Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:30:34 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H4CO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 33 9 3873 1679 257 Max 60 34 10 3878 1698 266 Sum 2127 1219 353 139517 60813 9457 bravais-lattice index = 14 lattice parameter (alat) = 8.7814 a.u. unit-cell volume = 1397.1963 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.781368 celldm(2)= 1.060600 celldm(3)= 1.945448 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.060600 0.000000 ) a(3) = ( 0.000000 0.000000 1.945448 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.942863 -0.000000 ) b(3) = ( 0.000000 0.000000 0.514021 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops. (no inversion) found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9727238 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5302998 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9727238 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5302998 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0441177 -0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0735294 -0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.1029412 -0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1323529 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1617647 -0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1911765 -0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.2205882 -0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2794118 -0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.3382353 -0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.3676471 -0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3970588 -0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.4558823 -0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.5000000 0.0147322 -0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 0.0294645 -0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 0.0441967 -0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0589289 -0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0736612 -0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.0883934 -0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.1031256 -0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.1178579 -0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.1325901 -0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.1473223 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.1620546 -0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.1767868 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.1915190 -0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.2062513 -0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.2209835 -0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.2357157 -0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.2504480 -0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.2651802 -0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.2799124 -0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.2946447 -0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.3093769 -0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.3241091 -0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.3388414 -0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.3535736 -0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.3683058 -0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.3830381 -0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.3977703 -0.0000000), wk = 0.0028736 k( 64) = ( 0.5000000 0.4125025 -0.0000000), wk = 0.0028736 k( 65) = ( 0.5000000 0.4272348 -0.0000000), wk = 0.0028736 k( 66) = ( 0.5000000 0.4419670 -0.0000000), wk = 0.0028736 k( 67) = ( 0.5000000 0.4566992 -0.0000000), wk = 0.0028736 k( 68) = ( 0.5000000 0.4714315 -0.0000000), wk = 0.0028736 k( 69) = ( 0.5000000 0.4714315 -0.0000000), wk = 0.0028736 k( 70) = ( 0.4852941 0.4714315 -0.0000000), wk = 0.0028736 k( 71) = ( 0.4705882 0.4714315 -0.0000000), wk = 0.0028736 k( 72) = ( 0.4558823 0.4714315 -0.0000000), wk = 0.0028736 k( 73) = ( 0.4411765 0.4714315 -0.0000000), wk = 0.0028736 k( 74) = ( 0.4264706 0.4714315 -0.0000000), wk = 0.0028736 k( 75) = ( 0.4117647 0.4714315 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3970588 0.4714315 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3823529 0.4714315 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3676471 0.4714315 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3529412 0.4714315 -0.0000000), wk = 0.0028736 k( 80) = ( 0.3382353 0.4714315 -0.0000000), wk = 0.0028736 k( 81) = ( 0.3235294 0.4714315 -0.0000000), wk = 0.0028736 k( 82) = ( 0.3088235 0.4714315 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2941177 0.4714315 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2794118 0.4714315 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2647059 0.4714315 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2500000 0.4714315 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2352941 0.4714315 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2205882 0.4714315 -0.0000000), wk = 0.0028736 k( 89) = ( 0.2058823 0.4714315 -0.0000000), wk = 0.0028736 k( 90) = ( 0.1911765 0.4714315 -0.0000000), wk = 0.0028736 k( 91) = ( 0.1764706 0.4714315 -0.0000000), wk = 0.0028736 k( 92) = ( 0.1617647 0.4714315 -0.0000000), wk = 0.0028736 k( 93) = ( 0.1470588 0.4714315 -0.0000000), wk = 0.0028736 k( 94) = ( 0.1323529 0.4714315 -0.0000000), wk = 0.0028736 k( 95) = ( 0.1176471 0.4714315 -0.0000000), wk = 0.0028736 k( 96) = ( 0.1029412 0.4714315 -0.0000000), wk = 0.0028736 k( 97) = ( 0.0882353 0.4714315 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0735294 0.4714315 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0588235 0.4714315 -0.0000000), wk = 0.0028736 k( 100) = ( 0.0441177 0.4714315 -0.0000000), wk = 0.0028736 k( 101) = ( 0.0294118 0.4714315 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0147059 0.4714315 -0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.4714315 -0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.4714315 -0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.4566992 -0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.4419670 -0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.4272348 -0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.4125025 -0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.3977703 -0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.3830381 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.3683058 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.3535736 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.3388414 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.3241091 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.3093769 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.2946447 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.2799124 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.2651802 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.2504480 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.2357157 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.2209835 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.2062513 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.1915190 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.1767868 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.1620546 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.1473223 -0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.1325901 -0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.1178579 -0.0000000), wk = 0.0028736 k( 129) = ( 0.0000000 0.1031256 -0.0000000), wk = 0.0028736 k( 130) = ( 0.0000000 0.0883934 -0.0000000), wk = 0.0028736 k( 131) = ( 0.0000000 0.0736612 -0.0000000), wk = 0.0028736 k( 132) = ( 0.0000000 0.0589289 -0.0000000), wk = 0.0028736 k( 133) = ( 0.0000000 0.0441967 -0.0000000), wk = 0.0028736 k( 134) = ( 0.0000000 0.0294645 -0.0000000), wk = 0.0028736 k( 135) = ( 0.0000000 0.0147322 -0.0000000), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.0142783), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.0285567), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.0428350), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.0571134), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.0713917), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.0856701), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.0999484), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.1142268), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.1285051), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.1427835), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.1570618), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.1713402), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.1856185), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.1998969), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.2141752), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.2284536), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.2427319), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.2570103), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.2570103), wk = 0.0028736 k( 157) = ( 0.0147059 -0.0000000 0.2570103), wk = 0.0028736 k( 158) = ( 0.0294118 -0.0000000 0.2570103), wk = 0.0028736 k( 159) = ( 0.0441177 -0.0000000 0.2570103), wk = 0.0028736 k( 160) = ( 0.0588235 -0.0000000 0.2570103), wk = 0.0028736 k( 161) = ( 0.0735294 -0.0000000 0.2570103), wk = 0.0028736 k( 162) = ( 0.0882353 -0.0000000 0.2570103), wk = 0.0028736 k( 163) = ( 0.1029412 -0.0000000 0.2570103), wk = 0.0028736 k( 164) = ( 0.1176471 -0.0000000 0.2570103), wk = 0.0028736 k( 165) = ( 0.1323529 -0.0000000 0.2570103), wk = 0.0028736 k( 166) = ( 0.1470588 -0.0000000 0.2570103), wk = 0.0028736 k( 167) = ( 0.1617647 -0.0000000 0.2570103), wk = 0.0028736 k( 168) = ( 0.1764706 -0.0000000 0.2570103), wk = 0.0028736 k( 169) = ( 0.1911765 -0.0000000 0.2570103), wk = 0.0028736 k( 170) = ( 0.2058823 -0.0000000 0.2570103), wk = 0.0028736 k( 171) = ( 0.2205882 -0.0000000 0.2570103), wk = 0.0028736 k( 172) = ( 0.2352941 -0.0000000 0.2570103), wk = 0.0028736 k( 173) = ( 0.2500000 -0.0000000 0.2570103), wk = 0.0028736 k( 174) = ( 0.2647059 -0.0000000 0.2570103), wk = 0.0028736 k( 175) = ( 0.2794118 -0.0000000 0.2570103), wk = 0.0028736 k( 176) = ( 0.2941177 -0.0000000 0.2570103), wk = 0.0028736 k( 177) = ( 0.3088235 -0.0000000 0.2570103), wk = 0.0028736 k( 178) = ( 0.3235294 -0.0000000 0.2570103), wk = 0.0028736 k( 179) = ( 0.3382353 -0.0000000 0.2570103), wk = 0.0028736 k( 180) = ( 0.3529412 -0.0000000 0.2570103), wk = 0.0028736 k( 181) = ( 0.3676471 -0.0000000 0.2570103), wk = 0.0028736 k( 182) = ( 0.3823529 -0.0000000 0.2570103), wk = 0.0028736 k( 183) = ( 0.3970588 -0.0000000 0.2570103), wk = 0.0028736 k( 184) = ( 0.4117647 -0.0000000 0.2570103), wk = 0.0028736 k( 185) = ( 0.4264706 -0.0000000 0.2570103), wk = 0.0028736 k( 186) = ( 0.4411765 -0.0000000 0.2570103), wk = 0.0028736 k( 187) = ( 0.4558823 -0.0000000 0.2570103), wk = 0.0028736 k( 188) = ( 0.4705882 -0.0000000 0.2570103), wk = 0.0028736 k( 189) = ( 0.4852941 -0.0000000 0.2570103), wk = 0.0028736 k( 190) = ( 0.5000000 -0.0000000 0.2570103), wk = 0.0028736 k( 191) = ( 0.5000000 -0.0000000 0.2570103), wk = 0.0028736 k( 192) = ( 0.5000000 0.0147322 0.2570103), wk = 0.0028736 k( 193) = ( 0.5000000 0.0294645 0.2570103), wk = 0.0028736 k( 194) = ( 0.5000000 0.0441967 0.2570103), wk = 0.0028736 k( 195) = ( 0.5000000 0.0589289 0.2570103), wk = 0.0028736 k( 196) = ( 0.5000000 0.0736612 0.2570103), wk = 0.0028736 k( 197) = ( 0.5000000 0.0883934 0.2570103), wk = 0.0028736 k( 198) = ( 0.5000000 0.1031256 0.2570103), wk = 0.0028736 k( 199) = ( 0.5000000 0.1178579 0.2570103), wk = 0.0028736 k( 200) = ( 0.5000000 0.1325901 0.2570103), wk = 0.0028736 k( 201) = ( 0.5000000 0.1473223 0.2570103), wk = 0.0028736 k( 202) = ( 0.5000000 0.1620546 0.2570103), wk = 0.0028736 k( 203) = ( 0.5000000 0.1767868 0.2570103), wk = 0.0028736 k( 204) = ( 0.5000000 0.1915190 0.2570103), wk = 0.0028736 k( 205) = ( 0.5000000 0.2062513 0.2570103), wk = 0.0028736 k( 206) = ( 0.5000000 0.2209835 0.2570103), wk = 0.0028736 k( 207) = ( 0.5000000 0.2357157 0.2570103), wk = 0.0028736 k( 208) = ( 0.5000000 0.2504480 0.2570103), wk = 0.0028736 k( 209) = ( 0.5000000 0.2651802 0.2570103), wk = 0.0028736 k( 210) = ( 0.5000000 0.2799124 0.2570103), wk = 0.0028736 k( 211) = ( 0.5000000 0.2946447 0.2570103), wk = 0.0028736 k( 212) = ( 0.5000000 0.3093769 0.2570103), wk = 0.0028736 k( 213) = ( 0.5000000 0.3241091 0.2570103), wk = 0.0028736 k( 214) = ( 0.5000000 0.3388414 0.2570103), wk = 0.0028736 k( 215) = ( 0.5000000 0.3535736 0.2570103), wk = 0.0028736 k( 216) = ( 0.5000000 0.3683058 0.2570103), wk = 0.0028736 k( 217) = ( 0.5000000 0.3830381 0.2570103), wk = 0.0028736 k( 218) = ( 0.5000000 0.3977703 0.2570103), wk = 0.0028736 k( 219) = ( 0.5000000 0.4125025 0.2570103), wk = 0.0028736 k( 220) = ( 0.5000000 0.4272348 0.2570103), wk = 0.0028736 k( 221) = ( 0.5000000 0.4419670 0.2570103), wk = 0.0028736 k( 222) = ( 0.5000000 0.4566992 0.2570103), wk = 0.0028736 k( 223) = ( 0.5000000 0.4714315 0.2570103), wk = 0.0028736 k( 224) = ( 0.5000000 0.4714315 0.2570103), wk = 0.0028736 k( 225) = ( 0.4852941 0.4714315 0.2570103), wk = 0.0028736 k( 226) = ( 0.4705882 0.4714315 0.2570103), wk = 0.0028736 k( 227) = ( 0.4558823 0.4714315 0.2570103), wk = 0.0028736 k( 228) = ( 0.4411765 0.4714315 0.2570103), wk = 0.0028736 k( 229) = ( 0.4264706 0.4714315 0.2570103), wk = 0.0028736 k( 230) = ( 0.4117647 0.4714315 0.2570103), wk = 0.0028736 k( 231) = ( 0.3970588 0.4714315 0.2570103), wk = 0.0028736 k( 232) = ( 0.3823529 0.4714315 0.2570103), wk = 0.0028736 k( 233) = ( 0.3676471 0.4714315 0.2570103), wk = 0.0028736 k( 234) = ( 0.3529412 0.4714315 0.2570103), wk = 0.0028736 k( 235) = ( 0.3382353 0.4714315 0.2570103), wk = 0.0028736 k( 236) = ( 0.3235294 0.4714315 0.2570103), wk = 0.0028736 k( 237) = ( 0.3088235 0.4714315 0.2570103), wk = 0.0028736 k( 238) = ( 0.2941177 0.4714315 0.2570103), wk = 0.0028736 k( 239) = ( 0.2794118 0.4714315 0.2570103), wk = 0.0028736 k( 240) = ( 0.2647059 0.4714315 0.2570103), wk = 0.0028736 k( 241) = ( 0.2500000 0.4714315 0.2570103), wk = 0.0028736 k( 242) = ( 0.2352941 0.4714315 0.2570103), wk = 0.0028736 k( 243) = ( 0.2205882 0.4714315 0.2570103), wk = 0.0028736 k( 244) = ( 0.2058823 0.4714315 0.2570103), wk = 0.0028736 k( 245) = ( 0.1911765 0.4714315 0.2570103), wk = 0.0028736 k( 246) = ( 0.1764706 0.4714315 0.2570103), wk = 0.0028736 k( 247) = ( 0.1617647 0.4714315 0.2570103), wk = 0.0028736 k( 248) = ( 0.1470588 0.4714315 0.2570103), wk = 0.0028736 k( 249) = ( 0.1323529 0.4714315 0.2570103), wk = 0.0028736 k( 250) = ( 0.1176471 0.4714315 0.2570103), wk = 0.0028736 k( 251) = ( 0.1029412 0.4714315 0.2570103), wk = 0.0028736 k( 252) = ( 0.0882353 0.4714315 0.2570103), wk = 0.0028736 k( 253) = ( 0.0735294 0.4714315 0.2570103), wk = 0.0028736 k( 254) = ( 0.0588235 0.4714315 0.2570103), wk = 0.0028736 k( 255) = ( 0.0441177 0.4714315 0.2570103), wk = 0.0028736 k( 256) = ( 0.0294118 0.4714315 0.2570103), wk = 0.0028736 k( 257) = ( 0.0147059 0.4714315 0.2570103), wk = 0.0028736 k( 258) = ( 0.0000000 0.4714315 0.2570103), wk = 0.0028736 k( 259) = ( 0.0000000 0.4714315 0.2570103), wk = 0.0028736 k( 260) = ( 0.0000000 0.4566992 0.2570103), wk = 0.0028736 k( 261) = ( 0.0000000 0.4419670 0.2570103), wk = 0.0028736 k( 262) = ( 0.0000000 0.4272348 0.2570103), wk = 0.0028736 k( 263) = ( 0.0000000 0.4125025 0.2570103), wk = 0.0028736 k( 264) = ( 0.0000000 0.3977703 0.2570103), wk = 0.0028736 k( 265) = ( 0.0000000 0.3830381 0.2570103), wk = 0.0028736 k( 266) = ( 0.0000000 0.3683058 0.2570103), wk = 0.0028736 k( 267) = ( 0.0000000 0.3535736 0.2570103), wk = 0.0028736 k( 268) = ( 0.0000000 0.3388414 0.2570103), wk = 0.0028736 k( 269) = ( 0.0000000 0.3241091 0.2570103), wk = 0.0028736 k( 270) = ( 0.0000000 0.3093769 0.2570103), wk = 0.0028736 k( 271) = ( 0.0000000 0.2946447 0.2570103), wk = 0.0028736 k( 272) = ( 0.0000000 0.2799124 0.2570103), wk = 0.0028736 k( 273) = ( 0.0000000 0.2651802 0.2570103), wk = 0.0028736 k( 274) = ( 0.0000000 0.2504480 0.2570103), wk = 0.0028736 k( 275) = ( 0.0000000 0.2357157 0.2570103), wk = 0.0028736 k( 276) = ( 0.0000000 0.2209835 0.2570103), wk = 0.0028736 k( 277) = ( 0.0000000 0.2062513 0.2570103), wk = 0.0028736 k( 278) = ( 0.0000000 0.1915190 0.2570103), wk = 0.0028736 k( 279) = ( 0.0000000 0.1767868 0.2570103), wk = 0.0028736 k( 280) = ( 0.0000000 0.1620546 0.2570103), wk = 0.0028736 k( 281) = ( 0.0000000 0.1473223 0.2570103), wk = 0.0028736 k( 282) = ( 0.0000000 0.1325901 0.2570103), wk = 0.0028736 k( 283) = ( 0.0000000 0.1178579 0.2570103), wk = 0.0028736 k( 284) = ( 0.0000000 0.1031256 0.2570103), wk = 0.0028736 k( 285) = ( 0.0000000 0.0883934 0.2570103), wk = 0.0028736 k( 286) = ( 0.0000000 0.0736612 0.2570103), wk = 0.0028736 k( 287) = ( 0.0000000 0.0589289 0.2570103), wk = 0.0028736 k( 288) = ( 0.0000000 0.0441967 0.2570103), wk = 0.0028736 k( 289) = ( 0.0000000 0.0294645 0.2570103), wk = 0.0028736 k( 290) = ( 0.0000000 0.0147322 0.2570103), wk = 0.0028736 k( 291) = ( 0.0000000 0.0000000 0.2570103), wk = 0.0028736 k( 292) = ( 0.0000000 0.4714315 -0.0000000), wk = 0.0028736 k( 293) = ( 0.0000000 0.4714315 0.0142783), wk = 0.0028736 k( 294) = ( 0.0000000 0.4714315 0.0285567), wk = 0.0028736 k( 295) = ( 0.0000000 0.4714315 0.0428350), wk = 0.0028736 k( 296) = ( 0.0000000 0.4714315 0.0571134), wk = 0.0028736 k( 297) = ( 0.0000000 0.4714315 0.0713917), wk = 0.0028736 k( 298) = ( 0.0000000 0.4714315 0.0856701), wk = 0.0028736 k( 299) = ( 0.0000000 0.4714315 0.0999484), wk = 0.0028736 k( 300) = ( 0.0000000 0.4714315 0.1142268), wk = 0.0028736 k( 301) = ( 0.0000000 0.4714315 0.1285051), wk = 0.0028736 k( 302) = ( 0.0000000 0.4714315 0.1427835), wk = 0.0028736 k( 303) = ( 0.0000000 0.4714315 0.1570618), wk = 0.0028736 k( 304) = ( 0.0000000 0.4714315 0.1713402), wk = 0.0028736 k( 305) = ( 0.0000000 0.4714315 0.1856185), wk = 0.0028736 k( 306) = ( 0.0000000 0.4714315 0.1998969), wk = 0.0028736 k( 307) = ( 0.0000000 0.4714315 0.2141752), wk = 0.0028736 k( 308) = ( 0.0000000 0.4714315 0.2284536), wk = 0.0028736 k( 309) = ( 0.0000000 0.4714315 0.2427319), wk = 0.0028736 k( 310) = ( 0.0000000 0.4714315 0.2570103), wk = 0.0028736 k( 311) = ( 0.5000000 -0.0000000 0.2570103), wk = 0.0028736 k( 312) = ( 0.5000000 -0.0000000 0.2427319), wk = 0.0028736 k( 313) = ( 0.5000000 -0.0000000 0.2284536), wk = 0.0028736 k( 314) = ( 0.5000000 -0.0000000 0.2141752), wk = 0.0028736 k( 315) = ( 0.5000000 -0.0000000 0.1998969), wk = 0.0028736 k( 316) = ( 0.5000000 -0.0000000 0.1856185), wk = 0.0028736 k( 317) = ( 0.5000000 -0.0000000 0.1713402), wk = 0.0028736 k( 318) = ( 0.5000000 -0.0000000 0.1570618), wk = 0.0028736 k( 319) = ( 0.5000000 -0.0000000 0.1427835), wk = 0.0028736 k( 320) = ( 0.5000000 -0.0000000 0.1285051), wk = 0.0028736 k( 321) = ( 0.5000000 -0.0000000 0.1142268), wk = 0.0028736 k( 322) = ( 0.5000000 -0.0000000 0.0999484), wk = 0.0028736 k( 323) = ( 0.5000000 -0.0000000 0.0856701), wk = 0.0028736 k( 324) = ( 0.5000000 -0.0000000 0.0713917), wk = 0.0028736 k( 325) = ( 0.5000000 -0.0000000 0.0571134), wk = 0.0028736 k( 326) = ( 0.5000000 -0.0000000 0.0428350), wk = 0.0028736 k( 327) = ( 0.5000000 -0.0000000 0.0285567), wk = 0.0028736 k( 328) = ( 0.5000000 -0.0000000 0.0142783), wk = 0.0028736 k( 329) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 330) = ( 0.5000000 0.4714315 -0.0000000), wk = 0.0028736 k( 331) = ( 0.5000000 0.4714315 0.0142783), wk = 0.0028736 k( 332) = ( 0.5000000 0.4714315 0.0285567), wk = 0.0028736 k( 333) = ( 0.5000000 0.4714315 0.0428350), wk = 0.0028736 k( 334) = ( 0.5000000 0.4714315 0.0571134), wk = 0.0028736 k( 335) = ( 0.5000000 0.4714315 0.0713917), wk = 0.0028736 k( 336) = ( 0.5000000 0.4714315 0.0856701), wk = 0.0028736 k( 337) = ( 0.5000000 0.4714315 0.0999484), wk = 0.0028736 k( 338) = ( 0.5000000 0.4714315 0.1142268), wk = 0.0028736 k( 339) = ( 0.5000000 0.4714315 0.1285051), wk = 0.0028736 k( 340) = ( 0.5000000 0.4714315 0.1427835), wk = 0.0028736 k( 341) = ( 0.5000000 0.4714315 0.1570618), wk = 0.0028736 k( 342) = ( 0.5000000 0.4714315 0.1713402), wk = 0.0028736 k( 343) = ( 0.5000000 0.4714315 0.1856185), wk = 0.0028736 k( 344) = ( 0.5000000 0.4714315 0.1998969), wk = 0.0028736 k( 345) = ( 0.5000000 0.4714315 0.2141752), wk = 0.0028736 k( 346) = ( 0.5000000 0.4714315 0.2284536), wk = 0.0028736 k( 347) = ( 0.5000000 0.4714315 0.2427319), wk = 0.0028736 k( 348) = ( 0.5000000 0.4714315 0.2570103), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0147059 -0.0000000 0.0000000), wk = 0.0028736 k( 3) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0441177 -0.0000000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0588235 -0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0735294 0.0000000 0.0000000), wk = 0.0028736 k( 7) = ( 0.0882353 -0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.1029412 0.0000000 0.0000000), wk = 0.0028736 k( 9) = ( 0.1176471 -0.0000000 0.0000000), wk = 0.0028736 k( 10) = ( 0.1323529 -0.0000000 0.0000000), wk = 0.0028736 k( 11) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0028736 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0028736 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0028736 k( 15) = ( 0.2058823 -0.0000000 0.0000000), wk = 0.0028736 k( 16) = ( 0.2205882 -0.0000000 0.0000000), wk = 0.0028736 k( 17) = ( 0.2352941 -0.0000000 0.0000000), wk = 0.0028736 k( 18) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028736 k( 19) = ( 0.2647059 -0.0000000 0.0000000), wk = 0.0028736 k( 20) = ( 0.2794118 -0.0000000 0.0000000), wk = 0.0028736 k( 21) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0028736 k( 22) = ( 0.3088235 0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.3382353 -0.0000000 0.0000000), wk = 0.0028736 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.3676471 -0.0000000 0.0000000), wk = 0.0028736 k( 27) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0028736 k( 28) = ( 0.3970588 -0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0028736 k( 32) = ( 0.4558823 -0.0000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.4705882 -0.0000000 0.0000000), wk = 0.0028736 k( 34) = ( 0.4852941 -0.0000000 0.0000000), wk = 0.0028736 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 37) = ( 0.5000000 0.0156250 0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 0.0312500 -0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 0.0468750 0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0781250 0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.0937500 -0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.1093750 0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.1406250 0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.1562500 0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.1718750 -0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.1875000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.2031250 -0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.2187500 -0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.2343750 0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.2656250 0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.2812500 0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.2968750 0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.3281250 -0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.3437500 0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.3593750 0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.3750000 -0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.3906250 0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.4062500 0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.4218750 0.0000000), wk = 0.0028736 k( 64) = ( 0.5000000 0.4375000 -0.0000000), wk = 0.0028736 k( 65) = ( 0.5000000 0.4531250 0.0000000), wk = 0.0028736 k( 66) = ( 0.5000000 0.4687500 0.0000000), wk = 0.0028736 k( 67) = ( 0.5000000 0.4843750 -0.0000000), wk = 0.0028736 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 70) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0028736 k( 71) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0028736 k( 72) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0028736 k( 73) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0028736 k( 74) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0028736 k( 75) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0028736 k( 76) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0028736 k( 77) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0028736 k( 80) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0028736 k( 81) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0028736 k( 82) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0028736 k( 86) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0028736 k( 89) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0028736 k( 90) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0028736 k( 91) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0028736 k( 92) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0028736 k( 93) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0028736 k( 94) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0028736 k( 95) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0028736 k( 96) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0028736 k( 97) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0028736 k( 100) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0028736 k( 101) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.4218750 0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028736 k( 129) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0028736 k( 130) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0028736 k( 131) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0028736 k( 132) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028736 k( 133) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0028736 k( 134) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0028736 k( 135) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 157) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0028736 k( 158) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.0441177 -0.0000000 0.5000000), wk = 0.0028736 k( 160) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0028736 k( 161) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.2205882 -0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.3382353 -0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.3676471 -0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.3970588 -0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.4264706 -0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.4558823 -0.0000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 192) = ( 0.5000000 0.0156250 0.5000000), wk = 0.0028736 k( 193) = ( 0.5000000 0.0312500 0.5000000), wk = 0.0028736 k( 194) = ( 0.5000000 0.0468750 0.5000000), wk = 0.0028736 k( 195) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0028736 k( 196) = ( 0.5000000 0.0781250 0.5000000), wk = 0.0028736 k( 197) = ( 0.5000000 0.0937500 0.5000000), wk = 0.0028736 k( 198) = ( 0.5000000 0.1093750 0.5000000), wk = 0.0028736 k( 199) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0028736 k( 200) = ( 0.5000000 0.1406250 0.5000000), wk = 0.0028736 k( 201) = ( 0.5000000 0.1562500 0.5000000), wk = 0.0028736 k( 202) = ( 0.5000000 0.1718750 0.5000000), wk = 0.0028736 k( 203) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0028736 k( 204) = ( 0.5000000 0.2031250 0.5000000), wk = 0.0028736 k( 205) = ( 0.5000000 0.2187500 0.5000000), wk = 0.0028736 k( 206) = ( 0.5000000 0.2343750 0.5000000), wk = 0.0028736 k( 207) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0028736 k( 208) = ( 0.5000000 0.2656250 0.5000000), wk = 0.0028736 k( 209) = ( 0.5000000 0.2812500 0.5000000), wk = 0.0028736 k( 210) = ( 0.5000000 0.2968750 0.5000000), wk = 0.0028736 k( 211) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0028736 k( 212) = ( 0.5000000 0.3281250 0.5000000), wk = 0.0028736 k( 213) = ( 0.5000000 0.3437500 0.5000000), wk = 0.0028736 k( 214) = ( 0.5000000 0.3593750 0.5000000), wk = 0.0028736 k( 215) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0028736 k( 216) = ( 0.5000000 0.3906250 0.5000000), wk = 0.0028736 k( 217) = ( 0.5000000 0.4062500 0.5000000), wk = 0.0028736 k( 218) = ( 0.5000000 0.4218750 0.5000000), wk = 0.0028736 k( 219) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0028736 k( 220) = ( 0.5000000 0.4531250 0.5000000), wk = 0.0028736 k( 221) = ( 0.5000000 0.4687500 0.5000000), wk = 0.0028736 k( 222) = ( 0.5000000 0.4843750 0.5000000), wk = 0.0028736 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 225) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0028736 k( 226) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0028736 k( 227) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0028736 k( 228) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0028736 k( 229) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0028736 k( 230) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0028736 k( 231) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0028736 k( 232) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0028736 k( 233) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0028736 k( 234) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0028736 k( 235) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0028736 k( 236) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0028736 k( 237) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0028736 k( 238) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0028736 k( 239) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0028736 k( 240) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0028736 k( 241) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028736 k( 242) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0028736 k( 243) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0028736 k( 244) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0028736 k( 245) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0028736 k( 246) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0028736 k( 247) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0028736 k( 248) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0028736 k( 249) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0028736 k( 250) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0028736 k( 251) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0028736 k( 252) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0028736 k( 253) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0028736 k( 254) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0028736 k( 255) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0028736 k( 256) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0028736 k( 257) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0028736 k( 258) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 259) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 260) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0028736 k( 261) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0028736 k( 262) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0028736 k( 263) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0028736 k( 264) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0028736 k( 265) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0028736 k( 266) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0028736 k( 267) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028736 k( 268) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0028736 k( 269) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0028736 k( 270) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0028736 k( 271) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0028736 k( 272) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0028736 k( 273) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0028736 k( 274) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0028736 k( 275) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028736 k( 276) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0028736 k( 277) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0028736 k( 278) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0028736 k( 279) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0028736 k( 280) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0028736 k( 281) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0028736 k( 282) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0028736 k( 283) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028736 k( 284) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0028736 k( 285) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0028736 k( 286) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0028736 k( 287) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0028736 k( 288) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0028736 k( 289) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0028736 k( 290) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0028736 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 292) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 293) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0028736 k( 294) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0028736 k( 295) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028736 k( 296) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0028736 k( 297) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0028736 k( 298) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028736 k( 299) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0028736 k( 300) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0028736 k( 301) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028736 k( 302) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0028736 k( 303) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0028736 k( 304) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028736 k( 305) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0028736 k( 306) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0028736 k( 307) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028736 k( 308) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0028736 k( 309) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0028736 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0028736 k( 317) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028736 k( 318) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0028736 k( 319) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0028736 k( 320) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028736 k( 321) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0028736 k( 322) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0028736 k( 323) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028736 k( 324) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0028736 k( 325) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0028736 k( 326) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0028736 k( 327) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0028736 k( 328) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0028736 k( 329) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 331) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0028736 k( 332) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 139517 G-vectors FFT dimensions: ( 54, 54, 100) Smooth grid: 60813 G-vectors FFT dimensions: ( 40, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 466, 68) NL pseudopotentials 0.51 Mb ( 233, 144) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.03 Mb ( 3877) G-vector shells 0.01 Mb ( 1950) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.93 Mb ( 466, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.30 Mb ( 144, 2, 68) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./H4CO.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.2 secs Computing kpt #: 7 total cpu time spent up to now is 10.5 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 13.0 secs Computing kpt #: 10 total cpu time spent up to now is 14.3 secs Computing kpt #: 11 total cpu time spent up to now is 15.5 secs Computing kpt #: 12 total cpu time spent up to now is 16.8 secs Computing kpt #: 13 total cpu time spent up to now is 18.0 secs Computing kpt #: 14 total cpu time spent up to now is 19.2 secs Computing kpt #: 15 total cpu time spent up to now is 20.4 secs Computing kpt #: 16 total cpu time spent up to now is 21.6 secs Computing kpt #: 17 total cpu time spent up to now is 22.7 secs Computing kpt #: 18 total cpu time spent up to now is 23.9 secs Computing kpt #: 19 total cpu time spent up to now is 25.1 secs Computing kpt #: 20 total cpu time spent up to now is 26.3 secs Computing kpt #: 21 total cpu time spent up to now is 27.5 secs Computing kpt #: 22 total cpu time spent up to now is 28.7 secs Computing kpt #: 23 total cpu time spent up to now is 30.0 secs Computing kpt #: 24 total cpu time spent up to now is 31.1 secs Computing kpt #: 25 total cpu time spent up to now is 32.3 secs Computing kpt #: 26 total cpu time spent up to now is 33.5 secs Computing kpt #: 27 total cpu time spent up to now is 34.7 secs Computing kpt #: 28 total cpu time spent up to now is 35.9 secs Computing kpt #: 29 total cpu time spent up to now is 37.1 secs Computing kpt #: 30 total cpu time spent up to now is 38.3 secs Computing kpt #: 31 total cpu time spent up to now is 39.5 secs Computing kpt #: 32 total cpu time spent up to now is 40.7 secs Computing kpt #: 33 total cpu time spent up to now is 41.9 secs Computing kpt #: 34 total cpu time spent up to now is 43.1 secs Computing kpt #: 35 total cpu time spent up to now is 44.3 secs Computing kpt #: 36 total cpu time spent up to now is 45.5 secs Computing kpt #: 37 total cpu time spent up to now is 46.7 secs Computing kpt #: 38 total cpu time spent up to now is 47.8 secs Computing kpt #: 39 total cpu time spent up to now is 48.8 secs Computing kpt #: 40 total cpu time spent up to now is 49.9 secs Computing kpt #: 41 total cpu time spent up to now is 51.0 secs Computing kpt #: 42 total cpu time spent up to now is 52.0 secs Computing kpt #: 43 total cpu time spent up to now is 53.2 secs Computing kpt #: 44 total cpu time spent up to now is 54.2 secs Computing kpt #: 45 total cpu time spent up to now is 55.3 secs Computing kpt #: 46 total cpu time spent up to now is 56.4 secs Computing kpt #: 47 total cpu time spent up to now is 57.4 secs Computing kpt #: 48 total cpu time spent up to now is 58.5 secs Computing kpt #: 49 total cpu time spent up to now is 59.6 secs Computing kpt #: 50 total cpu time spent up to now is 60.6 secs Computing kpt #: 51 total cpu time spent up to now is 61.7 secs Computing kpt #: 52 total cpu time spent up to now is 62.7 secs Computing kpt #: 53 total cpu time spent up to now is 63.8 secs Computing kpt #: 54 total cpu time spent up to now is 65.1 secs Computing kpt #: 55 total cpu time spent up to now is 66.1 secs Computing kpt #: 56 total cpu time spent up to now is 67.1 secs Computing kpt #: 57 total cpu time spent up to now is 68.1 secs Computing kpt #: 58 total cpu time spent up to now is 69.1 secs Computing kpt #: 59 total cpu time spent up to now is 70.1 secs Computing kpt #: 60 total cpu time spent up to now is 71.2 secs Computing kpt #: 61 total cpu time spent up to now is 72.2 secs Computing kpt #: 62 total cpu time spent up to now is 73.2 secs Computing kpt #: 63 total cpu time spent up to now is 74.1 secs Computing kpt #: 64 total cpu time spent up to now is 75.1 secs Computing kpt #: 65 total cpu time spent up to now is 76.1 secs Computing kpt #: 66 total cpu time spent up to now is 77.1 secs Computing kpt #: 67 total cpu time spent up to now is 78.1 secs Computing kpt #: 68 total cpu time spent up to now is 79.1 secs Computing kpt #: 69 total cpu time spent up to now is 80.0 secs Computing kpt #: 70 total cpu time spent up to now is 81.0 secs Computing kpt #: 71 total cpu time spent up to now is 82.1 secs Computing kpt #: 72 