.0121 7.0121 7.1354 7.1354 7.2535 7.2535 7.2797 7.2797 7.6151 7.6151 7.8544 7.8544 k = 0.2917 0.1684-0.0000 ( 11848 PWs) bands (ev): -21.8460 -21.8460 -21.7513 -21.7513 -21.6935 -21.6935 -21.6900 -21.6900 -21.6494 -21.6494 -21.6490 -21.6490 -8.9554 -8.9554 -8.7936 -8.7936 -8.5957 -8.5957 -8.5802 -8.5802 -8.4702 -8.4702 -8.1667 -8.1667 -7.2437 -7.2437 -7.2353 -7.2353 -6.8018 -6.8018 -6.6644 -6.6644 -6.6331 -6.6331 -6.4754 -6.4754 -6.4365 -6.4365 -6.3519 -6.3519 -6.1260 -6.1260 -6.0582 -6.0582 -6.0028 -6.0028 -5.9558 -5.9558 -4.6678 -4.6678 -4.3535 -4.3535 4.2807 4.2807 4.3296 4.3296 4.5290 4.5290 4.6258 4.6258 4.6525 4.6525 4.8994 4.8994 5.1380 5.1380 6.3737 6.3737 6.4181 6.4181 6.9476 6.9476 6.9894 6.9894 7.1217 7.1217 7.2486 7.2486 7.2751 7.2751 7.6072 7.6072 7.8877 7.8877 k = 0.3125 0.1804-0.0000 ( 11840 PWs) bands (ev): -21.8455 -21.8455 -21.7511 -21.7511 -21.6940 -21.6940 -21.6902 -21.6902 -21.6495 -21.6495 -21.6490 -21.6490 -8.9541 -8.9541 -8.7933 -8.7933 -8.5959 -8.5959 -8.5799 -8.5799 -8.4686 -8.4686 -8.1696 -8.1696 -7.2456 -7.2456 -7.2338 -7.2338 -6.8031 -6.8031 -6.6650 -6.6650 -6.6319 -6.6319 -6.4722 -6.4722 -6.4344 -6.4344 -6.3518 -6.3518 -6.1235 -6.1235 -6.0634 -6.0634 -6.0066 -6.0066 -5.9573 -5.9573 -4.6661 -4.6661 -4.3514 -4.3514 4.2715 4.2715 4.3210 4.3210 4.5273 4.5273 4.6229 4.6229 4.6518 4.6518 4.8953 4.8953 5.1855 5.1855 6.3183 6.3183 6.4426 6.4426 6.9178 6.9178 6.9694 6.9694 7.1095 7.1095 7.2413 7.2413 7.2697 7.2697 7.6007 7.6007 7.9212 7.9212 k = 0.3333 0.1925-0.0000 ( 11834 PWs) bands (ev): -21.8450 -21.8450 -21.7509 -21.7509 -21.6945 -21.6945 -21.6904 -21.6904 -21.6496 -21.6496 -21.6491 -21.6491 -8.9528 -8.9528 -8.7930 -8.7930 -8.5960 -8.5960 -8.5796 -8.5796 -8.4671 -8.4671 -8.1723 -8.1723 -7.2476 -7.2476 -7.2323 -7.2323 -6.8042 -6.8042 -6.6658 -6.6658 -6.6305 -6.6305 -6.4690 -6.4690 -6.4324 -6.4324 -6.3517 -6.3517 -6.1211 -6.1211 -6.0685 -6.0685 -6.0099 -6.0099 -5.9588 -5.9588 -4.6645 -4.6645 -4.3495 -4.3495 4.2635 4.2635 4.3121 4.3121 4.5261 4.5261 4.6202 4.6202 4.6511 4.6511 4.8915 4.8915 5.2327 5.2327 6.2647 6.2647 6.4697 6.4697 6.8888 6.8888 6.9518 6.9518 7.0982 7.0982 7.2325 7.2325 7.2623 7.2623 7.5959 7.5959 7.9544 7.9544 k = 0.3542 0.2045-0.0000 ( 11850 PWs) bands (ev): -21.8446 -21.8446 -21.7507 -21.7507 -21.6949 -21.6949 -21.6905 -21.6905 -21.6496 -21.6496 -21.6491 -21.6491 -8.9516 -8.9516 -8.7928 -8.7928 -8.5961 -8.5961 -8.5793 -8.5793 -8.4656 -8.4656 -8.1748 -8.1748 -7.2494 -7.2494 -7.2309 -7.2309 -6.8053 -6.8053 -6.6666 -6.6666 -6.6291 -6.6291 -6.4660 -6.4660 -6.4306 -6.4306 -6.3517 -6.3517 -6.1189 -6.1189 -6.0735 -6.0735 -6.0129 -6.0129 -5.9601 -5.9601 -4.6630 -4.6630 -4.3478 -4.3478 4.2564 4.2564 4.3035 4.3035 4.5252 4.5252 4.6177 4.6177 4.6504 4.6504 4.8879 4.8879 5.2790 5.2790 6.2136 6.2136 6.4983 6.4983 6.8615 6.8615 6.9364 6.9364 7.0877 7.0877 7.2224 7.2224 7.2534 7.2534 7.5929 7.5929 7.9867 7.9867 k = 0.3750 0.2165-0.0000 ( 11864 PWs) bands (ev): -21.8441 -21.8441 -21.7505 -21.7505 -21.6953 -21.6953 -21.6906 -21.6906 -21.6497 -21.6497 -21.6491 -21.6491 -8.9506 -8.9506 -8.7926 -8.7926 -8.5962 -8.5962 -8.5790 -8.5790 -8.4643 -8.4643 -8.1772 -8.1772 -7.2511 -7.2511 -7.2296 -7.2296 -6.8063 -6.8063 -6.6674 -6.6674 -6.6277 -6.6277 -6.4632 -6.4632 -6.4291 -6.4291 -6.3517 -6.3517 -6.1169 -6.1169 -6.0782 -6.0782 -6.0155 -6.0155 -5.9614 -5.9614 -4.6617 -4.6617 -4.3462 -4.3462 4.2502 4.2502 4.2952 4.2952 4.5246 4.5246 4.6155 4.6155 4.6497 4.6497 4.8848 4.8848 5.3237 5.3237 6.1656 6.1656 6.5277 6.5277 6.8366 6.8366 6.9231 6.9231 7.0779 7.0779 7.2103 7.2103 7.2441 7.2441 7.5913 7.5913 8.0177 8.0177 k = 0.3958 0.2285-0.0000 ( 11868 PWs) bands (ev): -21.8438 -21.8438 -21.7504 -21.7504 -21.6957 -21.6957 -21.6907 -21.6907 -21.6497 -21.6497 -21.6491 -21.6491 -8.9496 -8.9496 -8.7924 -8.7924 -8.5963 -8.5963 -8.5788 -8.5788 -8.4631 -8.4631 -8.1793 -8.1793 -7.2526 -7.2526 -7.2285 -7.2285 -6.8071 -6.8071 -6.6681 -6.6681 -6.6264 -6.6264 -6.4606 -6.4606 -6.4278 -6.4278 -6.3517 -6.3517 -6.1151 -6.1151 -6.0824 -6.0824 -6.0177 -6.0177 -5.9624 -5.9624 -4.6605 -4.6605 -4.3448 -4.3448 4.2450 4.2450 4.2878 4.2878 4.5242 4.5242 4.6136 4.6136 4.6491 4.6491 4.8821 4.8821 5.3659 5.3659 6.1214 6.1214 6.5567 6.5567 6.8144 6.8144 6.9118 6.9118 7.0692 7.0692 7.1961 7.1961 7.2359 7.2359 7.5909 7.5909 8.0464 8.0464 k = 0.4167 0.2406-0.0000 ( 11862 PWs) bands (ev): -21.8435 -21.8435 -21.7502 -21.7502 -21.6960 -21.6960 -21.6908 -21.6908 -21.6498 -21.6498 -21.6491 -21.6491 -8.9488 -8.9488 -8.7923 -8.7923 -8.5963 -8.5963 -8.5786 -8.5786 -8.4621 -8.4621 -8.1810 -8.1810 -7.2538 -7.2538 -7.2275 -7.2275 -6.8078 -6.8078 -6.6688 -6.6688 -6.6253 -6.6253 -6.4584 -6.4584 -6.4267 -6.4267 -6.3518 -6.3518 -6.1136 -6.1136 -6.0860 -6.0860 -6.0195 -6.0195 -5.9633 -5.9633 -4.6595 -4.6595 -4.3437 -4.3437 4.2407 4.2407 4.2815 4.2815 4.5239 4.5239 4.6120 4.6120 4.6486 4.6486 4.8798 4.8798 5.4045 5.4045 6.0817 6.0817 6.5840 6.5840 6.7955 6.7955 6.9026 6.9026 7.0616 7.0616 7.1805 7.1805 7.2293 7.2293 7.5914 7.5914 8.0720 8.0720 k = 0.4375 0.2526-0.0000 ( 11854 PWs) bands (ev): -21.8432 -21.8432 -21.7501 -21.7501 -21.6963 -21.6963 -21.6909 -21.6909 -21.6498 -21.6498 -21.6491 -21.6491 -8.9482 -8.9482 -8.7921 -8.7921 -8.5964 -8.5964 -8.5784 -8.5784 -8.4613 -8.4613 -8.1824 -8.1824 -7.2548 -7.2548 -7.2267 -7.2267 -6.8084 -6.8084 -6.6693 -6.6693 -6.6244 -6.6244 -6.4566 -6.4566 -6.4260 -6.4260 -6.3518 -6.3518 -6.1124 -6.1124 -6.0889 -6.0889 -6.0208 -6.0208 -5.9641 -5.9641 -4.6587 -4.6587 -4.3428 -4.3428 4.2373 4.2373 4.2764 4.2764 4.5238 4.5238 4.6107 4.6107 4.6482 4.6482 4.8781 4.8781 5.4379 5.4379 6.0479 6.0479 6.6080 6.6080 6.7803 6.7803 6.8954 6.8954 7.0555 7.0555 7.1653 7.1653 7.2245 7.2245 7.5921 7.5921 8.0936 8.0936 k = 0.4583 0.2646-0.0000 ( 11866 PWs) bands (ev): -21.8430 -21.8430 -21.7500 -21.7500 -21.6965 -21.6965 -21.6910 -21.6910 -21.6498 -21.6498 -21.6492 -21.6492 -8.9477 -8.9477 -8.7920 -8.7920 -8.5964 -8.5964 -8.5783 -8.5783 -8.4607 -8.4607 -8.1835 -8.1835 -7.2556 -7.2556 -7.2261 -7.2261 -6.8088 -6.8088 -6.6697 -6.6697 -6.6237 -6.6237 -6.4552 -6.4552 -6.4254 -6.4254 -6.3518 -6.3518 -6.1115 -6.1115 -6.0911 -6.0911 -6.0218 -6.0218 -5.9646 -5.9646 -4.6581 -4.6581 -4.3422 -4.3422 4.2348 4.2348 4.2726 4.2726 4.5237 4.5237 4.6098 4.6098 4.6479 4.6479 4.8768 4.8768 5.4641 5.4641 6.0216 6.0216 6.6271 6.6271 6.7691 6.7691 6.8902 6.8902 7.0509 7.0509 7.1523 7.1523 7.2212 7.2212 7.5929 7.5929 8.1101 8.1101 k = 0.4792 0.2766-0.0000 ( 11870 PWs) bands (ev): -21.8429 -21.8429 -21.7500 -21.7500 -21.6966 -21.6966 -21.6910 -21.6910 -21.6499 -21.6499 -21.6492 -21.6492 -8.9474 -8.9474 -8.7920 -8.7920 -8.5964 -8.5964 -8.5783 -8.5783 -8.4603 -8.4603 -8.1841 -8.1841 -7.2560 -7.2560 -7.2258 -7.2258 -6.8091 -6.8091 -6.6700 -6.6700 -6.6232 -6.6232 -6.4544 -6.4544 -6.4251 -6.4251 -6.3518 -6.3518 -6.1109 -6.1109 -6.0924 -6.0924 -6.0224 -6.0224 -5.9649 -5.9649 -4.6578 -4.6578 -4.3418 -4.3418 4.2333 4.2333 4.2703 4.2703 4.5237 4.5237 4.6092 4.6092 4.6478 4.6478 4.8760 4.8760 5.4811 5.4811 6.0047 6.0047 6.6394 6.6394 6.7623 6.7623 6.8871 6.8871 7.0481 7.0481 7.1436 7.1436 7.2193 7.2193 7.5935 7.5935 8.1206 8.1206 k = 0.5000 0.2887-0.0000 ( 11866 PWs) bands (ev): -21.8429 -21.8429 -21.7500 -21.7500 -21.6966 -21.6966 -21.6910 -21.6910 -21.6499 -21.6499 -21.6492 -21.6492 -8.9473 -8.9473 -8.7920 -8.7920 -8.5964 -8.5964 -8.5782 -8.5782 -8.4602 -8.4602 -8.1843 -8.1843 -7.2562 -7.2562 -7.2257 -7.2257 -6.8091 -6.8091 -6.6701 -6.6701 -6.6231 -6.6231 -6.4541 -6.4541 -6.4250 -6.4250 -6.3518 -6.3518 -6.1108 -6.1108 -6.0929 -6.0929 -6.0226 -6.0226 -5.9650 -5.9650 -4.6577 -4.6577 -4.3416 -4.3416 4.2328 4.2328 4.2696 4.2696 4.5237 4.5237 4.6090 4.6090 4.6477 4.6477 4.8757 4.8757 5.4870 5.4870 5.9988 5.9988 6.6437 6.6437 6.7600 6.7600 6.8861 6.8861 7.0472 7.0472 7.1405 7.1405 7.2186 7.2186 7.5937 7.5937 8.1241 8.1241 k = 0.5000 0.2887-0.0000 ( 11866 PWs) bands (ev): -21.8429 -21.8429 -21.7500 -21.7500 -21.6966 -21.6966 -21.6910 -21.6910 -21.6499 -21.6499 -21.6492 -21.6492 -8.9473 -8.9473 -8.7920 -8.7920 -8.5964 -8.5964 -8.5782 -8.5782 -8.4602 -8.4602 -8.1843 -8.1843 -7.2562 -7.2562 -7.2257 -7.2257 -6.8091 -6.8091 -6.6701 -6.6701 -6.6231 -6.6231 -6.4541 -6.4541 -6.4250 -6.4250 -6.3518 -6.3518 -6.1108 -6.1108 -6.0929 -6.0929 -6.0226 -6.0226 -5.9650 -5.9650 -4.6577 -4.6577 -4.3416 -4.3416 4.2328 4.2328 4.2696 4.2696 4.5237 4.5237 4.6090 4.6090 4.6477 4.6477 4.8757 4.8757 5.4870 5.4870 5.9988 5.9988 6.6437 6.6437 6.7600 6.7600 6.8861 6.8861 7.0472 7.0472 7.1405 7.1405 7.2186 7.2186 7.5937 7.5937 8.1241 8.1241 k = 0.4881 0.3093-0.0000 ( 11866 PWs) bands (ev): -21.8429 -21.8429 -21.7500 -21.7500 -21.6966 -21.6966 -21.6910 -21.6910 -21.6499 -21.6499 -21.6492 -21.6492 -8.9473 -8.9473 -8.7920 -8.7920 -8.5964 -8.5964 -8.5782 -8.5782 -8.4602 -8.4602 -8.1844 -8.1844 -7.2562 -7.2562 -7.2256 -7.2256 -6.8092 -6.8092 -6.6699 -6.6699 -6.6232 -6.6232 -6.4540 -6.4540 -6.4250 -6.4250 -6.3519 -6.3519 -6.1107 -6.1107 -6.0927 -6.0927 -6.0230 -6.0230 -5.9649 -5.9649 -4.6576 -4.6576 -4.3416 -4.3416 4.2332 4.2332 4.2697 4.2697 4.5218 4.5218 4.6091 4.6091 4.6472 4.6472 4.8756 4.8756 5.4911 5.4911 5.9986 5.9986 6.6431 6.6431 6.7537 6.7537 6.8868 6.8868 7.0461 7.0461 7.1404 7.1404 7.2169 7.2169 7.6036 7.6036 8.1270 8.1270 k = 0.4762 0.3299-0.0000 ( 11854 PWs) bands (ev): -21.8428 -21.8428 -21.7500 -21.7500 -21.6966 -21.6966 -21.6911 -21.6911 -21.6499 -21.6499 -21.6492 -21.6492 -8.9472 -8.9472 -8.7920 -8.7920 -8.5964 -8.5964 -8.5782 -8.5782 -8.4601 -8.4601 -8.1846 -8.1846 -7.2564 -7.2564 -7.2256 -7.2256 -6.8092 -6.8092 -6.6695 -6.6695 -6.6237 -6.6237 -6.4536 -6.4536 -6.4249 -6.4249 -6.3522 -6.3522 -6.1106 -6.1106 -6.0923 -6.0923 -6.0242 -6.0242 -5.9646 -5.9646 -4.6575 -4.6575 -4.3415 -4.3415 4.2342 4.2342 4.2700 4.2700 4.5163 4.5163 4.6093 4.6093 4.6458 4.6458 4.8751 4.8751 5.5034 5.5034 5.9982 5.9982 6.6413 6.6413 6.7351 6.7351 6.8891 6.8891 7.0438 7.0438 7.1399 7.1399 7.2116 7.2116 7.6318 7.6318 8.1357 8.1357 k = 0.4643 0.3505-0.0000 ( 11860 PWs) bands (ev): -21.8428 -21.8428 -21.7499 -21.7499 -21.6965 -21.6965 -21.6913 -21.6913 -21.6498 -21.6498 -21.6492 -21.6492 -8.9470 -8.9470 -8.7919 -8.7919 -8.5963 -8.5963 -8.5783 -8.5783 -8.4599 -8.4599 -8.1849 -8.1849 -7.2566 -7.2566 -7.2255 -7.2255 -6.8092 -6.8092 -6.6688 -6.6688 -6.6245 -6.6245 -6.4530 -6.4530 -6.4246 -6.4246 -6.3527 -6.3527 -6.1103 -6.1103 -6.0915 -6.0915 -6.0261 -6.0261 -5.9641 -5.9641 -4.6573 -4.6573 -4.3413 -4.3413 4.2359 4.2359 4.2705 4.2705 4.5072 4.5072 4.6095 4.6095 4.6438 4.6438 4.8743 4.8743 5.5232 5.5232 5.9975 5.9975 6.6384 6.6384 6.7049 6.7049 6.8928 6.8928 7.0428 7.0428 7.1391 7.1391 7.2031 7.2031 7.6751 7.6751 8.1496 8.1496 k = 0.4524 0.3712-0.0000 ( 11860 PWs) bands (ev): -21.8427 -21.8427 -21.7499 -21.7499 -21.6964 -21.6964 -21.6914 -21.6914 -21.6498 -21.6498 -21.6492 -21.6492 -8.9467 -8.9467 -8.7919 -8.7919 -8.5962 -8.5962 -8.5783 -8.5783 -8.4597 -8.4597 -8.1854 -8.1854 -7.2569 -7.2569 -7.2253 -7.2253 -6.8092 -6.8092 -6.6679 -6.6679 -6.6256 -6.6256 -6.4523 -6.4523 -6.4243 -6.4243 -6.3533 -6.3533 -6.1100 -6.1100 -6.0904 -6.0904 -6.0287 -6.0287 -5.9635 -5.9635 -4.6571 -4.6571 -4.3411 -4.3411 4.2382 4.2382 4.2712 4.2712 4.4951 4.4951 4.6100 4.6100 4.6414 4.6414 4.8732 4.8732 5.5499 5.5499 5.9967 5.9967 6.6336 6.6336 6.6657 6.6657 6.8978 6.8978 7.0447 7.0447 7.1379 7.1379 7.1918 7.1918 7.7296 7.7296 8.1684 8.1684 k = 0.4405 0.3918-0.0000 ( 11854 PWs) bands (ev): -21.8426 -21.8426 -21.7499 -21.7499 -21.6963 -21.6963 -21.6917 -21.6917 -21.6498 -21.6498 -21.6492 -21.6492 -8.9465 -8.9465 -8.7919 -8.7919 -8.5961 -8.5961 -8.5783 -8.5783 -8.4595 -8.4595 -8.1860 -8.1860 -7.2573 -7.2573 -7.2251 -7.2251 -6.8093 -6.8093 -6.6668 -6.6668 -6.6269 -6.6269 -6.4513 -6.4513 -6.4240 -6.4240 -6.3540 -6.3540 -6.1095 -6.1095 -6.0891 -6.0891 -6.0318 -6.0318 -5.9629 -5.9629 -4.6568 -4.6568 -4.3408 -4.3408 4.2412 4.2412 4.2721 4.2721 4.4804 4.4804 4.6105 4.6105 4.6388 4.6388 4.8720 4.8720 5.5827 5.5827 5.9960 5.9960 6.6094 6.6094 6.6372 6.6372 6.9043 6.9043 7.0499 7.0499 7.1361 7.1361 7.1784 7.1784 7.7919 7.7919 8.1913 8.1913 k = 0.4286 0.4124-0.0000 ( 11864 PWs) bands (ev): -21.8425 -21.8425 -21.7498 -21.7498 -21.6962 -21.6962 -21.6920 -21.6920 -21.6498 -21.6498 -21.6493 -21.6493 -8.9461 -8.9461 -8.7918 -8.7918 -8.5960 -8.5960 -8.5783 -8.5783 -8.4592 -8.4592 -8.1866 -8.1866 -7.2578 -7.2578 -7.2249 -7.2249 -6.8094 -6.8094 -6.6654 -6.6654 -6.6284 -6.6284 -6.4502 -6.4502 -6.4235 -6.4235 -6.3549 -6.3549 -6.1091 -6.1091 -6.0875 -6.0875 -6.0353 -6.0353 -5.9622 -5.9622 -4.6565 -4.6565 -4.3405 -4.3405 4.2446 4.2446 4.2734 4.2734 4.4638 4.4638 4.6111 4.6111 4.6363 4.6363 4.8706 4.8706 5.6208 5.6208 5.9954 5.9954 6.5567 6.5567 6.6312 6.6312 6.9119 6.9119 7.0576 7.0576 7.1331 7.1331 7.1645 7.1645 7.8593 7.8593 8.2178 8.2178 k = 0.4167 0.4330-0.0000 ( 11860 PWs) bands (ev): -21.8424 -21.8424 -21.7498 -21.7498 -21.6961 -21.6961 -21.6923 -21.6923 -21.6498 -21.6498 -21.6493 -21.6493 -8.9458 -8.9458 -8.7918 -8.7918 -8.5959 -8.5959 -8.5783 -8.5783 -8.4589 -8.4589 -8.1873 -8.1873 -7.2583 -7.2583 -7.2247 -7.2247 -6.8094 -6.8094 -6.6639 -6.6639 -6.6301 -6.6301 -6.4490 -6.4490 -6.4231 -6.4231 -6.3558 -6.3558 -6.1085 -6.1085 -6.0857 -6.0857 -6.0392 -6.0392 -5.9616 -5.9616 -4.6561 -4.6561 -4.3401 -4.3401 4.2485 4.2485 4.2750 4.2750 4.4461 4.4461 4.6119 4.6119 4.6338 4.6338 4.8692 4.8692 5.6634 5.6634 5.9952 5.9952 6.4976 6.4976 6.6275 6.6275 6.9207 6.9207 7.0667 7.0667 7.1274 7.1274 7.1522 7.1522 7.9295 7.9295 8.2470 8.2470 k = 0.4048 0.4536-0.0000 ( 11848 PWs) bands (ev): -21.8423 -21.8423 -21.7497 -21.7497 -21.6959 -21.6959 -21.6926 -21.6926 -21.6498 -21.6498 -21.6493 -21.6493 -8.9454 -8.9454 -8.7917 -8.7917 -8.5958 -8.5958 -8.5783 -8.5783 -8.4586 -8.4586 -8.1880 -8.1880 -7.2588 -7.2588 -7.2244 -7.2244 -6.8095 -6.8095 -6.6622 -6.6622 -6.6318 -6.6318 -6.4478 -6.4478 -6.4226 -6.4226 -6.3568 -6.3568 -6.1080 -6.1080 -6.0837 -6.0837 -6.0432 -6.0432 -5.9611 -5.9611 -4.6557 -4.6557 -4.3398 -4.3398 4.2527 4.2527 4.2769 4.2769 4.4280 4.4280 4.6127 4.6127 4.6314 4.6314 4.8678 4.8678 5.7097 5.7097 5.9957 5.9957 6.4353 6.4353 6.6245 6.6245 6.9305 6.9305 7.0750 7.0750 7.1180 7.1180 7.1444 7.1444 8.0009 8.0009 8.2782 8.2782 k = 0.3929 0.4743-0.0000 ( 11844 PWs) bands (ev): -21.8422 -21.8422 -21.7497 -21.7497 -21.6957 -21.6957 -21.6929 -21.6929 -21.6497 -21.6497 -21.6494 -21.6494 -8.9450 -8.9450 -8.7917 -8.7917 -8.5957 -8.5957 -8.5783 -8.5783 -8.4582 -8.4582 -8.1887 -8.1887 -7.2593 -7.2593 -7.2241 -7.2241 -6.8096 -6.8096 -6.6605 -6.6605 -6.6336 -6.6336 -6.4465 -6.4465 -6.4221 -6.4221 -6.3578 -6.3578 -6.1074 -6.1074 -6.0814 -6.0814 -6.0475 -6.0475 -5.9606 -5.9606 -4.6553 -4.6553 -4.3394 -4.3394 4.2570 4.2570 4.2793 4.2793 4.4102 4.4102 4.6137 4.6137 4.6292 4.6292 4.8665 4.8665 5.7589 5.7589 5.9970 5.9970 6.3709 6.3709 6.6222 6.6222 6.9413 6.9413 7.0780 7.0780 7.1100 7.1100 7.1402 7.1402 8.0718 8.0718 8.3109 8.3109 k = 0.3810 0.4949-0.0000 ( 11842 PWs) bands (ev): -21.8421 -21.8421 -21.7496 -21.7496 -21.6955 -21.6955 -21.6933 -21.6933 -21.6497 -21.6497 -21.6494 -21.6494 -8.9447 -8.9447 -8.7916 -8.7916 -8.5956 -8.5956 -8.5783 -8.5783 -8.4579 -8.4579 -8.1894 -8.1894 -7.2597 -7.2597 -7.2239 -7.2239 -6.8097 -6.8097 -6.6588 -6.6588 -6.6354 -6.6354 -6.4454 -6.4454 -6.4217 -6.4217 -6.3587 -6.3587 -6.1069 -6.1069 -6.0790 -6.0790 -6.0517 -6.0517 -5.9603 -5.9603 -4.6550 -4.6550 -4.3391 -4.3391 4.2612 4.2612 4.2819 4.2819 4.3936 4.3936 4.6148 4.6148 4.6271 4.6271 4.8653 4.8653 5.8106 5.8106 5.9995 5.9995 6.3051 6.3051 6.6207 6.6207 6.9528 6.9528 7.0697 7.0697 7.1109 7.1109 7.1377 7.1377 8.1405 8.1405 8.3444 8.3444 k = 0.3690 0.5155-0.0000 ( 11849 PWs) bands (ev): -21.8420 -21.8420 -21.7496 -21.7496 -21.6953 -21.6953 -21.6936 -21.6936 -21.6497 -21.6497 -21.6494 -21.6494 -8.9444 -8.9444 -8.7916 -8.7916 -8.5955 -8.5955 -8.5783 -8.5783 -8.4577 -8.4577 -8.1900 -8.1900 -7.2601 -7.2601 -7.2236 -7.2236 -6.8098 -6.8098 -6.6573 -6.6573 -6.6370 -6.6370 -6.4443 -6.4443 -6.4213 -6.4213 -6.3595 -6.3595 -6.1064 -6.1064 -6.0764 -6.0764 -6.0559 -6.0559 -5.9601 -5.9601 -4.6547 -4.6547 -4.3388 -4.3388 4.2652 4.2652 4.2846 4.2846 4.3789 4.3789 4.6159 4.6159 4.6250 4.6250 4.8642 4.8642 5.8640 5.8640 6.0034 6.0034 6.2385 6.2385 6.6198 6.6198 6.9649 6.9649 7.0552 7.0552 7.1164 7.1164 7.1358 7.1358 8.2052 8.2052 8.3779 8.3779 k = 0.3571 0.5361-0.0000 ( 11855 PWs) bands (ev): -21.8419 -21.8419 -21.7495 -21.7495 -21.6951 -21.6951 -21.6940 -21.6940 -21.6496 -21.6496 -21.6495 -21.6495 -8.9442 -8.9442 -8.7916 -8.7916 -8.5955 -8.5955 -8.5783 -8.5783 -8.4574 -8.4574 -8.1904 -8.1904 -7.2605 -7.2605 -7.2234 -7.2234 -6.8099 -6.8099 -6.6560 -6.6560 -6.6383 -6.6383 -6.4435 -6.4435 -6.4210 -6.4210 -6.3601 -6.3601 -6.1060 -6.1060 -6.0735 -6.0735 -6.0599 -6.0599 -5.9599 -5.9599 -4.6545 -4.6545 -4.3386 -4.3386 4.2688 4.2688 4.2866 4.2866 4.3672 4.3672 4.6172 4.6172 4.6232 4.6232 4.8635 4.8635 5.9182 5.9182 6.0093 6.0093 6.1717 6.1717 6.6195 6.6195 6.9774 6.9774 7.0397 7.0397 7.1214 7.1214 7.1346 7.1346 8.2636 8.2636 8.4092 8.4092 k = 0.3452 0.5567-0.0000 ( 11855 PWs) bands (ev): -21.8419 -21.8419 -21.7495 -21.7495 -21.6948 -21.6948 -21.6943 -21.6943 -21.6496 -21.6496 -21.6495 -21.6495 -8.9441 -8.9441 -8.7915 -8.7915 -8.5954 -8.5954 -8.5783 -8.5783 -8.4573 -8.4573 -8.1907 -8.1907 -7.2607 -7.2607 -7.2233 -7.2233 -6.8099 -6.8099 -6.6552 -6.6552 -6.6392 -6.6392 -6.4430 -6.4430 -6.4209 -6.4209 -6.3604 -6.3604 -6.1058 -6.1058 -6.0706 -6.0706 -6.0636 -6.0636 -5.9598 -5.9598 -4.6543 -4.6543 -4.3384 -4.3384 4.2718 4.2718 4.2874 4.2874 4.3598 4.3598 4.6185 4.6185 4.6214 4.6214 4.8630 4.8630 5.9707 5.9707 6.0189 6.0189 6.1054 6.1054 6.6195 6.6195 6.9894 6.9894 7.0254 7.0254 7.1244 7.1244 7.1342 7.1342 8.3111 8.3111 8.4235 8.4235 k = 0.3333 0.5774-0.0000 ( 11853 PWs) bands (ev): -21.8418 -21.8418 -21.7495 -21.7495 -21.6946 -21.6946 -21.6945 -21.6945 -21.6496 -21.6496 -21.6495 -21.6495 -8.9440 -8.9440 -8.7915 -8.7915 -8.5954 -8.5954 -8.5783 -8.5783 -8.4572 -8.4572 -8.1908 -8.1908 -7.2607 -7.2607 -7.2233 -7.2233 -6.8100 -6.8100 -6.6549 -6.6549 -6.6395 -6.6395 -6.4428 -6.4428 -6.4208 -6.4208 -6.3606 -6.3606 -6.1057 -6.1057 -6.0684 -6.0684 -6.0661 -6.0661 -5.9598 -5.9598 -4.6543 -4.6543 -4.3384 -4.3384 4.2731 4.2731 4.2872 4.2872 4.3573 4.3573 4.6198 4.6198 4.6200 4.6200 4.8628 4.8628 6.0014 6.0014 6.0454 6.0454 6.0469 6.0469 6.6197 6.6197 6.9963 6.9963 7.0177 7.0177 7.1252 7.1252 7.1343 7.1343 8.3330 8.3330 8.4140 8.4140 k = 0.3333 0.5774-0.0000 ( 11853 PWs) bands (ev): -21.8418 -21.8418 -21.7495 -21.7495 -21.6946 -21.6946 -21.6945 -21.6945 -21.6496 -21.6496 -21.6495 -21.6495 -8.9440 -8.9440 -8.7915 -8.7915 -8.5954 -8.5954 -8.5783 -8.5783 -8.4572 -8.4572 -8.1908 -8.1908 -7.2607 -7.2607 -7.2233 -7.2233 -6.8100 -6.8100 -6.6549 -6.6549 -6.6395 -6.6395 -6.4428 -6.4428 -6.4208 -6.4208 -6.3606 -6.3606 -6.1057 -6.1057 -6.0684 -6.0684 -6.0661 -6.0661 -5.9598 -5.9598 -4.6543 -4.6543 -4.3384 -4.3384 4.2731 4.2731 4.2872 4.2872 4.3573 4.3573 4.6198 4.6198 4.6200 4.6200 4.8628 4.8628 6.0014 6.0014 6.0454 6.0454 6.0469 6.0469 6.6197 6.6197 6.9963 6.9963 7.0177 7.0177 7.1252 7.1252 7.1343 7.1343 8.3330 8.3330 8.4140 8.4140 k = 0.3214 0.5567-0.0000 ( 11865 PWs) bands (ev): -21.8419 -21.8419 -21.7495 -21.7495 -21.6948 -21.6948 -21.6943 -21.6943 -21.6496 -21.6496 -21.6495 -21.6495 -8.9441 -8.9441 -8.7915 -8.7915 -8.5954 -8.5954 -8.5783 -8.5783 -8.4573 -8.4573 -8.1907 -8.1907 -7.2607 -7.2607 -7.2233 -7.2233 -6.8099 -6.8099 -6.6552 -6.6552 -6.6392 -6.6392 -6.4430 -6.4430 -6.4209 -6.4209 -6.3604 -6.3604 -6.1058 -6.1058 -6.0705 -6.0705 -6.0637 -6.0637 -5.9598 -5.9598 -4.6543 -4.6543 -4.3384 -4.3384 4.2714 4.2714 4.2881 4.2881 4.3595 4.3595 4.6186 4.6186 4.6214 4.6214 4.8630 4.8630 5.9608 5.9608 6.0365 6.0365 6.0978 6.0978 6.6194 6.6194 6.9898 6.9898 7.0251 7.0251 7.1248 7.1248 7.1340 7.1340 8.3134 8.3134 8.4237 8.4237 k = 0.3095 0.5361-0.0000 ( 11857 PWs) bands (ev): -21.8419 -21.8419 -21.7495 -21.7495 -21.6950 -21.6950 -21.6940 -21.6940 -21.6496 -21.6496 -21.6495 -21.6495 -8.9442 -8.9442 -8.7916 -8.7916 -8.5955 -8.5955 -8.5783 -8.5783 -8.4575 -8.4575 -8.1903 -8.1903 -7.2604 -7.2604 -7.2235 -7.2235 -6.8099 -6.8099 -6.6558 -6.6558 -6.6385 -6.6385 -6.4436 -6.4436 -6.4211 -6.4211 -6.3601 -6.3601 -6.1061 -6.1061 -6.0729 -6.0729 -6.0603 -6.0603 -5.9598 -5.9598 -4.6545 -4.6545 -4.3386 -4.3386 4.2668 4.2668 4.2909 4.2909 4.3651 4.3651 4.6175 4.6175 4.6229 4.6229 4.8635 4.8635 5.8961 5.8961 6.0490 6.0490 6.1543 6.1543 6.6181 6.6181 6.9794 6.9794 7.0382 7.0382 7.1241 7.1241 7.1330 7.1330 8.2754 8.2754 8.4096 8.4096 k = 0.2976 0.5155-0.0000 ( 11859 PWs) bands (ev): -21.8420 -21.8420 -21.7496 -21.7496 -21.6952 -21.6952 -21.6937 -21.6937 -21.6497 -21.6497 -21.6494 -21.6494 -8.9445 -8.9445 -8.7916 -8.7916 -8.5955 -8.5955 -8.5784 -8.5784 -8.4578 -8.4578 -8.1897 -8.1897 -7.2600 -7.2600 -7.2238 -7.2238 -6.8097 -6.8097 -6.6567 -6.6567 -6.6377 -6.6377 -6.4447 -6.4447 -6.4214 -6.4214 -6.3595 -6.3595 -6.1066 -6.1066 -6.0749 -6.0749 -6.0566 -6.0566 -5.9598 -5.9598 -4.6548 -4.6548 -4.3390 -4.3390 4.2613 4.2613 4.2949 4.2949 4.3731 4.3731 4.6167 4.6167 4.6245 4.6245 4.8645 4.8645 5.8297 5.8297 6.0651 6.0651 6.2118 6.2118 6.6150 6.6150 6.9698 6.9698 7.0524 7.0524 7.1238 7.1238 7.1317 7.1317 8.2329 8.2329 8.3732 8.3732 k = 0.2857 0.4949-0.0000 ( 11843 PWs) bands (ev): -21.8422 -21.8422 -21.7496 -21.7496 -21.6953 -21.6953 -21.6934 -21.6934 -21.6497 -21.6497 -21.6494 -21.6494 -8.9450 -8.9450 -8.7917 -8.7917 -8.5956 -8.5956 -8.5784 -8.5784 -8.4583 -8.4583 -8.1888 -8.1888 -7.2593 -7.2593 -7.2242 -7.2242 -6.8095 -6.8095 -6.6577 -6.6577 -6.6368 -6.6368 -6.4462 -6.4462 -6.4219 -6.4219 -6.3587 -6.3587 -6.1073 -6.1073 -6.0762 -6.0762 -6.0529 -6.0529 -5.9598 -5.9598 -4.6553 -4.6553 -4.3395 -4.3395 4.2562 4.2562 4.2995 4.2995 4.3826 4.3826 4.6162 4.6162 4.6261 4.6261 4.8658 4.8658 5.7634 5.7634 6.0840 6.0840 6.2694 6.2694 6.6095 6.6095 6.9618 6.9618 7.0669 7.0669 7.1242 7.1242 7.1307 7.1307 8.1896 8.1896 8.3332 8.3332 k = 0.2738 0.4743-0.0000 ( 11843 PWs) bands (ev): -21.8424 -21.8424 -21.7497 -21.7497 -21.6953 -21.6953 -21.6931 -21.6931 -21.6497 -21.6497 -21.6494 -21.6494 -8.9455 -8.9455 -8.7918 -8.7918 -8.5956 -8.5956 -8.5785 -8.5785 -8.4589 -8.4589 -8.1876 -8.1876 -7.2585 -7.2585 -7.2248 -7.2248 -6.8091 -6.8091 -6.6587 -6.6587 -6.6359 -6.6359 -6.4481 -6.4481 -6.4226 -6.4226 -6.3578 -6.3578 -6.1083 -6.1083 -6.0769 -6.0769 -6.0489 -6.0489 -5.9597 -5.9597 -4.6559 -4.6559 -4.3401 -4.3401 4.2520 4.2520 4.3045 4.3045 4.3931 4.3931 4.6160 4.6160 4.6278 4.6278 4.8676 4.8676 5.6976 5.6976 6.1059 6.1059 6.3268 6.3268 6.6009 6.6009 6.9559 6.9559 7.0809 7.0809 7.1257 7.1257 7.1311 7.1311 8.1464 8.1464 8.2917 8.2917 k = 0.2619 0.4536-0.0000 ( 11833 PWs) bands (ev): -21.8426 -21.8426 -21.7498 -21.7498 -21.6953 -21.6953 -21.6928 -21.6928 -21.6497 -21.6497 -21.6493 -21.6493 -8.9462 -8.9462 -8.7919 -8.7919 -8.5957 -8.5957 -8.5786 -8.5786 -8.4597 -8.4597 -8.1862 -8.1862 -7.2574 -7.2574 -7.2255 -7.2255 -6.8087 -6.8087 -6.6595 -6.6595 -6.6353 -6.6353 -6.4504 -6.4504 -6.4234 -6.4234 -6.3568 -6.3568 -6.1095 -6.1095 -6.0768 -6.0768 -6.0448 -6.0448 -5.9595 -5.9595 -4.6567 -4.6567 -4.3410 -4.3410 4.2491 4.2491 4.3099 4.3099 4.4043 4.4043 4.6162 4.6162 4.6295 4.6295 4.8697 4.8697 5.6325 5.6325 6.1307 6.1307 6.3840 6.3840 6.5887 6.5887 6.9520 6.9520 7.0936 7.0936 7.1285 7.1285 7.1345 7.1345 8.1040 8.1040 8.2493 8.2493 k = 0.2500 0.4330-0.0000 ( 11833 PWs) bands (ev): -21.8429 -21.8429 -21.7500 -21.7500 -21.6952 -21.6952 -21.6925 -21.6925 -21.6497 -21.6497 -21.6493 -21.6493 -8.9470 -8.9470 -8.7920 -8.7920 -8.5957 -8.5957 -8.5787 -8.5787 -8.4606 -8.4606 -8.1844 -8.1844 -7.2562 -7.2562 -7.2264 -7.2264 -6.8082 -6.8082 -6.6602 -6.6602 -6.6348 -6.6348 -6.4530 -6.4530 -6.4244 -6.4244 -6.3559 -6.3559 -6.1110 -6.1110 -6.0761 -6.0761 -6.0406 -6.0406 -5.9592 -5.9592 -4.6577 -4.6577 -4.3420 -4.3420 4.2475 4.2475 4.3156 4.3156 4.4159 4.4159 4.6168 4.6168 4.6313 4.6313 4.8723 4.8723 5.5682 5.5682 6.1584 6.1584 6.4407 6.4407 6.5729 6.5729 6.9505 6.9505 7.1030 7.1030 7.1342 7.1342 7.1416 7.1416 8.0628 8.0628 8.2063 8.2063 k = 0.2381 0.4124-0.0000 ( 11857 PWs) bands (ev): -21.8433 -21.8433 -21.7501 -21.7501 -21.6950 -21.6950 -21.6922 -21.6922 -21.6497 -21.6497 -21.6492 -21.6492 -8.9480 -8.9480 -8.7922 -8.7922 -8.5958 -8.5958 -8.5789 -8.5789 -8.4617 -8.4617 -8.1824 -8.1824 -7.2547 -7.2547 -7.2274 -7.2274 -6.8075 -6.8075 -6.6608 -6.6608 -6.6345 -6.6345 -6.4558 -6.4558 -6.4256 -6.4256 -6.3550 -6.3550 -6.1126 -6.1126 -6.0746 -6.0746 -6.0362 -6.0362 -5.9588 -5.9588 -4.6588 -4.6588 -4.3432 -4.3432 4.2474 4.2474 4.3214 4.3214 4.4277 4.4277 4.6177 4.6177 4.6330 4.6330 4.8752 4.8752 5.5050 5.5050 6.1891 6.1891 6.4967 6.4967 6.5542 6.5542 6.9513 6.9513 7.1078 7.1078 7.1443 7.1443 7.1521 7.1521 8.0230 8.0230 8.1630 8.1630 k = 0.2262 0.3918-0.0000 ( 11843 PWs) bands (ev): -21.8436 -21.8436 -21.7503 -21.7503 -21.6948 -21.6948 -21.6919 -21.6919 -21.6496 -21.6496 -21.6492 -21.6492 -8.9490 -8.9490 -8.7924 -8.7924 -8.5958 -8.5958 -8.5791 -8.5791 -8.4629 -8.4629 -8.1802 -8.1802 -7.2531 -7.2531 -7.2285 -7.2285 -6.8068 -6.8068 -6.6613 -6.6613 -6.6344 -6.6344 -6.4589 -6.4589 -6.4270 -6.4270 -6.3543 -6.3543 -6.1145 -6.1145 -6.0725 -6.0725 -6.0317 -6.0317 -5.9583 -5.9583 -4.6600 -4.6600 -4.3445 -4.3445 4.2489 4.2489 4.3273 4.3273 4.4397 4.4397 4.6190 4.6190 4.6348 4.6348 4.8784 4.8784 5.4429 5.4429 6.2228 6.2228 6.5285 6.5285 6.5566 6.5566 6.9545 6.9545 7.1095 7.1095 7.1572 7.1572 7.1656 7.1656 7.9848 7.9848 8.1197 8.1197 k = 0.2143 0.3712-0.0000 ( 11861 PWs) bands (ev): -21.8441 -21.8441 -21.7505 -21.7505 -21.6946 -21.6946 -21.6916 -21.6916 -21.6496 -21.6496 -21.6492 -21.6492 -8.9502 -8.9502 -8.7926 -8.7926 -8.5958 -8.5958 -8.5793 -8.5793 -8.4642 -8.4642 -8.1777 -8.1777 -7.2514 -7.2514 -7.2298 -7.2298 -6.8059 -6.8059 -6.6616 -6.6616 -6.6345 -6.6345 -6.4620 -6.4620 -6.4286 -6.4286 -6.3536 -6.3536 -6.1166 -6.1166 -6.0697 -6.0697 -6.0270 -6.0270 -5.9577 -5.9577 -4.6614 -4.6614 -4.3461 -4.3461 4.2517 4.2517 4.3332 4.3332 4.4516 4.4516 4.6206 4.6206 4.6366 4.6366 4.8820 4.8820 5.3821 5.3821 6.2593 6.2593 6.5062 6.5062 6.6111 6.6111 6.9601 6.9601 7.1099 7.1099 7.1713 7.1713 7.1811 7.1811 7.9484 7.9484 8.0766 8.0766 k = 0.2024 0.3505-0.0000 ( 11853 PWs) bands (ev): -21.8445 -21.8445 -21.7507 -21.7507 -21.6942 -21.6942 -21.6913 -21.6913 -21.6495 -21.6495 -21.6491 -21.6491 -8.9514 -8.9514 -8.7928 -8.7928 -8.5958 -8.5958 -8.5795 -8.5795 -8.4657 -8.4657 -8.1751 -8.1751 -7.2494 -7.2494 -7.2312 -7.2312 -6.8049 -6.8049 -6.6618 -6.6618 -6.6347 -6.6347 -6.4654 -6.4654 -6.4304 -6.4304 -6.3531 -6.3531 -6.1188 -6.1188 -6.0665 -6.0665 -6.0221 -6.0221 -5.9569 -5.9569 -4.6629 -4.6629 -4.3478 -4.3478 4.2561 4.2561 4.3390 4.3390 4.4633 4.4633 4.6226 4.6226 4.6384 4.6384 4.8859 4.8859 5.3227 5.3227 6.2987 6.2987 6.4814 6.4814 6.6672 6.6672 6.9681 6.9681 7.1099 7.1099 7.1860 7.1860 7.1974 7.1974 7.9138 7.9138 8.0340 8.0340 k = 0.1905 0.3299-0.0000 ( 11845 PWs) bands (ev): -21.8450 -21.8450 -21.7509 -21.7509 -21.6939 -21.6939 -21.6910 -21.6910 -21.6495 -21.6495 -21.6491 -21.6491 -8.9527 -8.9527 -8.7931 -8.7931 -8.5957 -8.5957 -8.5798 -8.5798 -8.4672 -8.4672 -8.1724 -8.1724 -7.2474 -7.2474 -7.2327 -7.2327 -6.8039 -6.8039 -6.6619 -6.6619 -6.6350 -6.6350 -6.4687 -6.4687 -6.4324 -6.4324 -6.3527 -6.3527 -6.1211 -6.1211 -6.0628 -6.0628 -6.0171 -6.0171 -5.9560 -5.9560 -4.6645 -4.6645 -4.3496 -4.3496 4.2619 4.2619 4.3445 4.3445 4.4748 4.4748 4.6249 4.6249 4.6402 4.6402 4.8900 4.8900 5.2648 5.2648 6.3407 6.3407 6.4565 6.4565 6.7237 6.7237 6.9785 6.9785 7.1098 7.1098 7.2011 7.2011 7.2135 7.2135 7.8812 7.8812 7.9920 7.9920 k = 0.1786 0.3093-0.0000 ( 11847 PWs) bands (ev): -21.8455 -21.8455 -21.7511 -21.7511 -21.6935 -21.6935 -21.6907 -21.6907 -21.6494 -21.6494 -21.6491 -21.6491 -8.9541 -8.9541 -8.7933 -8.7933 -8.5957 -8.5957 -8.5800 -8.5800 -8.4688 -8.4688 -8.1695 -8.1695 -7.2454 -7.2454 -7.2343 -7.2343 -6.8028 -6.8028 -6.6620 -6.6620 -6.6354 -6.6354 -6.4721 -6.4721 -6.4345 -6.4345 -6.3524 -6.3524 -6.1236 -6.1236 -6.0588 -6.0588 -6.0120 -6.0120 -5.9550 -5.9550 -4.6662 -4.6662 -4.3516 -4.3516 4.2690 4.2690 4.3497 4.3497 4.4858 4.4858 4.6274 4.6274 4.6419 4.6419 4.8944 4.8944 5.2084 5.2084 6.3849 6.3849 6.4326 6.4326 6.7805 6.7805 6.9913 6.9913 7.1098 7.1098 7.2163 7.2163 7.2283 7.2283 7.8506 7.8506 7.9510 7.9510 k = 0.1667 0.2887-0.0000 ( 11847 PWs) bands (ev): -21.8461 -21.8461 -21.7514 -21.7514 -21.6930 -21.6930 -21.6904 -21.6904 -21.6494 -21.6494 -21.6490 -21.6490 -8.9555 -8.9555 -8.7936 -8.7936 -8.5956 -8.5956 -8.5803 -8.5803 -8.4704 -8.4704 -8.1666 -8.1666 -7.2434 -7.2434 -7.2357 -7.2357 -6.8016 -6.8016 -6.6622 -6.6622 -6.6357 -6.6357 -6.4755 -6.4755 -6.4367 -6.4367 -6.3523 -6.3523 -6.1262 -6.1262 -6.0547 -6.0547 -6.0067 -6.0067 -5.9539 -5.9539 -4.6679 -4.6679 -4.3537 -4.3537 4.2775 4.2775 4.3544 4.3544 4.4964 4.4964 4.6301 4.6301 4.6437 4.6437 4.8989 4.8989 5.1538 5.1538 6.4092 6.4092 6.4325 6.4325 6.8376 6.8376 7.0063 7.0063 7.1102 7.1102 7.2313 7.2313 7.2410 7.2410 7.8222 7.8222 7.9111 7.9111 k = 0.1548 0.2681-0.0000 ( 11843 PWs) bands (ev): -21.8466 -21.8466 -21.7516 -21.7516 -21.6926 -21.6926 -21.6901 -21.6901 -21.6493 -21.6493 -21.6490 -21.6490 -8.9569 -8.9569 -8.7939 -8.7939 -8.5955 -8.5955 -8.5806 -8.5806 -8.4720 -8.4720 -8.1636 -8.1636 -7.2417 -7.2417 -7.2368 -7.2368 -6.8003 -6.8003 -6.6624 -6.6624 -6.6359 -6.6359 -6.4789 -6.4789 -6.4391 -6.4391 -6.3523 -6.3523 -6.1288 -6.1288 -6.0504 -6.0504 -6.0013 -6.0013 -5.9527 -5.9527 -4.6697 -4.6697 -4.3558 -4.3558 4.2874 4.2874 4.3586 4.3586 4.5064 4.5064 4.6330 4.6330 4.6455 4.6455 4.9035 4.9035 5.1009 5.1009 6.3897 6.3897 6.4805 6.4805 6.8946 6.8946 7.0235 7.0235 7.1114 7.1114 7.2458 7.2458 7.2514 7.2514 7.7959 7.7959 7.8726 7.8726 k = 0.1429 0.2474-0.0000 ( 11837 PWs) bands (ev): -21.8471 -21.8471 -21.7518 -21.7518 -21.6921 -21.6921 -21.6899 -21.6899 -21.6493 -21.6493 -21.6490 -21.6490 -8.9583 -8.9583 -8.7942 -8.7942 -8.5954 -8.5954 -8.5810 -8.5810 -8.4737 -8.4737 -8.1607 -8.1607 -7.2414 -7.2414 -7.2366 -7.2366 -6.7990 -6.7990 -6.6628 -6.6628 -6.6360 -6.6360 -6.4822 -6.4822 -6.4415 -6.4415 -6.3524 -6.3524 -6.1315 -6.1315 -6.0462 -6.0462 -5.9959 -5.9959 -5.9514 -5.9514 -4.6715 -4.6715 -4.3580 -4.3580 4.2985 4.2985 4.3623 4.3623 4.5158 4.5158 4.6359 4.6359 4.6473 4.6473 4.9081 4.9081 5.0499 5.0499 6.3725 6.3725 6.5304 6.5304 6.9506 6.9506 7.0427 7.0427 7.1142 7.1142 7.2568 7.2568 7.2620 7.2620 7.7720 7.7720 7.8359 7.8359 k = 0.1310 0.2268-0.0000 ( 11837 PWs) bands (ev): -21.8477 -21.8477 -21.7521 -21.7521 -21.6916 -21.6916 -21.6897 -21.6897 -21.6492 -21.6492 -21.6489 -21.6489 -8.9597 -8.9597 -8.7944 -8.7944 -8.5952 -8.5952 -8.5813 -8.5813 -8.4753 -8.4753 -8.1578 -8.1578 -7.2424 -7.2424 -7.2351 -7.2351 -6.7977 -6.7977 -6.6633 -6.6633 -6.6358 -6.6358 -6.4854 -6.4854 -6.4439 -6.4439 -6.3526 -6.3526 -6.1341 -6.1341 -6.0420 -6.0420 -5.9904 -5.9904 -5.9500 -5.9500 -4.6733 -4.6733 -4.3603 -4.3603 4.3108 4.3108 4.3655 4.3655 4.5244 4.5244 4.6389 4.6389 4.6490 4.6490 4.9125 4.9125 5.0009 5.0009 6.3586 6.3586 6.5813 6.5813 7.0024 7.0024 7.0647 7.0647 7.1202 7.1202 7.2621 7.2621 7.2753 7.2753 7.7505 7.7505 7.8011 7.8011 k = 0.1190 0.2062-0.0000 ( 11825 PWs) bands (ev): -21.8482 -21.8482 -21.7523 -21.7523 -21.6911 -21.6911 -21.6894 -21.6894 -21.6491 -21.6491 -21.6489 -21.6489 -8.9610 -8.9610 -8.7947 -8.7947 -8.5951 -8.5951 -8.5816 -8.5816 -8.4769 -8.4769 -8.1550 -8.1550 -7.2439 -7.2439 -7.2331 -7.2331 -6.7964 -6.7964 -6.6640 -6.6640 -6.6355 -6.6355 -6.4885 -6.4885 -6.4462 -6.4462 -6.3528 -6.3528 -6.1367 -6.1367 -6.0381 -6.0381 -5.9850 -5.9850 -5.9487 -5.9487 -4.6750 -4.6750 -4.3625 -4.3625 4.3241 4.3241 4.3683 4.3683 4.5323 4.5323 4.6417 4.6417 4.6508 4.6508 4.9160 4.9160 4.9548 4.9548 6.3479 6.3479 6.6326 6.6326 7.0402 7.0402 7.0949 7.0949 7.1325 7.1325 7.2658 7.2658 7.2884 7.2884 7.7313 7.7313 7.7686 7.7686 k = 0.1071 0.1856-0.0000 ( 11831 PWs) bands (ev): -21.8487 -21.8487 -21.7525 -21.7525 -21.6907 -21.6907 -21.6892 -21.6892 -21.6491 -21.6491 -21.6489 -21.6489 -8.9623 -8.9623 -8.7950 -8.7950 -8.5949 -8.5949 -8.5818 -8.5818 -8.4784 -8.4784 -8.1524 -8.1524 -7.2454 -7.2454 -7.2311 -7.2311 -6.7952 -6.7952 -6.6648 -6.6648 -6.6349 -6.6349 -6.4914 -6.4914 -6.4485 -6.4485 -6.3531 -6.3531 -6.1392 -6.1392 -6.0345 -6.0345 -5.9798 -5.9798 -5.9473 -5.9473 -4.6767 -4.6767 -4.3646 -4.3646 4.3381 4.3381 4.3710 4.3710 4.5393 4.5393 4.6443 4.6443 4.6526 4.6526 4.9029 4.9029 4.9270 4.9270 6.3406 6.3406 6.6837 6.6837 7.0568 7.0568 7.1341 7.1341 7.1537 7.1537 7.2724 7.2724 7.3009 7.3009 7.7142 7.7142 7.7390 7.7390 k = 0.0952 0.1650-0.0000 ( 11845 PWs) bands (ev): -21.8491 -21.8491 -21.7527 -21.7527 -21.6902 -21.6902 -21.6890 -21.6890 -21.6490 -21.6490 -21.6489 -21.6489 -8.9635 -8.9635 -8.7953 -8.7953 -8.5947 -8.5947 -8.5821 -8.5821 -8.4798 -8.4798 -8.1499 -8.1499 -7.2469 -7.2469 -7.2292 -7.2292 -6.7940 -6.7940 -6.6658 -6.6658 -6.6343 -6.6343 -6.4941 -6.4941 -6.4507 -6.4507 -6.3534 -6.3534 -6.1415 -6.1415 -6.0312 -6.0312 -5.9747 -5.9747 -5.9460 -5.9460 -4.6783 -4.6783 -4.3666 -4.3666 4.3515 4.3515 4.3751 4.3751 4.5454 4.5454 4.6466 4.6466 4.6544 4.6544 4.8624 4.8624 4.9285 4.9285 6.3365 6.3365 6.7339 6.7339 7.0612 7.0612 7.1690 7.1690 7.1792 7.1792 7.2908 7.2908 7.3123 7.3123 7.6979 7.6979 7.7139 7.7139 k = 0.0833 0.1443-0.0000 ( 11855 PWs) bands (ev): -21.8495 -21.8495 -21.7529 -21.7529 -21.6898 -21.6898 -21.6889 -21.6889 -21.6490 -21.6490 -21.6489 -21.6489 -8.9646 -8.9646 -8.7955 -8.7955 -8.5945 -8.5945 -8.5824 -8.5824 -8.4811 -8.4811 -8.1477 -8.1477 -7.2483 -7.2483 -7.2274 -7.2274 -6.7929 -6.7929 -6.6667 -6.6667 -6.6335 -6.6335 -6.4965 -6.4965 -6.4527 -6.4527 -6.3537 -6.3537 -6.1437 -6.1437 -6.0282 -6.0282 -5.9700 -5.9700 -5.9447 -5.9447 -4.6798 -4.6798 -4.3686 -4.3686 4.3609 4.3609 4.3839 4.3839 4.5505 4.5505 4.6486 4.6486 4.6562 4.6562 4.8217 4.8217 4.9321 4.9321 6.3353 6.3353 6.7822 6.7822 7.0599 7.0599 7.1923 7.1923 7.2018 7.2018 7.3222 7.3222 7.3301 7.3301 7.6791 7.6791 7.6968 7.6968 k = 0.0714 0.1237-0.0000 ( 11869 PWs) bands (ev): -21.8499 -21.8499 -21.7531 -21.7531 -21.6894 -21.6894 -21.6887 -21.6887 -21.6489 -21.6489 -21.6488 -21.6488 -8.9656 -8.9656 -8.7957 -8.7957 -8.5944 -8.5944 -8.5826 -8.5826 -8.4822 -8.4822 -8.1457 -8.1457 -7.2496 -7.2496 -7.2258 -7.2258 -6.7919 -6.7919 -6.6677 -6.6677 -6.6327 -6.6327 -6.4988 -6.4988 -6.4545 -6.4545 -6.3540 -6.3540 -6.1457 -6.1457 -6.0256 -6.0256 -5.9656 -5.9656 -5.9435 -5.9435 -4.6811 -4.6811 -4.3703 -4.3703 4.3647 4.3647 4.3991 4.3991 4.5545 4.5545 4.6502 4.6502 4.6578 4.6578 4.7831 4.7831 4.9357 4.9357 6.3364 6.3364 6.8279 6.8279 7.0554 7.0554 7.1933 7.1933 7.2361 7.2361 7.3316 7.3316 7.3829 7.3829 7.6590 7.6590 7.6869 7.6869 k = 0.0595 0.1031-0.0000 ( 11855 PWs) bands (ev): -21.8503 -21.8503 -21.7533 -21.7533 -21.6891 -21.6891 -21.6886 -21.6886 -21.6489 -21.6489 -21.6488 -21.6488 -8.9665 -8.9665 -8.7959 -8.7959 -8.5942 -8.5942 -8.5828 -8.5828 -8.4832 -8.4832 -8.1439 -8.1439 -7.2507 -7.2507 -7.2243 -7.2243 -6.7910 -6.7910 -6.6685 -6.6685 -6.6319 -6.6319 -6.5007 -6.5007 -6.4561 -6.4561 -6.3543 -6.3543 -6.1474 -6.1474 -6.0234 -6.0234 -5.9618 -5.9618 -5.9425 -5.9425 -4.6822 -4.6822 -4.3718 -4.3718 4.3660 4.3660 4.4177 4.4177 4.5572 4.5572 4.6515 4.6515 4.6591 4.6591 4.7473 4.7473 4.9389 4.9389 6.3393 6.3393 6.8699 6.8699 7.0488 7.0488 7.1887 7.1887 7.2725 7.2725 7.3395 7.3395 7.4421 7.4421 7.6407 7.6407 7.6808 7.6808 k = 0.0476 0.0825-0.0000 ( 11841 PWs) bands (ev): -21.8505 -21.8505 -21.7534 -21.7534 -21.6888 -21.6888 -21.6885 -21.6885 -21.6489 -21.6489 -21.6488 -21.6488 -8.9672 -8.9672 -8.7961 -8.7961 -8.5941 -8.5941 -8.5829 -8.5829 -8.4841 -8.4841 -8.1425 -8.1425 -7.2517 -7.2517 -7.2231 -7.2231 -6.7902 -6.7902 -6.6693 -6.6693 -6.6312 -6.6312 -6.5023 -6.5023 -6.4574 -6.4574 -6.3546 -6.3546 -6.1489 -6.1489 -6.0216 -6.0216 -5.9585 -5.9585 -5.9416 -5.9416 -4.6832 -4.6832 -4.3732 -4.3732 4.3663 4.3663 4.4381 4.4381 4.5583 4.5583 4.6525 4.6525 4.6594 4.6594 4.7154 4.7154 4.9417 4.9417 6.3432 6.3432 6.9072 6.9072 7.0411 7.0411 7.1823 7.1823 7.3105 7.3105 7.3459 7.3459 7.5026 7.5026 7.6254 7.6254 7.6775 7.6775 k = 0.0357 0.0619-0.0000 ( 11851 PWs) bands (ev): -21.8508 -21.8508 -21.7535 -21.7535 -21.6886 -21.6886 -21.6884 -21.6884 -21.6489 -21.6489 -21.6488 -21.6488 -8.9678 -8.9678 -8.7962 -8.7962 -8.5940 -8.5940 -8.5831 -8.5831 -8.4848 -8.4848 -8.1413 -8.1413 -7.2524 -7.2524 -7.2222 -7.2222 -6.7896 -6.7896 -6.6700 -6.6700 -6.6306 -6.6306 -6.5036 -6.5036 -6.4585 -6.4585 -6.3548 -6.3548 -6.1500 -6.1500 -6.0202 -6.0202 -5.9558 -5.9558 -5.9408 -5.9408 -4.6840 -4.6840 -4.3742 -4.3742 4.3663 4.3663 4.4595 4.4595 4.5571 4.5571 4.6532 4.6532 4.6570 4.6570 4.6900 4.6900 4.9439 4.9439 6.3473 6.3473 6.9388 6.9388 7.0329 7.0329 7.1759 7.1759 7.3493 7.3493 7.3508 7.3508 7.5609 7.5609 7.6130 7.6130 7.6765 7.6765 k = 0.0238 0.0412-0.0000 ( 11865 PWs) bands (ev): -21.8509 -21.8509 -21.7536 -21.7536 -21.6885 -21.6885 -21.6883 -21.6883 -21.6488 -21.6488 -21.6488 -21.6488 -8.9682 -8.9682 -8.7963 -8.7963 -8.5939 -8.5939 -8.5832 -8.5832 -8.4853 -8.4853 -8.1405 -8.1405 -7.2530 -7.2530 -7.2215 -7.2215 -6.7892 -6.7892 -6.6704 -6.6704 -6.6301 -6.6301 -6.5045 -6.5045 -6.4593 -6.4593 -6.3549 -6.3549 -6.1509 -6.1509 -6.0192 -6.0192 -5.9539 -5.9539 -5.9403 -5.9403 -4.6846 -4.6846 -4.3750 -4.3750 4.3661 4.3661 4.4812 4.4812 4.5523 4.5523 4.6481 4.6481 4.6537 4.6537 4.6765 4.6765 4.9456 4.9456 6.3509 6.3509 6.9638 6.9638 7.0251 7.0251 7.1705 7.1705 7.3543 7.3543 7.3868 7.3868 7.6033 7.6033 7.6122 7.6122 7.6529 7.6529 k = 0.0119 0.0206-0.0000 ( 11861 PWs) bands (ev): -21.8510 -21.8510 -21.7536 -21.7536 -21.6884 -21.6884 -21.6883 -21.6883 -21.6488 -21.6488 -21.6488 -21.6488 -8.9685 -8.9685 -8.7963 -8.7963 -8.5938 -8.5938 -8.5832 -8.5832 -8.4856 -8.4856 -8.1400 -8.1400 -7.2533 -7.2533 -7.2210 -7.2210 -6.7889 -6.7889 -6.6707 -6.6707 -6.6298 -6.6298 -6.5051 -6.5051 -6.4597 -6.4597 -6.3550 -6.3550 -6.1514 -6.1514 -6.0187 -6.0187 -5.9527 -5.9527 -5.9400 -5.9400 -4.6849 -4.6849 -4.3754 -4.3754 4.3660 4.3660 4.5018 4.5018 4.5430 4.5430 4.6372 4.6372 4.6540 4.6540 4.6728 4.6728 4.9466 4.9466 6.3534 6.3534 6.9811 6.9811 7.0184 7.0184 7.1667 7.1667 7.3564 7.3564 7.4180 7.4180 7.5946 7.5946 7.6195 7.6195 7.6454 7.6454 k = 0.0000 0.0000 0.0000 ( 11837 PWs) bands (ev): -21.8510 -21.8510 -21.7536 -21.7536 -21.6884 -21.6884 -21.6883 -21.6883 -21.6488 -21.6488 -21.6488 -21.6488 -8.9685 -8.9685 -8.7964 -8.7964 -8.5938 -8.5938 -8.5832 -8.5832 -8.4857 -8.4857 -8.1398 -8.1398 -7.2534 -7.2534 -7.2209 -7.2209 -6.7889 -6.7889 -6.6708 -6.6708 -6.6297 -6.6297 -6.5053 -6.5053 -6.4599 -6.4599 -6.3551 -6.3551 -6.1516 -6.1516 -6.0185 -6.0185 -5.9523 -5.9523 -5.9399 -5.9399 -4.6850 -4.6850 -4.3756 -4.3756 4.3659 4.3659 4.5144 4.5144 4.5344 4.5344 4.6329 4.6329 4.6541 4.6541 4.6721 4.6721 4.9469 4.9469 6.3542 6.3542 6.9880 6.9880 7.0150 7.0150 7.1654 7.1654 7.3571 7.3571 7.4316 7.4316 7.5876 7.5876 7.6092 7.6092 7.6545 7.6545 k = 0.0000 0.0000 0.0000 ( 11837 PWs) bands (ev): -21.8510 -21.8510 -21.7536 -21.7536 -21.6884 -21.6884 -21.6883 -21.6883 -21.6488 -21.6488 -21.6488 -21.6488 -8.9685 -8.9685 -8.7964 -8.7964 -8.5938 -8.5938 -8.5832 -8.5832 -8.4857 -8.4857 -8.1398 -8.1398 -7.2534 -7.2534 -7.2209 -7.2209 -6.7889 -6.7889 -6.6708 -6.6708 -6.6297 -6.6297 -6.5053 -6.5053 -6.4599 -6.4599 -6.3551 -6.3551 -6.1516 -6.1516 -6.0185 -6.0185 -5.9523 -5.9523 -5.9399 -5.9399 -4.6850 -4.6850 -4.3756 -4.3756 4.3659 4.3659 4.5144 4.5144 4.5344 4.5344 4.6329 4.6329 4.6541 4.6541 4.6721 4.6721 4.9469 4.9469 6.3542 6.3542 6.9880 6.9880 7.0150 7.0150 7.1654 7.1654 7.3571 7.3571 7.4316 7.4316 7.5876 7.5876 7.6092 7.6092 7.6545 7.6545 k = 0.0000 0.0000 0.0236 ( 11843 PWs) bands (ev): -21.8509 -21.8509 -21.7537 -21.7537 -21.6883 -21.6883 -21.6882 -21.6882 -21.6489 -21.6489 -21.6488 -21.6488 -8.9683 -8.9683 -8.7965 -8.7965 -8.5933 -8.5933 -8.5832 -8.5832 -8.4858 -8.4858 -8.1403 -8.1403 -7.2535 -7.2535 -7.2207 -7.2207 -6.7896 -6.7896 -6.6711 -6.6711 -6.6293 -6.6293 -6.5054 -6.5054 -6.4585 -6.4585 -6.3553 -6.3553 -6.1516 -6.1516 -6.0195 -6.0195 -5.9524 -5.9524 -5.9399 -5.9399 -4.6844 -4.6844 -4.3756 -4.3756 4.3655 4.3655 4.5137 4.5137 4.5327 4.5327 4.6318 4.6318 4.6531 4.6531 4.6711 4.6711 4.9494 4.9494 6.3522 6.3522 6.9887 6.9887 7.0170 7.0170 7.1674 7.1674 7.3608 7.3608 7.4317 7.4317 7.5886 7.5886 7.6104 7.6104 7.6544 7.6544 k = 0.0000 0.0000 0.0471 ( 11831 PWs) bands (ev): -21.8506 -21.8506 -21.7541 -21.7541 -21.6882 -21.6882 -21.6881 -21.6881 -21.6490 -21.6490 -21.6490 -21.6490 -8.9676 -8.9676 -8.7969 -8.7969 -8.5919 -8.5919 -8.5831 -8.5831 -8.4864 -8.4864 -8.1419 -8.1419 -7.2535 -7.2535 -7.2201 -7.2201 -6.7918 -6.7918 -6.6719 -6.6719 -6.6279 -6.6279 -6.5055 -6.5055 -6.4544 -6.4544 -6.3558 -6.3558 -6.1519 -6.1519 -6.0225 -6.0225 -5.9525 -5.9525 -5.9399 -5.9399 -4.6825 -4.6825 -4.3755 -4.3755 4.3641 4.3641 4.5117 4.5117 4.5278 4.5278 4.6287 4.6287 4.6502 4.6502 4.6679 4.6679 4.9568 4.9568 6.3463 6.3463 6.9908 6.9908 7.0229 7.0229 7.1733 7.1733 7.3719 7.3719 7.4321 7.4321 7.5914 7.5914 7.6136 7.6136 7.6542 7.6542 k = 0.0000 0.0000 0.0707 ( 11836 PWs) bands (ev): -21.8500 -21.8500 -21.7547 -21.7547 -21.6880 -21.6880 -21.6878 -21.6878 -21.6492 -21.6492 -21.6492 -21.6492 -8.9665 -8.9665 -8.7975 -8.7975 -8.5895 -8.5895 -8.5828 -8.5828 -8.4873 -8.4873 -8.1445 -8.1445 -7.2535 -7.2535 -7.2192 -7.2192 -6.7953 -6.7953 -6.6733 -6.6733 -6.6257 -6.6257 -6.5054 -6.5054 -6.4480 -6.4480 -6.3568 -6.3568 -6.1523 -6.1523 -6.0274 -6.0274 -5.9527 -5.9527 -5.9399 -5.9399 -4.6793 -4.6793 -4.3754 -4.3754 4.3618 4.3618 4.5085 4.5085 4.5200 4.5200 4.6235 4.6235 4.6454 4.6454 4.6626 4.6626 4.9688 4.9688 6.3366 6.3366 6.9942 6.9942 7.0326 7.0326 7.1831 7.1831 7.3900 7.3900 7.4328 7.4328 7.5960 7.5960 7.6188 7.6188 7.6540 7.6540 k = 0.0000 0.0000 0.0943 ( 11860 PWs) bands (ev): -21.8493 -21.8493 -21.7555 -21.7555 -21.6876 -21.6876 -21.6875 -21.6875 -21.6496 -21.6496 -21.6495 -21.6495 -8.9650 -8.9650 -8.7984 -8.7984 -8.5861 -8.5861 -8.5825 -8.5825 -8.4885 -8.4885 -8.1481 -8.1481 -7.2535 -7.2535 -7.2180 -7.2180 -6.7999 -6.7999 -6.6753 -6.6753 -6.6225 -6.6225 -6.5049 -6.5049 -6.4397 -6.4397 -6.3581 -6.3581 -6.1530 -6.1530 -6.0342 -6.0342 -5.9530 -5.9530 -5.9399 -5.9399 -4.6749 -4.6749 -4.3753 -4.3753 4.3586 4.3586 4.5041 4.5041 4.5097 4.5097 4.6165 4.6165 4.6388 4.6388 4.6555 4.6555 4.9850 4.9850 6.3236 6.3236 6.9990 6.9990 7.0459 7.0459 7.1965 7.1965 7.4146 7.4146 7.4337 7.4337 7.6022 7.6022 7.6253 7.6253 7.6538 7.6538 k = 0.0000 0.0000 0.1178 ( 11866 PWs) bands (ev): -21.8483 -21.8483 -21.7565 -21.7565 -21.6872 -21.6872 -21.6871 -21.6871 -21.6500 -21.6500 -21.6499 -21.6499 -8.9630 -8.9630 -8.7997 -8.7997 -8.5820 -8.5820 -8.5818 -8.5818 -8.4901 -8.4901 -8.1527 -8.1527 -7.2536 -7.2536 -7.2165 -7.2165 -6.8054 -6.8054 -6.6778 -6.6778 -6.6186 -6.6186 -6.5037 -6.5037 -6.4300 -6.4300 -6.3599 -6.3599 -6.1540 -6.1540 -6.0427 -6.0427 -5.9533 -5.9533 -5.9399 -5.9399 -4.6693 -4.6693 -4.3752 -4.3752 4.3547 4.3547 4.4973 4.4973 4.4987 4.4987 4.6077 4.6077 4.6306 4.6306 4.6465 4.6465 5.0052 5.0052 6.3076 6.3076 7.0052 7.0052 7.0627 7.0627 7.2134 7.2134 7.4345 7.4345 7.4451 7.4451 7.6095 7.6095 7.6325 7.6325 7.6539 7.6539 k = 0.0000 0.0000 0.1414 ( 11866 PWs) bands (ev): -21.8471 -21.8471 -21.7577 -21.7577 -21.6867 -21.6867 -21.6866 -21.6866 -21.6505 -21.6505 -21.6504 -21.6504 -8.9606 -8.9606 -8.8012 -8.8012 -8.5815 -8.5815 -8.5765 -8.5765 -8.4920 -8.4920 -8.1584 -8.1584 -7.2535 -7.2535 -7.2148 -7.2148 -6.8114 -6.8114 -6.6808 -6.6808 -6.6138 -6.6138 -6.5018 -6.5018 -6.4191 -6.4191 -6.3620 -6.3620 -6.1553 -6.1553 -6.0528 -6.0528 -5.9536 -5.9536 -5.9400 -5.9400 -4.6626 -4.6626 -4.3754 -4.3754 4.3501 4.3501 4.4834 4.4834 4.4924 4.4924 4.5975 4.5975 4.6209 4.6209 4.6360 4.6360 5.0289 5.0289 6.2890 6.2890 7.0128 7.0128 7.0828 7.0828 7.2335 7.2335 7.4353 7.4353 7.4808 7.4808 7.6177 7.6177 7.6398 7.6398 7.6545 7.6545 k = 0.0000 0.0000 0.1649 ( 11860 PWs) bands (ev): -21.8457 -21.8457 -21.7592 -21.7592 -21.6862 -21.6862 -21.6860 -21.6860 -21.6511 -21.6511 -21.6510 -21.6510 -8.9579 -8.9579 -8.8031 -8.8031 -8.5808 -8.5808 -8.5702 -8.5702 -8.4942 -8.4942 -8.1650 -8.1650 -7.2534 -7.2534 -7.2130 -7.2130 -6.8177 -6.8177 -6.6844 -6.6844 -6.6082 -6.6082 -6.4992 -6.4992 -6.4073 -6.4073 -6.3646 -6.3646 -6.1570 -6.1570 -6.0642 -6.0642 -5.9539 -5.9539 -5.9402 -5.9402 -4.6548 -4.6548 -4.3757 -4.3757 4.3448 4.3448 4.4684 4.4684 4.4854 4.4854 4.5861 4.5861 4.6100 4.6100 4.6241 4.6241 5.0558 5.0558 6.2682 6.2682 7.0217 7.0217 7.1058 7.1058 7.2566 7.2566 7.4357 7.4357 7.5211 7.5211 7.6262 7.6262 7.6466 7.6466 7.6561 7.6561 k = 0.0000 0.0000 0.1885 ( 11872 PWs) bands (ev): -21.8441 -21.8441 -21.7608 -21.7608 -21.6855 -21.6855 -21.6854 -21.6854 -21.6517 -21.6517 -21.6517 -21.6517 -8.9547 -8.9547 -8.8053 -8.8053 -8.5800 -8.5800 -8.5630 -8.5630 -8.4967 -8.4967 -8.1725 -8.1725 -7.2532 -7.2532 -7.2112 -7.2112 -6.8239 -6.8239 -6.6886 -6.6886 -6.6020 -6.6020 -6.4957 -6.4957 -6.3949 -6.3949 -6.3676 -6.3676 -6.1594 -6.1594 -6.0767 -6.0767 -5.9542 -5.9542 -5.9404 -5.9404 -4.6460 -4.6460 -4.3763 -4.3763 4.3391 4.3391 4.4526 4.4526 4.4778 4.4778 4.5737 4.5737 4.5981 4.5981 4.6110 4.6110 5.0856 5.0856 6.2455 6.2455 7.0319 7.0319 7.1315 7.1315 7.2823 7.2823 7.4357 7.4357 7.5652 7.5652 7.6345 7.6345 7.6530 7.6530 7.6590 7.6590 k = 0.0000 0.0000 0.2121 ( 11848 PWs) bands (ev): -21.8423 -21.8423 -21.7627 -21.7627 -21.6848 -21.6848 -21.6847 -21.6847 -21.6525 -21.6525 -21.6524 -21.6524 -8.9511 -8.9511 -8.8079 -8.8079 -8.5790 -8.5790 -8.5548 -8.5548 -8.4994 -8.4994 -8.1810 -8.1810 -7.2529 -7.2529 -7.2094 -7.2094 -6.8299 -6.8299 -6.6933 -6.6933 -6.5950 -6.5950 -6.4915 -6.4915 -6.3820 -6.3820 -6.3709 -6.3709 -6.1626 -6.1626 -6.0899 -6.0899 -5.9545 -5.9545 -5.9407 -5.9407 -4.6363 -4.6363 -4.3773 -4.3773 4.3330 4.3330 4.4364 4.4364 4.4699 4.4699 4.5606 4.5606 4.5853 4.5853 4.5970 4.5970 5.1181 5.1181 6.2210 6.2210 7.0434 7.0434 7.1595 7.1595 7.3103 7.3103 7.4349 7.4349 7.6124 7.6124 7.6421 7.6421 7.6591 7.6591 7.6634 7.6634 k = 0.0000 0.0000 0.2356 ( 11836 PWs) bands (ev): -21.8403 -21.8403 -21.7647 -21.7647 -21.6839 -21.6839 -21.6838 -21.6838 -21.6533 -21.6533 -21.6532 -21.6532 -8.9472 -8.9472 -8.8108 -8.8108 -8.5780 -8.5780 -8.5457 -8.5457 -8.5023 -8.5023 -8.1903 -8.1903 -7.2524 -7.2524 -7.2078 -7.2078 -6.8353 -6.8353 -6.6986 -6.6986 -6.5875 -6.5875 -6.4866 -6.4866 -6.3748 -6.3748 -6.3687 -6.3687 -6.1669 -6.1669 -6.1034 -6.1034 -5.9548 -5.9548 -5.9411 -5.9411 -4.6258 -4.6258 -4.3787 -4.3787 4.3266 4.3266 4.4201 4.4201 4.4619 4.4619 4.5471 4.5471 4.5720 4.5720 4.5824 4.5824 5.1529 5.1529 6.1950 6.1950 7.0561 7.0561 7.1894 7.1894 7.3403 7.3403 7.4333 7.4333 7.6491 7.6491 7.6623 7.6623 7.6656 7.6656 7.6692 7.6692 k = 0.0000 0.0000 0.2592 ( 11866 PWs) bands (ev): -21.8382 -21.8382 -21.7670 -21.7670 -21.6831 -21.6831 -21.6830 -21.6830 -21.6542 -21.6542 -21.6541 -21.6541 -8.9430 -8.9430 -8.8141 -8.8141 -8.5767 -8.5767 -8.5357 -8.5357 -8.5055 -8.5055 -8.2005 -8.2005 -7.2517 -7.2517 -7.2065 -7.2065 -6.8398 -6.8398 -6.7045 -6.7045 -6.5794 -6.5794 -6.4809 -6.4809 -6.3790 -6.3790 -6.3553 -6.3553 -6.1730 -6.1730 -6.1163 -6.1163 -5.9550 -5.9550 -5.9415 -5.9415 -4.6146 -4.6146 -4.3807 -4.3807 4.3201 4.3201 4.4040 4.4040 4.4540 4.4540 4.5336 4.5336 4.5583 4.5583 4.5673 4.5673 5.1899 5.1899 6.1675 6.1675 7.0699 7.0699 7.2209 7.2209 7.3718 7.3718 7.4306 7.4306 7.6559 7.6559 7.6729 7.6729 7.6756 7.6756 7.7141 7.7141 k = 0.0000 0.0000 0.2828 ( 11866 PWs) bands (ev): -21.8358 -21.8358 -21.7693 -21.7693 -21.6821 -21.6821 -21.6820 -21.6820 -21.6551 -21.6551 -21.6551 -21.6551 -8.9384 -8.9384 -8.8177 -8.8177 -8.5753 -8.5753 -8.5249 -8.5249 -8.5088 -8.5088 -8.2114 -8.2114 -7.2508 -7.2508 -7.2055 -7.2055 -6.8434 -6.8434 -6.7108 -6.7108 -6.5708 -6.5708 -6.4745 -6.4745 -6.3837 -6.3837 -6.3418 -6.3418 -6.1814 -6.1814 -6.1281 -6.1281 -5.9551 -5.9551 -5.9420 -5.9420 -4.6027 -4.6027 -4.3833 -4.3833 4.3136 4.3136 4.3882 4.3882 4.4464 4.4464 4.5202 4.5202 4.5445 4.5445 4.5520 4.5520 5.2289 5.2289 6.1385 6.1385 7.0847 7.0847 7.2537 7.2537 7.4044 7.4044 7.4266 7.4266 7.6633 7.6633 7.6813 7.6813 7.6819 7.6819 7.7674 7.7674 k = 0.0000 0.0000 0.3063 ( 11890 PWs) bands (ev): -21.8334 -21.8334 -21.7719 -21.7719 -21.6811 -21.6811 -21.6810 -21.6810 -21.6561 -21.6561 -21.6561 -21.6561 -8.9336 -8.9336 -8.8217 -8.8217 -8.5738 -8.5738 -8.5133 -8.5133 -8.5123 -8.5123 -8.2231 -8.2231 -7.2497 -7.2497 -7.2050 -7.2050 -6.8459 -6.8459 -6.7177 -6.7177 -6.5618 -6.5618 -6.4673 -6.4673 -6.3889 -6.3889 -6.3284 -6.3284 -6.1924 -6.1924 -6.1382 -6.1382 -5.9552 -5.9552 -5.9426 -5.9426 -4.5903 -4.5903 -4.3865 -4.3865 4.3073 4.3073 4.3731 4.3731 4.4392 4.4392 4.5073 4.5073 4.5308 4.5308 4.5367 4.5367 5.2697 5.2697 6.1081 6.1081 7.1006 7.1006 7.2873 7.2873 7.4211 7.4211 7.4379 7.4379 7.6712 7.6712 7.6878 7.6878 7.6914 7.6914 7.7883 7.7883 k = 0.0000 0.0000 0.3299 ( 11890 PWs) bands (ev): -21.8307 -21.8307 -21.7746 -21.7746 -21.6800 -21.6800 -21.6799 -21.6799 -21.6572 -21.6572 -21.6572 -21.6572 -8.9285 -8.9285 -8.8260 -8.8260 -8.5721 -8.5721 -8.5159 -8.5159 -8.5009 -8.5009 -8.2355 -8.2355 -7.2483 -7.2483 -7.2049 -7.2049 -6.8471 -6.8471 -6.7251 -6.7251 -6.5524 -6.5524 -6.4594 -6.4594 -6.3945 -6.3945 -6.3151 -6.3151 -6.2059 -6.2059 -6.1466 -6.1466 -5.9551 -5.9551 -5.9433 -5.9433 -4.5775 -4.5775 -4.3905 -4.3905 4.3013 4.3013 4.3587 4.3587 4.4327 4.4327 4.4950 4.4950 4.5175 4.5175 4.5217 4.5217 5.3120 5.3120 6.0763 6.0763 7.1173 7.1173 7.3213 7.3213 7.4142 7.4142 7.4718 7.4718 7.6784 7.6784 7.6945 7.6945 7.7033 7.7033 7.7964 7.7964 k = 0.0000 0.0000 0.3535 ( 11896 PWs) bands (ev): -21.8280 -21.8280 -21.7774 -21.7774 -21.6789 -21.6789 -21.6788 -21.6788 -21.6584 -21.6584 -21.6583 -21.6583 -8.9231 -8.9231 -8.8307 -8.8307 -8.5702 -8.5702 -8.5195 -8.5195 -8.4879 -8.4879 -8.2486 -8.2486 -7.2467 -7.2467 -7.2054 -7.2054 -6.8470 -6.8470 -6.7329 -6.7329 -6.5428 -6.5428 -6.4507 -6.4507 -6.4005 -6.4005 -6.3021 -6.3021 -6.2213 -6.2213 -6.1538 -6.1538 -5.9550 -5.9550 -5.9441 -5.9441 -4.5644 -4.5644 -4.3953 -4.3953 4.2957 4.2957 4.3453 4.3453 4.4270 4.4270 4.4837 4.4837 4.5048 4.5048 4.5071 4.5071 5.3557 5.3557 6.0430 6.0430 7.1349 7.1349 7.3555 7.3555 7.4058 7.4058 7.5057 7.5057 7.6822 7.6822 7.7046 7.7046 7.7173 7.7173 7.8020 7.8020 k = 0.0000 0.0000 0.3770 ( 11860 PWs) bands (ev): -21.8251 -21.8251 -21.7803 -21.7803 -21.6777 -21.6777 -21.6776 -21.6776 -21.6595 -21.6595 -21.6595 -21.6595 -8.9176 -8.9176 -8.8356 -8.8356 -8.5681 -8.5681 -8.5233 -8.5233 -8.4743 -8.4743 -8.2622 -8.2622 -7.2448 -7.2448 -7.2065 -7.2065 -6.8455 -6.8455 -6.7412 -6.7412 -6.5330 -6.5330 -6.4413 -6.4413 -6.4070 -6.4070 -6.2893 -6.2893 -6.2378 -6.2378 -6.1604 -6.1604 -5.9548 -5.9548 -5.9449 -5.9449 -4.5512 -4.5512 -4.4008 -4.4008 4.2908 4.2908 4.3329 4.3329 4.4223 4.4223 4.4735 4.4735 4.4929 4.4929 4.4931 4.4931 5.4005 5.4005 6.0081 6.0081 7.1531 7.1531 7.3894 7.3894 7.3957 7.3957 7.5392 7.5392 7.6818 7.6818 7.7189 7.7189 7.7338 7.7338 7.8048 7.8048 k = 0.0000 0.0000 0.4006 ( 11848 PWs) bands (ev): -21.8221 -21.8221 -21.7833 -21.7833 -21.6765 -21.6765 -21.6764 -21.6764 -21.6608 -21.6608 -21.6607 -21.6607 -8.9119 -8.9119 -8.8407 -8.8407 -8.5658 -8.5658 -8.5270 -8.5270 -8.4601 -8.4601 -8.2763 -8.2763 -7.2426 -7.2426 -7.2080 -7.2080 -6.8427 -6.8427 -6.7497 -6.7497 -6.5230 -6.5230 -6.4312 -6.4312 -6.4139 -6.4139 -6.2769 -6.2769 -6.2549 -6.2549 -6.1669 -6.1669 -5.9545 -5.9545 -5.9457 -5.9457 -4.5378 -4.5378 -4.4072 -4.4072 4.2865 4.2865 4.3217 4.3217 4.4187 4.4187 4.4646 4.4646 4.4800 4.4800 4.4819 4.4819 5.4461 5.4461 5.9718 5.9718 7.1719 7.1719 7.3841 7.3841 7.4228 7.4228 7.5721 7.5721 7.6779 7.6779 7.7365 7.7365 7.7527 7.7527 7.8046 7.8046 k = 0.0000 0.0000 0.4241 ( 11878 PWs) bands (ev): -21.8191 -21.8191 -21.7864 -21.7864 -21.6753 -21.6753 -21.6752 -21.6752 -21.6620 -21.6620 -21.6619 -21.6619 -8.9060 -8.9060 -8.8461 -8.8461 -8.5634 -8.5634 -8.5308 -8.5308 -8.4455 -8.4455 -8.2909 -8.2909 -7.2402 -7.2402 -7.2101 -7.2101 -6.8386 -6.8386 -6.7586 -6.7586 -6.5130 -6.5130 -6.4213 -6.4213 -6.4203 -6.4203 -6.2722 -6.2722 -6.2650 -6.2650 -6.1735 -6.1735 -5.9541 -5.9541 -5.9466 -5.9466 -4.5245 -4.5245 -4.4144 -4.4144 4.2830 4.2830 4.3117 4.3117 4.4162 4.4162 4.4571 4.4571 4.4677 4.4677 4.4720 4.4720 5.4923 5.4923 5.9338 5.9338 7.1911 7.1911 7.3710 7.3710 7.4552 7.4552 7.6039 7.6039 7.6710 7.6710 7.7572 7.7572 7.7743 7.7743 7.8013 7.8013 k = 0.0000 0.0000 0.4477 ( 11848 PWs) bands (ev): -21.8159 -21.8159 -21.7896 -21.7896 -21.6740 -21.6740 -21.6739 -21.6739 -21.6633 -21.6633 -21.6632 -21.6632 -8.9000 -8.9000 -8.8517 -8.8517 -8.5608 -8.5608 -8.5345 -8.5345 -8.4305 -8.4305 -8.3059 -8.3059 -7.2375 -7.2375 -7.2126 -7.2126 -6.8335 -6.8335 -6.7677 -6.7677 -6.5029 -6.5029 -6.4291 -6.4291 -6.4086 -6.4086 -6.2895 -6.2895 -6.2534 -6.2534 -6.1804 -6.1804 -5.9536 -5.9536 -5.9475 -5.9475 -4.5114 -4.5114 -4.4224 -4.4224 4.2805 4.2805 4.3030 4.3030 4.4151 4.4151 4.4511 4.4511 4.4566 4.4566 4.4633 4.4633 5.5388 5.5388 5.8944 5.8944 7.2105 7.2105 7.3566 7.3566 7.4863 7.4863 7.6344 7.6344 7.6610 7.6610 7.7808 7.7808 7.7944 7.7944 7.7989 7.7989 k = 0.0000 0.0000 0.4713 ( 11872 PWs) bands (ev): -21.8127 -21.8127 -21.7929 -21.7929 -21.6727 -21.6727 -21.6726 -21.6726 -21.6646 -21.6646 -21.6645 -21.6645 -8.8939 -8.8939 -8.8575 -8.8575 -8.5580 -8.5580 -8.5382 -8.5382 -8.4151 -8.4151 -8.3211 -8.3211 -7.2346 -7.2346 -7.2154 -7.2154 -6.8272 -6.8272 -6.7769 -6.7769 -6.4929 -6.4929 -6.4373 -6.4373 -6.3961 -6.3961 -6.3064 -6.3064 -6.2424 -6.2424 -6.1877 -6.1877 -5.9531 -5.9531 -5.9484 -5.9484 -4.4984 -4.4984 -4.4313 -4.4313 4.2790 4.2790 4.2956 4.2956 4.4153 4.4153 4.4466 4.4466 4.4467 4.4467 4.4561 4.4561 5.5855 5.5855 5.8535 5.8535 7.2301 7.2301 7.3409 7.3409 7.5159 7.5159 7.6482 7.6482 7.6631 7.6631 7.7847 7.7847 7.8074 7.8074 7.8260 7.8260 k = 0.0000 0.0000 0.4948 ( 11908 PWs) bands (ev): -21.8094 -21.8094 -21.7962 -21.7962 -21.6713 -21.6713 -21.6712 -21.6712 -21.6659 -21.6659 -21.6659 -21.6659 -8.8878 -8.8878 -8.8634 -8.8634 -8.5550 -8.5550 -8.5418 -8.5418 -8.3996 -8.3996 -8.3367 -8.3367 -7.2315 -7.2315 -7.2184 -7.2184 -6.8201 -6.8201 -6.7861 -6.7861 -6.4831 -6.4831 -6.4458 -6.4458 -6.3829 -6.3829 -6.3229 -6.3229 -6.2319 -6.2319 -6.1954 -6.1954 -5.9524 -5.9524 -5.9493 -5.9493 -4.4859 -4.4859 -4.4409 -4.4409 4.2785 4.2785 4.2895 4.2895 4.4169 4.4169 4.4379 4.4379 4.4440 4.4440 4.4504 4.4504 5.6319 5.6319 5.8113 5.8113 7.2497 7.2497 7.3241 7.3241 7.5437 7.5437 7.6325 7.6325 7.6898 7.6898 7.7716 7.7716 7.8370 7.8370 7.8561 7.8561 k = 0.0000 0.0000 0.5184 ( 11896 PWs) bands (ev): -21.8061 -21.8061 -21.7995 -21.7995 -21.6700 -21.6700 -21.6699 -21.6699 -21.6673 -21.6673 -21.6672 -21.6672 -8.8816 -8.8816 -8.8694 -8.8694 -8.5519 -8.5519 -8.5453 -8.5453 -8.3839 -8.3839 -8.3523 -8.3523 -7.2283 -7.2283 -7.2217 -7.2217 -6.8123 -6.8123 -6.7951 -6.7951 -6.4734 -6.4734 -6.4547 -6.4547 -6.3690 -6.3690 -6.3389 -6.3389 -6.2220 -6.2220 -6.2037 -6.2037 -5.9517 -5.9517 -5.9501 -5.9501 -4.4738 -4.4738 -4.4512 -4.4512 4.2794 4.2794 4.2848 4.2848 4.4200 4.4200 4.4305 4.4305 4.4431 4.4431 4.4463 4.4463 5.6779 5.6779 5.7678 5.7678 7.2691 7.2691 7.3065 7.3065 7.5695 7.5695 7.6140 7.6140 7.7143 7.7143 7.7554 7.7554 7.8695 7.8695 7.8892 7.8892 k = 0.0000 0.0000 0.5420 ( 11884 PWs) bands (ev): -21.8028 -21.8028 -21.8028 -21.8028 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -8.8755 -8.8755 -8.8755 -8.8755 -8.5486 -8.5486 -8.5486 -8.5486 -8.3681 -8.3681 -8.3681 -8.3681 -7.2250 -7.2250 -7.2250 -7.2250 -6.8039 -6.8039 -6.8039 -6.8039 -6.4639 -6.4639 -6.4639 -6.4639 -6.3543 -6.3543 -6.3543 -6.3543 -6.2126 -6.2126 -6.2126 -6.2126 -5.9509 -5.9509 -5.9509 -5.9509 -4.4622 -4.4622 -4.4621 -4.4621 4.2814 4.2814 4.2815 4.2815 4.4245 4.4245 4.4246 4.4246 4.4438 4.4438 4.4439 4.4439 5.7233 5.7233 5.7233 5.7233 7.2880 7.2880 7.2880 7.2880 7.5930 7.5930 7.5930 7.5930 7.7362 7.7362 7.7362 7.7362 7.9050 7.9050 7.9050 7.9050 k = 0.0000 0.0000 0.5420 ( 11884 PWs) bands (ev): -21.8028 -21.8028 -21.8028 -21.8028 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -8.8755 -8.8755 -8.8755 -8.8755 -8.5486 -8.5486 -8.5486 -8.5486 -8.3681 -8.3681 -8.3681 -8.3681 -7.2250 -7.2250 -7.2250 -7.2250 -6.8039 -6.8039 -6.8039 -6.8039 -6.4639 -6.4639 -6.4639 -6.4639 -6.3543 -6.3543 -6.3543 -6.3543 -6.2126 -6.2126 -6.2126 -6.2126 -5.9509 -5.9509 -5.9509 -5.9509 -4.4622 -4.4622 -4.4621 -4.4621 4.2814 4.2814 4.2815 4.2815 4.4245 4.4245 4.4246 4.4246 4.4438 4.4438 4.4439 4.4439 5.7233 5.7233 5.7233 5.7233 7.2880 7.2880 7.2880 7.2880 7.5930 7.5930 7.5930 7.5930 7.7362 7.7362 7.7362 7.7362 7.9050 7.9050 7.9050 7.9050 k = 0.0208 0.0120 0.5420 ( 11902 PWs) bands (ev): -21.8028 -21.8028 -21.8028 -21.8028 -21.6687 -21.6687 -21.6687 -21.6687 -21.6686 -21.6686 -21.6686 -21.6686 -8.8755 -8.8755 -8.8755 -8.8755 -8.5486 -8.5486 -8.5486 -8.5486 -8.3682 -8.3682 -8.3682 -8.3682 -7.2250 -7.2250 -7.2249 -7.2249 -6.8038 -6.8038 -6.8038 -6.8038 -6.4640 -6.4640 -6.4640 -6.4640 -6.3541 -6.3541 -6.3541 -6.3541 -6.2126 -6.2126 -6.2126 -6.2126 -5.9512 -5.9512 -5.9512 -5.9512 -4.4623 -4.4623 -4.4622 -4.4622 4.2825 4.2825 4.2825 4.2825 4.4247 4.4247 4.4248 4.4248 4.4440 4.4440 4.4442 4.4442 5.7234 5.7234 5.7234 5.7234 7.2864 7.2864 7.2865 7.2865 7.5914 7.5914 7.5915 7.5915 7.7341 7.7341 7.7341 7.7341 7.9029 7.9029 7.9031 7.9031 k = 0.0417 0.0241 0.5420 ( 11898 PWs) bands (ev): -21.8027 -21.8027 -21.8027 -21.8027 -21.6687 -21.6687 -21.6687 -21.6687 -21.6686 -21.6686 -21.6686 -21.6686 -8.8756 -8.8756 -8.8755 -8.8755 -8.5484 -8.5484 -8.5484 -8.5484 -8.3683 -8.3683 -8.3683 -8.3683 -7.2249 -7.2249 -7.2249 -7.2249 -6.8034 -6.8034 -6.8034 -6.8034 -6.4643 -6.4643 -6.4643 -6.4643 -6.3536 -6.3536 -6.3536 -6.3536 -6.2126 -6.2126 -6.2126 -6.2126 -5.9520 -5.9520 -5.9520 -5.9520 -4.4625 -4.4625 -4.4624 -4.4624 4.2857 4.2857 4.2858 4.2858 4.4251 4.4251 4.4253 4.4253 4.4449 4.4449 4.4452 4.4452 5.7236 5.7236 5.7236 5.7236 7.2816 7.2816 7.2817 7.2817 7.5869 7.5869 7.5869 7.5869 7.7277 7.7277 7.7281 7.7281 7.8939 7.8939 7.8955 7.8955 k = 0.0625 0.0361 0.5420 ( 11888 PWs) bands (ev): -21.8026 -21.8026 -21.8026 -21.8026 -21.6688 -21.6688 -21.6688 -21.6688 -21.6686 -21.6686 -21.6686 -21.6686 -8.8756 -8.8756 -8.8756 -8.8756 -8.5480 -8.5480 -8.5480 -8.5480 -8.3686 -8.3686 -8.3686 -8.3686 -7.2248 -7.2248 -7.2247 -7.2247 -6.8027 -6.8027 -6.8026 -6.8026 -6.4648 -6.4648 -6.4648 -6.4648 -6.3527 -6.3527 -6.3527 -6.3527 -6.2125 -6.2125 -6.2125 -6.2125 -5.9533 -5.9533 -5.9533 -5.9533 -4.4629 -4.4629 -4.4628 -4.4628 4.2909 4.2909 4.2910 4.2910 4.4253 4.4253 4.4261 4.4261 4.4465 4.4465 4.4473 4.4473 5.7241 5.7241 5.7242 5.7242 7.2733 7.2733 7.2736 7.2736 7.5795 7.5795 7.5796 7.5796 7.7171 7.7171 7.7184 7.7184 7.8766 7.8766 7.8802 7.8802 k = 0.0833 0.0481 0.5420 ( 11864 PWs) bands (ev): -21.8024 -21.8024 -21.8024 -21.8024 -21.6689 -21.6689 -21.6689 -21.6689 -21.6687 -21.6687 -21.6687 -21.6687 -8.8757 -8.8757 -8.8756 -8.8756 -8.5476 -8.5476 -8.5475 -8.5475 -8.3689 -8.3689 -8.3689 -8.3689 -7.2246 -7.2246 -7.2246 -7.2246 -6.8017 -6.8017 -6.8017 -6.8017 -6.4655 -6.4655 -6.4655 -6.4655 -6.3515 -6.3515 -6.3515 -6.3515 -6.2125 -6.2125 -6.2125 -6.2125 -5.9551 -5.9551 -5.9550 -5.9550 -4.4634 -4.4634 -4.4633 -4.4633 4.2980 4.2980 4.2982 4.2982 4.4251 4.4251 4.4268 4.4268 4.4492 4.4492 4.4509 4.4509 5.7249 5.7249 5.7251 5.7251 7.2609 7.2609 7.2618 7.2618 7.5695 7.5695 7.5698 7.5698 7.7025 7.7025 7.7056 7.7056 7.8539 7.8539 7.8600 7.8600 k = 0.1042 0.0601 0.5420 ( 11848 PWs) bands (ev): -21.8022 -21.8022 -21.8022 -21.8022 -21.6691 -21.6691 -21.6691 -21.6691 -21.6688 -21.6688 -21.6688 -21.6688 -8.8757 -8.8757 -8.8757 -8.8757 -8.5470 -8.5470 -8.5469 -8.5469 -8.3694 -8.3694 -8.3693 -8.3693 -7.2244 -7.2244 -7.2244 -7.2244 -6.8005 -6.8005 -6.8004 -6.8004 -6.4664 -6.4664 -6.4663 -6.4663 -6.3501 -6.3501 -6.3500 -6.3500 -6.2125 -6.2125 -6.2124 -6.2124 -5.9573 -5.9573 -5.9573 -5.9573 -4.4640 -4.4640 -4.4639 -4.4639 4.3067 4.3067 4.3070 4.3070 4.4245 4.4245 4.4274 4.4274 4.4532 4.4532 4.4560 4.4560 5.7261 5.7261 5.7266 5.7266 7.2440 7.2440 7.2458 7.2458 7.5574 7.5574 7.5580 7.5580 7.6840 7.6840 7.6900 7.6900 7.8285 7.8285 7.8382 7.8382 k = 0.1250 0.0722 0.5420 ( 11876 PWs) bands (ev): -21.8020 -21.8020 -21.8020 -21.8020 -21.6693 -21.6693 -21.6693 -21.6693 -21.6688 -21.6688 -21.6688 -21.6688 -8.8758 -8.8758 -8.8758 -8.8758 -8.5463 -8.5463 -8.5462 -8.5462 -8.3699 -8.3699 -8.3699 -8.3699 -7.2242 -7.2242 -7.2242 -7.2242 -6.7990 -6.7990 -6.7989 -6.7989 -6.4674 -6.4674 -6.4673 -6.4673 -6.3483 -6.3483 -6.3482 -6.3482 -6.2125 -6.2125 -6.2123 -6.2123 -5.9600 -5.9600 -5.9599 -5.9599 -4.4648 -4.4648 -4.4646 -4.4646 4.3166 4.3166 4.3171 4.3171 4.4235 4.4235 4.4277 4.4277 4.4586 4.4586 4.4625 4.4625 5.7281 5.7281 5.7289 5.7289 7.2220 7.2220 7.2251 7.2251 7.5436 7.5436 7.5449 7.5449 7.6622 7.6622 7.6723 7.6723 7.8026 7.8026 7.8168 7.8168 k = 0.1458 0.0842 0.5420 ( 11858 PWs) bands (ev): -21.8017 -21.8017 -21.8017 -21.8017 -21.6695 -21.6695 -21.6695 -21.6695 -21.6689 -21.6689 -21.6689 -21.6689 -8.8759 -8.8759 -8.8759 -8.8759 -8.5454 -8.5454 -8.5454 -8.5454 -8.3705 -8.3705 -8.3705 -8.3705 -7.2239 -7.2239 -7.2239 -7.2239 -6.7974 -6.7974 -6.7972 -6.7972 -6.4685 -6.4685 -6.4683 -6.4683 -6.3464 -6.3464 -6.3462 -6.3462 -6.2125 -6.2125 -6.2122 -6.2122 -5.9630 -5.9630 -5.9629 -5.9629 -4.4656 -4.4656 -4.4655 -4.4655 4.3272 4.3272 4.3281 4.3281 4.4225 4.4225 4.4281 4.4281 4.4653 4.4653 4.4705 4.4705 5.7310 5.7310 5.7322 5.7322 7.1943 7.1943 7.1991 7.1991 7.5287 7.5287 7.5310 7.5310 7.6382 7.6382 7.6529 7.6529 7.7777 7.7777 7.7971 7.7971 k = 0.1667 0.0962 0.5420 ( 11852 PWs) bands (ev): -21.8014 -21.8014 -21.8014 -21.8014 -21.6697 -21.6697 -21.6697 -21.6697 -21.6690 -21.6690 -21.6690 -21.6690 -8.8761 -8.8761 -8.8760 -8.8760 -8.5445 -8.5445 -8.5445 -8.5445 -8.3712 -8.3712 -8.3712 -8.3712 -7.2236 -7.2236 -7.2236 -7.2236 -6.7955 -6.7955 -6.7953 -6.7953 -6.4698 -6.4698 -6.4695 -6.4695 -6.3443 -6.3443 -6.3440 -6.3440 -6.2125 -6.2125 -6.2121 -6.2121 -5.9664 -5.9664 -5.9663 -5.9663 -4.4665 -4.4665 -4.4664 -4.4664 4.3379 4.3379 4.3394 4.3394 4.4217 4.4217 4.4290 4.4290 4.4733 4.4733 4.4796 4.4796 5.7350 5.7350 5.7369 5.7369 7.1606 7.1606 7.1674 7.1674 7.5132 7.5132 7.5172 7.5172 7.6132 7.6132 7.6322 7.6322 7.7548 7.7548 7.7796 7.7796 k = 0.1875 0.1083 0.5420 ( 11854 PWs) bands (ev): -21.8010 -21.8010 -21.8010 -21.8010 -21.6700 -21.6700 -21.6700 -21.6700 -21.6691 -21.6691 -21.6691 -21.6691 -8.8762 -8.8762 -8.8761 -8.8761 -8.5436 -8.5436 -8.5435 -8.5435 -8.3720 -8.3720 -8.3719 -8.3719 -7.2234 -7.2234 -7.2233 -7.2233 -6.7935 -6.7935 -6.7933 -6.7933 -6.4710 -6.4710 -6.4707 -6.4707 -6.3421 -6.3421 -6.3417 -6.3417 -6.2124 -6.2124 -6.2120 -6.2120 -5.9700 -5.9700 -5.9699 -5.9699 -4.4676 -4.4676 -4.4675 -4.4675 4.3479 4.3479 4.3503 4.3503 4.4219 4.4219 4.4309 4.4309 4.4824 4.4824 4.4898 4.4898 5.7406 5.7406 5.7431 5.7431 7.1208 7.1208 7.1298 7.1298 7.4975 7.4975 7.5041 7.5041 7.5886 7.5886 7.6109 7.6109 7.7345 7.7345 7.7643 7.7643 k = 0.2083 0.1203 0.5420 ( 11856 PWs) bands (ev): -21.8006 -21.8006 -21.8006 -21.8006 -21.6703 -21.6703 -21.6703 -21.6703 -21.6692 -21.6692 -21.6692 -21.6692 -8.8763 -8.8763 -8.8762 -8.8762 -8.5425 -8.5425 -8.5424 -8.5424 -8.3728 -8.3728 -8.3727 -8.3727 -7.2231 -7.2231 -7.2230 -7.2230 -6.7914 -6.7914 -6.7911 -6.7911 -6.4724 -6.4724 -6.4719 -6.4719 -6.3398 -6.3398 -6.3393 -6.3393 -6.2124 -6.2124 -6.2119 -6.2119 -5.9739 -5.9739 -5.9737 -5.9737 -4.4687 -4.4687 -4.4685 -4.4685 4.3564 4.3564 4.3596 4.3596 4.4237 4.4237 4.4344 4.4344 4.4926 4.4926 4.5010 4.5010 5.7480 5.7480 5.7513 5.7513 7.0753 7.0753 7.0865 7.0865 7.4817 7.4817 7.4918 7.4918 7.5658 7.5658 7.5894 7.5894 7.7168 7.7168 7.7510 7.7510 k = 0.2292 0.1323 0.5420 ( 11852 PWs) bands (ev): -21.8003 -21.8003 -21.8003 -21.8003 -21.6706 -21.6706 -21.6706 -21.6706 -21.6693 -21.6693 -21.6693 -21.6693 -8.8764 -8.8764 -8.8763 -8.8763 -8.5414 -8.5414 -8.5413 -8.5413 -8.3737 -8.3737 -8.3736 -8.3736 -7.2227 -7.2227 -7.2227 -7.2227 -6.7891 -6.7891 -6.7888 -6.7888 -6.4737 -6.4737 -6.4731 -6.4731 -6.3374 -6.3374 -6.3368 -6.3368 -6.2124 -6.2124 -6.2117 -6.2117 -5.9779 -5.9779 -5.9776 -5.9776 -4.4698 -4.4698 -4.4697 -4.4697 4.3626 4.3626 4.3665 4.3665 4.4279 4.4279 4.4400 4.4400 4.5036 4.5036 4.5129 4.5129 5.7576 5.7576 5.7618 5.7618 7.0248 7.0248 7.0381 7.0381 7.4660 7.4660 7.4806 7.4806 7.5455 7.5455 7.5685 7.5685 7.7018 7.7018 7.7396 7.7396 k = 0.2500 0.1443 0.5420 ( 11840 PWs) bands (ev): -21.7999 -21.7999 -21.7999 -21.7999 -21.6709 -21.6709 -21.6709 -21.6709 -21.6694 -21.6694 -21.6694 -21.6694 -8.8765 -8.8765 -8.8764 -8.8764 -8.5403 -8.5403 -8.5402 -8.5402 -8.3746 -8.3746 -8.3745 -8.3745 -7.2224 -7.2224 -7.2224 -7.2224 -6.7868 -6.7868 -6.7864 -6.7864 -6.4750 -6.4750 -6.4744 -6.4744 -6.3350 -6.3350 -6.3343 -6.3343 -6.2124 -6.2124 -6.2116 -6.2116 -5.9819 -5.9819 -5.9816 -5.9816 -4.4709 -4.4709 -4.4708 -4.4708 4.3663 4.3663 4.3704 4.3704 4.4348 4.4348 4.4475 4.4475 4.5153 4.5153 4.5253 4.5253 5.7696 5.7696 5.7748 5.7748 6.9702 6.9702 6.9852 6.9852 7.4506 7.4506 7.4703 7.4703 7.5281 7.5281 7.5485 7.5485 7.6894 7.6894 7.7298 7.7298 k = 0.2708 0.1564 0.5420 ( 11858 PWs) bands (ev): -21.7995 -21.7995 -21.7995 -21.7995 -21.6712 -21.6712 -21.6712 -21.6712 -21.6695 -21.6695 -21.6695 -21.6695 -8.8766 -8.8766 -8.8765 -8.8765 -8.5392 -8.5392 -8.5390 -8.5390 -8.3755 -8.3755 -8.3754 -8.3754 -7.2221 -7.2221 -7.2221 -7.2221 -6.7845 -6.7845 -6.7840 -6.7840 -6.4763 -6.4763 -6.4756 -6.4756 -6.3327 -6.3327 -6.3319 -6.3319 -6.2124 -6.2124 -6.2115 -6.2115 -5.9860 -5.9860 -5.9857 -5.9857 -4.4721 -4.4721 -4.4719 -4.4719 4.3680 4.3680 4.3717 4.3717 4.4438 4.4438 4.4564 4.4564 4.5274 4.5274 4.5379 4.5379 5.7846 5.7846 5.7908 5.7908 6.9122 6.9122 6.9286 6.9286 7.4356 7.4356 7.4606 7.4606 7.5137 7.5137 7.5300 7.5300 7.6795 7.6795 7.7217 7.7217 k = 0.2917 0.1684 0.5420 ( 11860 PWs) bands (ev): -21.7991 -21.7991 -21.7991 -21.7991 -21.6715 -21.6715 -21.6715 -21.6715 -21.6696 -21.6696 -21.6696 -21.6696 -8.8767 -8.8767 -8.8766 -8.8766 -8.5381 -8.5381 -8.5379 -8.5379 -8.3764 -8.3764 -8.3763 -8.3763 -7.2219 -7.2219 -7.2218 -7.2218 -6.7821 -6.7821 -6.7816 -6.7816 -6.4776 -6.4776 -6.4767 -6.4767 -6.3304 -6.3304 -6.3295 -6.3295 -6.2125 -6.2125 -6.2114 -6.2114 -5.9899 -5.9899 -5.9896 -5.9896 -4.4732 -4.4732 -4.4731 -4.4731 4.3680 4.3680 4.3712 4.3712 4.4539 4.4539 4.4661 4.4661 4.5398 4.5398 4.5505 4.5505 5.8026 5.8026 5.8099 5.8099 6.8518 6.8518 6.8692 6.8692 7.4214 7.4214 7.4511 7.4511 7.5019 7.5019 7.5135 7.5135 7.6720 7.6720 7.7152 7.7152 k = 0.3125 0.1804 0.5420 ( 11854 PWs) bands (ev): -21.7987 -21.7987 -21.7987 -21.7987 -21.6718 -21.6718 -21.6718 -21.6718 -21.6697 -21.6697 -21.6697 -21.6697 -8.8768 -8.8768 -8.8767 -8.8767 -8.5370 -8.5370 -8.5368 -8.5368 -8.3773 -8.3773 -8.3772 -8.3772 -7.2216 -7.2216 -7.2215 -7.2215 -6.7799 -6.7799 -6.7793 -6.7793 -6.4788 -6.4788 -6.4779 -6.4779 -6.3282 -6.3282 -6.3272 -6.3272 -6.2124 -6.2124 -6.2113 -6.2113 -5.9938 -5.9938 -5.9934 -5.9934 -4.4743 -4.4743 -4.4742 -4.4742 4.3671 4.3671 4.3697 4.3697 4.4644 4.4644 4.4758 4.4758 4.5521 4.5521 4.5627 4.5627 5.8240 5.8240 5.8324 5.8324 6.7898 6.7898 6.8079 6.8079 7.4083 7.4083 7.4415 7.4415 7.4923 7.4923 7.4993 7.4993 7.6668 7.6668 7.7104 7.7104 k = 0.3333 0.1925 0.5420 ( 11862 PWs) bands (ev): -21.7984 -21.7984 -21.7984 -21.7984 -21.6721 -21.6721 -21.6721 -21.6721 -21.6698 -21.6698 -21.6698 -21.6698 -8.8768 -8.8768 -8.8768 -8.8768 -8.5359 -8.5359 -8.5357 -8.5357 -8.3782 -8.3782 -8.3780 -8.3780 -7.2214 -7.2214 -7.2213 -7.2213 -6.7777 -6.7777 -6.7771 -6.7771 -6.4799 -6.4799 -6.4789 -6.4789 -6.3260 -6.3260 -6.3251 -6.3251 -6.2124 -6.2124 -6.2113 -6.2113 -5.9974 -5.9974 -5.9971 -5.9971 -4.4754 -4.4754 -4.4752 -4.4752 4.3655 4.3655 4.3676 4.3676 4.4747 4.4747 4.4851 4.4851 4.5640 4.5640 4.5742 4.5742 5.8488 5.8488 5.8582 5.8582 6.7268 6.7268 6.7453 6.7453 7.3966 7.3966 7.4314 7.4314 7.4845 7.4845 7.4879 7.4879 7.6639 7.6639 7.7072 7.7072 k = 0.3542 0.2045 0.5420 ( 11866 PWs) bands (ev): -21.7980 -21.7980 -21.7980 -21.7980 -21.6723 -21.6723 -21.6723 -21.6723 -21.6698 -21.6698 -21.6698 -21.6698 -8.8769 -8.8769 -8.8768 -8.8768 -8.5349 -8.5349 -8.5347 -8.5347 -8.3790 -8.3790 -8.3788 -8.3788 -7.2211 -7.2211 -7.2211 -7.2211 -6.7756 -6.7756 -6.7751 -6.7751 -6.4809 -6.4809 -6.4799 -6.4799 -6.3241 -6.3241 -6.3231 -6.3231 -6.2124 -6.2124 -6.2113 -6.2113 -6.0008 -6.0008 -6.0005 -6.0005 -4.4764 -4.4764 -4.4762 -4.4762 4.3636 4.3636 4.3653 4.3653 4.4844 4.4844 4.4937 4.4937 4.5753 4.5753 4.5848 4.5848 5.8772 5.8772 5.8875 5.8875 6.6636 6.6636 6.6823 6.6823 7.3864 7.3864 7.4209 7.4209 7.4782 7.4782 7.4790 7.4790 7.6632 7.6632 7.7058 7.7058 k = 0.3750 0.2165 0.5420 ( 11874 PWs) bands (ev): -21.7977 -21.7977 -21.7977 -21.7977 -21.6726 -21.6726 -21.6726 -21.6726 -21.6699 -21.6699 -21.6699 -21.6699 -8.8769 -8.8769 -8.8769 -8.8769 -8.5340 -8.5340 -8.5338 -8.5338 -8.3797 -8.3797 -8.3796 -8.3796 -7.2209 -7.2209 -7.2209 -7.2209 -6.7738 -6.7738 -6.7732 -6.7732 -6.4817 -6.4817 -6.4808 -6.4808 -6.3223 -6.3223 -6.3214 -6.3214 -6.2124 -6.2124 -6.2113 -6.2113 -6.0038 -6.0038 -6.0035 -6.0035 -4.4772 -4.4772 -4.4771 -4.4771 4.3617 4.3617 4.3630 4.3630 4.4932 4.4932 4.5013 4.5013 4.5855 4.5855 4.5942 4.5942 5.9089 5.9089 5.9201 5.9201 6.6010 6.6010 6.6195 6.6195 7.3780 7.3780 7.4104 7.4104 7.4723 7.4723 7.4731 7.4731 7.6647 7.6647 7.7060 7.7060 k = 0.3958 0.2285 0.5420 ( 11862 PWs) bands (ev): -21.7975 -21.7975 -21.7975 -21.7975 -21.6728 -21.6728 -21.6728 -21.6728 -21.6700 -21.6700 -21.6700 -21.6700 -8.8770 -8.8770 -8.8769 -8.8769 -8.5332 -8.5332 -8.5330 -8.5330 -8.3804 -8.3804 -8.3803 -8.3803 -7.2208 -7.2208 -7.2207 -7.2207 -6.7721 -6.7721 -6.7716 -6.7716 -6.4825 -6.4825 -6.4816 -6.4816 -6.3207 -6.3207 -6.3199 -6.3199 -6.2123 -6.2123 -6.2114 -6.2114 -6.0065 -6.0065 -6.0062 -6.0062 -4.4780 -4.4780 -4.4779 -4.4779 4.3599 4.3599 4.3608 4.3608 4.5011 4.5011 4.5079 4.5079 4.5946 4.5946 4.6022 4.6022 5.9436 5.9436 5.9555 5.9555 6.5397 6.5397 6.5577 6.5577 7.3714 7.3714 7.4003 7.4003 7.4675 7.4675 7.4690 7.4690 7.6684 7.6684 7.7078 7.7078 k = 0.4167 0.2406 0.5420 ( 11852 PWs) bands (ev): -21.7973 -21.7973 -21.7973 -21.7973 -21.6730 -21.6730 -21.6730 -21.6730 -21.6700 -21.6700 -21.6700 -21.6700 -8.8770 -8.8770 -8.8770 -8.8770 -8.5325 -8.5325 -8.5324 -8.5324 -8.3809 -8.3809 -8.3808 -8.3808 -7.2206 -7.2206 -7.2206 -7.2206 -6.7706 -6.7706 -6.7702 -6.7702 -6.4831 -6.4831 -6.4823 -6.4823 -6.3194 -6.3194 -6.3187 -6.3187 -6.2123 -6.2123 -6.2114 -6.2114 -6.0087 -6.0087 -6.0085 -6.0085 -4.4787 -4.4787 -4.4785 -4.4785 4.3582 4.3582 4.3589 4.3589 4.5078 4.5078 4.5133 4.5133 4.6024 4.6024 4.6087 4.6087 5.9808 5.9808 5.9930 5.9930 6.4807 6.4807 6.4980 6.4980 7.3667 7.3667 7.3909 7.3909 7.4640 7.4640 7.4657 7.4657 7.6741 7.6741 7.7111 7.7111 k = 0.4375 0.2526 0.5420 ( 11864 PWs) bands (ev): -21.7971 -21.7971 -21.7971 -21.7971 -21.6731 -21.6731 -21.6731 -21.6731 -21.6701 -21.6701 -21.6701 -21.6701 -8.8770 -8.8770 -8.8770 -8.8770 -8.5320 -8.5320 -8.5319 -8.5319 -8.3814 -8.3814 -8.3813 -8.3813 -7.2205 -7.2205 -7.2205 -7.2205 -6.7695 -6.7695 -6.7691 -6.7691 -6.4835 -6.4835 -6.4829 -6.4829 -6.3182 -6.3182 -6.3177 -6.3177 -6.2122 -6.2122 -6.2115 -6.2115 -6.0105 -6.0105 -6.0103 -6.0103 -4.4792 -4.4792 -4.4791 -4.4791 4.3568 4.3568 4.3574 4.3574 4.5132 4.5132 4.5174 4.5174 4.6087 4.6087 4.6136 4.6136 6.0191 6.0191 6.0312 6.0312 6.4259 6.4259 6.4417 6.4417 7.3639 7.3639 7.3827 7.3827 7.4616 7.4616 7.4632 7.4632 7.6816 7.6816 7.7154 7.7154 k = 0.4583 0.2646 0.5420 ( 11856 PWs) bands (ev): -21.7969 -21.7969 -21.7969 -21.7969 -21.6732 -21.6732 -21.6732 -21.6732 -21.6701 -21.6701 -21.6701 -21.6701 -8.8771 -8.8771 -8.8770 -8.8770 -8.5316 -8.5316 -8.5315 -8.5315 -8.3817 -8.3817 -8.3817 -8.3817 -7.2204 -7.2204 -7.2204 -7.2204 -6.7686 -6.7686 -6.7684 -6.7684 -6.4838 -6.4838 -6.4834 -6.4834 -6.3174 -6.3174 -6.3170 -6.3170 -6.2121 -6.2121 -6.2116 -6.2116 -6.0118 -6.0118 -6.0116 -6.0116 -4.4796 -4.4796 -4.4794 -4.4794 4.3559 4.3559 4.3562 4.3562 4.5174 4.5174 4.5202 4.5202 4.6136 4.6136 4.6168 4.6168 6.0562 6.0562 6.0669 6.0669 6.3783 6.3783 6.3915 6.3915 7.3629 7.3629 7.3757 7.3757 7.4601 7.4601 7.4613 7.4613 7.6907 7.6907 7.7191 7.7191 k = 0.4792 0.2766 0.5420 ( 11864 PWs) bands (ev): -21.7969 -21.7969 -21.7969 -21.7969 -21.6733 -21.6733 -21.6733 -21.6733 -21.6701 -21.6701 -21.6701 -21.6701 -8.8771 -8.8771 -8.8770 -8.8770 -8.5313 -8.5313 -8.5313 -8.5313 -8.3819 -8.3819 -8.3819 -8.3819 -7.2204 -7.2204 -7.2203 -7.2203 -6.7680 -6.7680 -6.7679 -6.7679 -6.4839 -6.4839 -6.4837 -6.4837 -6.3169 -6.3169 -6.3167 -6.3167 -6.2120 -6.2120 -6.2118 -6.2118 -6.0125 -6.0125 -6.0125 -6.0125 -4.4798 -4.4798 -4.4797 -4.4797 4.3553 4.3553 4.3555 4.3555 4.5202 4.5202 4.5216 4.5216 4.6168 4.6168 4.6185 4.6185 6.0871 6.0871 6.0940 6.0940 6.3443 6.3443 6.3525 6.3525 7.3636 7.3636 7.3701 7.3701 7.4594 7.4594 7.4600 7.4600 7.7009 7.7009 7.7185 7.7185 k = 0.5000 0.2887 0.5420 ( 11872 PWs) bands (ev): -21.7968 -21.7968 -21.7968 -21.7968 -21.6733 -21.6733 -21.6733 -21.6733 -21.6701 -21.6701 -21.6701 -21.6701 -8.8771 -8.8771 -8.8770 -8.8770 -8.5312 -8.5312 -8.5312 -8.5312 -8.3820 -8.3820 -8.3820 -8.3820 -7.2204 -7.2204 -7.2203 -7.2203 -6.7678 -6.7678 -6.7678 -6.7678 -6.4839 -6.4839 -6.4839 -6.4839 -6.3166 -6.3166 -6.3166 -6.3166 -6.2119 -6.2119 -6.2119 -6.2119 -6.0128 -6.0128 -6.0128 -6.0128 -4.4799 -4.4799 -4.4798 -4.4798 4.3551 4.3551 4.3552 4.3552 4.5216 4.5216 4.5217 4.5217 4.6184 4.6184 4.6185 4.6185 6.1023 6.1023 6.1023 6.1023 6.3342 6.3342 6.3342 6.3342 7.3660 7.3660 7.3660 7.3660 7.4594 7.4594 7.4594 7.4594 7.7112 7.7112 7.7112 7.7112 k = 0.5000 0.2887 0.5420 ( 11872 PWs) bands (ev): -21.7968 -21.7968 -21.7968 -21.7968 -21.6733 -21.6733 -21.6733 -21.6733 -21.6701 -21.6701 -21.6701 -21.6701 -8.8771 -8.8771 -8.8770 -8.8770 -8.5312 -8.5312 -8.5312 -8.5312 -8.3820 -8.3820 -8.3820 -8.3820 -7.2204 -7.2204 -7.2203 -7.2203 -6.7678 -6.7678 -6.7678 -6.7678 -6.4839 -6.4839 -6.4839 -6.4839 -6.3166 -6.3166 -6.3166 -6.3166 -6.2119 -6.2119 -6.2119 -6.2119 -6.0128 -6.0128 -6.0128 -6.0128 -4.4799 -4.4799 -4.4798 -4.4798 4.3551 4.3551 4.3552 4.3552 4.5216 4.5216 4.5217 4.5217 4.6184 4.6184 4.6185 4.6185 6.1023 6.1023 6.1023 6.1023 6.3342 6.3342 6.3342 6.3342 7.3660 7.3660 7.3660 7.3660 7.4594 7.4594 7.4594 7.4594 7.7112 7.7112 7.7112 7.7112 k = 0.4881 0.3093 0.5420 ( 11868 PWs) bands (ev): -21.7968 -21.7968 -21.7968 -21.7968 -21.6733 -21.6733 -21.6733 -21.6733 -21.6702 -21.6702 -21.6702 -21.6702 -8.8771 -8.8771 -8.8770 -8.8770 -8.5312 -8.5312 -8.5312 -8.5312 -8.3820 -8.3820 -8.3820 -8.3820 -7.2203 -7.2203 -7.2203 -7.2203 -6.7678 -6.7678 -6.7678 -6.7678 -6.4839 -6.4839 -6.4839 -6.4839 -6.3166 -6.3166 -6.3166 -6.3166 -6.2119 -6.2119 -6.2119 -6.2119 -6.0128 -6.0128 -6.0128 -6.0128 -4.4799 -4.4799 -4.4798 -4.4798 4.3558 4.3558 4.3559 4.3559 4.5210 4.5210 4.5211 4.5211 4.6182 4.6182 4.6183 4.6183 6.1039 6.1039 6.1039 6.1039 6.3352 6.3352 6.3352 6.3352 7.3377 7.3377 7.3377 7.3377 7.4819 7.4819 7.4819 7.4819 7.7114 7.7114 7.7114 7.7114 k = 0.4762 0.3299 0.5420 ( 11860 PWs) bands (ev): -21.7968 -21.7968 -21.7968 -21.7968 -21.6733 -21.6733 -21.6733 -21.6733 -21.6702 -21.6702 -21.6702 -21.6702 -8.8770 -8.8770 -8.8770 -8.8770 -8.5311 -8.5311 -8.5311 -8.5311 -8.3821 -8.3821 -8.3821 -8.3821 -7.2203 -7.2203 -7.2203 -7.2203 -6.7676 -6.7676 -6.7676 -6.7676 -6.4840 -6.4840 -6.4840 -6.4840 -6.3165 -6.3165 -6.3165 -6.3165 -6.2118 -6.2118 -6.2118 -6.2118 -6.0131 -6.0131 -6.0131 -6.0131 -4.4800 -4.4800 -4.4799 -4.4799 4.3579 4.3579 4.3580 4.3580 4.5194 4.5194 4.5195 4.5195 4.6175 4.6175 4.6177 4.6177 6.1086 6.1086 6.1087 6.1087 6.3382 6.3382 6.3382 6.3382 7.2839 7.2839 7.2839 7.2839 7.5175 7.5175 7.5175 7.5175 7.7111 7.7111 7.7111 7.7111 k = 0.4643 0.3505 0.5420 ( 11848 PWs) bands (ev): -21.7968 -21.7968 -21.7968 -21.7968 -21.6733 -21.6733 -21.6733 -21.6733 -21.6703 -21.6703 -21.6703 -21.6703 -8.8770 -8.8770 -8.8770 -8.8770 -8.5310 -8.5310 -8.5310 -8.5310 -8.3822 -8.3822 -8.3822 -8.3822 -7.2203 -7.2203 -7.2203 -7.2203 -6.7674 -6.7674 -6.7674 -6.7674 -6.4841 -6.4841 -6.4841 -6.4841 -6.3163 -6.3163 -6.3163 -6.3163 -6.2117 -6.2117 -6.2117 -6.2117 -6.0134 -6.0134 -6.0134 -6.0134 -4.4801 -4.4801 -4.4800 -4.4800 4.3614 4.3614 4.3615 4.3615 4.5167 4.5167 4.5168 4.5168 4.6165 4.6165 4.6167 4.6167 6.1165 6.1165 6.1165 6.1165 6.3432 6.3432 6.3432 6.3432 7.2236 7.2236 7.2236 7.2236 7.5466 7.5466 7.5466 7.5466 7.7090 7.7090 7.7091 7.7091 k = 0.4524 0.3712 0.5420 ( 11860 PWs) bands (ev): -21.7967 -21.7967 -21.7967 -21.7967 -21.6732 -21.6732 -21.6732 -21.6732 -21.6704 -21.6704 -21.6704 -21.6704 -8.8770 -8.8770 -8.8770 -8.8770 -8.5308 -8.5308 -8.5308 -8.5308 -8.3824 -8.3824 -8.3824 -8.3824 -7.2203 -7.2203 -7.2203 -7.2203 -6.7671 -6.7671 -6.7671 -6.7671 -6.4843 -6.4843 -6.4843 -6.4843 -6.3161 -6.3161 -6.3161 -6.3161 -6.2115 -6.2115 -6.2115 -6.2115 -6.0139 -6.0139 -6.0139 -6.0139 -4.4803 -4.4803 -4.4802 -4.4802 4.3661 4.3661 4.3662 4.3662 4.5130 4.5130 4.5132 4.5132 4.6152 4.6152 4.6153 4.6153 6.1274 6.1274 6.1274 6.1274 6.3500 6.3500 6.3500 6.3500 7.1609 7.1609 7.1609 7.1609 7.5664 7.5664 7.5664 7.5664 7.7050 7.7050 7.7050 7.7050 k = 0.4405 0.3918 0.5420 ( 11862 PWs) bands (ev): -21.7966 -21.7966 -21.7966 -21.7966 -21.6731 -21.6731 -21.6731 -21.6731 -21.6705 -21.6705 -21.6705 -21.6705 -8.8770 -8.8770 -8.8769 -8.8769 -8.5306 -8.5306 -8.5306 -8.5306 -8.3826 -8.3826 -8.3826 -8.3826 -7.2203 -7.2203 -7.2202 -7.2202 -6.7668 -6.7668 -6.7668 -6.7668 -6.4846 -6.4846 -6.4846 -6.4846 -6.3158 -6.3158 -6.3158 -6.3158 -6.2114 -6.2114 -6.2114 -6.2114 -6.0145 -6.0145 -6.0145 -6.0145 -4.4806 -4.4806 -4.4805 -4.4805 4.3721 4.3721 4.3722 4.3722 4.5085 4.5085 4.5086 4.5086 4.6135 4.6135 4.6136 4.6136 6.1412 6.1412 6.1413 6.1413 6.3585 6.3585 6.3585 6.3585 7.0973 7.0973 7.0973 7.0973 7.5786 7.5786 7.5786 7.5786 7.6993 7.6993 7.6993 7.6993 k = 0.4286 0.4124 0.5420 ( 11862 PWs) bands (ev): -21.7966 -21.7966 -21.7966 -21.7966 -21.6731 -21.6731 -21.6731 -21.6731 -21.6707 -21.6707 -21.6707 -21.6707 -8.8769 -8.8769 -8.8769 -8.8769 -8.5304 -8.5304 -8.5304 -8.5304 -8.3828 -8.3828 -8.3828 -8.3828 -7.2202 -7.2202 -7.2202 -7.2202 -6.7664 -6.7664 -6.7664 -6.7664 -6.4848 -6.4848 -6.4848 -6.4848 -6.3154 -6.3154 -6.3154 -6.3154 -6.2112 -6.2112 -6.2112 -6.2112 -6.0151 -6.0151 -6.0151 -6.0151 -4.4808 -4.4808 -4.4807 -4.4807 4.3790 4.3790 4.3791 4.3791 4.5032 4.5032 4.5033 4.5033 4.6117 4.6117 4.6118 4.6118 6.1579 6.1579 6.1579 6.1579 6.3685 6.3685 6.3685 6.3685 7.0337 7.0337 7.0337 7.0337 7.5861 7.5861 7.5861 7.5861 7.6925 7.6925 7.6925 7.6925 k = 0.4167 0.4330 0.5420 ( 11884 PWs) bands (ev): -21.7965 -21.7965 -21.7965 -21.7965 -21.6730 -21.6730 -21.6730 -21.6730 -21.6708 -21.6708 -21.6708 -21.6708 -8.8769 -8.8769 -8.8769 -8.8769 -8.5301 -8.5301 -8.5301 -8.5301 -8.3831 -8.3831 -8.3831 -8.3831 -7.2202 -7.2202 -7.2202 -7.2202 -6.7659 -6.7659 -6.7659 -6.7659 -6.4851 -6.4851 -6.4851 -6.4851 -6.3151 -6.3151 -6.3151 -6.3151 -6.2110 -6.2110 -6.2110 -6.2110 -6.0158 -6.0158 -6.0158 -6.0158 -4.4811 -4.4811 -4.4810 -4.4810 4.3869 4.3869 4.3870 4.3870 4.4971 4.4971 4.4973 4.4973 4.6097 4.6097 4.6098 4.6098 6.1772 6.1772 6.1772 6.1772 6.3796 6.3796 6.3796 6.3796 6.9707 6.9707 6.9707 6.9707 7.5909 7.5909 7.5909 7.5909 7.6847 7.6847 7.6847 7.6847 k = 0.4048 0.4536 0.5420 ( 11896 PWs) bands (ev): -21.7964 -21.7964 -21.7964 -21.7964 -21.6729 -21.6729 -21.6729 -21.6729 -21.6710 -21.6710 -21.6710 -21.6710 -8.8769 -8.8769 -8.8769 -8.8769 -8.5299 -8.5299 -8.5299 -8.5299 -8.3833 -8.3833 -8.3833 -8.3833 -7.2202 -7.2202 -7.2202 -7.2202 -6.7655 -6.7655 -6.7655 -6.7655 -6.4854 -6.4854 -6.4854 -6.4854 -6.3147 -6.3147 -6.3147 -6.3147 -6.2108 -6.2108 -6.2108 -6.2108 -6.0166 -6.0166 -6.0166 -6.0166 -4.4814 -4.4814 -4.4813 -4.4813 4.3954 4.3954 4.3955 4.3955 4.4906 4.4906 4.4907 4.4907 4.6077 4.6077 4.6079 4.6079 6.1989 6.1989 6.1990 6.1990 6.3913 6.3913 6.3913 6.3913 6.9089 6.9089 6.9089 6.9089 7.5945 7.5945 7.5945 7.5945 7.6764 7.6764 7.6764 7.6764 k = 0.3929 0.4743 0.5420 ( 11900 PWs) bands (ev): -21.7963 -21.7963 -21.7963 -21.7963 -21.6728 -21.6728 -21.6728 -21.6728 -21.6712 -21.6712 -21.6712 -21.6712 -8.8769 -8.8769 -8.8768 -8.8768 -8.5296 -8.5296 -8.5296 -8.5296 -8.3836 -8.3836 -8.3836 -8.3836 -7.2202 -7.2202 -7.2201 -7.2201 -6.7650 -6.7650 -6.7650 -6.7650 -6.4856 -6.4856 -6.4856 -6.4856 -6.3144 -6.3144 -6.3144 -6.3144 -6.2106 -6.2106 -6.2106 -6.2106 -6.0173 -6.0173 -6.0173 -6.0173 -4.4817 -4.4817 -4.4816 -4.4816 4.4044 4.4044 4.4045 4.4045 4.4838 4.4838 4.4839 4.4839 4.6058 4.6058 4.6059 4.6059 6.2230 6.2230 6.2231 6.2231 6.4028 6.4028 6.4028 6.4028 6.8493 6.8493 6.8493 6.8493 7.5976 7.5976 7.5976 7.5976 7.6678 7.6678 7.6679 7.6679 k = 0.3810 0.4949 0.5420 ( 11898 PWs) bands (ev): -21.7962 -21.7962 -21.7962 -21.7962 -21.6727 -21.6727 -21.6727 -21.6727 -21.6714 -21.6714 -21.6714 -21.6714 -8.8768 -8.8768 -8.8768 -8.8768 -8.5294 -8.5294 -8.5294 -8.5294 -8.3838 -8.3838 -8.3838 -8.3838 -7.2201 -7.2201 -7.2201 -7.2201 -6.7646 -6.7646 -6.7646 -6.7646 -6.4859 -6.4859 -6.4859 -6.4859 -6.3140 -6.3140 -6.3140 -6.3140 -6.2104 -6.2104 -6.2104 -6.2104 -6.0180 -6.0180 -6.0180 -6.0180 -4.4820 -4.4820 -4.4819 -4.4819 4.4135 4.4135 4.4137 4.4137 4.4767 4.4767 4.4768 4.4768 4.6040 4.6040 4.6042 4.6042 6.2493 6.2493 6.2493 6.2493 6.4127 6.4127 6.4127 6.4127 6.7935 6.7935 6.7935 6.7935 7.6008 7.6008 7.6008 7.6008 7.6594 7.6594 7.6594 7.6594 k = 0.3690 0.5155 0.5420 ( 11872 PWs) bands (ev): -21.7962 -21.7962 -21.7962 -21.7962 -21.6726 -21.6726 -21.6726 -21.6726 -21.6716 -21.6716 -21.6716 -21.6716 -8.8768 -8.8768 -8.8768 -8.8768 -8.5292 -8.5292 -8.5292 -8.5292 -8.3840 -8.3840 -8.3840 -8.3840 -7.2201 -7.2201 -7.2201 -7.2201 -6.7642 -6.7642 -6.7642 -6.7642 -6.4861 -6.4861 -6.4861 -6.4861 -6.3137 -6.3137 -6.3137 -6.3137 -6.2102 -6.2102 -6.2102 -6.2102 -6.0186 -6.0186 -6.0186 -6.0186 -4.4822 -4.4822 -4.4821 -4.4821 4.4226 4.4226 4.4227 4.4227 4.4696 4.4696 4.4697 4.4697 4.6026 4.6026 4.6027 4.6027 6.2776 6.2776 6.2776 6.2776 6.4187 6.4187 6.4187 6.4187 6.7439 6.7439 6.7439 6.7439 7.6044 7.6044 7.6044 7.6044 7.6513 7.6513 7.6513 7.6513 k = 0.3571 0.5361 0.5420 ( 11884 PWs) bands (ev): -21.7961 -21.7961 -21.7961 -21.7961 -21.6724 -21.6724 -21.6724 -21.6724 -21.6718 -21.6718 -21.6718 -21.6718 -8.8768 -8.8768 -8.8768 -8.8768 -8.5290 -8.5290 -8.5290 -8.5290 -8.3842 -8.3842 -8.3842 -8.3842 -7.2201 -7.2201 -7.2200 -7.2200 -6.7639 -6.7639 -6.7639 -6.7639 -6.4863 -6.4863 -6.4863 -6.4863 -6.3135 -6.3135 -6.3135 -6.3135 -6.2101 -6.2101 -6.2101 -6.2101 -6.0191 -6.0191 -6.0191 -6.0191 -4.4824 -4.4824 -4.4823 -4.4823 4.4310 4.4310 4.4311 4.4311 4.4628 4.4628 4.4629 4.4629 4.6014 4.6014 4.6015 4.6015 6.3075 6.3075 6.3076 6.3076 6.4171 6.4171 6.4171 6.4171 6.7044 6.7044 6.7044 6.7044 7.6081 7.6081 7.6082 7.6082 7.6441 7.6441 7.6441 7.6441 k = 0.3452 0.5567 0.5420 ( 11892 PWs) bands (ev): -21.7961 -21.7961 -21.7961 -21.7961 -21.6723 -21.6723 -21.6723 -21.6723 -21.6720 -21.6720 -21.6720 -21.6720 -8.8768 -8.8768 -8.8768 -8.8768 -8.5289 -8.5289 -8.5289 -8.5289 -8.3843 -8.3843 -8.3843 -8.3843 -7.2201 -7.2201 -7.2200 -7.2200 -6.7637 -6.7637 -6.7637 -6.7637 -6.4864 -6.4864 -6.4864 -6.4864 -6.3133 -6.3133 -6.3133 -6.3133 -6.2101 -6.2101 -6.2101 -6.2101 -6.0194 -6.0194 -6.0194 -6.0194 -4.4825 -4.4825 -4.4824 -4.4824 4.4381 4.4381 4.4382 4.4382 4.4568 4.4568 4.4569 4.4569 4.6007 4.6007 4.6008 4.6008 6.3387 6.3387 6.3387 6.3387 6.4040 6.4040 6.4041 6.4041 6.6796 6.6796 6.6796 6.6796 7.6115 7.6115 7.6115 7.6115 7.6386 7.6386 7.6387 7.6387 k = 0.3333 0.5774 0.5420 ( 11904 PWs) bands (ev): -21.7961 -21.7961 -21.7961 -21.7961 -21.6722 -21.6722 -21.6722 -21.6722 -21.6721 -21.6721 -21.6721 -21.6721 -8.8768 -8.8768 -8.8768 -8.8768 -8.5289 -8.5289 -8.5289 -8.5289 -8.3843 -8.3843 -8.3843 -8.3843 -7.2201 -7.2201 -7.2200 -7.2200 -6.7637 -6.7637 -6.7637 -6.7637 -6.4864 -6.4864 -6.4864 -6.4864 -6.3133 -6.3133 -6.3133 -6.3133 -6.2101 -6.2101 -6.2101 -6.2101 -6.0195 -6.0195 -6.0195 -6.0195 -4.4825 -4.4825 -4.4824 -4.4824 4.4414 4.4414 4.4416 4.4416 4.4538 4.4538 4.4539 4.4539 4.6005 4.6005 4.6006 4.6006 6.3631 6.3631 6.3631 6.3631 6.3853 6.3853 6.3853 6.3853 6.6716 6.6716 6.6716 6.6716 7.6130 7.6130 7.6130 7.6130 7.6365 7.6365 7.6365 7.6365 k = 0.3333 0.5774 0.5420 ( 11904 PWs) bands (ev): -21.7961 -21.7961 -21.7961 -21.7961 -21.6722 -21.6722 -21.6722 -21.6722 -21.6721 -21.6721 -21.6721 -21.6721 -8.8768 -8.8768 -8.8768 -8.8768 -8.5289 -8.5289 -8.5289 -8.5289 -8.3843 -8.3843 -8.3843 -8.3843 -7.2201 -7.2201 -7.2200 -7.2200 -6.7637 -6.7637 -6.7637 -6.7637 -6.4864 -6.4864 -6.4864 -6.4864 -6.3133 -6.3133 -6.3133 -6.3133 -6.2101 -6.2101 -6.2101 -6.2101 -6.0195 -6.0195 -6.0195 -6.0195 -4.4825 -4.4825 -4.4824 -4.4824 4.4414 4.4414 4.4416 4.4416 4.4538 4.4538 4.4539 4.4539 4.6005 4.6005 4.6006 4.6006 6.3631 6.3631 6.3631 6.3631 6.3853 6.3853 6.3853 6.3853 6.6716 6.6716 6.6716 6.6716 7.6130 7.6130 7.6130 7.6130 7.6365 7.6365 7.6365 7.6365 k = 0.3214 0.5567 0.5420 ( 11900 PWs) bands (ev): -21.7961 -21.7961 -21.7961 -21.7961 -21.6723 -21.6723 -21.6723 -21.6723 -21.6720 -21.6720 -21.6720 -21.6720 -8.8768 -8.8768 -8.8768 -8.8768 -8.5289 -8.5289 -8.5289 -8.5289 -8.3843 -8.3843 -8.3843 -8.3843 -7.2201 -7.2201 -7.2200 -7.2200 -6.7637 -6.7637 -6.7637 -6.7637 -6.4864 -6.4864 -6.4864 -6.4864 -6.3133 -6.3133 -6.3133 -6.3133 -6.2101 -6.2101 -6.2101 -6.2101 -6.0194 -6.0194 -6.0194 -6.0194 -4.4825 -4.4825 -4.4824 -4.4824 4.4386 4.4386 4.4387 4.4387 4.4562 4.4562 4.4563 4.4563 4.6007 4.6007 4.6008 4.6008 6.3332 6.3332 6.3332 6.3332 6.4109 6.4109 6.4109 6.4109 6.6783 6.6783 6.6783 6.6783 7.6116 7.6116 7.6116 7.6116 7.6386 7.6386 7.6386 7.6386 k = 0.3095 0.5361 0.5420 ( 11896 PWs) bands (ev): -21.7961 -21.7961 -21.7961 -21.7961 -21.6724 -21.6724 -21.6724 -21.6724 -21.6718 -21.6718 -21.6718 -21.6718 -8.8768 -8.8768 -8.8768 -8.8768 -8.5291 -8.5291 -8.5290 -8.5290 -8.3842 -8.3842 -8.3842 -8.3842 -7.2201 -7.2201 -7.2200 -7.2200 -6.7640 -6.7640 -6.7640 -6.7640 -6.4862 -6.4862 -6.4862 -6.4862 -6.3135 -6.3135 -6.3135 -6.3135 -6.2101 -6.2101 -6.2101 -6.2101 -6.0190 -6.0190 -6.0190 -6.0190 -4.4824 -4.4824 -4.4823 -4.4823 4.4337 4.4337 4.4338 4.4338 4.4597 4.4597 4.4598 4.4598 4.6013 4.6013 4.6014 4.6014 6.2875 6.2875 6.2875 6.2875 6.4465 6.4465 6.4465 6.4465 6.6956 6.6956 6.6956 6.6956 7.6084 7.6084 7.6084 7.6084 7.6436 7.6436 7.6436 7.6436 k = 0.2976 0.5155 0.5420 ( 11900 PWs) bands (ev): -21.7962 -21.7962 -21.7962 -21.7962 -21.6725 -21.6725 -21.6725 -21.6725 -21.6716 -21.6716 -21.6716 -21.6716 -8.8768 -8.8768 -8.8768 -8.8768 -8.5293 -8.5293 -8.5293 -8.5293 -8.3839 -8.3839 -8.3839 -8.3839 -7.2201 -7.2201 -7.2201 -7.2201 -6.7644 -6.7644 -6.7644 -6.7644 -6.4860 -6.4860 -6.4860 -6.4860 -6.3139 -6.3139 -6.3139 -6.3139 -6.2102 -6.2102 -6.2102 -6.2102 -6.0183 -6.0183 -6.0183 -6.0183 -4.4821 -4.4821 -4.4820 -4.4820 4.4286 4.4286 4.4287 4.4287 4.4624 4.4624 4.4625 4.4625 4.6021 4.6021 4.6022 4.6022 6.2377 6.2377 6.2377 6.2377 6.4839 6.4839 6.4839 6.4839 6.7202 6.7202 6.7202 6.7202 7.6051 7.6051 7.6051 7.6051 7.6498 7.6498 7.6498 7.6498 k = 0.2857 0.4949 0.5420 ( 11892 PWs) bands (ev): -21.7963 -21.7963 -21.7963 -21.7963 -21.6725 -21.6725 -21.6725 -21.6725 -21.6715 -21.6715 -21.6715 -21.6715 -8.8768 -8.8768 -8.8768 -8.8768 -8.5296 -8.5296 -8.5296 -8.5296 -8.3836 -8.3836 -8.3836 -8.3836 -7.2202 -7.2202 -7.2201 -7.2201 -6.7651 -6.7651 -6.7651 -6.7651 -6.4857 -6.4857 -6.4857 -6.4857 -6.3144 -6.3144 -6.3144 -6.3144 -6.2104 -6.2104 -6.2104 -6.2104 -6.0173 -6.0173 -6.0173 -6.0173 -4.4818 -4.4818 -4.4817 -4.4817 4.4240 4.4240 