total cpu time spent up to now is 83.1 secs Computing kpt #: 73 total cpu time spent up to now is 84.1 secs Computing kpt #: 74 total cpu time spent up to now is 85.1 secs Computing kpt #: 75 total cpu time spent up to now is 86.1 secs Computing kpt #: 76 total cpu time spent up to now is 87.1 secs Computing kpt #: 77 total cpu time spent up to now is 88.1 secs Computing kpt #: 78 total cpu time spent up to now is 89.1 secs Computing kpt #: 79 total cpu time spent up to now is 90.1 secs Computing kpt #: 80 total cpu time spent up to now is 91.1 secs Computing kpt #: 81 total cpu time spent up to now is 92.1 secs Computing kpt #: 82 total cpu time spent up to now is 93.1 secs Computing kpt #: 83 total cpu time spent up to now is 94.1 secs Computing kpt #: 84 total cpu time spent up to now is 96.1 secs Computing kpt #: 85 total cpu time spent up to now is 97.1 secs Computing kpt #: 86 total cpu time spent up to now is 98.0 secs Computing kpt #: 87 total cpu time spent up to now is 99.1 secs Computing kpt #: 88 total cpu time spent up to now is 100.1 secs Computing kpt #: 89 total cpu time spent up to now is 101.1 secs Computing kpt #: 90 total cpu time spent up to now is 102.1 secs Computing kpt #: 91 total cpu time spent up to now is 103.1 secs Computing kpt #: 92 total cpu time spent up to now is 104.0 secs Computing kpt #: 93 total cpu time spent up to now is 105.0 secs Computing kpt #: 94 total cpu time spent up to now is 105.9 secs Computing kpt #: 95 total cpu time spent up to now is 106.9 secs Computing kpt #: 96 total cpu time spent up to now is 107.8 secs Computing kpt #: 97 total cpu time spent up to now is 108.8 secs Computing kpt #: 98 total cpu time spent up to now is 109.8 secs Computing kpt #: 99 total cpu time spent up to now is 110.7 secs Computing kpt #: 100 total cpu time spent up to now is 111.7 secs Computing kpt #: 101 total cpu time spent up to now is 112.6 secs Computing kpt #: 102 total cpu time spent up to now is 113.5 secs Computing kpt #: 103 total cpu time spent up to now is 114.5 secs Computing kpt #: 104 total cpu time spent up to now is 115.5 secs Computing kpt #: 105 total cpu time spent up to now is 116.4 secs Computing kpt #: 106 total cpu time spent up to now is 117.5 secs Computing kpt #: 107 total cpu time spent up to now is 118.4 secs Computing kpt #: 108 total cpu time spent up to now is 119.4 secs Computing kpt #: 109 total cpu time spent up to now is 120.5 secs Computing kpt #: 110 total cpu time spent up to now is 121.5 secs Computing kpt #: 111 total cpu time spent up to now is 122.5 secs Computing kpt #: 112 total cpu time spent up to now is 123.5 secs Computing kpt #: 113 total cpu time spent up to now is 124.6 secs Computing kpt #: 114 total cpu time spent up to now is 125.6 secs Computing kpt #: 115 total cpu time spent up to now is 126.6 secs Computing kpt #: 116 total cpu time spent up to now is 127.7 secs Computing kpt #: 117 total cpu time spent up to now is 128.7 secs Computing kpt #: 118 total cpu time spent up to now is 130.1 secs Computing kpt #: 119 total cpu time spent up to now is 131.3 secs Computing kpt #: 120 total cpu time spent up to now is 132.4 secs Computing kpt #: 121 total cpu time spent up to now is 133.7 secs Computing kpt #: 122 total cpu time spent up to now is 134.9 secs Computing kpt #: 123 total cpu time spent up to now is 136.2 secs Computing kpt #: 124 total cpu time spent up to now is 137.4 secs Computing kpt #: 125 total cpu time spent up to now is 138.7 secs Computing kpt #: 126 total cpu time spent up to now is 140.0 secs Computing kpt #: 127 total cpu time spent up to now is 141.3 secs Computing kpt #: 128 total cpu time spent up to now is 142.6 secs Computing kpt #: 129 total cpu time spent up to now is 143.8 secs Computing kpt #: 130 total cpu time spent up to now is 145.1 secs Computing kpt #: 131 total cpu time spent up to now is 146.3 secs Computing kpt #: 132 total cpu time spent up to now is 147.6 secs Computing kpt #: 133 total cpu time spent up to now is 148.9 secs Computing kpt #: 134 total cpu time spent up to now is 150.2 secs Computing kpt #: 135 total cpu time spent up to now is 151.5 secs Computing kpt #: 136 total cpu time spent up to now is 152.8 secs Computing kpt #: 137 total cpu time spent up to now is 154.1 secs Computing kpt #: 138 total cpu time spent up to now is 155.3 secs Computing kpt #: 139 total cpu time spent up to now is 156.4 secs Computing kpt #: 140 total cpu time spent up to now is 157.6 secs Computing kpt #: 141 total cpu time spent up to now is 158.6 secs Computing kpt #: 142 total cpu time spent up to now is 159.6 secs Computing kpt #: 143 total cpu time spent up to now is 160.7 secs Computing kpt #: 144 total cpu time spent up to now is 161.7 secs Computing kpt #: 145 total cpu time spent up to now is 162.8 secs Computing kpt #: 146 total cpu time spent up to now is 163.8 secs Computing kpt #: 147 total cpu time spent up to now is 164.9 secs Computing kpt #: 148 total cpu time spent up to now is 166.0 secs Computing kpt #: 149 total cpu time spent up to now is 167.0 secs Computing kpt #: 150 total cpu time spent up to now is 168.1 secs Computing kpt #: 151 total cpu time spent up to now is 169.2 secs Computing kpt #: 152 total cpu time spent up to now is 170.2 secs Computing kpt #: 153 total cpu time spent up to now is 171.3 secs Computing kpt #: 154 total cpu time spent up to now is 172.3 secs Computing kpt #: 155 total cpu time spent up to now is 173.4 secs Computing kpt #: 156 total cpu time spent up to now is 174.5 secs Computing kpt #: 157 total cpu time spent up to now is 175.6 secs Computing kpt #: 158 total cpu time spent up to now is 176.6 secs Computing kpt #: 159 total cpu time spent up to now is 177.7 secs Computing kpt #: 160 total cpu time spent up to now is 178.8 secs Computing kpt #: 161 total cpu time spent up to now is 179.8 secs Computing kpt #: 162 total cpu time spent up to now is 180.9 secs Computing kpt #: 163 total cpu time spent up to now is 181.9 secs Computing kpt #: 164 total cpu time spent up to now is 183.0 secs Computing kpt #: 165 total cpu time spent up to now is 184.0 secs Computing kpt #: 166 total cpu time spent up to now is 185.0 secs Computing kpt #: 167 total cpu time spent up to now is 186.0 secs Computing kpt #: 168 total cpu time spent up to now is 187.1 secs Computing kpt #: 169 total cpu time spent up to now is 188.1 secs Computing kpt #: 170 total cpu time spent up to now is 189.2 secs Computing kpt #: 171 total cpu time spent up to now is 190.2 secs Computing kpt #: 172 total cpu time spent up to now is 191.3 secs Computing kpt #: 173 total cpu time spent up to now is 192.3 secs Computing kpt #: 174 total cpu time spent up to now is 193.4 secs Computing kpt #: 175 total cpu time spent up to now is 194.4 secs Computing kpt #: 176 total cpu time spent up to now is 195.4 secs Computing kpt #: 177 total cpu time spent up to now is 196.4 secs Computing kpt #: 178 total cpu time spent up to now is 197.4 secs Computing kpt #: 179 total cpu time spent up to now is 198.4 secs Computing kpt #: 180 total cpu time spent up to now is 199.4 secs Computing kpt #: 181 total cpu time spent up to now is 200.4 secs Computing kpt #: 182 total cpu time spent up to now is 201.4 secs Computing kpt #: 183 total cpu time spent up to now is 202.4 secs Computing kpt #: 184 total cpu time spent up to now is 203.5 secs Computing kpt #: 185 total cpu time spent up to now is 204.5 secs Computing kpt #: 186 total cpu time spent up to now is 205.6 secs Computing kpt #: 187 total cpu time spent up to now is 206.6 secs Computing kpt #: 188 total cpu time spent up to now is 207.6 secs Computing kpt #: 189 total cpu time spent up to now is 208.7 secs Computing kpt #: 190 total cpu time spent up to now is 209.9 secs Computing kpt #: 191 total cpu time spent up to now is 211.0 secs Computing kpt #: 192 total cpu time spent up to now is 212.1 secs Computing kpt #: 193 total cpu time spent up to now is 213.3 secs Computing kpt #: 194 total cpu time spent up to now is 214.5 secs Computing kpt #: 195 total cpu time spent up to now is 215.6 secs Computing kpt #: 196 total cpu time spent up to now is 216.8 secs Computing kpt #: 197 total cpu time spent up to now is 218.0 secs Computing kpt #: 198 total cpu time spent up to now is 219.1 secs Computing kpt #: 199 total cpu time spent up to now is 220.2 secs Computing kpt #: 200 total cpu time spent up to now is 221.4 secs Computing kpt #: 201 total cpu time spent up to now is 222.6 secs Computing kpt #: 202 total cpu time spent up to now is 224.0 secs Computing kpt #: 203 total cpu time spent up to now is 225.6 secs Computing kpt #: 204 total cpu time spent up to now is 226.9 secs Computing kpt #: 205 total cpu time spent up to now is 228.1 secs Computing kpt #: 206 total cpu time spent up to now is 229.4 secs Computing kpt #: 207 total cpu time spent up to now is 230.7 secs Computing kpt #: 208 total cpu time spent up to now is 231.9 secs Computing kpt #: 209 total cpu time spent up to now is 233.2 secs Computing kpt #: 210 total cpu time spent up to now is 234.5 secs Computing kpt #: 211 total cpu time spent up to now is 235.7 secs Computing kpt #: 212 total cpu time spent up to now is 236.8 secs Computing kpt #: 213 total cpu time spent up to now is 237.9 secs Computing kpt #: 214 total cpu time spent up to now is 239.1 secs Computing kpt #: 215 total cpu time spent up to now is 240.3 secs Computing kpt #: 216 total cpu time spent up to now is 241.5 secs Computing kpt #: 217 total cpu time spent up to now is 242.7 secs Computing kpt #: 218 total cpu time spent up to now is 243.9 secs Computing kpt #: 219 total cpu time spent up to now is 245.1 secs Computing kpt #: 220 total cpu time spent up to now is 246.2 secs Computing kpt #: 221 total cpu time spent up to now is 247.3 secs Computing kpt #: 222 total cpu time spent up to now is 248.6 secs Computing kpt #: 223 total cpu time spent up to now is 249.8 secs Computing kpt #: 224 total cpu time spent up to now is 251.0 secs Computing kpt #: 225 total cpu time spent up to now is 252.1 secs Computing kpt #: 226 total cpu time spent up to now is 253.3 secs Computing kpt #: 227 total cpu time spent up to now is 254.3 secs Computing kpt #: 228 total cpu time spent up to now is 255.4 secs Computing kpt #: 229 total cpu time spent up to now is 256.4 secs Computing kpt #: 230 total cpu time spent up to now is 257.4 secs Computing kpt #: 231 total cpu time spent up to now is 258.5 secs Computing kpt #: 232 total cpu time spent up to now is 259.5 secs Computing kpt #: 233 total cpu time spent up to now is 260.5 secs Computing kpt #: 234 total cpu time spent up to now is 261.6 secs Computing kpt #: 235 total cpu time spent up to now is 262.7 secs Computing kpt #: 236 total cpu time spent up to now is 263.7 secs Computing kpt #: 237 total cpu time spent up to now is 264.7 secs Computing kpt #: 238 total cpu time spent up to now is 266.0 secs Computing kpt #: 239 total cpu time spent up to now is 267.0 secs Computing kpt #: 240 total cpu time spent up to now is 268.1 secs Computing kpt #: 241 total cpu time spent up to now is 269.2 secs Computing kpt #: 242 total cpu time spent up to now is 270.4 secs Computing kpt #: 243 total cpu time spent up to now is 271.6 secs Computing kpt #: 244 total cpu time spent up to now is 272.8 secs Computing kpt #: 245 total cpu time spent up to now is 274.0 secs Computing kpt #: 246 total cpu time spent up to now is 275.9 secs Computing kpt #: 247 total cpu time spent up to now is 277.4 secs Computing kpt #: 248 total cpu time spent up to now is 278.8 secs Computing kpt #: 249 total cpu time spent up to now is 280.2 secs Computing kpt #: 250 total cpu time spent up to now is 281.5 secs Computing kpt #: 251 total cpu time spent up to now is 282.9 secs Computing kpt #: 252 total cpu time spent up to now is 284.2 secs Computing kpt #: 253 total cpu time spent up to now is 285.4 secs Computing kpt #: 254 total cpu time spent up to now is 286.6 secs Computing kpt #: 255 total cpu time spent up to now is 287.9 secs Computing kpt #: 256 total cpu time spent up to now is 289.1 secs Computing kpt #: 257 total cpu time spent up to now is 290.4 secs Computing kpt #: 258 total cpu time spent up to now is 291.6 secs Computing kpt #: 259 total cpu time spent up to now is 292.8 secs Computing kpt #: 260 total cpu time spent up to now is 294.0 secs Computing kpt #: 261 total cpu time spent up to now is 295.2 secs Computing kpt #: 262 total cpu time spent up to now is 296.4 secs Computing kpt #: 263 total cpu time spent up to now is 297.6 secs Computing kpt #: 264 total cpu time spent up to now is 298.7 secs Computing kpt #: 265 total cpu time spent up to now is 299.9 secs Computing kpt #: 266 total cpu time spent up to now is 301.1 secs Computing kpt #: 267 total cpu time spent up to now is 302.3 secs Computing kpt #: 268 total cpu time spent up to now is 303.5 secs Computing kpt #: 269 total cpu time spent up to now is 304.6 secs Computing kpt #: 270 total cpu time spent up to now is 305.7 secs Computing kpt #: 271 total cpu time spent up to now is 306.7 secs Computing kpt #: 272 total cpu time spent up to now is 307.8 secs Computing kpt #: 273 total cpu time spent up to now is 308.9 secs Computing kpt #: 274 total cpu time spent up to now is 309.9 secs Computing kpt #: 275 total cpu time spent up to now is 311.0 secs Computing kpt #: 276 total