4.4241 4.4241 4.4637 4.4637 4.4638 4.4638 4.6028 4.6028 4.6029 4.6029 6.1866 6.1866 6.1867 6.1867 6.5227 6.5227 6.5227 6.5227 6.7501 6.7501 6.7501 6.7501 7.6021 7.6021 7.6022 7.6022 7.6563 7.6563 7.6564 7.6564 k = 0.2738 0.4743 0.5420 ( 11900 PWs) bands (ev): -21.7965 -21.7965 -21.7965 -21.7965 -21.6726 -21.6726 -21.6726 -21.6726 -21.6713 -21.6713 -21.6713 -21.6713 -8.8768 -8.8768 -8.8768 -8.8768 -8.5301 -8.5301 -8.5301 -8.5301 -8.3832 -8.3832 -8.3832 -8.3832 -7.2202 -7.2202 -7.2202 -7.2202 -6.7659 -6.7659 -6.7659 -6.7659 -6.4853 -6.4853 -6.4853 -6.4853 -6.3152 -6.3152 -6.3152 -6.3152 -6.2105 -6.2105 -6.2105 -6.2105 -6.0159 -6.0159 -6.0159 -6.0159 -4.4813 -4.4813 -4.4812 -4.4812 4.4199 4.4199 4.4200 4.4200 4.4635 4.4635 4.4636 4.4636 4.6031 4.6031 4.6033 4.6033 6.1360 6.1360 6.1360 6.1360 6.5625 6.5625 6.5625 6.5625 6.7841 6.7841 6.7841 6.7841 7.5999 7.5999 7.5999 7.5999 7.6627 7.6627 7.6627 7.6627 k = 0.2619 0.4536 0.5420 ( 11876 PWs) bands (ev): -21.7966 -21.7966 -21.7966 -21.7966 -21.6725 -21.6725 -21.6725 -21.6725 -21.6711 -21.6711 -21.6711 -21.6711 -8.8768 -8.8768 -8.8768 -8.8768 -8.5306 -8.5306 -8.5306 -8.5306 -8.3827 -8.3827 -8.3827 -8.3827 -7.2203 -7.2203 -7.2203 -7.2203 -6.7670 -6.7670 -6.7670 -6.7670 -6.4847 -6.4847 -6.4847 -6.4847 -6.3161 -6.3161 -6.3161 -6.3161 -6.2107 -6.2107 -6.2107 -6.2107 -6.0142 -6.0142 -6.0142 -6.0142 -4.4808 -4.4808 -4.4807 -4.4807 4.4163 4.4163 4.4165 4.4165 4.4621 4.4621 4.4622 4.4622 4.6028 4.6028 4.6029 4.6029 6.0868 6.0868 6.0868 6.0868 6.6034 6.6034 6.6034 6.6034 6.8215 6.8215 6.8216 6.8216 7.5984 7.5984 7.5985 7.5985 7.6687 7.6687 7.6687 7.6687 k = 0.2500 0.4330 0.5420 ( 11868 PWs) bands (ev): -21.7969 -21.7969 -21.7969 -21.7969 -21.6725 -21.6725 -21.6725 -21.6725 -21.6709 -21.6709 -21.6709 -21.6709 -8.8768 -8.8768 -8.8768 -8.8768 -8.5313 -8.5313 -8.5313 -8.5313 -8.3821 -8.3821 -8.3821 -8.3821 -7.2204 -7.2204 -7.2204 -7.2204 -6.7683 -6.7683 -6.7683 -6.7683 -6.4841 -6.4841 -6.4841 -6.4841 -6.3172 -6.3172 -6.3172 -6.3172 -6.2108 -6.2108 -6.2108 -6.2108 -6.0121 -6.0121 -6.0121 -6.0121 -4.4801 -4.4801 -4.4800 -4.4800 4.4134 4.4134 4.4136 4.4136 4.4593 4.4593 4.4594 4.4594 4.6013 4.6013 4.6014 4.6014 6.0398 6.0398 6.0398 6.0398 6.6451 6.6451 6.6451 6.6451 6.8619 6.8619 6.8619 6.8619 7.5977 7.5977 7.5977 7.5977 7.6741 7.6741 7.6741 7.6741 k = 0.2381 0.4124 0.5420 ( 11866 PWs) bands (ev): -21.7971 -21.7971 -21.7971 -21.7971 -21.6724 -21.6724 -21.6724 -21.6724 -21.6708 -21.6708 -21.6708 -21.6708 -8.8768 -8.8768 -8.8768 -8.8768 -8.5320 -8.5320 -8.5320 -8.5320 -8.3815 -8.3815 -8.3815 -8.3815 -7.2206 -7.2206 -7.2205 -7.2205 -6.7698 -6.7698 -6.7698 -6.7698 -6.4833 -6.4833 -6.4833 -6.4833 -6.3185 -6.3185 -6.3185 -6.3185 -6.2110 -6.2110 -6.2110 -6.2110 -6.0097 -6.0097 -6.0097 -6.0097 -4.4793 -4.4793 -4.4792 -4.4792 4.4111 4.4111 4.4112 4.4112 4.4554 4.4554 4.4555 4.4555 4.5985 4.5985 4.5986 4.5986 5.9956 5.9956 5.9956 5.9956 6.6876 6.6876 6.6876 6.6876 6.9049 6.9049 6.9049 6.9049 7.5976 7.5976 7.5977 7.5977 7.6790 7.6790 7.6790 7.6790 k = 0.2262 0.3918 0.5420 ( 11850 PWs) bands (ev): -21.7974 -21.7974 -21.7974 -21.7974 -21.6723 -21.6723 -21.6723 -21.6723 -21.6706 -21.6706 -21.6706 -21.6706 -8.8768 -8.8768 -8.8768 -8.8768 -8.5328 -8.5328 -8.5328 -8.5328 -8.3807 -8.3807 -8.3807 -8.3807 -7.2207 -7.2207 -7.2207 -7.2207 -6.7715 -6.7715 -6.7715 -6.7715 -6.4825 -6.4825 -6.4825 -6.4825 -6.3201 -6.3201 -6.3201 -6.3201 -6.2112 -6.2112 -6.2112 -6.2112 -6.0070 -6.0070 -6.0070 -6.0070 -4.4785 -4.4785 -4.4784 -4.4784 4.4094 4.4094 4.4095 4.4095 4.4505 4.4505 4.4506 4.4506 4.5941 4.5941 4.5943 4.5943 5.9546 5.9546 5.9547 5.9547 6.7306 6.7306 6.7307 6.7307 6.9503 6.9503 6.9503 6.9503 7.5981 7.5981 7.5981 7.5981 7.6835 7.6835 7.6835 7.6835 k = 0.2143 0.3712 0.5420 ( 11848 PWs) bands (ev): -21.7977 -21.7977 -21.7977 -21.7977 -21.6721 -21.6721 -21.6721 -21.6721 -21.6704 -21.6704 -21.6704 -21.6704 -8.8768 -8.8768 -8.8768 -8.8768 -8.5338 -8.5338 -8.5338 -8.5338 -8.3799 -8.3799 -8.3799 -8.3799 -7.2209 -7.2209 -7.2209 -7.2209 -6.7733 -6.7733 -6.7733 -6.7733 -6.4816 -6.4816 -6.4816 -6.4816 -6.3218 -6.3218 -6.3218 -6.3218 -6.2113 -6.2113 -6.2113 -6.2113 -6.0040 -6.0040 -6.0040 -6.0040 -4.4775 -4.4775 -4.4774 -4.4774 4.4082 4.4082 4.4083 4.4083 4.4447 4.4447 4.4448 4.4448 4.5881 4.5881 4.5882 4.5882 5.9172 5.9172 5.9173 5.9173 6.7742 6.7742 6.7742 6.7742 6.9977 6.9977 6.9978 6.9978 7.5991 7.5991 7.5991 7.5991 7.6878 7.6878 7.6878 7.6878 k = 0.2024 0.3505 0.5420 ( 11852 PWs) bands (ev): -21.7980 -21.7980 -21.7980 -21.7980 -21.6720 -21.6720 -21.6720 -21.6720 -21.6703 -21.6703 -21.6703 -21.6703 -8.8768 -8.8768 -8.8768 -8.8768 -8.5348 -8.5348 -8.5348 -8.5348 -8.3791 -8.3791 -8.3791 -8.3791 -7.2211 -7.2211 -7.2211 -7.2211 -6.7754 -6.7754 -6.7754 -6.7754 -6.4806 -6.4806 -6.4806 -6.4806 -6.3237 -6.3237 -6.3237 -6.3237 -6.2114 -6.2114 -6.2114 -6.2114 -6.0006 -6.0006 -6.0006 -6.0006 -4.4765 -4.4765 -4.4764 -4.4764 4.4073 4.4073 4.4074 4.4074 4.4382 4.4382 4.4383 4.4383 4.5804 4.5804 4.5805 4.5805 5.8836 5.8836 5.8836 5.8836 6.8180 6.8180 6.8180 6.8180 7.0470 7.0470 7.0470 7.0470 7.6003 7.6003 7.6004 7.6004 7.6921 7.6921 7.6921 7.6921 k = 0.1905 0.3299 0.5420 ( 11840 PWs) bands (ev): -21.7984 -21.7984 -21.7984 -21.7984 -21.6718 -21.6718 -21.6718 -21.6718 -21.6701 -21.6701 -21.6701 -21.6701 -8.8767 -8.8767 -8.8767 -8.8767 -8.5358 -8.5358 -8.5358 -8.5358 -8.3782 -8.3782 -8.3782 -8.3782 -7.2214 -7.2214 -7.2213 -7.2213 -6.7775 -6.7775 -6.7775 -6.7775 -6.4795 -6.4795 -6.4795 -6.4795 -6.3257 -6.3257 -6.3257 -6.3257 -6.2116 -6.2116 -6.2116 -6.2116 -5.9971 -5.9971 -5.9971 -5.9971 -4.4755 -4.4755 -4.4753 -4.4753 4.4065 4.4065 4.4067 4.4067 4.4311 4.4311 4.4312 4.4312 4.5711 4.5711 4.5712 4.5712 5.8538 5.8538 5.8538 5.8538 6.8619 6.8619 6.8619 6.8619 7.0977 7.0977 7.0977 7.0977 7.6019 7.6019 7.6019 7.6019 7.6967 7.6967 7.6967 7.6967 k = 0.1786 0.3093 0.5420 ( 11828 PWs) bands (ev): -21.7987 -21.7987 -21.7987 -21.7987 -21.6715 -21.6715 -21.6715 -21.6715 -21.6699 -21.6699 -21.6699 -21.6699 -8.8767 -8.8767 -8.8767 -8.8767 -8.5369 -8.5369 -8.5369 -8.5369 -8.3772 -8.3772 -8.3772 -8.3772 -7.2216 -7.2216 -7.2216 -7.2216 -6.7798 -6.7798 -6.7798 -6.7798 -6.4783 -6.4783 -6.4783 -6.4783 -6.3279 -6.3279 -6.3279 -6.3279 -6.2117 -6.2117 -6.2117 -6.2117 -5.9933 -5.9933 -5.9933 -5.9933 -4.4743 -4.4743 -4.4742 -4.4742 4.4053 4.4053 4.4054 4.4054 4.4242 4.4242 4.4243 4.4243 4.5605 4.5605 4.5606 4.5606 5.8278 5.8278 5.8279 5.8279 6.9056 6.9056 6.9057 6.9057 7.1495 7.1495 7.1496 7.1496 7.6036 7.6036 7.6036 7.6036 7.7018 7.7018 7.7018 7.7018 k = 0.1667 0.2887 0.5420 ( 11840 PWs) bands (ev): -21.7991 -21.7991 -21.7991 -21.7991 -21.6713 -21.6713 -21.6713 -21.6713 -21.6698 -21.6698 -21.6698 -21.6698 -8.8766 -8.8766 -8.8766 -8.8766 -8.5381 -8.5381 -8.5381 -8.5381 -8.3763 -8.3763 -8.3763 -8.3763 -7.2219 -7.2219 -7.2218 -7.2218 -6.7821 -6.7821 -6.7821 -6.7821 -6.4771 -6.4771 -6.4771 -6.4771 -6.3302 -6.3302 -6.3302 -6.3302 -6.2118 -6.2118 -6.2118 -6.2118 -5.9894 -5.9894 -5.9894 -5.9894 -4.4732 -4.4732 -4.4731 -4.4731 4.4019 4.4019 4.4020 4.4020 4.4190 4.4190 4.4191 4.4191 4.5487 4.5487 4.5488 4.5488 5.8056 5.8056 5.8056 5.8056 6.9489 6.9489 6.9489 6.9489 7.2020 7.2020 7.2020 7.2020 7.6055 7.6055 7.6055 7.6055 7.7077 7.7077 7.7077 7.7077 k = 0.1548 0.2681 0.5420 ( 11836 PWs) bands (ev): -21.7995 -21.7995 -21.7995 -21.7995 -21.6710 -21.6710 -21.6710 -21.6710 -21.6696 -21.6696 -21.6696 -21.6696 -8.8765 -8.8765 -8.8765 -8.8765 -8.5392 -8.5392 -8.5392 -8.5392 -8.3754 -8.3754 -8.3754 -8.3754 -7.2222 -7.2222 -7.2221 -7.2221 -6.7845 -6.7845 -6.7845 -6.7845 -6.4759 -6.4759 -6.4759 -6.4759 -6.3325 -6.3325 -6.3325 -6.3325 -6.2119 -6.2119 -6.2119 -6.2119 -5.9854 -5.9854 -5.9854 -5.9854 -4.4720 -4.4720 -4.4719 -4.4719 4.3950 4.3950 4.3951 4.3951 4.4169 4.4169 4.4170 4.4170 4.5363 4.5363 4.5364 4.5364 5.7869 5.7869 5.7869 5.7869 6.9913 6.9913 6.9913 6.9913 7.2544 7.2544 7.2544 7.2544 7.6077 7.6077 7.6077 7.6077 7.7146 7.7146 7.7146 7.7146 k = 0.1429 0.2474 0.5420 ( 11848 PWs) bands (ev): -21.7999 -21.7999 -21.7999 -21.7999 -21.6707 -21.6707 -21.6707 -21.6707 -21.6695 -21.6695 -21.6695 -21.6695 -8.8765 -8.8765 -8.8764 -8.8764 -8.5404 -8.5404 -8.5404 -8.5404 -8.3744 -8.3744 -8.3744 -8.3744 -7.2225 -7.2225 -7.2224 -7.2224 -6.7869 -6.7869 -6.7869 -6.7869 -6.4746 -6.4746 -6.4746 -6.4746 -6.3350 -6.3350 -6.3350 -6.3350 -6.2120 -6.2120 -6.2120 -6.2120 -5.9813 -5.9813 -5.9813 -5.9813 -4.4708 -4.4708 -4.4707 -4.4707 4.3856 4.3856 4.3856 4.3856 4.4169 4.4169 4.4170 4.4170 4.5235 4.5235 4.5236 4.5236 5.7715 5.7715 5.7715 5.7715 7.0325 7.0325 7.0325 7.0325 7.3062 7.3062 7.3062 7.3062 7.6106 7.6106 7.6106 7.6106 7.7227 7.7227 7.7227 7.7227 k = 0.1310 0.2268 0.5420 ( 11854 PWs) bands (ev): -21.8003 -21.8003 -21.8003 -21.8003 -21.6705 -21.6705 -21.6705 -21.6705 -21.6693 -21.6693 -21.6693 -21.6693 -8.8764 -8.8764 -8.8763 -8.8763 -8.5415 -8.5415 -8.5415 -8.5415 -8.3735 -8.3735 -8.3735 -8.3735 -7.2228 -7.2228 -7.2227 -7.2227 -6.7892 -6.7892 -6.7892 -6.7892 -6.4733 -6.4733 -6.4733 -6.4733 -6.3374 -6.3374 -6.3374 -6.3374 -6.2121 -6.2121 -6.2121 -6.2121 -5.9773 -5.9773 -5.9773 -5.9773 -4.4697 -4.4697 -4.4696 -4.4696 4.3747 4.3747 4.3748 4.3748 4.4178 4.4178 4.4179 4.4179 4.5109 4.5109 4.5110 4.5110 5.7590 5.7590 5.7590 5.7590 7.0720 7.0720 7.0720 7.0720 7.3564 7.3564 7.3564 7.3564 7.6144 7.6144 7.6144 7.6144 7.7324 7.7324 7.7324 7.7324 k = 0.1190 0.2062 0.5420 ( 11850 PWs) bands (ev): -21.8007 -21.8007 -21.8007 -21.8007 -21.6702 -21.6702 -21.6702 -21.6702 -21.6692 -21.6692 -21.6692 -21.6692 -8.8763 -8.8763 -8.8762 -8.8762 -8.5426 -8.5426 -8.5426 -8.5426 -8.3727 -8.3727 -8.3727 -8.3727 -7.2231 -7.2231 -7.2230 -7.2230 -6.7914 -6.7914 -6.7914 -6.7914 -6.4720 -6.4720 -6.4720 -6.4720 -6.3398 -6.3398 -6.3398 -6.3398 -6.2121 -6.2121 -6.2121 -6.2121 -5.9734 -5.9734 -5.9734 -5.9734 -4.4686 -4.4686 -4.4684 -4.4684 4.3631 4.3631 4.3632 4.3632 4.4192 4.4192 4.4193 4.4193 4.4988 4.4988 4.4989 4.4989 5.7491 5.7491 5.7491 5.7491 7.1093 7.1093 7.1093 7.1093 7.4038 7.4038 7.4039 7.4039 7.6199 7.6199 7.6200 7.6200 7.7437 7.7437 7.7437 7.7437 k = 0.1071 0.1856 0.5420 ( 11862 PWs) bands (ev): -21.8010 -21.8010 -21.8010 -21.8010 -21.6699 -21.6699 -21.6699 -21.6699 -21.6691 -21.6691 -21.6691 -21.6691 -8.8761 -8.8761 -8.8761 -8.8761 -8.5436 -8.5436 -8.5436 -8.5436 -8.3719 -8.3719 -8.3719 -8.3719 -7.2234 -7.2234 -7.2233 -7.2233 -6.7936 -6.7936 -6.7936 -6.7936 -6.4708 -6.4708 -6.4708 -6.4708 -6.3421 -6.3421 -6.3421 -6.3421 -6.2122 -6.2122 -6.2122 -6.2122 -5.9696 -5.9696 -5.9696 -5.9696 -4.4675 -4.4675 -4.4674 -4.4674 4.3511 4.3511 4.3512 4.3512 4.4207 4.4207 4.4208 4.4208 4.4875 4.4875 4.4876 4.4876 5.7414 5.7414 5.7414 5.7414 7.1439 7.1439 7.1439 7.1439 7.4471 7.4471 7.4471 7.4471 7.6279 7.6279 7.6279 7.6279 7.7571 7.7571 7.7571 7.7571 k = 0.0952 0.1650 0.5420 ( 11874 PWs) bands (ev): -21.8014 -21.8014 -21.8014 -21.8014 -21.6697 -21.6697 -21.6697 -21.6697 -21.6690 -21.6690 -21.6690 -21.6690 -8.8760 -8.8760 -8.8760 -8.8760 -8.5446 -8.5446 -8.5446 -8.5446 -8.3711 -8.3711 -8.3711 -8.3711 -7.2237 -7.2237 -7.2236 -7.2236 -6.7956 -6.7956 -6.7956 -6.7956 -6.4695 -6.4695 -6.4695 -6.4695 -6.3444 -6.3444 -6.3444 -6.3444 -6.2123 -6.2123 -6.2123 -6.2123 -5.9661 -5.9661 -5.9661 -5.9661 -4.4665 -4.4665 -4.4664 -4.4664 4.3391 4.3391 4.3392 4.3392 4.4223 4.4223 4.4224 4.4224 4.4772 4.4772 4.4773 4.4773 5.7356 5.7356 5.7356 5.7356 7.1753 7.1753 7.1754 7.1754 7.4844 7.4844 7.4845 7.4845 7.6391 7.6391 7.6392 7.6392 7.7729 7.7729 7.7729 7.7729 k = 0.0833 0.1443 0.5420 ( 11870 PWs) bands (ev): -21.8017 -21.8017 -21.8017 -21.8017 -21.6695 -21.6695 -21.6695 -21.6695 -21.6689 -21.6689 -21.6689 -21.6689 -8.8759 -8.8759 -8.8759 -8.8759 -8.5455 -8.5455 -8.5455 -8.5455 -8.3705 -8.3705 -8.3705 -8.3705 -7.2239 -7.2239 -7.2239 -7.2239 -6.7974 -6.7974 -6.7974 -6.7974 -6.4684 -6.4684 -6.4684 -6.4684 -6.3465 -6.3465 -6.3465 -6.3465 -6.2123 -6.2123 -6.2123 -6.2123 -5.9628 -5.9628 -5.9628 -5.9628 -4.4655 -4.4655 -4.4654 -4.4654 4.3274 4.3274 4.3275 4.3275 4.4237 4.4237 4.4238 4.4238 4.4682 4.4682 4.4683 4.4683 5.7314 5.7314 5.7314 5.7314 7.2031 7.2031 7.2031 7.2031 7.5149 7.5149 7.5149 7.5149 7.6538 7.6538 7.6539 7.6539 7.7912 7.7912 7.7912 7.7912 k = 0.0714 0.1237 0.5420 ( 11878 PWs) bands (ev): -21.8020 -21.8020 -21.8020 -21.8020 -21.6692 -21.6692 -21.6692 -21.6692 -21.6688 -21.6688 -21.6688 -21.6688 -8.8758 -8.8758 -8.8758 -8.8758 -8.5463 -8.5463 -8.5463 -8.5463 -8.3699 -8.3699 -8.3698 -8.3698 -7.2242 -7.2242 -7.2242 -7.2242 -6.7991 -6.7991 -6.7991 -6.7991 -6.4673 -6.4673 -6.4673 -6.4673 -6.3484 -6.3484 -6.3484 -6.3484 -6.2124 -6.2124 -6.2124 -6.2124 -5.9598 -5.9598 -5.9598 -5.9598 -4.4647 -4.4647 -4.4646 -4.4646 4.3164 4.3164 4.3164 4.3164 4.4248 4.4248 4.4249 4.4249 4.4606 4.4606 4.4607 4.4607 5.7284 5.7284 5.7284 5.7284 7.2269 7.2269 7.2269 7.2269 7.5383 7.5383 7.5383 7.5383 7.6710 7.6710 7.6710 7.6710 7.8121 7.8121 7.8121 7.8121 k = 0.0595 0.1031 0.5420 ( 11870 PWs) bands (ev): -21.8022 -21.8022 -21.8022 -21.8022 -21.6691 -21.6691 -21.6691 -21.6691 -21.6688 -21.6688 -21.6688 -21.6688 -8.8757 -8.8757 -8.8757 -8.8757 -8.5470 -8.5470 -8.5470 -8.5470 -8.3693 -8.3693 -8.3693 -8.3693 -7.2244 -7.2244 -7.2244 -7.2244 -6.8005 -6.8005 -6.8005 -6.8005 -6.4663 -6.4663 -6.4663 -6.4663 -6.3501 -6.3501 -6.3501 -6.3501 -6.2125 -6.2125 -6.2125 -6.2125 -5.9572 -5.9572 -5.9572 -5.9572 -4.4640 -4.4640 -4.4639 -4.4639 4.3064 4.3064 4.3065 4.3065 4.4256 4.4256 4.4257 4.4257 4.4545 4.4545 4.4546 4.4546 5.7263 5.7263 5.7263 5.7263 7.2466 7.2466 7.2466 7.2466 7.5560 7.5560 7.5560 7.5560 7.6887 7.6887 7.6887 7.6887 7.8348 7.8348 7.8348 7.8348 k = 0.0476 0.0825 0.5420 ( 11878 PWs) bands (ev): -21.8024 -21.8024 -21.8024 -21.8024 -21.6689 -21.6689 -21.6689 -21.6689 -21.6687 -21.6687 -21.6687 -21.6687 -8.8757 -8.8757 -8.8756 -8.8756 -8.5476 -8.5476 -8.5476 -8.5476 -8.3689 -8.3689 -8.3689 -8.3689 -7.2246 -7.2246 -7.2246 -7.2246 -6.8017 -6.8017 -6.8017 -6.8017 -6.4655 -6.4655 -6.4655 -6.4655 -6.3516 -6.3516 -6.3516 -6.3516 -6.2125 -6.2125 -6.2125 -6.2125 -5.9550 -5.9550 -5.9550 -5.9550 -4.4634 -4.4634 -4.4633 -4.4633 4.2978 4.2978 4.2978 4.2978 4.4258 4.4258 4.4259 4.4259 4.4499 4.4499 4.4500 4.4500 5.7249 5.7249 5.7250 5.7250 7.2621 7.2621 7.2621 7.2621 7.5695 7.5695 7.5695 7.5695 7.7048 7.7048 7.7048 7.7048 7.8579 7.8579 7.8579 7.8579 k = 0.0357 0.0619 0.5420 ( 11886 PWs) bands (ev): -21.8026 -21.8026 -21.8026 -21.8026 -21.6688 -21.6688 -21.6688 -21.6688 -21.6686 -21.6686 -21.6686 -21.6686 -8.8756 -8.8756 -8.8756 -8.8756 -8.5480 -8.5480 -8.5480 -8.5480 -8.3685 -8.3685 -8.3685 -8.3685 -7.2248 -7.2248 -7.2247 -7.2247 -6.8027 -6.8027 -6.8027 -6.8027 -6.4648 -6.4648 -6.4648 -6.4648 -6.3527 -6.3527 -6.3527 -6.3527 -6.2125 -6.2125 -6.2125 -6.2125 -5.9532 -5.9532 -5.9532 -5.9532 -4.4629 -4.4629 -4.4628 -4.4628 4.2908 4.2908 4.2908 4.2908 4.4256 4.4256 4.4257 4.4257 4.4468 4.4468 4.4469 4.4469 5.7241 5.7241 5.7241 5.7241 7.2738 7.2738 7.2738 7.2738 7.5797 7.5797 7.5797 7.5797 7.7181 7.7181 7.7181 7.7181 7.8789 7.8789 7.8789 7.8789 k = 0.0238 0.0412 0.5420 ( 11898 PWs) bands (ev): -21.8027 -21.8027 -21.8027 -21.8027 -21.6687 -21.6687 -21.6687 -21.6687 -21.6686 -21.6686 -21.6686 -21.6686 -8.8756 -8.8756 -8.8755 -8.8755 -8.5484 -8.5484 -8.5484 -8.5484 -8.3683 -8.3683 -8.3683 -8.3683 -7.2249 -7.2249 -7.2249 -7.2249 -6.8034 -6.8034 -6.8034 -6.8034 -6.4643 -6.4643 -6.4643 -6.4643 -6.3536 -6.3536 -6.3536 -6.3536 -6.2126 -6.2126 -6.2126 -6.2126 -5.9520 -5.9520 -5.9520 -5.9520 -4.4625 -4.4625 -4.4624 -4.4624 4.2856 4.2856 4.2857 4.2857 4.4251 4.4251 4.4252 4.4252 4.4450 4.4450 4.4451 4.4451 5.7236 5.7236 5.7236 5.7236 7.2818 7.2818 7.2818 7.2818 7.5870 7.5870 7.5870 7.5870 7.7280 7.7280 7.7280 7.7280 7.8949 7.8949 7.8949 7.8949 k = 0.0119 0.0206 0.5420 ( 11900 PWs) bands (ev): -21.8028 -21.8028 -21.8028 -21.8028 -21.6687 -21.6687 -21.6687 -21.6687 -21.6686 -21.6686 -21.6686 -21.6686 -8.8755 -8.8755 -8.8755 -8.8755 -8.5486 -8.5486 -8.5486 -8.5486 -8.3682 -8.3682 -8.3681 -8.3681 -7.2250 -7.2250 -7.2249 -7.2249 -6.8038 -6.8038 -6.8038 -6.8038 -6.4640 -6.4640 -6.4640 -6.4640 -6.3541 -6.3541 -6.3541 -6.3541 -6.2126 -6.2126 -6.2126 -6.2126 -5.9512 -5.9512 -5.9512 -5.9512 -4.4623 -4.4623 -4.4622 -4.4622 4.2824 4.2824 4.2825 4.2825 4.4247 4.4247 4.4248 4.4248 4.4440 4.4440 4.4441 4.4441 5.7234 5.7234 5.7234 5.7234 7.2865 7.2865 7.2865 7.2865 7.5915 7.5915 7.5915 7.5915 7.7341 7.7341 7.7341 7.7341 7.9030 7.9030 7.9031 7.9031 k = 0.0000 0.0000 0.5420 ( 11884 PWs) bands (ev): -21.8028 -21.8028 -21.8028 -21.8028 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -21.6686 -8.8755 -8.8755 -8.8755 -8.8755 -8.5486 -8.5486 -8.5486 -8.5486 -8.3681 -8.3681 -8.3681 -8.3681 -7.2250 -7.2250 -7.2250 -7.2250 -6.8039 -6.8039 -6.8039 -6.8039 -6.4639 -6.4639 -6.4639 -6.4639 -6.3543 -6.3543 -6.3543 -6.3543 -6.2126 -6.2126 -6.2126 -6.2126 -5.9509 -5.9509 -5.9509 -5.9509 -4.4622 -4.4622 -4.4621 -4.4621 4.2814 4.2814 4.2815 4.2815 4.4245 4.4245 4.4246 4.4246 4.4438 4.4438 4.4439 4.4439 5.7233 5.7233 5.7233 5.7233 7.2880 7.2880 7.2880 7.2880 7.5930 7.5930 7.5930 7.5930 7.7362 7.7362 7.7362 7.7362 7.9050 7.9050 7.9050 7.9050 k = 0.5000 0.2887 0.5420 ( 11872 PWs) bands (ev): -21.7968 -21.7968 -21.7968 -21.7968 -21.6733 -21.6733 -21.6733 -21.6733 -21.6701 -21.6701 -21.6701 -21.6701 -8.8771 -8.8771 -8.8770 -8.8770 -8.5312 -8.5312 -8.5312 -8.5312 -8.3820 -8.3820 -8.3820 -8.3820 -7.2204 -7.2204 -7.2203 -7.2203 -6.7678 -6.7678 -6.7678 -6.7678 -6.4839 -6.4839 -6.4839 -6.4839 -6.3166 -6.3166 -6.3166 -6.3166 -6.2119 -6.2119 -6.2119 -6.2119 -6.0128 -6.0128 -6.0128 -6.0128 -4.4799 -4.4799 -4.4798 -4.4798 4.3551 4.3551 4.3552 4.3552 4.5216 4.5216 4.5217 4.5217 4.6184 4.6184 4.6185 4.6185 6.1023 6.1023 6.1023 6.1023 6.3342 6.3342 6.3342 6.3342 7.3660 7.3660 7.3660 7.3660 7.4594 7.4594 7.4594 7.4594 7.7112 7.7112 7.7112 7.7112 k = 0.5000 0.2887 0.5184 ( 11876 PWs) bands (ev): -21.8000 -21.8000 -21.7937 -21.7937 -21.6749 -21.6749 -21.6717 -21.6717 -21.6716 -21.6716 -21.6687 -21.6687 -8.8821 -8.8821 -8.8720 -8.8720 -8.5352 -8.5352 -8.5271 -8.5271 -8.3958 -8.3958 -8.3682 -8.3682 -7.2213 -7.2213 -7.2196 -7.2196 -6.7765 -6.7765 -6.7589 -6.7589 -6.4932 -6.4932 -6.4749 -6.4749 -6.3285 -6.3285 -6.3042 -6.3042 -6.2211 -6.2211 -6.2030 -6.2030 -6.0156 -6.0156 -6.0098 -6.0098 -4.4910 -4.4910 -4.4688 -4.4688 4.3511 4.3511 4.3609 4.3609 4.5091 4.5091 4.5314 4.5314 4.6032 4.6032 4.6348 4.6348 6.0771 6.0771 6.1310 6.1310 6.2946 6.2946 6.3710 6.3710 7.3402 7.3402 7.3854 7.3854 7.4575 7.4575 7.4606 7.4606 7.6870 7.6870 7.7302 7.7302 k = 0.5000 0.2887 0.4948 ( 11856 PWs) bands (ev): -21.8032 -21.8032 -21.7905 -21.7905 -21.6765 -21.6765 -21.6730 -21.6730 -21.6701 -21.6701 -21.6673 -21.6673 -8.8870 -8.8870 -8.8669 -8.8669 -8.5391 -8.5391 -8.5229 -8.5229 -8.4096 -8.4096 -8.3545 -8.3545 -7.2223 -7.2223 -7.2190 -7.2190 -6.7847 -6.7847 -6.7499 -6.7499 -6.5027 -6.5027 -6.4663 -6.4663 -6.3398 -6.3398 -6.2912 -6.2912 -6.2307 -6.2307 -6.1946 -6.1946 -6.0183 -6.0183 -6.0068 -6.0068 -4.5022 -4.5022 -4.4581 -4.4581 4.3488 4.3488 4.3683 4.3683 4.4949 4.4949 4.5361 4.5361 4.5915 4.5915 4.6513 4.6513 6.0554 6.0554 6.1632 6.1632 6.2527 6.2527 6.4048 6.4048 7.3093 7.3093 7.3969 7.3969 7.4555 7.4555 7.4601 7.4601 7.6612 7.6612 7.7428 7.7428 k = 0.5000 0.2887 0.4713 ( 11858 PWs) bands (ev): -21.8063 -21.8063 -21.7874 -21.7874 -21.6781 -21.6781 -21.6744 -21.6744 -21.6686 -21.6686 -21.6659 -21.6659 -8.8918 -8.8918 -8.8618 -8.8618 -8.5428 -8.5428 -8.5187 -8.5187 -8.4233 -8.4233 -8.3410 -8.3410 -7.2233 -7.2233 -7.2186 -7.2186 -6.7925 -6.7925 -6.7409 -6.7409 -6.5123 -6.5123 -6.4582 -6.4582 -6.3503 -6.3503 -6.2779 -6.2779 -6.2405 -6.2405 -6.1866 -6.1866 -6.0208 -6.0208 -6.0037 -6.0037 -4.5136 -4.5136 -4.4476 -4.4476 4.3481 4.3481 4.3773 4.3773 4.4797 4.4797 4.5323 4.5323 4.5868 4.5868 4.6675 4.6675 6.0368 6.0368 6.1959 6.1959 6.2120 6.2120 6.4355 6.4355 7.2750 7.2750 7.3991 7.3991 7.4541 7.4541 7.4574 7.4574 7.6348 7.6348 7.7585 7.7585 k = 0.5000 0.2887 0.4477 ( 11860 PWs) bands (ev): -21.8093 -21.8093 -21.7843 -21.7843 -21.6796 -21.6796 -21.6758 -21.6758 -21.6670 -21.6670 -21.6645 -21.6645 -8.8966 -8.8966 -8.8567 -8.8567 -8.5464 -8.5464 -8.5144 -8.5144 -8.4370 -8.4370 -8.3278 -8.3278 -7.2244 -7.2244 -7.2185 -7.2185 -6.7997 -6.7997 -6.7321 -6.7321 -6.5221 -6.5221 -6.4507 -6.4507 -6.3600 -6.3600 -6.2644 -6.2644 -6.2504 -6.2504 -6.1790 -6.1790 -6.0232 -6.0232 -6.0006 -6.0006 -4.5249 -4.5249 -4.4375 -4.4375 4.3488 4.3488 4.3875 4.3875 4.4639 4.4639 4.5207 4.5207 4.5885 4.5885 4.6832 4.6832 6.0211 6.0211 6.1614 6.1614 6.2403 6.2403 6.4631 6.4631 7.2384 7.2384 7.3910 7.3910 7.4499 7.4499 7.4569 7.4569 7.6084 7.6084 7.7815 7.7815 k = 0.5000 0.2887 0.4241 ( 11852 PWs) bands (ev): -21.8123 -21.8123 -21.7812 -21.7812 -21.6811 -21.6811 -21.6771 -21.6771 -21.6655 -21.6655 -21.6631 -21.6631 -8.9012 -8.9012 -8.8517 -8.8517 -8.5498 -8.5498 -8.5101 -8.5101 -8.4504 -8.4504 -8.3148 -8.3148 -7.2254 -7.2254 -7.2188 -7.2188 -6.8061 -6.8061 -6.7235 -6.7235 -6.5319 -6.5319 -6.4439 -6.4439 -6.3688 -6.3688 -6.2618 -6.2618 -6.2495 -6.2495 -6.1719 -6.1719 -6.0254 -6.0254 -5.9975 -5.9975 -4.5361 -4.5361 -4.4278 -4.4278 4.3508 4.3508 4.3986 4.3986 4.4483 4.4483 4.5055 4.5055 4.5930 4.5930 4.6982 4.6982 6.0078 6.0078 6.1150 6.1150 6.2832 6.2832 6.4877 6.4877 7.2006 7.2006 7.3737 7.3737 7.4402 7.4402 7.4606 7.4606 7.5821 7.5821 7.8109 7.8109 k = 0.5000 0.2887 0.4006 ( 11852 PWs) bands (ev): -21.8153 -21.8153 -21.7783 -21.7783 -21.6826 -21.6826 -21.6785 -21.6785 -21.6640 -21.6640 -21.6618 -21.6618 -8.9057 -8.9057 -8.8467 -8.8467 -8.5531 -8.5531 -8.5058 -8.5058 -8.4635 -8.4635 -8.3022 -8.3022 -7.2264 -7.2264 -7.2194 -7.2194 -6.8116 -6.8116 -6.7152 -6.7152 -6.5416 -6.5416 -6.4381 -6.4381 -6.3764 -6.3764 -6.2722 -6.2722 -6.2356 -6.2356 -6.1652 -6.1652 -6.0274 -6.0274 -5.9944 -5.9944 -4.5472 -4.5472 -4.4185 -4.4185 4.3535 4.3535 4.4090 4.4090 4.4343 4.4343 4.4898 4.4898 4.5979 4.5979 4.7126 4.7126 5.9958 5.9958 6.0687 6.0687 6.3295 6.3295 6.5094 6.5094 7.1624 7.1624 7.3496 7.3496 7.4261 7.4261 7.4663 7.4663 7.5560 7.5560 7.8450 7.8450 k = 0.5000 0.2887 0.3770 ( 11850 PWs) bands (ev): -21.8181 -21.8181 -21.7754 -21.7754 -21.6841 -21.6841 -21.6798 -21.6798 -21.6625 -21.6625 -21.6605 -21.6605 -8.9101 -8.9101 -8.8417 -8.8417 -8.5561 -8.5561 -8.5015 -8.5015 -8.4764 -8.4764 -8.2900 -8.2900 -7.2273 -7.2273 -7.2203 -7.2203 -6.8163 -6.8163 -6.7074 -6.7074 -6.5512 -6.5512 -6.4336 -6.4336 -6.3825 -6.3825 -6.2829 -6.2829 -6.2214 -6.2214 -6.1590 -6.1590 -6.0292 -6.0292 -5.9914 -5.9914 -4.5581 -4.5581 -4.4096 -4.4096 4.3558 4.3558 4.4117 4.4117 4.4278 4.4278 4.4768 4.4768 4.6024 4.6024 4.7263 4.7263 5.9812 5.9812 6.0267 6.0267 6.3789 6.3789 6.5285 6.5285 7.1242 7.1242 7.3211 7.3211 7.4074 7.4074 7.4731 7.4731 7.5306 7.5306 7.8806 7.8806 k = 0.5000 0.2887 0.3535 ( 11840 PWs) bands (ev): -21.8209 -21.8209 -21.7726 -21.7726 -21.6854 -21.6854 -21.6810 -21.6810 -21.6611 -21.6611 -21.6593 -21.6593 -8.9142 -8.9142 -8.8368 -8.8368 -8.5590 -8.5590 -8.4973 -8.4973 -8.4889 -8.4889 -8.2782 -8.2782 -7.2283 -7.2283 -7.2215 -7.2215 -6.8200 -6.8200 -6.7001 -6.7001 -6.5606 -6.5606 -6.4311 -6.4311 -6.3865 -6.3865 -6.2937 -6.2937 -6.2073 -6.2073 -6.1531 -6.1531 -6.0308 -6.0308 -5.9884 -5.9884 -4.5688 -4.5688 -4.4013 -4.4013 4.3555 4.3555 4.4045 4.4045 4.4277 4.4277 4.4725 4.4725 4.6062 4.6062 4.7393 4.7393 5.9519 5.9519 6.0014 6.0014 6.4308 6.4308 6.5453 6.5453 7.0867 7.0867 7.2893 7.2893 7.3843 7.3843 7.4797 7.4797 7.5066 7.5066 7.9114 7.9114 k = 0.5000 0.2887 0.3299 ( 11840 PWs) bands (ev): -21.8235 -21.8235 -21.7699 -21.7699 -21.6868 -21.6868 -21.6822 -21.6822 -21.6598 -21.6598 -21.6581 -21.6581 -8.9182 -8.9182 -8.8321 -8.8321 -8.5617 -8.5617 -8.5010 -8.5010 -8.4932 -8.4932 -8.2669 -8.2669 -7.2294 -7.2294 -7.2228 -7.2228 -6.8227 -6.8227 -6.6934 -6.6934 -6.5697 -6.5697 -6.4307 -6.4307 -6.3883 -6.3883 -6.3045 -6.3045 -6.1934 -6.1934 -6.1477 -6.1477 -6.0321 -6.0321 -5.9855 -5.9855 -4.5790 -4.5790 -4.3935 -4.3935 4.3502 4.3502 4.3984 4.3984 4.4223 4.4223 4.4802 4.4802 4.6091 4.6091 4.7518 4.7518 5.9089 5.9089 5.9919 5.9919 6.4844 6.4844 6.5604 6.5604 7.0501 7.0501 7.2555 7.2555 7.3575 7.3575 7.4753 7.4753 7.4949 7.4949 7.9360 7.9360 k = 0.5000 0.2887 0.3063 ( 11838 PWs) bands (ev): -21.8260 -21.8260 -21.7674 -21.7674 -21.6880 -21.6880 -21.6833 -21.6833 -21.6585 -21.6585 -21.6569 -21.6569 -8.9220 -8.9220 -8.8275 -8.8275 -8.5643 -8.5643 -8.5126 -8.5126 -8.4892 -8.4892 -8.2562 -8.2562 -7.2306 -7.2306 -7.2242 -7.2242 -6.8244 -6.8244 -6.6873 -6.6873 -6.5784 -6.5784 -6.4323 -6.4323 -6.3880 -6.3880 -6.3151 -6.3151 -6.1798 -6.1798 -6.1427 -6.1427 -6.0332 -6.0332 -5.9827 -5.9827 -4.5889 -4.5889 -4.3862 -4.3862 4.3401 4.3401 4.3902 4.3902 4.4200 4.4200 4.4943 4.4943 4.6113 4.6113 4.7637 4.7637 5.8628 5.8628 5.9878 5.9878 6.5378 6.5378 6.5758 6.5758 7.0148 7.0148 7.2203 7.2203 7.3280 7.3280 7.4537 7.4537 7.5015 7.5015 7.9582 7.9582 k = 0.5000 0.2887 0.2828 ( 11856 PWs) bands (ev): -21.8284 -21.8284 -21.7649 -21.7649 -21.6892 -21.6892 -21.6844 -21.6844 -21.6573 -21.6573 -21.6558 -21.6558 -8.9256 -8.9256 -8.8230 -8.8230 -8.5666 -8.5666 -8.5236 -8.5236 -8.4853 -8.4853 -8.2461 -8.2461 -7.2323 -7.2323 -7.2253 -7.2253 -6.8253 -6.8253 -6.6819 -6.6819 -6.5866 -6.5866 -6.4353 -6.4353 -6.3865 -6.3865 -6.3255 -6.3255 -6.1667 -6.1667 -6.1381 -6.1381 -6.0340 -6.0340 -5.9801 -5.9801 -4.5983 -4.5983 -4.3794 -4.3794 4.3276 4.3276 4.3774 4.3774 4.4250 4.4250 4.5108 4.5108 4.6127 4.6127 4.7752 4.7752 5.8169 5.8169 5.9859 5.9859 6.5746 6.5746 6.6073 6.6073 6.9810 6.9810 7.1843 7.1843 7.2967 7.2967 7.4309 7.4309 7.5106 7.5106 7.9793 7.9793 k = 0.5000 0.2887 0.2592 ( 11858 PWs) bands (ev): -21.8306 -21.8306 -21.7627 -21.7627 -21.6904 -21.6904 -21.6854 -21.6854 -21.6562 -21.6562 -21.6548 -21.6548 -8.9289 -8.9289 -8.8187 -8.8187 -8.5688 -8.5688 -8.5340 -8.5340 -8.4817 -8.4817 -8.2367 -8.2367 -7.2345 -7.2345 -7.2260 -7.2260 -6.8254 -6.8254 -6.6772 -6.6772 -6.5941 -6.5941 -6.4387 -6.4387 -6.3846 -6.3846 -6.3352 -6.3352 -6.1543 -6.1543 -6.1339 -6.1339 -6.0345 -6.0345 -5.9777 -5.9777 -4.6072 -4.6072 -4.3733 -4.3733 4.3145 4.3145 4.3628 4.3628 4.4339 4.4339 4.5283 4.5283 4.6135 4.6135 4.7864 4.7864 5.7721 5.7721 5.9855 5.9855 6.5883 6.5883 6.6613 6.6613 6.9490 6.9490 7.1481 7.1481 7.2646 7.2646 7.4086 7.4086 7.5203 7.5203 7.9993 7.9993 k = 0.5000 0.2887 0.2356 ( 11868 PWs) bands (ev): -21.8326 -21.8326 -21.7606 -21.7606 -21.6914 -21.6914 -21.6863 -21.6863 -21.6551 -21.6551 -21.6539 -21.6539 -8.9320 -8.9320 -8.8146 -8.8146 -8.5708 -8.5708 -8.5437 -8.5437 -8.4782 -8.4782 -8.2279 -8.2279 -7.2370 -7.2370 -7.2264 -7.2264 -6.8247 -6.8247 -6.6734 -6.6734 -6.6009 -6.6009 -6.4423 -6.4423 -6.3833 -6.3833 -6.3439 -6.3439 -6.1428 -6.1428 -6.1299 -6.1299 -6.0346 -6.0346 -5.9754 -5.9754 -4.6155 -4.6155 -4.3677 -4.3677 4.3016 4.3016 4.3482 4.3482 4.4446 4.4446 4.5458 4.5458 4.6138 4.6138 4.7974 4.7974 5.7290 5.7290 5.9860 5.9860 6.5976 6.5976 6.7186 6.7186 6.9189 6.9189 7.1122 7.1122 7.2326 7.2326 7.3871 7.3871 7.5301 7.5301 8.0183 8.0183 k = 0.5000 0.2887 0.2121 ( 11872 PWs) bands (ev): -21.8345 -21.8345 -21.7586 -21.7586 -21.6924 -21.6924 -21.6872 -21.6872 -21.6542 -21.6542 -21.6530 -21.6530 -8.9348 -8.9348 -8.8107 -8.8107 -8.5727 -8.5727 -8.5527 -8.5527 -8.4750 -8.4750 -8.2198 -8.2198 -7.2398 -7.2398 -7.2266 -7.2266 -6.8234 -6.8234 -6.6704 -6.6704 -6.6068 -6.6068 -6.4456 -6.4456 -6.3836 -6.3836 -6.3507 -6.3507 -6.1325 -6.1325 -6.1263 -6.1263 -6.0343 -6.0343 -5.9734 -5.9734 -4.6232 -4.6232 -4.3626 -4.3626 4.2893 4.2893 4.3343 4.3343 4.4560 4.4560 4.5629 4.5629 4.6137 4.6137 4.8082 4.8082 5.6882 5.6882 5.9871 5.9871 6.6055 6.6055 6.7757 6.7757 6.8909 6.8909 7.0772 7.0772 7.2014 7.2014 7.3666 7.3666 7.5399 7.5399 8.0363 8.0363 k = 0.5000 0.2887 0.1885 ( 11874 PWs) bands (ev): -21.8362 -21.8362 -21.7569 -21.7569 -21.6932 -21.6932 -21.6880 -21.6880 -21.6533 -21.6533 -21.6522 -21.6522 -8.9374 -8.9374 -8.8071 -8.8071 -8.5745 -8.5745 -8.5608 -8.5608 -8.4721 -8.4721 -8.2125 -8.2125 -7.2426 -7.2426 -7.2267 -7.2267 -6.8217 -6.8217 -6.6683 -6.6683 -6.6118 -6.6118 -6.4486 -6.4486 -6.3863 -6.3863 -6.3548 -6.3548 -6.1244 -6.1244 -6.1218 -6.1218 -6.0336 -6.0336 -5.9716 -5.9716 -4.6302 -4.6302 -4.3581 -4.3581 4.2780 4.2780 4.3214 4.3214 4.4676 4.4676 4.5791 4.5791 4.6134 4.6134 4.8189 4.8189 5.6500 5.6500 5.9886 5.9886 6.6124 6.6124 6.8311 6.8311 6.8655 6.8655 7.0439 7.0439 7.1718 7.1718 7.3469 7.3469 7.5494 7.5494 8.0530 8.0530 k = 0.5000 0.2887 0.1649 ( 11866 PWs) bands (ev): -21.8378 -21.8378 -21.7553 -21.7553 -21.6940 -21.6940 -21.6887 -21.6887 -21.6525 -21.6525 -21.6515 -21.6515 -8.9397 -8.9397 -8.8038 -8.8038 -8.5767 -8.5767 -8.5675 -8.5675 -8.4694 -8.4694 -8.2060 -8.2060 -7.2454 -7.2454 -7.2266 -7.2266 -6.8196 -6.8196 -6.6672 -6.6672 -6.6157 -6.6157 -6.4510 -6.4510 -6.3914 -6.3914 -6.3562 -6.3562 -6.1208 -6.1208 -6.1146 -6.1146 -6.0324 -6.0324 -5.9700 -5.9700 -4.6365 -4.6365 -4.3542 -4.3542 4.2678 4.2678 4.3097 4.3097 4.4790 4.4790 4.5941 4.5941 4.6129 4.6129 4.8294 4.8294 5.6148 5.6148 5.9904 5.9904 6.6187 6.6187 6.8411 6.8411 6.8854 6.8854 7.0130 7.0130 7.1445 7.1445 7.3280 7.3280 7.5585 7.5585 8.0685 8.0685 k = 0.5000 0.2887 0.1414 ( 11882 PWs) bands (ev): -21.8391 -21.8391 -21.7539 -21.7539 -21.6947 -21.6947 -21.6893 -21.6893 -21.6518 -21.6518 -21.6509 -21.6509 -8.9417 -8.9417 -8.8008 -8.8008 -8.5797 -8.5797 -8.5724 -8.5724 -8.4670 -8.4670 -8.2003 -8.2003 -7.2480 -7.2480 -7.2264 -7.2264 -6.8175 -6.8175 -6.6668 -6.6668 -6.6186 -6.6186 -6.4528 -6.4528 -6.3979 -6.3979 -6.3561 -6.3561 -6.1182 -6.1182 -6.1081 -6.1081 -6.0309 -6.0309 -5.9686 -5.9686 -4.6420 -4.6420 -4.3508 -4.3508 4.2587 4.2587 4.2993 4.2993 4.4897 4.4897 4.6070 4.6070 4.6130 4.6130 4.8396 4.8396 5.5830 5.5830 5.9922 5.9922 6.6243 6.6243 6.8206 6.8206 6.9323 6.9323 6.9879 6.9879 7.1198 7.1198 7.3098 7.3098 7.5670 7.5670 8.0824 8.0824 k = 0.5000 0.2887 0.1178 ( 11882 PWs) bands (ev): -21.8402 -21.8402 -21.7527 -21.7527 -21.6953 -21.6953 -21.6898 -21.6898 -21.6512 -21.6512 -21.6504 -21.6504 -8.9434 -8.9434 -8.7982 -8.7982 -8.5839 -8.5839 -8.5749 -8.5749 -8.4650 -8.4650 -8.1955 -8.1955 -7.2503 -7.2503 -7.2263 -7.2263 -6.8153 -6.8153 -6.6671 -6.6671 -6.6205 -6.6205 -6.4540 -6.4540 -6.4046 -6.4046 -6.3552 -6.3552 -6.1160 -6.1160 -6.1029 -6.1029 -6.0291 -6.0291 -5.9675 -5.9675 -4.6467 -4.6467 -4.3480 -4.3480 4.2509 4.2509 4.2903 4.2903 4.4994 4.4994 4.6107 4.6107 4.6204 4.6204 4.8492 4.8492 5.5551 5.5551 5.9940 5.9940 6.6295 6.6295 6.8026 6.8026 6.9459 6.9459 6.9961 6.9961 7.0983 7.0983 7.2921 7.2921 7.5746 7.5746 8.0946 8.0946 k = 0.5000 0.2887 0.0943 ( 11876 PWs) bands (ev): -21.8412 -21.8412 -21.7517 -21.7517 -21.6958 -21.6958 -21.6902 -21.6902 -21.6507 -21.6507 -21.6499 -21.6499 -8.9448 -8.9448 -8.7960 -8.7960 -8.5881 -8.5881 -8.5763 -8.5763 -8.4633 -8.4633 -8.1915 -8.1915 -7.2523 -7.2523 -7.2261 -7.2261 -6.8133 -6.8133 -6.6678 -6.6678 -6.6218 -6.6218 -6.4546 -6.4546 -6.4110 -6.4110 -6.3542 -6.3542 -6.1141 -6.1141 -6.0990 -6.0990 -6.0272 -6.0272 -5.9666 -5.9666 -4.6506 -4.6506 -4.3457 -4.3457 4.2444 4.2444 4.2829 4.2829 4.5078 4.5078 4.6103 4.6103 4.6300 4.6300 4.8578 4.8578 5.5314 5.5314 5.9956 5.9956 6.6341 6.6341 6.7876 6.7876 6.9280 6.9280 7.0351 7.0351 7.0802 7.0802 7.2746 7.2746 7.5812 7.5812 8.1049 8.1049 k = 0.5000 0.2887 0.0707 ( 11864 PWs) bands (ev): -21.8419 -21.8419 -21.7510 -21.7510 -21.6961 -21.6961 -21.6906 -21.6906 -21.6503 -21.6503 -21.6496 -21.6496 -8.9459 -8.9459 -8.7943 -8.7943 -8.5916 -8.5916 -8.5772 -8.5772 -8.4620 -8.4620 -8.1884 -8.1884 -7.2540 -7.2540 -7.2259 -7.2259 -6.8116 -6.8116 -6.6686 -6.6686 -6.6225 -6.6225 -6.4548 -6.4548 -6.4166 -6.4166 -6.3532 -6.3532 -6.1127 -6.1127 -6.0962 -6.0962 -6.0254 -6.0254 -5.9659 -5.9659 -4.6537 -4.6537 -4.3439 -4.3439 4.2394 4.2394 4.2771 4.2771 4.5146 4.5146 4.6098 4.6098 4.6377 4.6377 4.8652 4.8652 5.5124 5.5124 5.9970 5.9970 6.6380 6.6380 6.7756 6.7756 6.9106 6.9106 7.0659 7.0659 7.0731 7.0731 7.2573 7.2573 7.5865 7.5865 8.1132 8.1132 k = 0.5000 0.2887 0.0471 ( 11878 PWs) bands (ev): -21.8425 -21.8425 -21.7504 -21.7504 -21.6964 -21.6964 -21.6908 -21.6908 -21.6501 -21.6501 -21.6494 -21.6494 -8.9467 -8.9467 -8.7930 -8.7930 -8.5943 -8.5943 -8.5778 -8.5778 -8.4610 -8.4610 -8.1861 -8.1861 -7.2552 -7.2552 -7.2258 -7.2258 -6.8103 -6.8103 -6.6694 -6.6694 -6.6229 -6.6229 -6.4546 -6.4546 -6.4211 -6.4211 -6.3525 -6.3525 -6.1116 -6.1116 -6.0943 -6.0943 -6.0239 -6.0239 -5.9654 -5.9654 -4.6559 -4.6559 -4.3426 -4.3426 4.2357 4.2357 4.2729 4.2729 4.5196 4.5196 4.6094 4.6094 4.6432 4.6432 4.8709 4.8709 5.4984 5.4984 5.9980 5.9980 6.6411 6.6411 6.7670 6.7670 6.8972 6.8972 7.0556 7.0556 7.1058 7.1058 7.2403 7.2403 7.5905 7.5905 8.1192 8.1192 k = 0.5000 0.2887 0.0236 ( 11878 PWs) bands (ev): -21.8428 -21.8428 -21.7501 -21.7501 -21.6966 -21.6966 -21.6910 -21.6910 -21.6499 -21.6499 -21.6492 -21.6492 -8.9472 -8.9472 -8.7922 -8.7922 -8.5959 -8.5959 -8.5781 -8.5781 -8.4604 -8.4604 -8.1848 -8.1848 -7.2559 -7.2559 -7.2257 -7.2257 -6.8094 -6.8094 -6.6699 -6.6699 -6.6230 -6.6230 -6.4542 -6.4542 -6.4240 -6.4240 -6.3520 -6.3520 -6.1110 -6.1110 -6.0932 -6.0932 -6.0230 -6.0230 -5.9651 -5.9651 -4.6572 -4.6572 -4.3419 -4.3419 4.2335 4.2335 4.2704 4.2704 4.5227 4.5227 4.6091 4.6091 4.6466 4.6466 4.8745 4.8745 5.4899 5.4899 5.9986 5.9986 6.6430 6.6430 6.7617 6.7617 6.8889 6.8889 7.0493 7.0493 7.1304 7.1304 7.2255 7.2255 7.5929 7.5929 8.1229 8.1229 k = 0.5000 0.2887-0.0000 ( 11866 PWs) bands (ev): -21.8429 -21.8429 -21.7500 -21.7500 -21.6966 -21.6966 -21.6910 -21.6910 -21.6499 -21.6499 -21.6492 -21.6492 -8.9473 -8.9473 -8.7920 -8.7920 -8.5964 -8.5964 -8.5782 -8.5782 -8.4602 -8.4602 -8.1843 -8.1843 -7.2562 -7.2562 -7.2257 -7.2257 -6.8091 -6.8091 -6.6701 -6.6701 -6.6231 -6.6231 -6.4541 -6.4541 -6.4250 -6.4250 -6.3518 -6.3518 -6.1108 -6.1108 -6.0929 -6.0929 -6.0226 -6.0226 -5.9650 -5.9650 -4.6577 -4.6577 -4.3416 -4.3416 4.2328 4.2328 4.2696 4.2696 4.5237 4.5237 4.6090 4.6090 4.6477 4.6477 4.8757 4.8757 5.4870 5.4870 5.9988 5.9988 6.6437 6.6437 6.7600 6.7600 6.8861 6.8861 7.0472 7.0472 7.1405 7.1405 7.2186 7.2186 7.5937 7.5937 8.1241 8.1241 k = 0.3333 0.5774-0.0000 ( 11853 PWs) bands (ev): -21.8418 -21.8418 -21.7495 -21.7495 -21.6946 -21.6946 -21.6945 -21.6945 -21.6496 -21.6496 -21.6495 -21.6495 -8.9440 -8.9440 -8.7915 -8.7915 -8.5954 -8.5954 -8.5783 -8.5783 -8.4572 -8.4572 -8.1908 -8.1908 -7.2607 -7.2607 -7.2233 -7.2233 -6.8100 -6.8100 -6.6549 -6.6549 -6.6395 -6.6395 -6.4428 -6.4428 -6.4208 -6.4208 -6.3606 -6.3606 -6.1057 -6.1057 -6.0684 -6.0684 -6.0661 -6.0661 -5.9598 -5.9598 -4.6543 -4.6543 -4.3384 -4.3384 4.2731 4.2731 4.2872 4.2872 4.3573 4.3573 4.6198 4.6198 4.6200 4.6200 4.8628 4.8628 6.0014 6.0014 6.0454 6.0454 6.0469 6.0469 6.6197 6.6197 6.9963 6.9963 7.0177 7.0177 7.1252 7.1252 7.1343 7.1343 8.3330 8.3330 8.4140 8.4140 k = 0.3333 0.5774 0.0236 ( 11868 PWs) bands (ev): -21.8417 -21.8417 -21.7496 -21.7496 -21.6946 -21.6946 -21.6944 -21.6944 -21.6496 -21.6496 -21.6496 -21.6496 -8.9439 -8.9439 -8.7918 -8.7918 -8.5949 -8.5949 -8.5782 -8.5782 -8.4574 -8.4574 -8.1912 -8.1912 -7.2605 -7.2605 -7.2233 -7.2233 -6.8102 -6.8102 -6.6544 -6.6544 -6.6397 -6.6397 -6.4431 -6.4431 -6.4196 -6.4196 -6.3608 -6.3608 -6.1059 -6.1059 -6.0683 -6.0683 -6.0668 -6.0668 -5.9600 -5.9600 -4.6539 -4.6539 -4.3387 -4.3387 4.2739 4.2739 4.2872 4.2872 4.3570 4.3570 4.6200 4.6200 4.6200 4.6200 4.8622 4.8622 6.0014 6.0014 6.0471 6.0471 6.0476 6.0476 6.6200 6.6200 6.9954 6.9954 7.0167 7.0167 7.1262 7.1262 7.1351 7.1351 8.3308 8.3308 8.4061 8.4061 k = 0.3333 0.5774 0.0471 ( 11862 PWs) bands (ev): -21.8414 -21.8414 -21.7499 -21.7499 -21.6944 -21.6944 -21.6943 -21.6943 -21.6498 -21.6498 -21.6497 -21.6497 -8.9434 -8.9434 -8.7926 -8.7926 -8.5932 -8.5932 -8.5780 -8.5780 -8.4580 -8.4580 -8.1926 -8.1926 -7.2597 -7.2597 -7.2234 -7.2234 -6.8110 -6.8110 -6.6531 -6.6531 -6.6403 -6.6403 -6.4436 -6.4436 -6.4163 -6.4163 -6.3617 -6.3617 -6.1064 -6.1064 -6.0690 -6.0690 -6.0680 -6.0680 -5.9604 -5.9604 -4.6527 -4.6527 -4.3395 -4.3395 4.2762 4.2762 4.2872 4.2872 4.3562 4.3562 4.6200 4.6200 4.6207 4.6207 4.8606 4.8606 6.0016 6.0016 6.0477 6.0477 6.0540 6.0540 6.6212 6.6212 6.9926 6.9926 7.0135 7.0135 7.1293 7.1293 7.1375 7.1375 8.3232 8.3232 8.3822 8.3822 k = 0.3333 0.5774 0.0707 ( 11844 PWs) bands (ev): -21.8409 -21.8409 -21.7505 -21.7505 -21.6942 -21.6942 -21.6940 -21.6940 -21.6501 -21.6501 -21.6500 -21.6500 -8.9427 -8.9427 -8.7939 -8.7939 -8.5904 -8.5904 -8.5775 -8.5775 -8.4590 -8.4590 -8.1948 -8.1948 -7.2584 -7.2584 -7.2236 -7.2236 -6.8122 -6.8122 -6.6508 -6.6508 -6.6413 -6.6413 -6.4440 -6.4440 -6.4114 -6.4114 -6.3630 -6.3630 -6.1073 -6.1073 -6.0726 -6.0726 -6.0674 -6.0674 -5.9611 -5.9611 -4.6506 -4.6506 -4.3408 -4.3408 4.2800 4.2800 4.2872 4.2872 4.3548 4.3548 4.6200 4.6200 4.6216 4.6216 4.8578 4.8578 6.0022 6.0022 6.0488 6.0488 6.0645 6.0645 6.6230 6.6230 6.9877 6.9877 7.0080 7.0080 7.1345 7.1345 7.1416 7.1416 8.3080 8.3080 8.3462 8.3462 k = 0.3333 0.5774 0.0943 ( 11844 PWs) bands (ev): -21.8402 -21.8402 -21.7512 -21.7512 -21.6938 -21.6938 -21.6937 -21.6937 -21.6504 -21.6504 -21.6504 -21.6504 -8.9417 -8.9417 -8.7957 -8.7957 -8.5866 -8.5866 -8.5769 -8.5769 -8.4603 -8.4603 -8.1978 -8.1978 -7.2567 -7.2567 -7.2238 -7.2238 -6.8137 -6.8137 -6.6477 -6.6477 -6.6427 -6.6427 -6.4440 -6.4440 -6.4052 -6.4052 -6.3649 -6.3649 -6.1085 -6.1085 -6.0776 -6.0776 -6.0667 -6.0667 -5.9621 -5.9621 -4.6478 -4.6478 -4.3428 -4.3428 4.2853 4.2853 4.2874 4.2874 4.3532 4.3532 4.6198 4.6198 4.6227 4.6227 4.8540 4.8540 6.0033 6.0033 6.0504 6.0504 6.0789 6.0789 6.6257 6.6257 6.9805 6.9805 7.0000 7.0000 7.1418 7.1418 7.1476 7.1476 8.2828 8.2828 8.3044 8.3044 k = 0.3333 0.5774 0.1178 ( 11856 PWs) bands (ev): -21.8392 -21.8392 -21.7522 -21.7522 -21.6933 -21.6933 -21.6932 -21.6932 -21.6509 -21.6509 -21.6508 -21.6508 -8.9404 -8.9404 -8.7979 -8.7979 -8.5818 -8.5818 -8.5761 -8.5761 -8.4620 -8.4620 -8.2017 -8.2017 -7.2545 -7.2545 -7.2240 -7.2240 -6.8155 -6.8155 -6.6446 -6.6446 -6.6437 -6.6437 -6.4433 -6.4433 -6.3979 -6.3979 -6.3673 -6.3673 -6.1101 -6.1101 -6.0840 -6.0840 -6.0657 -6.0657 -5.9634 -5.9634 -4.6443 -4.6443 -4.3452 -4.3452 4.2879 4.2879 4.2919 4.2919 4.3515 4.3515 4.6193 4.6193 4.6236 4.6236 4.8491 4.8491 6.0051 6.0051 6.0527 6.0527 6.0970 6.0970 6.6292 6.6292 6.9706 6.9706 6.9892 6.9892 7.1513 7.1513 7.1557 7.1557 8.2495 8.2495 8.2605 8.2605 k = 0.3333 0.5774 0.1414 ( 11835 PWs) bands (ev): -21.8381 -21.8381 -21.7534 -21.7534 -21.6928 -21.6928 -21.6926 -21.6926 -21.6515 -21.6515 -21.6514 -21.6514 -8.9388 -8.9388 -8.8006 -8.8006 -8.5760 -8.5760 -8.5751 -8.5751 -8.4641 -8.4641 -8.2065 -8.2065 -7.2520 -7.2520 -7.2243 -7.2243 -6.8174 -6.8174 -6.6470 -6.6470 -6.6389 -6.6389 -6.4419 -6.4419 -6.3898 -6.3898 -6.3702 -6.3702 -6.1121 -6.1121 -6.0915 -6.0915 -6.0646 -6.0646 -5.9649 -5.9649 -4.6399 -4.6399 -4.3483 -4.3483 4.2887 4.2887 4.2999 4.2999 4.3499 4.3499 4.6183 4.6183 4.6241 4.6241 4.8431 4.8431 6.0079 6.0079 6.0559 6.0559 6.1187 6.1187 6.6336 6.6336 6.9579 6.9579 6.9754 6.9754 7.1631 7.1631 7.1659 7.1659 8.2121 8.2121 8.2161 8.2161 k = 0.3333 0.5774 0.1649 ( 11832 PWs) bands (ev): -21.8368 -21.8368 -21.7548 -21.7548 -21.6921 -21.6921 -21.6920 -21.6920 -21.6521 -21.6521 -21.6521 -21.6521 -8.9369 -8.9369 -8.8036 -8.8036 -8.5739 -8.5739 -8.5693 -8.5693 -8.4664 -8.4664 -8.2121 -8.2121 -7.2492 -7.2492 -7.2245 -7.2245 -6.8194 -6.8194 -6.6499 -6.6499 -6.6333 -6.6333 -6.4397 -6.4397 -6.3809 -6.3809 -6.3736 -6.3736 -6.1146 -6.1146 -6.1002 -6.1002 -6.0632 -6.0632 -5.9667 -5.9667 -4.6348 -4.6348 -4.3519 -4.3519 4.2900 4.2900 4.3091 4.3091 4.3489 4.3489 4.6166 4.6166 4.6240 4.6240 4.8360 4.8360 6.0119 6.0119 6.0601 6.0601 6.1437 6.1437 6.6387 6.6387 6.9419 6.9419 6.9584 6.9584 7.1771 7.1771 7.1783 7.1783 8.1723 8.1723 8.1732 8.1732 k = 0.3333 0.5774 0.1885 ( 11832 PWs) bands (ev): -21.8352 -21.8352 -21.7563 -21.7563 -21.6914 -21.6914 -21.6912 -21.6912 -21.6529 -21.6529 -21.6528 -21.6528 -8.9348 -8.9348 -8.8069 -8.8069 -8.5725 -8.5725 -8.5617 -8.5617 -8.4691 -8.4691 -8.2184 -8.2184 -7.2462 -7.2462 -7.2248 -7.2248 -6.8211 -6.8211 -6.6533 -6.6533 -6.6270 -6.6270 -6.4369 -6.4369 -6.3775 -6.3775 -6.3715 -6.3715 -6.1177 -6.1177 -6.1097 -6.1097 -6.0617 -6.0617 -5.9688 -5.9688 -4.6290 -4.6290 -4.3561 -4.3561 4.2920 4.2920 4.3191 4.3191 4.3488 4.3488 4.6140 4.6140 4.6230 4.6230 4.8279 4.8279 6.0172 6.0172 6.0655 6.0655 6.1717 6.1717 6.6448 6.6448 6.9227 6.9227 6.9379 6.9379 7.1929 7.1929 7.1935 7.1935 8.1296 8.1296 8.1345 8.1345 k = 0.3333 0.5774 0.2121 ( 11838 PWs) bands (ev): -21.8335 -21.8335 -21.7581 -21.7581 -21.6905 -21.6905 -21.6904 -21.6904 -21.6537 -21.6537 -21.6537 -21.6537 -8.9324 -8.9324 -8.8106 -8.8106 -8.5709 -8.5709 -8.5533 -8.5533 -8.4721 -8.4721 -8.2256 -8.2256 -7.2430 -7.2430 -7.2250 -7.2250 -6.8225 -6.8225 -6.6573 -6.6573 -6.6201 -6.6201 -6.4332 -6.4332 -6.3819 -6.3819 -6.3615 -6.3615 -6.1234 -6.1234 -6.1182 -6.1182 -6.0600 -6.0600 -5.9711 -5.9711 -4.6224 -4.6224 -4.3609 -4.3609 4.2947 4.2947 4.3292 4.3292 4.3505 4.3505 4.6105 4.6105 4.6210 4.6210 4.8188 4.8188 6.0243 6.0243 6.0724 6.0724 6.2024 6.2024 6.6517 6.6517 6.9001 6.9001 6.9139 6.9139 7.2098 7.2098 7.2120 7.2120 8.0884 8.0884 8.0967 8.0967 k = 0.3333 0.5774 0.2356 ( 11832 PWs) bands (ev): -21.8317 -21.8317 -21.7600 -21.7600 -21.6896 -21.6896 -21.6895 -21.6895 -21.6547 -21.6547 -21.6546 -21.6546 -8.9297 -8.9297 -8.8145 -8.8145 -8.5692 -8.5692 -8.5442 -8.5442 -8.4753 -8.4753 -8.2335 -8.2335 -7.2398 -7.2398 -7.2251 -7.2251 -6.8235 -6.8235 -6.6618 -6.6618 -6.6125 -6.6125 -6.4289 -6.4289 -6.3867 -6.3867 -6.3511 -6.3511 -6.1339 -6.1339 -6.1229 -6.1229 -6.0581 -6.0581 -5.9736 -5.9736 -4.6152 -4.6152 -4.3662 -4.3662 4.2984 4.2984 4.3375 4.3375 4.3560 4.3560 4.6058 4.6058 4.6177 4.6177 4.8087 4.8087 6.0332 6.0332 6.0809 6.0809 6.2355 6.2355 6.6593 6.6593 6.8743 6.8743 6.8864 6.8864 7.2289 7.2289 7.2327 7.2327 8.0490 8.0490 8.0603 8.0603 k = 0.3333 0.5774 0.2592 ( 11838 PWs) bands (ev): -21.8296 -21.8296 -21.7621 -21.7621 -21.6886 -21.6886 -21.6885 -21.6885 -21.6557 -21.6557 -21.6556 -21.6556 -8.9268 -8.9268 -8.8186 -8.8186 -8.5672 -8.5672 -8.5344 -8.5344 -8.4788 -8.4788 -8.2420 -8.2420 -7.2366 -7.2366 -7.2251 -7.2251 -6.8239 -6.8239 -6.6669 -6.6669 -6.6043 -6.6043 -6.4238 -6.4238 -6.3920 -6.3920 -6.3404 -6.3404 -6.1462 -6.1462 -6.1271 -6.1271 -6.0560 -6.0560 -5.9764 -5.9764 -4.6074 -4.6074 -4.3722 -4.3722 4.3030 4.3030 4.3429 4.3429 4.3665 4.3665 4.5998 4.5998 4.6130 4.6130 4.7975 4.7975 6.0441 6.0441 6.0912 6.0912 6.2707 6.2707 6.6675 6.6675 6.8453 6.8453 6.8556 6.8556 7.2500 7.2500 7.2555 7.2555 8.0113 8.0113 8.0254 8.0254 k = 0.3333 0.5774 0.2828 ( 11844 PWs) bands (ev): -21.8274 -21.8274 -21.7644 -21.7644 -21.6875 -21.6875 -21.6874 -21.6874 -21.6568 -21.6568 -21.6567 -21.6567 -8.9237 -8.9237 -8.8230 -8.8230 -8.5650 -8.5650 -8.5240 -8.5240 -8.4825 -8.4825 -8.2513 -8.2513 -7.2336 -7.2336 -7.2250 -7.2250 -6.8236 -6.8236 -6.6726 -6.6726 -6.5957 -6.5957 -6.4180 -6.4180 -6.3978 -6.3978 -6.3294 -6.3294 -6.1593 -6.1593 -6.1316 -6.1316 -6.0538 -6.0538 -5.9794 -5.9794 -4.5990 -4.5990 -4.3787 -4.3787 4.3086 4.3086 4.3471 4.3471 4.3802 4.3802 4.5925 4.5925 4.6069 4.6069 4.7854 4.7854 6.0573 6.0573 6.1035 6.1035 6.3074 6.3074 6.6761 6.6761 6.8134 6.8134 6.8217 6.8217 7.2731 7.2731 7.2803 7.2803 7.9753 7.9753 7.9918 7.9918 k = 0.3333 0.5774 0.3063 ( 11859 PWs) bands (ev): -21.8251 -21.8251 -21.7668 -21.7668 -21.6864 -21.6864 -21.6862 -21.6862 -21.6579 -21.6579 -21.6579 -21.6579 -8.9203 -8.9203 -8.8275 -8.8275 -8.5626 -8.5626 -8.5130 -8.5130 -8.4863 -8.4863 -8.2612 -8.2612 -7.2308 -7.2308 -7.2248 -7.2248 -6.8224 -6.8224 -6.6789 -6.6789 -6.5866 -6.5866 -6.4116 -6.4116 -6.4039 -6.4039 -6.3182 -6.3182 -6.1729 -6.1729 -6.1365 -6.1365 -6.0514 -6.0514 -5.9825 -5.9825 -4.5900 -4.5900 -4.3859 -4.3859 4.3154 4.3154 4.3517 4.3517 4.3955 4.3955 4.5838 4.5838 4.5995 4.5995 4.7723 4.7723 6.0729 6.0729 6.1179 6.1179 6.3452 6.3452 6.6849 6.6849 6.7789 6.7789 6.7850 6.7850 7.2982 7.2982 7.3070 7.3070 7.9406 7.9406 7.9595 7.9595 k = 0.3333 0.5774 0.3299 ( 11853 PWs) bands (ev): -21.8226 -21.8226 -21.7693 -21.7693 -21.6851 -21.6851 -21.6850 -21.6850 -21.6592 -21.6592 -21.6591 -21.6591 -8.9167 -8.9167 -8.8321 -8.8321 -8.5601 -8.5601 -8.5016 -8.5016 -8.4904 -8.4904 -8.2717 -8.2717 -7.2284 -7.2284 -7.2244 -7.2244 -6.8204 -6.8204 -6.6857 -6.6857 -6.5771 -6.5771 -6.4105 -6.4105 -6.4045 -6.4045 -6.3069 -6.3069 -6.1870 -6.1870 -6.1418 -6.1418 -6.0488 -6.0488 -5.9859 -5.9859 -4.5805 -4.5805 -4.3935 -4.3935 4.3234 4.3234 4.3572 4.3572 4.4119 4.4119 4.5738 4.5738 4.5908 4.5908 4.7583 4.7583 6.0909 6.0909 6.1345 6.1345 6.3836 6.3836 6.6934 6.6934 6.7423 6.7423 6.7460 6.7460 7.3249 7.3249 7.3354 7.3354 7.9072 7.9072 7.9279 7.9279 k = 0.3333 0.5774 0.3535 ( 11871 PWs) bands (ev): -21.8200 -21.8200 -21.7720 -21.7720 -21.6839 -21.6839 -21.6837 -21.6837 -21.6605 -21.6605 -21.6604 -21.6604 -8.9129 -8.9129 -8.8369 -8.8369 -8.5573 -8.5573 -8.4945 -8.4945 -8.4896 -8.4896 -8.2827 -8.2827 -7.2266 -7.2266 -7.2236 -7.2236 -6.8174 -6.8174 -6.6930 -6.6930 -6.5674 -6.5674 -6.4175 -6.4175 -6.3968 -6.3968 -6.2957 -6.2957 -6.2013 -6.2013 -6.1476 -6.1476 -6.0461 -6.0461 -5.9893 -5.9893 -4.5706 -4.5706 -4.4017 -4.4017 4.3325 4.3325 4.3638 4.3638 4.4288 4.4288 4.5624 4.5624 4.5810 4.5810 4.7433 4.7433 6.1115 6.1115 6.1534 6.1534 6.4222 6.4222 6.7009 6.7009 6.7040 6.7040 6.7054 6.7054 7.3532 7.3532 7.3653 7.3653 7.8745 7.8745 7.8969 7.8969 k = 0.3333 0.5774 0.3770 ( 11862 PWs) bands (ev): -21.8172 -21.8172 -21.7748 -21.7748 -21.6825 -21.6825 -21.6824 -21.6824 -21.6618 -21.6618 -21.6617 -21.6617 -8.9089 -8.9089 -8.8417 -8.8417 -8.5544 -8.5544 -8.4987 -8.4987 -8.4773 -8.4773 -8.2942 -8.2942 -7.2253 -7.2253 -7.2226 -7.2226 -6.8135 -6.8135 -6.7009 -6.7009 -6.5574 -6.5574 -6.4249 -6.4249 -6.3884 -6.3884 -6.2844 -6.2844 -6.2157 -6.2157 -6.1538 -6.1538 -6.0432 -6.0432 -5.9929 -5.9929 -4.5603 -4.5603 -4.4104 -4.4104 4.3429 4.3429 4.3716 4.3716 4.4460 4.4460 4.5499 4.5499 4.5705 4.5705 4.7275 4.7275 6.1347 6.1347 6.1747 6.1747 6.4602 6.4602 6.6627 6.6627 6.6643 6.6643 6.7079 6.7079 7.3829 7.3829 7.3966 7.3966 7.8423 7.8423 7.8660 7.8660 k = 0.3333 0.5774 0.4006 ( 11889 PWs) bands (ev): -21.8144 -21.8144 -21.7776 -21.7776 -21.6811 -21.6811 -21.6810 -21.6810 -21.6632 -21.6632 -21.6631 -21.6631 -8.9047 -8.9047 -8.8467 -8.8467 -8.5512 -8.5512 -8.5031 -8.5031 -8.4646 -8.4646 -8.3062 -8.3062 -7.2243 -7.2243 -7.2215 -7.2215 -6.8087 -6.8087 -6.7092 -6.7092 -6.5473 -6.5473 -6.4327 -6.4327 -6.3794 -6.3794 -6.2734 -6.2734 -6.2300 -6.2300 -6.1605 -6.1605 -6.0402 -6.0402 -5.9966 -5.9966 -4.5496 -4.5496 -4.4196 -4.4196 4.3543 4.3543 4.3806 4.3806 4.4627 4.4627 4.5362 4.5362 4.5600 4.5600 4.7109 4.7109 6.1604 6.1604 6.1983 6.1983 6.4973 6.4973 6.6195 6.6195 6.6239 6.6239 6.7126 6.7126 7.4137 7.4137 7.4291 7.4291 7.8103 7.8103 7.8349 7.8349 k = 0.3333 0.5774 0.4241 ( 11856 PWs) bands (ev): -21.8115 -21.8115 -21.7806 -21.7806 -21.6797 -21.6797 -21.6796 -21.6796 -21.6646 -21.6646 -21.6645 -21.6645 -8.9004 -8.9004 -8.8517 -8.8517 -8.5479 -8.5479 -8.5074 -8.5074 -8.4516 -8.4516 -8.3185 -8.3185 -7.2235 -7.2235 -7.2205 -7.2205 -6.8029 -6.8029 -6.7178 -6.7178 -6.5371 -6.5371 -6.4409 -6.4409 -6.3698 -6.3698 -6.2629 -6.2629 -6.2439 -6.2439 -6.1677 -6.1677 -6.0371 -6.0371 -6.0004 -6.0004 -4.5387 -4.5387 -4.4293 -4.4293 4.3668 4.3668 4.3908 4.3908 4.4774 4.4774 4.5217 4.5217 4.5510 4.5510 4.6936 4.6936 6.1886 6.1886 6.2242 6.2242 6.5324 6.5324 6.5762 6.5762 6.5830 6.5830 6.7148 6.7148 7.4456 7.4456 7.4626 7.4626 7.7782 7.7782 7.8034 7.8034 k = 0.3333 0.5774 0.4477 ( 11859 PWs) bands (ev): -21.8085 -21.8085 -21.7836 -21.7836 -21.6782 -21.6782 -21.6781 -21.6781 -21.6661 -21.6661 -21.6660 -21.6660 -8.8959 -8.8959 -8.8567 -8.8567 -8.5444 -8.5444 -8.5118 -8.5118 -8.4384 -8.4384 -8.3312 -8.3312 -7.2227 -7.2227 -7.2199 -7.2199 -6.7963 -6.7963 -6.7268 -6.7268 -6.5268 -6.5268 -6.4494 -6.4494 -6.3596 -6.3596 -6.2610 -6.2610 -6.2492 -6.2492 -6.1753 -6.1753 -6.0338 -6.0338 -6.0042 -6.0042 -4.5276 -4.5276 -4.4393 -4.4393 4.3803 4.3803 4.4020 4.4020 4.4869 4.4869 4.5064 4.5064 4.5470 4.5470 4.6757 4.6757 6.2192 6.2192 6.2523 6.2523 6.5307 6.5307 6.5421 6.5421 6.5678 6.5678 6.7139 6.7139 7.4783 7.4783 7.4968 7.4968 7.7459 7.7459 7.7714 7.7714 k = 0.3333 0.5774 0.4713 ( 11874 PWs) bands (ev): -21.8055 -21.8055 -21.7867 -21.7867 -21.6768 -21.6768 -21.6767 -21.6767 -21.6676 -21.6676 -21.6675 -21.6675 -8.8913 -8.8913 -8.8617 -8.8617 -8.5407 -8.5407 -8.5161 -8.5161 -8.4250 -8.4250 -8.3442 -8.3442 -7.2220 -7.2220 -7.2195 -7.2195 -6.7890 -6.7890 -6.7360 -6.7360 -6.5165 -6.5165 -6.4582 -6.4582 -6.3488 -6.3488 -6.2737 -6.2737 -6.2398 -6.2398 -6.1833 -6.1833 -6.0304 -6.0304 -6.0081 -6.0081 -4.5164 -4.5164 -4.4497 -4.4497 4.3946 4.3946 4.4141 4.4141 4.4868 4.4868 4.4905 4.4905 4.5522 4.5522 4.6572 4.6572 6.2521 6.2521 6.2827 6.2827 6.4879 6.4879 6.5015 6.5015 6.5982 6.5982 6.7095 6.7095 7.5116 7.5116 7.5315 7.5315 7.7132 7.7132 7.7386 7.7386 k = 0.3333 0.5774 0.4948 ( 11886 PWs) bands (ev): -21.8024 -21.8024 -21.7898 -21.7898 -21.6752 -21.6752 -21.6751 -21.6751 -21.6691 -21.6691 -21.6690 -21.6690 -8.8865 -8.8865 -8.8668 -8.8668 -8.5369 -8.5369 -8.5204 -8.5204 -8.4115 -8.4115 -8.3574 -8.3574 -7.2212 -7.2212 -7.2194 -7.2194 -6.7810 -6.7810 -6.7452 -6.7452 -6.5063 -6.5063 -6.4673 -6.4673 -6.3375 -6.3375 -6.2872 -6.2872 -6.2297 -6.2297 -6.1918 -6.1918 -6.0268 -6.0268 -6.0119 -6.0119 -4.5051 -4.5051 -4.4604 -4.4604 4.4097 4.4097 4.4270 4.4270 4.4742 4.4742 4.4788 4.4788 4.5653 4.5653 4.6384 4.6384 6.2872 6.2872 6.3150 6.3150 6.4452 6.4452 6.4617 6.4617 6.6262 6.6262 6.7010 6.7010 7.5453 7.5453 7.5665 7.5665 7.6801 7.6801 7.7051 7.7051 k = 0.3333 0.5774 0.5184 ( 11886 PWs) bands (ev): -21.7992 -21.7992 -21.7929 -21.7929 -21.6737 -21.6737 -21.6736 -21.6736 -21.6706 -21.6706 -21.6705 -21.6705 -8.8817 -8.8817 -8.8718 -8.8718 -8.5329 -8.5329 -8.5247 -8.5247 -8.3979 -8.3979 -8.3708 -8.3708 -7.2206 -7.2206 -7.2196 -7.2196 -6.7725 -6.7725 -6.7545 -6.7545 -6.4963 -6.4963 -6.4767 -6.4767 -6.3256 -6.3256 -6.3004 -6.3004 -6.2197 -6.2197 -6.2007 -6.2007 -6.0232 -6.0232 -6.0157 -6.0157 -4.4938 -4.4938 -4.4714 -4.4714 4.4254 4.4254 4.4403 4.4403 4.4578 4.4578 4.4670 4.4670 4.5822 4.5822 4.6194 4.6194 6.3243 6.3243 6.3493 6.3493 6.4035 6.4035 6.4229 6.4229 6.6508 6.6508 6.6884 6.6884 7.5791 7.5791 7.6016 7.6016 7.6467 7.6467 7.6710 7.6710 k = 0.3333 0.5774 0.5420 ( 11904 PWs) bands (ev): -21.7961 -21.7961 -21.7961 -21.7961 -21.6722 -21.6722 -21.6722 -21.6722 -21.6721 -21.6721 -21.6721 -21.6721 -8.8768 -8.8768 -8.8768 -8.8768 -8.5289 -8.5289 -8.5289 -8.5289 -8.3843 -8.3843 -8.3843 -8.3843 -7.2201 -7.2201 -7.2200 -7.2200 -6.7637 -6.7637 -6.7637 -6.7637 -6.4864 -6.4864 -6.4864 -6.4864 -6.3133 -6.3133 -6.3133 -6.3133 -6.2101 -6.2101 -6.2101 -6.2101 -6.0195 -6.0195 -6.0195 -6.0195 -4.4825 -4.4825 -4.4824 -4.4824 4.4414 4.4414 4.4416 4.4416 4.4538 4.4538 4.4539 4.4539 4.6005 4.6005 4.6006 4.6006 6.3631 6.3631 6.3631 6.3631 6.3853 6.3853 6.3853 6.3853 6.6716 6.6716 6.6716 6.6716 7.6130 7.6130 7.6130 7.6130 7.6365 7.6365 7.6365 7.6365 Writing output data file Ba3N.save init_run : 0.43s CPU 0.64s WALL ( 1 calls) electrons : 347.71s CPU 351.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 347.71s CPU 351.44s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 210 calls) cegterg : 325.62s CPU 328.48s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 196.88s CPU 199.98s WALL ( 5307 calls) s_psi : 11.69s CPU 11.80s WALL ( 5307 calls) g_psi : 0.35s CPU 0.39s WALL ( 4739 calls) cdiaghg : 94.30s CPU 94.52s WALL ( 4949 calls) cegterg:over : 16.54s CPU 16.50s WALL ( 4739 calls) cegterg:upda : 11.12s CPU 11.22s WALL ( 4739 calls) cegterg:last : 8.34s CPU 8.30s WALL ( 978 calls) cdiaghg:chol : 4.08s CPU 4.25s WALL ( 4949 calls) cdiaghg:inve : 3.06s CPU 2.96s WALL ( 4949 calls) cdiaghg:para : 6.20s CPU 6.02s WALL ( 9898 calls) Called by h_psi: h_psi:vloc : 170.61s CPU 173.69s WALL ( 5307 calls) h_psi:vnl : 25.84s CPU 25.85s WALL ( 5307 calls) add_vuspsi : 13.44s CPU 13.47s WALL ( 5307 calls) General routines calbec : 12.38s CPU 12.36s WALL ( 5307 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 160.62s CPU 163.18s WALL ( 900336 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.27s WALL ( 420 calls) Parallel routines fft_scatter : 95.98s CPU 96.96s WALL ( 900359 calls) PWSCF : 6m31.13s CPU 6m51.02s WALL This run was terminated on: 22:50:10 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=