cpu time spent up to now is 312.0 secs Computing kpt #: 277 total cpu time spent up to now is 313.1 secs Computing kpt #: 278 total cpu time spent up to now is 314.1 secs Computing kpt #: 279 total cpu time spent up to now is 315.2 secs Computing kpt #: 280 total cpu time spent up to now is 316.2 secs Computing kpt #: 281 total cpu time spent up to now is 317.3 secs Computing kpt #: 282 total cpu time spent up to now is 318.3 secs Computing kpt #: 283 total cpu time spent up to now is 319.3 secs Computing kpt #: 284 total cpu time spent up to now is 320.3 secs Computing kpt #: 285 total cpu time spent up to now is 321.4 secs Computing kpt #: 286 total cpu time spent up to now is 322.5 secs Computing kpt #: 287 total cpu time spent up to now is 323.5 secs Computing kpt #: 288 total cpu time spent up to now is 324.6 secs Computing kpt #: 289 total cpu time spent up to now is 325.7 secs Computing kpt #: 290 total cpu time spent up to now is 326.7 secs Computing kpt #: 291 total cpu time spent up to now is 327.8 secs Computing kpt #: 292 total cpu time spent up to now is 328.8 secs Computing kpt #: 293 total cpu time spent up to now is 329.7 secs Computing kpt #: 294 total cpu time spent up to now is 330.7 secs Computing kpt #: 295 total cpu time spent up to now is 331.7 secs Computing kpt #: 296 total cpu time spent up to now is 332.7 secs Computing kpt #: 297 total cpu time spent up to now is 333.7 secs Computing kpt #: 298 total cpu time spent up to now is 334.7 secs Computing kpt #: 299 total cpu time spent up to now is 335.7 secs Computing kpt #: 300 total cpu time spent up to now is 336.7 secs Computing kpt #: 301 total cpu time spent up to now is 337.7 secs Computing kpt #: 302 total cpu time spent up to now is 338.8 secs Computing kpt #: 303 total cpu time spent up to now is 340.2 secs Computing kpt #: 304 total cpu time spent up to now is 341.3 secs Computing kpt #: 305 total cpu time spent up to now is 342.4 secs Computing kpt #: 306 total cpu time spent up to now is 343.6 secs Computing kpt #: 307 total cpu time spent up to now is 344.8 secs Computing kpt #: 308 total cpu time spent up to now is 346.0 secs Computing kpt #: 309 total cpu time spent up to now is 347.1 secs Computing kpt #: 310 total cpu time spent up to now is 348.4 secs Computing kpt #: 311 total cpu time spent up to now is 349.5 secs Computing kpt #: 312 total cpu time spent up to now is 350.7 secs Computing kpt #: 313 total cpu time spent up to now is 351.8 secs Computing kpt #: 314 total cpu time spent up to now is 353.0 secs Computing kpt #: 315 total cpu time spent up to now is 354.2 secs Computing kpt #: 316 total cpu time spent up to now is 355.4 secs Computing kpt #: 317 total cpu time spent up to now is 356.6 secs Computing kpt #: 318 total cpu time spent up to now is 357.8 secs Computing kpt #: 319 total cpu time spent up to now is 359.0 secs Computing kpt #: 320 total cpu time spent up to now is 360.2 secs Computing kpt #: 321 total cpu time spent up to now is 361.3 secs Computing kpt #: 322 total cpu time spent up to now is 362.3 secs Computing kpt #: 323 total cpu time spent up to now is 363.4 secs Computing kpt #: 324 total cpu time spent up to now is 364.6 secs Computing kpt #: 325 total cpu time spent up to now is 365.8 secs Computing kpt #: 326 total cpu time spent up to now is 367.0 secs Computing kpt #: 327 total cpu time spent up to now is 368.2 secs Computing kpt #: 328 total cpu time spent up to now is 369.4 secs Computing kpt #: 329 total cpu time spent up to now is 370.6 secs Computing kpt #: 330 total cpu time spent up to now is 371.6 secs Computing kpt #: 331 total cpu time spent up to now is 372.6 secs Computing kpt #: 332 total cpu time spent up to now is 373.6 secs Computing kpt #: 333 total cpu time spent up to now is 374.5 secs Computing kpt #: 334 total cpu time spent up to now is 375.5 secs Computing kpt #: 335 total cpu time spent up to now is 376.5 secs Computing kpt #: 336 total cpu time spent up to now is 377.5 secs Computing kpt #: 337 total cpu time spent up to now is 378.5 secs Computing kpt #: 338 total cpu time spent up to now is 379.5 secs Computing kpt #: 339 total cpu time spent up to now is 380.4 secs Computing kpt #: 340 total cpu time spent up to now is 381.4 secs Computing kpt #: 341 total cpu time spent up to now is 382.5 secs Computing kpt #: 342 total cpu time spent up to now is 383.5 secs Computing kpt #: 343 total cpu time spent up to now is 384.5 secs Computing kpt #: 344 total cpu time spent up to now is 385.5 secs Computing kpt #: 345 total cpu time spent up to now is 386.5 secs Computing kpt #: 346 total cpu time spent up to now is 387.7 secs Computing kpt #: 347 total cpu time spent up to now is 388.9 secs Computing kpt #: 348 total cpu time spent up to now is 390.2 secs ethr = 1.79E-08, avg # of iterations = 21.5 total cpu time spent up to now is 390.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7611 PWs) bands (ev): -21.7890 -21.7890 -21.7624 -21.7624 -21.1874 -21.1874 -21.1693 -21.1693 -13.2110 -13.2110 -13.0763 -13.0763 -13.0475 -13.0475 -12.8508 -12.8508 -8.6904 -8.6904 -8.6108 -8.6108 -8.0677 -8.0677 -8.0194 -8.0194 -6.5777 -6.5777 -6.5690 -6.5690 -6.4142 -6.4142 -6.3882 -6.3882 -6.2822 -6.2822 -6.2178 -6.2178 -5.8904 -5.8904 -5.8770 -5.8770 -4.1448 -4.1448 -4.0803 -4.0803 -3.0650 -3.0650 -2.8966 -2.8966 -2.3337 -2.3337 -1.7988 -1.7988 -1.6651 -1.6651 -1.5079 -1.5079 4.4941 4.4941 4.9213 4.9213 5.8910 5.8910 6.2233 6.2233 6.9285 6.9285 7.9244 7.9244 k = 0.0147-0.0000-0.0000 ( 7615 PWs) bands (ev): -21.7887 -21.7887 -21.7621 -21.7621 -21.1877 -21.1877 -21.1696 -21.1696 -13.2108 -13.2108 -13.0763 -13.0763 -13.0475 -13.0475 -12.8510 -12.8510 -8.6905 -8.6905 -8.6101 -8.6101 -8.0682 -8.0682 -8.0198 -8.0198 -6.5778 -6.5777 -6.5692 -6.5691 -6.4140 -6.4140 -6.3882 -6.3882 -6.2825 -6.2823 -6.2177 -6.2177 -5.8904 -5.8904 -5.8770 -5.8770 -4.1452 -4.1451 -4.0793 -4.0792 -3.0663 -3.0663 -2.8969 -2.8969 -2.3332 -2.3332 -1.7988 -1.7988 -1.6658 -1.6657 -1.5078 -1.5078 4.4957 4.4957 4.9235 4.9235 5.8929 5.8929 6.2250 6.2250 6.9284 6.9284 7.9246 7.9246 k = 0.0294-0.0000-0.0000 ( 7603 PWs) bands (ev): -21.7878 -21.7878 -21.7612 -21.7612 -21.1886 -21.1886 -21.1706 -21.1706 -13.2101 -13.2101 -13.0763 -13.0763 -13.0475 -13.0475 -12.8514 -12.8514 -8.6908 -8.6907 -8.6081 -8.6081 -8.0697 -8.0697 -8.0209 -8.0208 -6.5782 -6.5780 -6.5699 -6.5696 -6.4135 -6.4134 -6.3882 -6.3882 -6.2830 -6.2827 -6.2172 -6.2172 -5.8903 -5.8903 -5.8770 -5.8769 -4.1463 -4.1462 -4.0762 -4.0761 -3.0702 -3.0701 -2.8977 -2.8977 -2.3315 -2.3315 -1.7987 -1.7987 -1.6678 -1.6676 -1.5074 -1.5074 4.5004 4.5004 4.9299 4.9299 5.8983 5.8984 6.2303 6.2303 6.9280 6.9281 7.9250 7.9250 k = 0.0441-0.0000-0.0000 ( 7579 PWs) bands (ev): -21.7862 -21.7862 -21.7597 -21.7597 -21.1902 -21.1902 -21.1724 -21.1724 -13.2089 -13.2089 -13.0762 -13.0762 -13.0475 -13.0475 -12.8522 -12.8522 -8.6911 -8.6911 -8.6048 -8.6048 -8.0722 -8.0722 -8.0226 -8.0226 -6.5788 -6.5786 -6.5709 -6.5705 -6.4128 -6.4126 -6.3882 -6.3881 -6.2839 -6.2834 -6.2165 -6.2165 -5.8902 -5.8901 -5.8769 -5.8768 -4.1479 -4.1477 -4.0713 -4.0712 -3.0764 -3.0763 -2.8992 -2.8991 -2.3287 -2.3287 -1.7985 -1.7985 -1.6709 -1.6706 -1.5067 -1.5067 4.5083 4.5083 4.9407 4.9407 5.9074 5.9075 6.2388 6.2388 6.9275 6.9276 7.9255 7.9256 k = 0.0588-0.0000-0.0000 ( 7585 PWs) bands (ev): -21.7840 -21.7840 -21.7576 -21.7576 -21.1924 -21.1924 -21.1748 -21.1748 -13.2073 -13.2073 -13.0762 -13.0762 -13.0474 -13.0474 -12.8532 -12.8532 -8.6916 -8.6915 -8.6005 -8.6004 -8.0757 -8.0757 -8.0251 -8.0251 -6.5796 -6.5793 -6.5723 -6.5718 -6.4117 -6.4115 -6.3881 -6.3880 -6.2852 -6.2844 -6.2155 -6.2155 -5.8901 -5.8900 -5.8768 -5.8767 -4.1496 -4.1494 -4.0649 -4.0647 -3.0851 -3.0849 -2.9014 -2.9012 -2.3248 -2.3248 -1.7983 -1.7983 -1.6753 -1.6749 -1.5059 -1.5059 4.5193 4.5193 4.9557 4.9558 5.9200 5.9202 6.2506 6.2506 6.9269 6.9270 7.9260 7.9261 k = 0.0735-0.0000-0.0000 ( 7605 PWs) bands (ev): -21.7812 -21.7812 -21.7550 -21.7550 -21.1952 -21.1952 -21.1779 -21.1779 -13.2053 -13.2053 -13.0762 -13.0762 -13.0474 -13.0474 -12.8546 -12.8546 -8.6919 -8.6918 -8.5951 -8.5950 -8.0802 -8.0802 -8.0283 -8.0283 -6.5806 -6.5802 -6.5740 -6.5734 -6.4105 -6.4101 -6.3880 -6.3878 -6.2867 -6.2858 -6.2144 -6.2143 -5.8899 -5.8898 -5.8767 -5.8766 -4.1513 -4.1510 -4.0572 -4.0570 -3.0959 -3.0957 -2.9044 -2.9042 -2.3198 -2.3198 -1.7981 -1.7980 -1.6807 -1.6802 -1.5051 -1.5051 4.5334 4.5334 4.9750 4.9750 5.9361 5.9364 6.2653 6.2653 6.9264 6.9266 7.9263 7.9264 k = 0.0882-0.0000-0.0000 ( 7601 PWs) bands (ev): -21.7778 -21.7778 -21.7517 -21.7517 -21.1987 -21.1987 -21.1817 -21.1817 -13.2029 -13.2029 -13.0761 -13.0761 -13.0474 -13.0474 -12.8563 -12.8563 -8.6920 -8.6919 -8.5888 -8.5887 -8.0857 -8.0856 -8.0322 -8.0321 -6.5818 -6.5813 -6.5760 -6.5753 -6.4091 -6.4087 -6.3876 -6.3874 -6.2885 -6.2874 -6.2131 -6.2130 -5.8897 -5.8895 -5.8766 -5.8765 -4.1526 -4.1524 -4.0483 -4.0481 -3.1088 -3.1085 -2.9083 -2.9081 -2.3138 -2.3138 -1.7977 -1.7976 -1.6871 -1.6865 -1.5043 -1.5043 4.5506 4.5506 4.9983 4.9983 5.9557 5.9560 6.2826 6.2826 6.9262 6.9264 7.9261 7.9262 k = 0.1029-0.0000-0.0000 ( 7599 PWs) bands (ev): -21.7737 -21.7737 -21.7479 -21.7479 -21.2027 -21.2027 -21.1862 -21.1862 -13.2000 -13.2000 -13.0760 -13.0760 -13.0474 -13.0474 -12.8583 -12.8583 -8.6918 -8.6917 -8.5817 -8.5816 -8.0921 -8.0921 -8.0367 -8.0366 -6.5831 -6.5825 -6.5783 -6.5775 -6.4077 -6.4072 -6.3871 -6.3867 -6.2906 -6.2893 -6.2117 -6.2116 -5.8894 -5.8892 -5.8765 -5.8763 -4.1534 -4.1532 -4.0384 -4.0382 -3.1235 -3.1232 -2.9132 -2.9130 -2.3068 -2.3068 -1.7972 -1.7971 -1.6943 -1.6936 -1.5035 -1.5035 4.5709 4.5709 5.0256 5.0257 5.9784 5.9788 6.3020 6.3021 6.9266 6.9269 7.9249 7.9251 k = 0.1176-0.0000-0.0000 ( 7607 PWs) bands (ev): -21.7691 -21.7691 -21.7436 -21.7436 -21.2074 -21.2074 -21.1913 -21.1913 -13.1967 -13.1967 -13.0760 -13.0760 -13.0474 -13.0474 -12.8606 -12.8606 -8.6912 -8.6911 -8.5740 -8.5738 -8.0994 -8.0994 -8.0418 -8.0417 -6.5846 -6.5838 -6.5807 -6.5799 -6.4064 -6.4058 -6.3861 -6.3858 -6.2929 -6.2915 -6.2102 -6.2101 -5.8891 -5.8888 -5.8764 -5.8762 -4.1537 -4.1535 -4.0276 -4.0274 -3.1400 -3.1396 -2.9193 -2.9191 -2.2988 -2.2988 -1.7967 -1.7965 -1.7023 -1.7015 -1.5030 -1.5030 4.5941 4.5942 5.0569 5.0569 6.0043 6.0047 6.3231 6.3232 6.9281 6.9284 7.9226 7.9228 k = 0.1324-0.0000-0.0000 ( 7617 PWs) bands (ev): -21.7639 -21.7639 -21.7387 -21.7387 -21.2127 -21.2127 -21.1970 -21.1970 -13.1930 -13.1930 -13.0759 -13.0759 -13.0474 -13.0474 -12.8632 -12.8631 -8.6902 -8.6901 -8.5656 -8.5655 -8.1077 -8.1077 -8.0475 -8.0474 -6.5863 -6.5851 -6.5832 -6.5825 -6.4053 -6.4047 -6.3847 -6.3843 -6.2955 -6.2940 -6.2088 -6.2087 -5.8887 -5.8884 -5.8763 -5.8760 -4.1533 -4.1531 -4.0159 -4.0157 -3.1581 -3.1576 -2.9267 -2.9264 -2.2899 -2.2899 -1.7960 -1.7958 -1.7109 -1.7101 -1.5028 -1.5027 4.6204 4.6204 5.0920 5.0920 6.0331 6.0336 6.3451 6.3452 6.9310 6.9313 7.9186 7.9189 k = 0.1471-0.0000-0.0000 ( 7615 PWs) bands (ev): -21.7581 -21.7581 -21.7332 -21.7332 -21.2185 -21.2185 -21.2034 -21.2034 -13.1888 -13.1888 -13.0757 -13.0757 -13.0474 -13.0474 -12.8660 -12.8660 -8.6887 -8.6886 -8.5567 -8.5565 -8.1168 -8.1168 -8.0537 -8.0536 -6.5882 -6.5865 -6.5855 -6.5852 -6.4046 -6.4038 -6.3828 -6.3823 -6.2983 -6.2967 -6.2074 -6.2073 -5.8882 -5.8879 -5.8761 -5.8758 -4.1521 -4.1519 -4.0033 -4.0032 -3.1776 -3.1771 -2.9352 -2.9349 -2.2802 -2.2801 -1.7952 -1.7950 -1.7200 -1.7191 -1.5029 -1.5028 4.6495 4.6495 5.1307 5.1307 6.0647 6.0652 6.3672 6.3673 6.9360 6.9364 7.9127 7.9130 k = 0.1618-0.0000-0.0000 ( 7609 PWs) bands (ev): -21.7517 -21.7517 -21.7272 -21.7272 -21.2249 -21.2249 -21.2104 -21.2104 -13.1843 -13.1843 -13.0755 -13.0755 -13.0474 -13.0474 -12.8692 -12.8692 -8.6866 -8.6866 -8.5473 -8.5472 -8.1267 -8.1267 -8.0605 -8.0603 -6.5906 -6.5881 -6.5879 -6.5875 -6.4042 -6.4034 -6.3802 -6.3797 -6.3013 -6.2996 -6.2061 -6.2060 -5.8878 -5.8874 -5.8760 -5.8757 -4.1501 -4.1499 -3.9899 -3.9898 -3.1984 -3.1979 -2.9451 -2.9448 -2.2696 -2.2695 -1.7942 -1.7940 -1.7296 -1.7286 -1.5033 -1.5033 4.6815 4.6815 5.1729 5.1730 6.0988 6.0994 6.3885 6.3886 6.9437 6.9441 7.9045 7.9048 k = 0.1765-0.0000-0.0000 ( 7609 PWs) bands (ev): -21.7448 -21.7448 -21.7207 -21.7207 -21.2318 -21.2318 -21.2180 -21.2180 -13.1794 -13.1794 -13.0753 -13.0753 -13.0474 -13.0474 -12.8726 -12.8726 -8.6841 -8.6840 -8.5375 -8.5374 -8.1375 -8.1375 -8.0678 -8.0676 -6.5933 -6.5910 -6.5892 -6.5892 -6.4041 -6.4033 -6.3771 -6.3767 -6.3046 -6.3027 -6.2049 -6.2049 -5.8872 -5.8868 -5.8759 -5.8755 -4.1471 -4.1470 -3.9757 -3.9756 -3.2204 -3.2199 -2.9563 -2.9560 -2.2582 -2.2581 -1.7930 -1.7928 -1.7395 -1.7385 -1.5043 -1.5042 4.7162 4.7162 5.2185 5.2186 6.1352 6.1358 6.4080 6.4080 6.9548 6.9553 7.8937 7.8941 k = 0.1912-0.0000-0.0000 ( 7601 PWs) bands (ev): -21.7373 -21.7373 -21.7137 -21.7137 -21.2393 -21.2393 -21.2261 -21.2261 -13.1742 -13.1742 -13.0750 -13.0750 -13.0474 -13.0474 -12.8764 -12.8764 -8.6809 -8.6808 -8.5274 -8.5273 -8.1490 -8.1490 -8.0755 -8.0753 -6.5962 -6.5939 -6.5908 -6.5906 -6.4042 -6.4034 -6.3735 -6.3731 -6.3080 -6.3060 -6.2040 -6.2040 -5.8867 -5.8862 -5.8758 -5.8754 -4.1433 -4.1431 -3.9606 -3.9605 -3.2435 -3.2429 -2.9688 -2.9685 -2.2462 -2.2461 -1.7916 -1.7914 -1.7498 -1.7487 -1.5058 -1.5057 4.7536 4.7536 5.2673 5.2674 6.1736 6.1743 6.4245 6.4246 6.9700 6.9705 7.8804 7.8807 k = 0.2059-0.0000-0.0000 ( 7591 PWs) bands (ev): -21.7293 -21.7293 -21.7061 -21.7061 -21.2473 -21.2473 -21.2349 -21.2349 -13.1686 -13.1686 -13.0748 -13.0747 -13.0475 -13.0475 -12.8804 -12.8804 -8.6771 -8.6771 -8.5170 -8.5168 -8.1613 -8.1612 -8.0836 -8.0835 -6.5991 -6.5968 -6.5922 -6.5919 -6.4046 -6.4038 -6.3695 -6.3691 -6.3116 -6.3095 -6.2033 -6.2033 -5.8861 -5.8855 -5.8757 -5.8753 -4.1384 -4.1383 -3.9447 -3.9446 -3.2676 -3.2670 -2.9827 -2.9824 -2.2335 -2.2334 -1.7900 -1.7898 -1.7603 -1.7591 -1.5078 -1.5077 4.7935 4.7936 5.3192 5.3192 6.2138 6.2146 6.4374 6.4375 6.9898 6.9904 7.8644 7.8647 k = 0.2206-0.0000-0.0000 ( 7595 PWs) bands (ev): -21.7208 -21.7208 -21.6981 -21.6981 -21.2557 -21.2557 -21.2441 -21.2441 -13.1628 -13.1628 -13.0744 -13.0744 -13.0476 -13.0476 -12.8847 -12.8847 -8.6727 -8.6727 -8.5063 -8.5061 -8.1742 -8.1742 -8.0921 -8.0920 -6.6019 -6.5997 -6.5936 -6.5932 -6.4051 -6.4043 -6.3652 -6.3648 -6.3153 -6.3132 -6.2029 -6.2029 -5.8854 -5.8849 -5.8756 -5.8752 -4.1325 -4.1324 -3.9279 -3.9279 -3.2926 -3.2919 -2.9979 -2.9976 -2.2203 -2.2201 -1.7882 -1.7880 -1.7709 -1.7696 -1.5105 -1.5104 4.8359 4.8360 5.3739 5.3739 6.2554 6.2562 6.4457 6.4459 7.0145 7.0150 7.8459 7.8461 k = 0.2353-0.0000-0.0000 ( 7597 PWs) bands (ev): -21.7118 -21.7118 -21.6897 -21.6897 -21.2647 -21.2647 -21.2539 -21.2539 -13.1566 -13.1566 -13.0741 -13.0741 -13.0477 -13.0477 -12.8893 -12.8893 -8.6677 -8.6677 -8.4954 -8.4952 -8.1878 -8.1877 -8.1010 -8.1009 -6.6047 -6.6024 -6.5949 -6.5944 -6.4057 -6.4048 -6.3607 -6.3603 -6.3193 -6.3171 -6.2028 -6.2028 -5.8848 -5.8842 -5.8756 -5.8751 -4.1255 -4.1254 -3.9104 -3.9103 -3.3183 -3.3176 -3.0145 -3.0141 -2.2066 -2.2064 -1.7862 -1.7861 -1.7815 -1.7800 -1.5137 -1.5136 4.8807 4.8807 5.4312 5.4312 6.2981 6.2989 6.4493 6.4495 7.0438 7.0444 7.8250 7.8253 k = 0.2500-0.0000-0.0000 ( 7605 PWs) bands (ev): -21.7023 -21.7023 -21.6807 -21.6807 -21.2741 -21.2741 -21.2642 -21.2642 -13.1501 -13.1501 -13.0737 -13.0737 -13.0478 -13.0478 -12.8941 -12.8941 -8.6621 -8.6621 -8.4843 -8.4842 -8.2019 -8.2018 -8.1102 -8.1101 -6.6073 -6.6050 -6.5962 -6.5956 -6.4064 -6.4054 -6.3558 -6.3554 -6.3233 -6.3211 -6.2031 -6.2030 -5.8841 -5.8835 -5.8755 -5.8750 -4.1175 -4.1175 -3.8920 -3.8919 -3.3448 -3.3440 -3.0323 -3.0320 -2.1925 -2.1923 -1.7923 -1.7915 -1.7836 -1.7829 -1.5176 -1.5175 4.9276 4.9276 5.4910 5.4910 6.3415 6.3423 6.4481 6.4483 7.0773 7.0780 7.8022 7.8024 k = 0.2647-0.0000-0.0000 ( 7593 PWs) bands (ev): -21.6923 -21.6923 -21.6714 -21.6714 -21.2840 -21.2840 -21.2749 -21.2749 -13.1434 -13.1434 -13.0732 -13.0732 -13.0479 -13.0479 -12.8992 -12.8992 -8.6558 -8.6558 -8.4731 -8.4729 -8.2166 -8.2165 -8.1197 -8.1195 -6.6098 -6.6075 -6.5974 -6.5967 -6.4070 -6.4060 -6.3507 -6.3504 -6.3275 -6.3252 -6.2037 -6.2035 -5.8834 -5.8828 -5.8755 -5.8750 -4.1083 -4.1083 -3.8727 -3.8726 -3.3718 -3.3710 -3.0514 -3.0510 -2.1781 -2.1779 -1.8031 -1.8020 -1.7807 -1.7803 -1.5221 -1.5220 4.9765 4.9766 5.5530 5.5530 6.3850 6.3858 6.4423 6.4425 7.1145 7.1151 7.7778 7.7778 k = 0.2794-0.0000-0.0000 ( 7589 PWs) bands (ev): -21.6818 -21.6818 -21.6616 -21.6616 -21.2942 -21.2942 -21.2861 -21.2861 -13.1364 -13.1364 -13.0727 -13.0727 -13.0481 -13.0481 -12.9046 -12.9046 -8.6489 -8.6489 -8.4617 -8.4616 -8.2317 -8.2316 -8.1294 -8.1293 -6.6120 -6.6097 -6.5986 -6.5978 -6.4076 -6.4065 -6.3455 -6.3452 -6.3317 -6.3294 -6.2046 -6.2044 -5.8828 -5.8821 -5.8755 -5.8750 -4.0981 -4.0980 -3.8526 -3.8525 -3.3993 -3.3985 -3.0716 -3.0712 -2.1635 -2.1632 -1.8137 -1.8126 -1.7775 -1.7771 -1.5273 -1.5272 5.0274 5.0274 5.6170 5.6170 6.4243 6.4244 6.4360 6.4371 7.1542 7.1549 7.7518 7.7519 k = 0.2941-0.0000-0.0000 ( 7589 PWs) bands (ev): -21.6710 -21.6710 -21.6514 -21.6514 -21.3049 -21.3048 -21.2976 -21.2976 -13.1293 -13.1293 -13.0722 -13.0722 -13.0483 -13.0483 -12.9102 -12.9102 -8.6414 -8.6413 -8.4503 -8.4502 -8.2472 -8.2471 -8.1394 -8.1392 -6.6141 -6.6117 -6.5997 -6.5989 -6.4081 -6.4070 -6.3401 -6.3401 -6.3357 -6.3337 -6.2059 -6.2057 -5.8821 -5.8814 -5.8756 -5.8750 -4.0867 -4.0866 -3.8316 -3.8316 -3.4272 -3.4264 -3.0930 -3.0926 -2.1487 -2.1485 -1.8243 -1.8232 -1.7739 -1.7735 -1.5332 -1.5330 5.0800 5.0800 5.6828 5.6828 6.4157 6.4157 6.4730 6.4742 7.1958 7.1965 7.7248 7.7250 k = 0.3088-0.0000-0.0000 ( 7595 PWs) bands (ev): -21.6597 -21.6597 -21.6408 -21.6408 -21.3159 -21.3159 -21.3096 -21.3096 -13.1220 -13.1220 -13.0716 -13.0716 -13.0485 -13.0485 -12.9161 -12.9161 -8.6332 -8.6332 -8.4388 -8.4387 -8.2631 -8.2630 -8.1495 -8.1494 -6.6159 -6.6135 -6.6009 -6.5999 -6.4085 -6.4073 -6.3408 -6.3382 -6.3344 -6.3338 -6.2076 -6.2074 -5.8815 -5.8808 -5.8756 -5.8750 -4.0742 -4.0741 -3.8099 -3.8099 -3.4555 -3.4547 -3.1155 -3.1151 -2.1339 -2.1336 -1.8348 -1.8336 -1.7698 -1.7694 -1.5397 -1.5395 5.1341 5.1341 5.7501 5.7501 6.3974 6.3974 6.5148 6.5160 7.2381 7.2388 7.6970 7.6974 k = 0.3235-0.0000-0.0000 ( 7601 PWs) bands (ev): -21.6480 -21.6480 -21.6299 -21.6299 -21.3272 -21.3272 -21.3220 -21.3220 -13.1145 -13.1145 -13.0711 -13.0711 -13.0487 -13.0487 -12.9222 -12.9222 -8.6245 -8.6244 -8.4273 -8.4271 -8.2793 -8.2792 -8.1598 -8.1596 -6.6175 -6.6151 -6.6020 -6.6010 -6.4088 -6.4075 -6.3451 -6.3426 -6.3288 -6.3283 -6.2097 -6.2094 -5.8809 -5.8801 -5.8757 -5.8751 -4.0606 -4.0604 -3.7874 -3.7874 -3.4840 -3.4831 -3.1389 -3.1386 -2.1191 -2.1188 -1.8452 -1.8440 -1.7651 -1.7648 -1.5468 -1.5467 5.1896 5.1896 5.8186 5.8186 6.3752 6.3753 6.5552 6.5564 7.2804 7.2811 7.6688 7.6693 k = 0.3382-0.0000-0.0000 ( 7601 PWs) bands (ev): -21.6360 -21.6360 -21.6187 -21.6187 -21.3389 -21.3389 -21.3346 -21.3346 -13.1070 -13.1070 -13.0704 -13.0704 -13.0488 -13.0488 -12.9286 -12.9286 -8.6151 -8.6150 -8.4157 -8.4156 -8.2957 -8.2956 -8.1702 -8.1701 -6.6188 -6.6164 -6.6032 -6.6021 -6.4088 -6.4075 -6.3496 -6.3470 -6.3230 -6.3225 -6.2121 -6.2117 -5.8804 -5.8796 -5.8757 -5.8751 -4.0459 -4.0456 -3.7641 -3.7641 -3.5126 -3.5118 -3.1633 -3.1630 -2.1045 -2.1041 -1.8555 -1.8543 -1.7600 -1.7596 -1.5546 -1.5544 5.2462 5.2463 5.8881 5.8881 6.3497 6.3497 6.5935 6.5947 7.3217 7.3224 7.6403 7.6409 k = 0.3529-0.0000-0.0000 ( 7605 PWs) bands (ev): -21.6237 -21.6237 -21.6071 -21.6071 -21.3509 -21.3509 -21.3476 -21.3476 -13.0994 -13.0994 -13.0698 -13.0697 -13.0489 -13.0489 -12.9351 -12.9351 -8.6051 -8.6050 -8.4042 -8.4040 -8.3122 -8.3121 -8.1808 -8.1807 -6.6199 -6.6175 -6.6044 -6.6032 -6.4087 -6.4073 -6.3540 -6.3515 -6.3171 -6.3167 -6.2148 -6.2145 -5.8799 -5.8790 -5.8758 -5.8752 -4.0300 -4.0297 -3.7401 -3.7400 -3.5414 -3.5405 -3.1886 -3.1883 -2.0900 -2.0896 -1.8656 -1.8644 -1.7543 -1.7539 -1.5629 -1.5627 5.3039 5.3040 5.9583 5.9583 6.3209 6.3209 6.6289 6.6301 7.3613 7.3619 7.6118 7.6126 k = 0.3676-0.0000-0.0000 ( 7599 PWs) bands (ev): -21.6110 -21.6110 -21.5953 -21.5953 -21.3631 -21.3631 -21.3608 -21.3608 -13.0919 -13.0919 -13.0690 -13.0690 -13.0489 -13.0488 -12.9419 -12.9419 -8.5945 -8.5945 -8.3926 -8.3925 -8.3289 -8.3288 -8.1915 -8.1913 -6.6206 -6.6182 -6.6056 -6.6043 -6.4084 -6.4069 -6.3584 -6.3559 -6.3112 -6.3107 -6.2179 -6.2175 -5.8794 -5.8785 -5.8759 -5.8752 -4.0131 -4.0128 -3.7153 -3.7153 -3.5701 -3.5693 -3.2146 -3.2143 -2.0758 -2.0753 -1.8756 -1.8744 -1.7479 -1.7476 -1.5718 -1.5716 5.3623 5.3624 6.0288 6.0289 6.2890 6.2891 6.6605 6.6616 7.3979 7.3983 7.5834 7.5844 k = 0.3824-0.0000-0.0000 ( 7611 PWs) bands (ev): -21.5981 -21.5981 -21.5832 -21.5832 -21.3756 -21.3756 -21.3742 -21.3742 -13.0846 -13.0846 -13.0683 -13.0683 -13.0486 -13.0485 -12.9489 -12.9489 -8.5834 -8.5833 -8.3811 -8.3810 -8.3457 -8.3455 -8.2022 -8.2021 -6.6212 -6.6188 -6.6069 -6.6054 -6.4078 -6.4062 -6.3628 -6.3602 -6.3052 -6.3048 -6.2213 -6.2209 -5.8790 -5.8781 -5.8760 -5.8753 -3.9951 -3.9947 -3.6899 -3.6899 -3.5988 -3.5980 -3.2413 -3.2410 -2.0619 -2.0614 -1.8856 -1.8844 -1.7410 -1.7407 -1.5811 -1.5810 5.4212 5.4213 6.0994 6.0994 6.2542 6.2543 6.6873 6.6885 7.4289 7.4290 7.5553 7.5563 k = 0.3971-0.0000-0.0000 ( 7615 PWs) bands (ev): -21.5849 -21.5849 -21.5709 -21.5709 -21.3884 -21.3884 -21.3877 -21.3877 -13.0778 -13.0778 -13.0676 -13.0676 -13.0477 -13.0477 -12.9560 -12.9560 -8.5717 -8.5716 -8.3696 -8.3695 -8.3624 -8.3622 -8.2131 -8.2129 -6.6214 -6.6191 -6.6081 -6.6066 -6.4069 -6.4052 -6.3670 -6.3645 -6.2993 -6.2988 -6.2251 -6.2247 -5.8786 -5.8777 -5.8761 -5.8754 -3.9761 -3.9757 -3.6639 -3.6638 -3.6274 -3.6265 -3.2686 -3.2683 -2.0484 -2.0478 -1.8954 -1.8942 -1.7335 -1.7332 -1.5910 -1.5908 5.4805 5.4806 6.1695 6.1696 6.2165 6.2166 6.7083 6.7094 7.4455 7.4462 7.5281 7.5293 k = 0.4118-0.0000-0.0000 ( 7627 PWs) bands (ev): -21.5714 -21.5714 -21.5583 -21.5583 -21.4020 -21.4020 -21.4008 -21.4008 -13.0719 -13.0719 -13.0668 -13.0668 -13.0460 -13.0460 -12.9634 -12.9634 -8.5594 -8.5593 -8.3792 -8.3790 -8.3581 -8.3580 -8.2240 -8.2238 -6.6214 -6.6191 -6.6095 -6.6078 -6.4058 -6.4040 -6.3712 -6.3687 -6.2933 -6.2928 -6.2291 -6.2287 -5.8783 -5.8774 -5.8762 -5.8755 -3.9561 -3.9556 -3.6557 -3.6549 -3.6373 -3.6372 -3.2964 -3.2961 -2.0353 -2.0346 -1.9052 -1.9041 -1.7254 -1.7251 -1.6012 -1.6010 5.5399 5.5400 6.1762 6.1763 6.2389 6.2389 6.7220 6.7230 7.4359 7.4373 7.5017 7.5030 k = 0.4265-0.0000-0.0000 ( 7624 PWs) bands (ev): -21.5578 -21.5578 -21.5456 -21.5456 -21.4160 -21.4160 -21.4139 -21.4139 -13.0674 -13.0674 -13.0661 -13.0660 -13.0428 -13.0428 -12.9709 -12.9709 -8.5466 -8.5465 -8.3957 -8.3956 -8.3467 -8.3466 -8.2349 -8.2348 -6.6212 -6.6189 -6.6108 -6.6091 -6.4043 -6.4025 -6.3753 -6.3728 -6.2873 -6.2868 -6.2334 -6.2330 -5.8779 -5.8771 -5.8763 -5.8756 -3.9352 -3.9346 -3.6838 -3.6829 -3.6101 -3.6100 -3.3246 -3.3244 -2.0225 -2.0219 -1.9150 -1.9139 -1.7167 -1.7164 -1.6117 -1.6115 5.5992 5.5992 6.1332 6.1333 6.3069 6.3070 6.7271 6.7280 7.4139 7.4154 7.4763 7.4777 k = 0.4412-0.0000-0.0000 ( 7634 PWs) bands (ev): -21.5439 -21.5439 -21.5327 -21.5327 -21.4302 -21.4302 -21.4270 -21.4270 -13.0653 -13.0653 -13.0646 -13.0646 -13.0380 -13.0380 -12.9785 -12.9785 -8.5333 -8.5332 -8.4122 -8.4121 -8.3353 -8.3352 -8.2459 -8.2458 -6.6208 -6.6185 -6.6121 -6.6103 -6.4026 -6.4007 -6.3792 -6.3768 -6.2814 -6.2809 -6.2380 -6.2375 -5.8777 -5.8768 -5.8765 -5.8757 -3.9133 -3.9127 -3.7115 -3.7107 -3.5825 -3.5824 -3.3531 -3.3529 -2.0103 -2.0096 -1.9248 -1.9237 -1.7075 -1.7072 -1.6225 -1.6223 5.6580 5.6581 6.0878 6.0880 6.3731 6.3732 6.7225 6.7232 7.3938 7.3953 7.4524 7.4539 k = 0.4559-0.0000-0.0000 ( 7620 PWs) bands (ev): -21.5299 -21.5299 -21.5196 -21.5196 -21.4444 -21.4444 -21.4402 -21.4402 -13.0646 -13.0646 -13.0631 -13.0631 -13.0318 -13.0318 -12.9862 -12.9862 -8.5196 -8.5195 -8.4285 -8.4283 -8.3240 -8.3239 -8.2569 -8.2568 -6.6201 -6.6179 -6.6135 -6.6116 -6.4006 -6.3986 -6.3829 -6.3805 -6.2755 -6.2750 -6.2428 -6.2423 -5.8775 -5.8766 -5.8766 -5.8758 -3.8905 -3.8899 -3.7388 -3.7380 -3.5545 -3.5544 -3.3819 -3.3817 -1.9985 -1.9977 -1.9347 -1.9336 -1.6978 -1.6975 -1.6334 -1.6332 5.7163 5.7164 6.0402 6.0403 6.4368 6.4369 6.7074 6.7080 7.3800 7.3815 7.4303 7.4319 k = 0.4706-0.0000-0.0000 ( 7628 PWs) bands (ev): -21.5158 -21.5158 -21.5065 -21.5065 -21.4587 -21.4587 -21.4534 -21.4534 -13.0639 -13.0639 -13.0626 -13.0626 -13.0247 -13.0247 -12.9940 -12.9939 -8.5053 -8.5052 -8.4445 -8.4444 -8.3127 -8.3126 -8.2680 -8.2679 -6.6193 -6.6171 -6.6148 -6.6128 -6.3983 -6.3962 -6.3865 -6.3841 -6.2697 -6.2692 -6.2479 -6.2474 -5.8773 -5.8767 -5.8764 -5.8759 -3.8670 -3.8663 -3.7656 -3.7649 -3.5261 -3.5260 -3.4108 -3.4106 -1.9870 -1.9862 -1.9447 -1.9437 -1.6877 -1.6874 -1.6445 -1.6442 5.7737 5.7738 5.9904 5.9905 6.4971 6.4972 6.6819 6.6824 7.3736 7.3753 7.4107 7.4123 k = 0.4853-0.0000-0.0000 ( 7634 PWs) bands (ev): -21.5016 -21.5016 -21.4933 -21.4933 -21.4730 -21.4730 -21.4667 -21.4667 -13.0633 -13.0633 -13.0626 -13.0626 -13.0173 -13.0173 -13.0018 -13.0018 -8.4907 -8.4906 -8.4602 -8.4601 -8.3015 -8.3013 -8.2791 -8.2790 -6.6183 -6.6162 -6.6160 -6.6140 -6.3957 -6.3936 -6.3898 -6.3875 -6.2640 -6.2635 -6.2531 -6.2526 -5.8771 -5.8768 -5.8763 -5.8760 -3.8427 -3.8420 -3.7919 -3.7912 -3.4975 -3.4974 -3.4398 -3.4396 -1.9760 -1.9751 -1.9549 -1.9539 -1.6772 -1.6769 -1.6555 -1.6553 5.8301 5.8302 5.9386 5.9387 6.5530 6.5532 6.6468 6.6472 7.3745 7.3762 7.3942 7.3958 k = 0.5000-0.0000-0.0000 ( 7632 PWs) bands (ev): -21.4873 -21.4873 -21.4873 -21.4873 -21.4800 -21.4800 -21.4800 -21.4800 -13.0629 -13.0629 -13.0628 -13.0628 -13.0096 -13.0096 -13.0096 -13.0096 -8.4756 -8.4756 -8.4755 -8.4755 -8.2903 -8.2903 -8.2901 -8.2901 -6.6172 -6.6172 -6.6152 -6.6152 -6.3929 -6.3929 -6.3906 -6.3906 -6.2585 -6.2585 -6.2580 -6.2580 -5.8770 -5.8770 -5.8761 -5.8761 -3.8176 -3.8176 -3.8169 -3.8169 -3.4687 -3.4687 -3.4685 -3.4685 -1.9653 -1.9653 -1.9644 -1.9644 -1.6664 -1.6664 -1.6662 -1.6662 5.8851 5.8851 5.8852 5.8852 6.6034 6.6034 6.6037 6.6037 7.3818 7.3818 7.3835 7.3835 k = 0.5000-0.0000-0.0000 ( 7632 PWs) bands (ev): -21.4873 -21.4873 -21.4873 -21.4873 -21.4800 -21.4800 -21.4800 -21.4800 -13.0629 -13.0629 -13.0628 -13.0628 -13.0096 -13.0096 -13.0096 -13.0096 -8.4756 -8.4756 -8.4755 -8.4755 -8.2903 -8.2903 -8.2901 -8.2901 -6.6172 -6.6172 -6.6152 -6.6152 -6.3929 -6.3929 -6.3906 -6.3906 -6.2585 -6.2585 -6.2580 -6.2580 -5.8770 -5.8770 -5.8761 -5.8761 -3.8176 -3.8176 -3.8169 -3.8169 -3.4687 -3.4687 -3.4685 -3.4685 -1.9653 -1.9653 -1.9644 -1.9644 -1.6664 -1.6664 -1.6662 -1.6662 5.8851 5.8851 5.8852 5.8852 6.6034 6.6034 6.6037 6.6037 7.3818 7.3818 7.3835 7.3835 k = 0.5000 0.0147-0.0000 ( 7624 PWs) bands (ev): -21.4873 -21.4873 -21.4873 -21.4873 -21.4800 -21.4800 -21.4800 -21.4800 -13.0630 -13.0630 -13.0630 -13.0630 -13.0097 -13.0097 -13.0097 -13.0097 -8.4754 -8.4754 -8.4753 -8.4753 -8.2901 -8.2901 -8.2900 -8.2900 -6.6172 -6.6172 -6.6151 -6.6151 -6.3932 -6.3932 -6.3910 -6.3910 -6.2585 -6.2585 -6.2579 -6.2579 -5.8772 -5.8772 -5.8764 -5.8764 -3.8170 -3.8170 -3.8163 -3.8163 -3.4687 -3.4687 -3.4686 -3.4686 -1.9648 -1.9648 -1.9638 -1.9638 -1.6662 -1.6662 -1.6659 -1.6659 5.8845 5.8845 5.8846 5.8846 6.6046 6.6046 6.6049 6.6049 7.3760 7.3760 7.3777 7.3777 k = 0.5000 0.0295-0.0000 ( 7622 PWs) bands (ev): -21.4872 -21.4872 -21.4872 -21.4872 -21.4800 -21.4800 -21.4800 -21.4800 -13.0634 -13.0634 -13.0634 -13.0634 -13.0102 -13.0102 -13.0102 -13.0102 -8.4749 -8.4749 -8.4747 -8.4747 -8.2897 -8.2897 -8.2895 -8.2895 -6.6170 -6.6170 -6.6149 -6.6149 -6.3942 -6.3942 -6.3919 -6.3919 -6.2585 -6.2585 -6.2578 -6.2578 -5.8781 -5.8781 -5.8773 -5.8773 -3.8150 -3.8150 -3.8143 -3.8143 -3.4688 -3.4688 -3.4686 -3.4686 -1.9632 -1.9632 -1.9622 -1.9622 -1.6654 -1.6654 -1.6652 -1.6652 5.8826 5.8826 5.8827 5.8827 6.6083 6.6083 6.6086 6.6086 7.3597 7.3597 7.3616 7.3616 k = 0.5000 0.0442-0.0000 ( 7616 PWs) bands (ev): -21.4871 -21.4871 -21.4871 -21.4871 -21.4799 -21.4799 -21.4799 -21.4799 -13.0641 -13.0641 -13.0640 -13.0640 -13.0109 -13.0109 -13.0109 -13.0109 -8.4740 -8.4740 -8.4738 -8.4738 -8.2889 -8.2889 -8.2887 -8.2887 -6.6167 -6.6167 -6.6147 -6.6147 -6.3957 -6.3957 -6.3935 -6.3935 -6.2585 -6.2585 -6.2576 -6.2576 -5.8796 -5.8796 -5.8787 -5.8787 -3.8118 -3.8118 -3.8111 -3.8111 -3.4690 -3.4690 -3.4687 -3.4687 -1.9605 -1.9605 -1.9596 -1.9596 -1.6642 -1.6642 -1.6639 -1.6639 5.8795 5.8795 5.8796 5.8796 6.6142 6.6142 6.6146 6.6146 7.3355 7.3355 7.3376 7.3376 k = 0.5000 0.0589-0.0000 ( 7608 PWs) bands (ev): -21.4870 -21.4870 -21.4870 -21.4870 -21.4798 -21.4798 -21.4798 -21.4798 -13.0650 -13.0650 -13.0650 -13.0650 -13.0120 -13.0120 -13.0120 -13.0120 -8.4727 -8.4727 -8.4725 -8.4725 -8.2878 -8.2878 -8.2877 -8.2877 -6.6164 -6.6164 -6.6144 -6.6144 -6.3978 -6.3978 -6.3956 -6.3956 -6.2585 -6.2585 -6.2574 -6.2574 -5.8816 -5.8816 -5.8807 -5.8807 -3.8073 -3.8073 -3.8066 -3.8066 -3.4693 -3.4693 -3.4689 -3.4689 -1.9569 -1.9569 -1.9559 -1.9559 -1.6624 -1.6624 -1.6621 -1.6621 5.8754 5.8754 5.8755 5.8755 6.6222 6.6222 6.6226 6.6226 7.3060 7.3060 7.3082 7.3082 k = 0.5000 0.0737-0.0000 ( 7612 PWs) bands (ev): -21.4869 -21.4869 -21.4869 -21.4869 -21.4796 -21.4796 -21.4796 -21.4796 -13.0662 -13.0662 -13.0661 -13.0661 -13.0134 -13.0134 -13.0134 -13.0134 -8.4711 -8.4711 -8.4709 -8.4709 -8.2865 -8.2865 -8.2863 -8.2863 -6.6161 -6.6161 -6.6141 -6.6141 -6.4004 -6.4004 -6.3981 -6.3981 -6.2585 -6.2585 -6.2572 -6.2572 -5.8841 -5.8841 -5.8833 -5.8833 -3.8017 -3.8017 -3.8010 -3.8010 -3.4696 -3.4696 -3.4692 -3.4692 -1.9522 -1.9522 -1.9513 -1.9513 -1.6601 -1.6601 -1.6599 -1.6599 5.8704 5.8704 5.8705 5.8705 6.6317 6.6317 6.6321 6.6321 7.2732 7.2732 7.2756 7.2756 k = 0.5000 0.0884-0.0000 ( 7604 PWs) bands (ev): -21.4867 -21.4867 -21.4867 -21.4867 -21.4795 -21.4795 -21.4795 -21.4795 -13.0676 -13.0676 -13.0675 -13.0675 -13.0150 -13.0150 -13.0150 -13.0150 -8.4692 -8.4692 -8.4689 -8.4689 -8.2850 -8.2850 -8.2848 -8.2848 -6.6159 -6.6159 -6.6139 -6.6139 -6.4032 -6.4032 -6.4010 -6.4010 -6.2585 -6.2585 -6.2570 -6.2570 -5.8872 -5.8872 -5.8864 -5.8864 -3.7949 -3.7949 -3.7942 -3.7942 -3.4699 -3.4699 -3.4695 -3.4695 -1.9466 -1.9466 -1.9456 -1.9456 -1.6574 -1.6574 -1.6571 -1.6571 5.8648 5.8648 5.8649 5.8649 6.6423 6.6423 6.6428 6.6428 7.2387 7.2387 7.2413 7.2413 k = 0.5000 0.1031-0.0000 ( 7596 PWs) bands (ev): -21.4865 -21.4865 -21.4865 -21.4865 -21.4793 -21.4793 -21.4793 -21.4793 -13.0692 -13.0692 -13.0692 -13.0692 -13.0169 -13.0169 -13.0169 -13.0169 -8.4668 -8.4668 -8.4665 -8.4665 -8.2832 -8.2832 -8.2830 -8.2830 -6.6159 -6.6159 -6.6140 -6.6140 -6.4063 -6.4063 -6.4040 -6.4040 -6.2584 -6.2584 -6.2568 -6.2568 -5.8908 -5.8908 -5.8900 -5.8900 -3.7872 -3.7872 -3.7864 -3.7864 -3.4703 -3.4703 -3.4698 -3.4698 -1.9400 -1.9400 -1.9390 -1.9390 -1.6542 -1.6542 -1.6539 -1.6539 5.8586 5.8586 5.8588 5.8588 6.6534 6.6534 6.6540 6.6540 7.2036 7.2036 7.2063 7.2063 k = 0.5000 0.1179-0.0000 ( 7600 PWs) bands (ev): -21.4862 -21.4862 -21.4862 -21.4862 -21.4791 -21.4791 -21.4791 -21.4791 -13.0710 -13.0710 -13.0710 -13.0710 -13.0191 -13.0191 -13.0191 -13.0191 -8.4642 -8.4642 -8.4638 -8.4638 -8.2812 -8.2812 -8.2810 -8.2810 -6.6162 -6.6162 -6.6143 -6.6143 -6.4095 -6.4095 -6.4071 -6.4071 -6.2584 -6.2584 -6.2566 -6.2566 -5.8948 -5.8948 -5.8941 -5.8941 -3.7785 -3.7785 -3.7777 -3.7777 -3.4708 -3.4708 -3.4702 -3.4702 -1.9325 -1.9325 -1.9316 -1.9316 -1.6505 -1.6505 -1.6503 -1.6503 5.8523 5.8523 5.8524 5.8524 6.6643 6.6643 6.6650 6.6650 7.1686 7.1686 7.1715 7.1715 k = 0.5000 0.1326-0.0000 ( 7584 PWs) bands (ev): -21.4859 -21.4859 -21.4859 -21.4859 -21.4789 -21.4789 -21.4789 -21.4789 -13.0730 -13.0730 -13.0730 -13.0730 -13.0214 -13.0214 -13.0214 -13.0214 -8.4612 -8.4612 -8.4607 -8.4607 -8.2791 -8.2791 -8.2788 -8.2788 -6.6169 -6.6169 -6.6150 -6.6150 -6.4125 -6.4125 -6.4102 -6.4102 -6.2583 -6.2583 -6.2564 -6.2564 -5.8993 -5.8993 -5.8986 -5.8986 -3.7689 -3.7689 -3.7681 -3.7681 -3.4713 -3.4713 -3.4707 -3.4707 -1.9243 -1.9243 -1.9233 -1.9233 -1.6464 -1.6464 -1.6462 -1.6462 5.8458 5.8458 5.8459 5.8459 6.6742 6.6742 6.6750 6.6750 7.1343 7.1343 7.1373 7.1373 k = 0.5000 0.1473-0.0000 ( 7574 PWs) bands (ev): -21.4856 -21.4856 -21.4856 -21.4856 -21.4786 -21.4786 -21.4786 -21.4786 -13.0752 -13.0752 -13.0752 -13.0752 -13.0240 -13.0240 -13.0239 -13.0239 -8.4578 -8.4578 -8.4574 -8.4574 -8.2767 -8.2767 -8.2764 -8.2764 -6.6181 -6.6181 -6.6162 -6.6162 -6.4155 -6.4155 -6.4131 -6.4131 -6.2581 -6.2581 -6.2560 -6.2560 -5.9043 -5.9043 -5.9035 -5.9035 -3.7586 -3.7586 -3.7578 -3.7578 -3.4719 -3.4719 -3.4713 -3.4713 -1.9152 -1.9152 -1.9143 -1.9143 -1.6419 -1.6419 -1.6416 -1.6416 5.8395 5.8395 5.8397 5.8397 6.6823 6.6823 6.6832 6.6832 7.1011 7.1011 7.1042 7.1042 k = 0.5000 0.1621-0.0000 ( 7570 PWs) bands (ev): -21.4853 -21.4853 -21.4853 -21.4853 -21.4784 -21.4784 -21.4784 -21.4784 -13.0776 -13.0776 -13.0775 -13.0775 -13.0267 -13.0267 -13.0267 -13.0267 -8.4542 -8.4542 -8.4537 -8.4537 -8.2743 -8.2743 -8.2740 -8.2740 -6.6198 -6.6198 -6.6180 -6.6180 -6.4181 -6.4181 -6.4158 -6.4158 -6.2577 -6.2577 -6.2555 -6.2555 -5.9096 -5.9096 -5.9089 -5.9089 -3.7477 -3.7477 -3.7469 -3.7469 -3.4726 -3.4726 -3.4719 -3.4719 -1.9054 -1.9054 -1.9045 -1.9045 -1.6370 -1.6370 -1.6368 -1.6368 5.8335 5.8335 5.8337 5.8337 6.6877 6.6877 6.6886 6.6886 7.0690 7.0690 7.0721 7.0721 k = 0.5000 0.1768-0.0000 ( 7574 PWs) bands (ev): -21.4850 -21.4850 -21.4850 -21.4850 -21.4781 -21.4781 -21.4781 -21.4781 -13.0800 -13.0800 -13.0800 -13.0800 -13.0296 -13.0296 -13.0296 -13.0296 -8.4502 -8.4502 -8.4497 -8.4497 -8.2719 -8.2719 -8.2715 -8.2715 -6.6223 -6.6223 -6.6205 -6.6205 -6.4205 -6.4205 -6.4181 -6.4181 -6.2571 -6.2571 -6.2548 -6.2548 -5.9153 -5.9153 -5.9146 -5.9146 -3.7363 -3.7363 -3.7355 -3.7355 -3.4733 -3.4733 -3.4726 -3.4726 -1.8951 -1.8951 -1.8942 -1.8942 -1.6317 -1.6317 -1.6315 -1.6315 5.8280 5.8280 5.8282 5.8282 6.6897 6.6897 6.6905 6.6905 7.0378 7.0378 7.0410 7.0410 k = 0.5000 0.1915-0.0000 ( 7580 PWs) bands (ev): -21.4847 -21.4847 -21.4847 -21.4847 -21.4778 -21.4778 -21.4778 -21.4778 -13.0826 -13.0826 -13.0825 -13.0825 -13.0326 -13.0326 -13.0326 -13.0326 -8.4460 -8.4460 -8.4455 -8.4455 -8.2694 -8.2694 -8.2690 -8.2690 -6.6254 -6.6254 -6.6237 -6.6237 -6.4226 -6.4226 -6.4201 -6.4201 -6.2561 -6.2561 -6.2538 -6.2538 -5.9215 -5.9215 -5.9207 -5.9207 -3.7246 -3.7246 -3.7237 -3.7237 -3.4741 -3.4741 -3.4733 -3.4733 -1.8842 -1.8842 -1.8833 -1.8833 -1.6262 -1.6262 -1.6260 -1.6260 5.8231 5.8231 5.8233 5.8233 6.6875 6.6875 6.6884 6.6884 7.0070 7.0070 7.0101 7.0101 k = 0.5000 0.2063-0.0000 ( 7576 PWs) bands (ev): -21.4843 -21.4843 -21.4843 -21.4843 -21.4775 -21.4775 -21.4775 -21.4775 -13.0852 -13.0852 -13.0852 -13.0852 -13.0357 -13.0357 -13.0357 -13.0357 -8.4416 -8.4416 -8.4410 -8.4410 -8.2668 -8.2668 -8.2665 -8.2665 -6.6292 -6.6292 -6.6276 -6.6276 -6.4242 -6.4242 -6.4218 -6.4218 -6.2546 -6.2546 -6.2523 -6.2523 -5.9280 -5.9280 -5.9273 -5.9273 -3.7125 -3.7125 -3.7116 -3.7116 -3.4750 -3.4750 -3.4742 -3.4742 -1.8728 -1.8728 -1.8719 -1.8719 -1.6203 -1.6203 -1.6201 -1.6201 5.8190 5.8190 5.8193 5.8193 6.6810 6.6810 6.6819 6.6819 6.9755 6.9755 6.9784 6.9784 k = 0.5000 0.2210-0.0000 ( 7580 PWs) bands (ev): -21.4840 -21.4840 -21.4840 -21.4840 -21.4772 -21.4772 -21.4772 -21.4772 -13.0879 -13.0879 -13.0879 -13.0879 -13.0388 -13.0388 -13.0388 -13.0388 -8.4369 -8.4369 -8.4363 -8.4363 -8.2644 -8.2644 -8.2640 -8.2640 -6.6338 -6.6338 -6.6322 -6.6322 -6.4256 -6.4256 -6.4232 -6.4232 -6.2526 -6.2526 -6.2502 -6.2502 -5.9349 -5.9349 -5.9341 -5.9341 -3.7003 -3.7003 -3.6994 -3.6994 -3.4759 -3.4759 -3.4751 -3.4751 -1.8612 -1.8612 -1.8603 -1.8603 -1.6143 -1.6143 -1.6141 -1.6141 5.8159 5.8159 5.8161 5.8161 6.6704 6.6704 6.6711 6.6711 6.9422 6.9422 6.9450 6.9450 k = 0.5000 0.2357-0.0000 ( 7588 PWs) bands (ev): -21.4836 -21.4836 -21.4836 -21.4836 -21.4769 -21.4769 -21.4769 -21.4769 -13.0906 -13.0906 -13.0906 -13.0906 -13.0420 -13.0420 -13.0420 -13.0420 -8.4320 -8.4320 -8.4314 -8.4314 -8.2620 -8.2620 -8.2616 -8.2616 -6.6390 -6.6390 -6.6375 -6.6375 -6.4268 -6.4268 -6.4243 -6.4243 -6.2500 -6.2500 -6.2476 -6.2476 -5.9421 -5.9421 -5.9414 -5.9414 -3.6880 -3.6880 -3.6871 -3.6871 -3.4769 -3.4769 -3.4761 -3.4761 -1.8492 -1.8492 -1.8484 -1.8484 -1.6080 -1.6080 -1.6078 -1.6078 5.8137 5.8137 5.8140 5.8140 6.6559 6.6559 6.6566 6.6566 6.9062 6.9062 6.9088 6.9088 k = 0.5000 0.2504-0.0000 ( 7592 PWs) bands (ev): -21.4832 -21.4832 -21.4832 -21.4832 -21.4766 -21.4766 -21.4766 -21.4766 -13.0933 -13.0933 -13.0933 -13.0933 -13.0452 -13.0452 -13.0451 -13.0451 -8.4270 -8.4270 -8.4264 -8.4264 -8.2597 -8.2597 -8.2593 -8.2593 -6.6447 -6.6447 -6.6432 -6.6432 -6.4277 -6.4277 -6.4253 -6.4253 -6.2466 -6.2466 -6.2442 -6.2442 -5.9498 -5.9498 -5.9490 -5.9490 -3.6757 -3.6757 -3.6749 -3.6749 -3.4780 -3.4780 -3.4771 -3.4771 -1.8372 -1.8372 -1.8364 -1.8364 -1.6017 -1.6017 -1.6015 -1.6015 5.8127 5.8127 5.8130 5.8130 6.6382 6.6382 6.6389 6.6389 6.8671 6.8671 6.8694 6.8694 k = 0.5000 0.2652-0.0000 ( 7604 PWs) bands (ev): -21.4829 -21.4829 -21.4829 -21.4829 -21.4763 -21.4763 -21.4763 -21.4763 -13.0960 -13.0960 -13.0960 -13.0960 -13.0483 -13.0483 -13.0483 -13.0483 -8.4218 -8.4218 -8.4213 -8.4213 -8.2575 -8.2575 -8.2571 -8.2571 -6.6508 -6.6508 -6.6494 -6.6494 -6.4286 -6.4286 -6.4262 -6.4262 -6.2424 -6.2424 -6.2400 -6.2400 -5.9578 -5.9578 -5.9570 -5.9570 -3.6637 -3.6637 -3.6628 -3.6628 -3.4792 -3.4792 -3.4783 -3.4783 -1.8252 -1.8252 -1.8244 -1.8244 -1.5953 -1.5953 -1.5951 -1.5951 5.8129 5.8129 5.8133 5.8133 6.6179 6.6179 6.6185 6.6185 6.8252 6.8252 6.8273 6.8273 k = 0.5000 0.2799-0.0000 ( 7604 PWs) bands (ev): -21.4825 -21.4825 -21.4825 -21.4825 -21.4760 -21.4760 -21.4760 -21.4760 -13.0986 -13.0986 -13.0986 -13.0986 -13.0514 -13.0514 -13.0513 -13.0513 -8.4166 -8.4166 -8.4161 -8.4161 -8.2555 -8.2555 -8.2551 -8.2551 -6.6572 -6.6572 -6.6559 -6.6559 -6.4294 -6.4294 -6.4272 -6.4272 -6.2373 -6.2373 -6.2351 -6.2351 -5.9661 -5.9661 -5.9654 -5.9654 -3.6518 -3.6518 -3.6509 -3.6509 -3.4804 -3.4804 -3.4796 -3.4796 -1.8133 -1.8133 -1.8125 -1.8125 -1.5888 -1.5888 -1.5887 -1.5887 5.8145 5.8145 5.8148 5.8148 6.5952 6.5952 6.5958 6.5958 6.7815 6.7815 6.7833 6.7833 k = 0.5000 0.2946-0.0000 ( 7606 PWs) bands (ev): -21.4822 -21.4822 -21.4822 -21.4822 -21.4758 -21.4758 -21.4758 -21.4758 -13.1011 -13.1011 -13.1011 -13.1011 -13.0544 -13.0544 -13.0543 -13.0543 -8.4114 -8.4114 -8.4109 -8.4109 -8.2536 -8.2536 -8.2532 -8.2532 -6.6638 -6.6638 -6.6626 -6.6626 -6.4303 -6.4303 -6.4281 -6.4281 -6.2313 -6.2313 -6.2292 -6.2292 -5.9748 -5.9748 -5.9741 -5.9741 -3.6403 -3.6403 -3.6394 -3.6394 -3.4818 -3.4818 -3.4809 -3.4809 -1.8016 -1.8016 -1.8009 -1.8009 -1.5825 -1.5825 -1.5823 -1.5823 5.8174 5.8174 5.8177 5.8177 6.5704 6.5704 6.5710 6.5710 6.7374 6.7374 6.7389 6.7389 k = 0.5000 0.3094-0.0000 ( 7596 PWs) bands (ev): -21.4819 -21.4819 -21.4819 -21.4819 -21.4755 -21.4755 -21.4755 -21.4755 -13.1036 -13.1036 -13.1035 -13.1035 -13.0572 -13.0572 -13.0572 -13.0572 -8.4062 -8.4062 -8.4057 -8.4057 -8.2519 -8.2519 -8.2515 -8.2515 -6.6704 -6.6704 -6.6692 -6.6692 -6.4311 -6.4311 -6.4291 -6.4291 -6.2245 -6.2245 -6.2225 -6.2225 -5.9839 -5.9839 -5.9831 -5.9831 -3.6292 -3.6292 -3.6283 -3.6283 -3.4832 -3.4832 -3.4824 -3.4824 -1.7902 -1.7902 -1.7896 -1.7896 -1.5763 -1.5763 -1.5762 -1.5762 5.8217 5.8217 5.8221 5.8221 6.5430 6.5430 6.5437 6.5437 6.6948 6.6948 6.6959 6.6959 k = 0.5000 0.3241-0.0000 ( 7608 PWs) bands (ev): -21.4816 -21.4816 -21.4816 -21.4816 -21.4752 -21.4752 -21.4752 -21.4752 -13.1059 -13.1059 -13.1058 -13.1058 -13.0599 -13.0599 -13.0599 -13.0599 -8.4012 -8.4012 -8.4007 -8.4007 -8.2505 -8.2505 -8.2501 -8.2501 -6.6769 -6.6769 -6.6759 -6.6759 -6.4321 -6.4321 -6.4302 -6.4302 -6.2170 -6.2170 -6.2151 -6.2151 -5.9933 -5.9933 -5.9925 -5.9925 -3.6185 -3.6185 -3.6177 -3.6177 -3.4848 -3.4848 -3.4839 -3.4839 -1.7794 -1.7794 -1.7788 -1.7788 -1.5703 -1.5703 -1.5702 -1.5702 5.8275 5.8275 5.8279 5.8279 6.5128 6.5128 6.5136 6.5136 6.6554 6.6554 6.6562 6.6562 k = 0.5000 0.3388-0.0000 ( 7608 PWs) bands (ev): -21.4813 -21.4813 -21.4813 -21.4813 -21.4750 -21.4750 -21.4750 -21.4750 -13.1080 -13.1080 -13.1080 -13.1080 -13.0625 -13.0625 -13.0624 -13.0624 -8.3963 -8.3963 -8.3958 -8.3958 -8.2492 -8.2492 -8.2489 -8.2489 -6.6832 -6.6832 -6.6822 -6.6822 -6.4331 -6.4331 -6.4314 -6.4314 -6.2086 -6.2086 -6.2069 -6.2069 -6.0030 -6.0030 -6.0022 -6.0022 -3.6085 -3.6085 -3.6076 -3.6076 -3.4865 -3.4865 -3.4856 -3.4856 -1.7692 -1.7692 -1.7686 -1.7686 -1.5647 -1.5647 -1.5645 -1.5645 5.8348 5.8348 5.8352 5.8352 6.4794 6.4794 6.4804 6.4804 6.6207 6.6207 6.6212 6.6212 k = 0.5000 0.3536-0.0000 ( 7604 PWs) bands (ev): -21.4810 -21.4810 -21.4810 -21.4810 -21.4748 -21.4748 -21.4748 -21.4748 -13.1100 -13.1100 -13.1100 -13.1100 -13.0648 -13.0648 -13.0648 -13.0648 -8.3916 -8.3916 -8.3912 -8.3912 -8.2481 -8.2481 -8.2478 -8.2478 -6.6892 -6.6892 -6.6883 -6.6883 -6.4341 -6.4341 -6.4326 -6.4326 -6.1996 -6.1996 -6.1980 -6.1980 -6.0130 -6.0130 -6.0122 -6.0122 -3.5990 -3.5990 -3.5982 -3.5982 -3.4882 -3.4882 -3.4874 -3.4874 -1.7596 -1.7596 -1.7591 -1.7591 -1.5593 -1.5593 -1.5592 -1.5592 5.8434 5.8434 5.8439 5.8439 6.4433 6.4433 6.4444 6.4444 6.5914 6.5914 6.5916 6.5916 k = 0.5000 0.3683-0.0000 ( 7604 PWs) bands (ev): -21.4807 -21.4807 -21.4807 -21.4807 -21.4746 -21.4746 -21.4746 -21.4746 -13.1118 -13.1118 -13.1118 -13.1118 -13.0669 -13.0669 -13.0669 -13.0669 -8.3872 -8.3872 -8.3868 -8.3868 -8.2472 -8.2472 -8.2469 -8.2469 -6.6947 -6.6947 -6.6939 -6.6939 -6.4351 -6.4351 -6.4338 -6.4338 -6.1901 -6.1901 -6.1886 -6.1886 -6.0232 -6.0232 -6.0224 -6.0224 -3.5902 -3.5902 -3.5894 -3.5894 -3.4900 -3.4900 -3.4892 -3.4892 -1.7509 -1.7509 -1.7505 -1.7505 -1.5545 -1.5545 -1.5544 -1.5544 5.8534 5.8534 5.8538 5.8538 6.4057 6.4057 6.4068 6.4068 6.5671 6.5671 6.5674 6.5674 k = 0.5000 0.3830-0.0000 ( 7592 PWs) bands (ev): -21.4805 -21.4805 -21.4805 -21.4805 -21.4744 -21.4744 -21.4744 -21.4744 -13.1134 -13.1134 -13.1133 -13.1133 -13.0688 -13.0688 -13.0688 -13.0688 -8.3833 -8.3833 -8.3829 -8.3829 -8.2465 -8.2465 -8.2463 -8.2463 -6.6997 -6.6997 -6.6990 -6.6990 -6.4361 -6.4361 -6.4350 -6.4350 -6.1801 -6.1801 -6.1788 -6.1788 -6.0336 -6.0336 -6.0328 -6.0328 -3.5822 -3.5822 -3.5814 -3.5814 -3.4919 -3.4919 -3.4912 -3.4912 -1.7431 -1.7431 -1.7427 -1.7427 -1.5501 -1.5501 -1.5500 -1.5500 5.8644 5.8644 5.8649 5.8649 6.3681 6.3681 6.3692 6.3692 6.5474 6.5474 6.5477 6.5477 k = 0.5000 0.3978-0.0000 ( 7592 PWs) bands (ev): -21.4803 -21.4803 -21.4803 -21.4803 -21.4742 -21.4742 -21.4742 -21.4742 -13.1147 -13.1147 -13.1147 -13.1147 -13.0704 -13.0704 -13.0704 -13.0704 -8.3798 -8.3798 -8.3794 -8.3794 -8.2460 -8.2460 -8.2458 -8.2458 -6.7040 -6.7040 -6.7034 -6.7034 -6.4370 -6.4370 -6.4360 -6.4360 -6.1699 -6.1699 -6.1687 -6.1687 -6.0441 -6.0441 -6.0433 -6.0433 -3.5750 -3.5750 -3.5743 -3.5743 -3.4938 -3.4938 -3.4931 -3.4931 -1.7364 -1.7364 -1.7361 -1.7361 -1.5462 -1.5462 -1.5462 -1.5462 5.8761 5.8761 5.8766 5.8766 6.3322 6.3322 6.3333 6.3333 6.5316 6.5316 6.5318 6.5318 k = 0.5000 0.4125-0.0000 ( 7588 PWs) bands (ev): -21.4802 -21.4802 -21.4802 -21.4802 -21.4741 -21.4741 -21.4741 -21.4741 -13.1159 -13.1159 -13.1159 -13.1159 -13.0718 -13.0718 -13.0718 -13.0718 -8.3768 -8.3768 -8.3765 -8.3765 -8.2456 -8.2456 -8.2454 -8.2454 -6.7077 -6.7077 -6.7072 -6.7072 -6.4377 -6.4377 -6.4370 -6.4370 -6.1596 -6.1596 -6.1585 -6.1585 -6.0545 -6.0545 -6.0537 -6.0537 -3.5688 -3.5688 -3.5682 -3.5682 -3.4956 -3.4956 -3.4950 -3.4950 -1.7307 -1.7307 -1.7305 -1.7305 -1.5430 -1.5430 -1.5430 -1.5430 5.8880 5.8880 5.8885 5.8885 6.2996 6.2996 6.3005 6.3005 6.5191 6.5191 6.5193 6.5193 k = 0.5000 0.4272-0.0000 ( 7588 PWs) bands (ev): -21.4800 -21.4800 -21.4800 -21.4800 -21.4740 -21.4740 -21.4740 -21.4740 -13.1168 -13.1168 -13.1168 -13.1168 -13.0728 -13.0728 -13.0728 -13.0728 -8.3743 -8.3743 -8.3741 -8.3741 -8.2453 -8.2453 -8.2451 -8.2451 -6.7106 -6.7106 -6.7102 -6.7102 -6.4384 -6.4384 -6.4378 -6.4378 -6.1495 -6.1495 -6.1485 -6.1485 -6.0646 -6.0646 -6.0639 -6.0639 -3.5637 -3.5637 -3.5632 -3.5632 -3.4972 -3.4972 -3.4967 -3.4967 -1.7263 -1.7263 -1.7261 -1.7261 -1.5405 -1.5405 -1.5404 -1.5404 5.8993 5.8993 5.8997 5.8997 6.2716 6.2716 6.2724 6.2724 6.5096 6.5096 6.5098 6.5098 k = 0.5000 0.4420-0.0000 ( 7588 PWs) bands (ev): -21.4800 -21.4800 -21.4800 -21.4800 -21.4739 -21.4739 -21.4739 -21.4739 -13.1174 -13.1174 -13.1174 -13.1174 -13.0736 -13.0736 -13.0736 -13.0736 -8.3726 -8.3726 -8.3724 -8.3724 -8.2451 -8.2451 -8.2450 -8.2450 -6.7126 -6.7126 -6.7124 -6.7124 -6.4388 -6.4388 -6.4384 -6.4384 -6.1402 -6.1402 -6.1394 -6.1394 -6.0738 -6.0738 -6.0731 -6.0731 -3.5598 -3.5598 -3.5594 -3.5594 -3.4985 -3.4985 -3.4982 -3.4982 -1.7230 -1.7230 -1.7229 -1.7229 -1.5386 -1.5386 -1.5386 -1.5386 5.9088 5.9088 5.9091 5.9091 6.2499 6.2499 6.2505 6.2505 6.5029 6.5029 6.5030 6.5030 k = 0.5000 0.4567-0.0000 ( 7592 PWs) bands (ev): -21.4799 -21.4799 -21.4799 -21.4799 -21.4739 -21.4739 -21.4739 -21.4739 -13.1178 -13.1178 -13.1178 -13.1178 -13.0741 -13.0741 -13.0741 -13.0741 -8.3715 -8.3715 -8.3714 -8.3714 -8.2450 -8.2450 -8.2449 -8.2449 -6.7139 -6.7139 -6.7138 -6.7138 -6.4390 -6.4390 -6.4388 -6.4388 -6.1329 -6.1329 -6.1325 -6.1325 -6.0808 -6.0808 -6.0804 -6.0804 -3.5573 -3.5573 -3.5571 -3.5571 -3.4994 -3.4994 -3.4992 -3.4992 -1.7211 -1.7211 -1.7210 -1.7210 -1.5375 -1.5375 -1.5375 -1.5375 5.9154 5.9154 5.9155 5.9155 6.2361 6.2361 6.2364 6.2364 6.4989 6.4989 6.4990 6.4990 k = 0.5000 0.4714-0.0000 ( 7588 PWs) bands (ev): -21.4799 -21.4799 -21.4799 -21.4799 -21.4739 -21.4739 -21.4739 -21.4739 -13.1179 -13.1179 -13.1179 -13.1179 -13.0742 -13.0742 -13.0742 -13.0742 -8.3711 -8.3711 -8.3711 -8.3711 -8.2449 -8.2449 -8.2449 -8.2449 -6.7143 -6.7143 -6.7143 -6.7143 -6.4390 -6.4390 -6.4390 -6.4390 -6.1298 -6.1298 -6.1298 -6.1298 -6.0835 -6.0835 -6.0835 -6.0835 -3.5564 -3.5564 -3.5564 -3.5564 -3.4996 -3.4996 -3.4996 -3.4996 -1.7204 -1.7204 -1.7204 -1.7204 -1.5371 -1.5371 -1.5371 -1.5371 5.9177 5.9177 5.9177 5.9177 6.2315 6.2315 6.2315 6.2315 6.4977 6.4977 6.4977 6.4977 k = 0.5000 0.4714-0.0000 ( 7588 PWs) bands (ev): -21.4799 -21.4799 -21.4799 -21.4799 -21.4739 -21.4739 -21.4739 -21.4739 -13.1179 -13.1179 -13.1179 -13.1179 -13.0742 -13.0742 -13.0742 -13.0742 -8.3711 -8.3711 -8.3711 -8.3711 -8.2449 -8.2449 -8.2449 -8.2449 -6.7143 -6.7143 -6.7143 -6.7143 -6.4390 -6.4390 -6.4390 -6.4390 -6.1298 -6.1298 -6.1298 -6.1298 -6.0835 -6.0835 -6.0835 -6.0835 -3.5564 -3.5564 -3.5564 -3.5564 -3.4996 -3.4996 -3.4996 -3.4996 -1.7204 -1.7204 -1.7204 -1.7204 -1.5371 -1.5371 -1.5371 -1.5371 5.9177 5.9177 5.9177 5.9177 6.2315 6.2315 6.2315 6.2315 6.4977 6.4977 6.4977 6.4977 k = 0.4853 0.4714-0.0000 ( 7576 PWs) bands (ev): -21.4907 -21.4907 -21.4907 -21.4907 -21.4630 -21.4630 -21.4630 -21.4630 -13.1179 -13.1179 -13.1179 -13.1179 -13.0743 -13.0743 -13.0743 -13.0743 -8.3732 -8.3732 -8.3729 -8.3729 -8.2429 -8.2429 -8.2427 -8.2427 -6.7142 -6.7142 -6.7142 -6.7142 -6.4391 -6.4391 -6.4389 -6.4389 -6.1299 -6.1299 -6.1298 -6.1298 -6.0833 -6.0833 -6.0831 -6.0831 -3.5683 -3.5683 -3.5678 -3.5678 -3.4879 -3.4879 -3.4873 -3.4873 -1.7210 -1.7210 -1.7209 -1.7209 -1.5368 -1.5368 -1.5366 -1.5366 5.9104 5.9104 5.9106 5.9106 6.2331 6.2331 6.2334 6.2334 6.5003 6.5003 6.5005 6.5005 k = 0.4706 0.4714-0.0000 ( 7578 PWs) bands (ev): -21.5041 -21.5041 -21.5041 -21.5041 -21.4496 -21.4496 -21.4496 -21.4496 -13.1179 -13.1179 -13.1179 -13.1179 -13.0744 -13.0744 -13.0744 -13.0744 -8.3788 -8.3788 -8.3785 -8.3785 -8.2371 -8.2371 -8.2367 -8.2367 -6.7141 -6.7141 -6.7140 -6.7140 -6.4391 -6.4391 -6.4388 -6.4388 -6.1301 -6.1301 -6.1299 -6.1299 -6.0827 -6.0827 -6.0822 -6.0822 -3.5913 -3.5913 -3.5906 -3.5906 -3.4640 -3.4640 -3.4633 -3.4633 -1.7228 -1.7228 -1.7225 -1.7225 -1.5355 -1.5355 -1.5352 -1.5352 5.8896 5.8896 5.8898 5.8898 6.2379 6.2379 6.2383 6.2383 6.5079 6.5079 6.5082 6.5082 k = 0.4559 0.4714-0.0000 ( 7580 PWs) bands (ev): -21.5174 -21.5174 -21.5174 -21.5174 -21.4361 -21.4361 -21.4361 -21.4361 -13.1179 -13.1179 -13.1179 -13.1179 -13.0746 -13.0746 -13.0746 -13.0746 -8.3873 -8.3873 -8.3868 -8.3868 -8.2283 -8.2283 -8.2276 -8.2276 -6.7138 -6.7138 -6.7137 -6.7137 -6.4391 -6.4391 -6.4385 -6.4385 -6.1304 -6.1304 -6.1301 -6.1301 -6.0815 -6.0815 -6.0809 -6.0809 -3.6167 -3.6167 -3.6160 -3.6160 -3.4370 -3.4370 -3.4362 -3.4362 -1.7256 -1.7256 -1.7252 -1.7252 -1.5335 -1.5335 -1.5331 -1.5331 5.8574 5.8574 5.8577 5.8577 6.2447 6.2447 6.2452 6.2452 6.5192 6.5192 6.5197 6.5197 k = 0.4412 0.4714-0.0000 ( 7600 PWs) bands (ev): -21.5307 -21.5307 -21.5307 -21.5307 -21.4227 -21.4227 -21.4227 -21.4227 -13.1180 -13.1180 -13.1179 -13.1179 -13.0750 -13.0750 -13.0749 -13.0749 -8.3977 -8.3977 -8.3971 -8.3971 -8.2173 -8.2173 -8.2166 -8.2166 -6.7135 -6.7135 -6.7134 -6.7134 -6.4390 -6.4390 -6.4383 -6.4383 -6.1308 -6.1308 -6.1304 -6.1304 -6.0800 -6.0800 -6.0791 -6.0791 -3.6426 -3.6426 -3.6419 -3.6419 -3.4088 -3.4088 -3.4080 -3.4080 -1.7294 -1.7294 -1.7289 -1.7289 -1.5308 -1.5308 -1.5302 -1.5302 5.8165 5.8165 5.8169 5.8169 6.2524 6.2524 6.2531 6.2531 6.5326 6.5326 6.5333 6.5333 k = 0.4265 0.4714-0.0000 ( 7594 PWs) bands (ev): -21.5438 -21.5438 -21.5438 -21.5438 -21.4093 -21.4093 -21.4093 -21.4093 -13.1179 -13.1179 -13.1179 -13.1179 -13.0754 -13.0754 -13.0753 -13.0753 -8.4092 -8.4092 -8.4086 -8.4086 -8.2048 -8.2048 -8.2040 -8.2040 -6.7131 -6.7131 -6.7130 -6.7130 -6.4388 -6.4388 -6.4379 -6.4379 -6.1312 -6.1312 -6.1307 -6.1307 -6.0779 -6.0779 -6.0770 -6.0770 -3.6683 -3.6683 -3.6676 -3.6676 -3.3801 -3.3801 -3.3793 -3.3793 -1.7341 -1.7341 -1.7334 -1.7334 -1.5274 -1.5274 -1.5267 -1.5267 5.7691 5.7691 5.7695 5.7695 6.2606 6.2606 6.2613 6.2613 6.5464 6.5464 6.5472 6.5472 k = 0.4118 0.4714-0.0000 ( 7594 PWs) bands (ev): -21.5568 -21.5568 -21.5568 -21.5568 -21.3961 -21.3961 -21.3961 -21.3961 -13.1179 -13.1179 -13.1179 -13.1179 -13.0759 -13.0759 -13.0758 -13.0758 -8.4215 -8.4215 -8.4208 -8.4208 -8.1914 -8.1914 -8.1906 -8.1906 -6.7127 -6.7127 -6.7126 -6.7126 -6.4384 -6.4384 -6.4373 -6.4373 -6.1317 -6.1317 -6.1311 -6.1311 -6.0756 -6.0756 -6.0745 -6.0745 -3.6936 -3.6936 -3.6929 -3.6929 -3.3512 -3.3512 -3.3503 -3.3503 -1.7395 -1.7395 -1.7387 -1.7387 -1.5236 -1.5236 -1.5227 -1.5227 5.7170 5.7170 5.7174 5.7174 6.2688 6.2688 6.2696 6.2696 6.5589 6.5589 6.5598 6.5598 k = 0.3971 0.4714-0.0000 ( 7594 PWs) bands (ev): -21.5696 -21.5696 -21.5696 -21.5696 -21.3830 -21.3830 -21.3830 -21.3830 -13.1179 -13.1179 -13.1178 -13.1178 -13.0764 -13.0764 -13.0763 -13.0763 -8.4342 -8.4342 -8.4336 -8.4336 -8.1774 -8.1774 -8.1765 -8.1765 -6.7123 -6.7123 -6.7121 -6.7121 -6.4378 -6.4378 -6.4365 -6.4365 -6.1322 -6.1322 -6.1316 -6.1316 -6.0729 -6.0729 -6.0717 -6.0717 -3.7183 -3.7183 -3.7177 -3.7177 -3.3221 -3.3221 -3.3213 -3.3213 -1.7454 -1.7454 -1.7446 -1.7446 -1.5194 -1.5194 -1.5184 -1.5184 5.6614 5.6614 5.6618 5.6618 6.2770 6.2770 6.2778 6.2778 6.5689 6.5689 6.5698 6.5698 k = 0.3824 0.4714-0.0000 ( 7598 PWs) bands (ev): -21.5821 -21.5821 -21.5821 -21.5821 -21.3700 -21.3700 -21.3700 -21.3700 -13.1179 -13.1179 -13.1178 -13.1178 -13.0771 -13.0771 -13.0770 -13.0770 -8.4472 -8.4472 -8.4465 -8.4465 -8.1629 -8.1629 -8.1620 -8.1620 -6.7120 -6.7120 -6.7117 -6.7117 -6.4369 -6.4369 -6.4355 -6.4355 -6.1328 -6.1328 -6.1321 -6.1321 -6.0700 -6.0700 -6.0687 -6.0687 -3.7425 -3.7425 -3.7418 -3.7418 -3.2932 -3.2932 -3.2924 -3.2924 -1.7519 -1.7519 -1.7510 -1.7510 -1.5149 -1.5149 -1.5139 -1.5139 5.6035 5.6035 5.6038 5.6038 6.2850 6.2850 6.2858 6.2858 6.5754 6.5754 6.5765 6.5765 k = 0.3676 0.4714-0.0000 ( 7602 PWs) bands (ev): -21.5945 -21.5945 -21.5945 -21.5945 -21.3573 -21.3573 -21.3573 -21.3573 -13.1179 -13.1179 -13.1177 -13.1177 -13.0778 -13.0778 -13.0777 -13.0777 -8.4602 -8.4602 -8.4595 -8.4595 -8.1483 -8.1483 -8.1473 -8.1473 -6.7117 -6.7117 -6.7114 -6.7114 -6.4357 -6.4357 -6.4342 -6.4342 -6.1333 -6.1333 -6.1326 -6.1326 -6.0670 -6.0670 -6.0655 -6.0655 -3.7659 -3.7659 -3.7653 -3.7653 -3.2644 -3.2644 -3.2636 -3.2636 -1.7587 -1.7587 -1.7578 -1.7578 -1.5102 -1.5102 -1.5091 -1.5091 5.5439 5.5439 5.5443 5.5443 6.2927 6.2927 6.2936 6.2936 6.5780 6.5780 6.5791 6.5791 k = 0.3529 0.4714-0.0000 ( 7596 PWs) bands (ev): -21.6065 -21.6065 -21.6065 -21.6065 -21.3449 -21.3449 -21.3448 -21.3448 -13.1178 -13.1178 -13.1177 -13.1177 -13.0785 -13.0785 -13.0784 -13.0784 -8.4731 -8.4731 -8.4724 -8.4724 -8.1335 -8.1335 -8.1325 -8.1325 -6.7115 -6.7115 -6.7112 -6.7112 -6.4342 -6.4342 -6.4326 -6.4326 -6.1339 -6.1339 -6.1332 -6.1332 -6.0637 -6.0637 -6.0622 -6.0622 -3.7886 -3.7886 -3.7879 -3.7879 -3.2358 -3.2358 -3.2350 -3.2350 -1.7659 -1.7659 -1.7648 -1.7648 -1.5054 -1.5054 -1.5043 -1.5043 5.4834 5.4834 5.4837 5.4837 6.2998 6.2998 6.3008 6.3008 6.5764 6.5764 6.5776 6.5776 k = 0.3382 0.4714-0.0000 ( 7612 PWs) bands (ev): -21.6183 -21.6183 -21.6183 -21.6183 -21.3326 -21.3326 -21.3326 -21.3326 -13.1178 -13.1178 -13.1177 -13.1177 -13.0794 -13.0794 -13.0792 -13.0792 -8.4859 -8.4859 -8.4853 -8.4853 -8.1187 -8.1187 -8.1177 -8.1177 -6.7114 -6.7114 -6.7111 -6.7111 -6.4322 -6.4322 -6.4305 -6.4305 -6.1346 -6.1346 -6.1339 -6.1339 -6.0604 -6.0604 -6.0588 -6.0588 -3.8104 -3.8104 -3.8098 -3.8098 -3.2076 -3.2076 -3.2068 -3.2068 -1.7732 -1.7732 -1.7721 -1.7721 -1.5006 -1.5006 -1.4994 -1.4994 5.4224 5.4224 5.4228 5.4228 6.3061 6.3061 6.3071 6.3071 6.5708 6.5708 6.5722 6.5722 k = 0.3235 0.4714-0.0000 ( 7612 PWs) bands (ev): -21.6297 -21.6297 -21.6297 -21.6297 -21.3207 -21.3207 -21.3207 -21.3207 -13.1177 -13.1177 -13.1176 -13.1176 -13.0803 -13.0803 -13.0801 -13.0801 -8.4985 -8.4985 -8.4979 -8.4979 -8.1040 -8.1040 -8.1030 -8.1030 -6.7115 -6.7115 -6.7111 -6.7111 -6.4299 -6.4299 -6.4281 -6.4281 -6.1354 -6.1354 -6.1346 -6.1346 -6.0570 -6.0570 -6.0553 -6.0553 -3.8314 -3.8314 -3.8309 -3.8309 -3.1798 -3.1798 -3.1790 -3.1790 -1.7806 -1.7806 -1.7795 -1.7795 -1.4958 -1.4958 -1.4946 -1.4946 5.3615 5.3615 5.3619 5.3619 6.3110 6.3110 6.3121 6.3121 6.5619 6.5619 6.5632 6.5632 k = 0.3088 0.4714-0.0000 ( 7612 PWs) bands (ev): -21.6408 -21.6408 -21.6408 -21.6408 -21.3091 -21.3091 -21.3091 -21.3091 -13.1177 -13.1177 -13.1175 -13.1175 -13.0812 -13.0812 -13.0810 -13.0810 -8.5109 -8.5109 -8.5103 -8.5103 -8.0894 -8.0894 -8.0884 -8.0884 -6.7118 -6.7118 -6.7113 -6.7113 -6.4271 -6.4271 -6.4252 -6.4252 -6.1362 -6.1362 -6.1354 -6.1354 -6.0536 -6.0536 -6.0519 -6.0519 -3.8516 -3.8516 -3.8510 -3.8510 -3.1525 -3.1525 -3.1517 -3.1517 -1.7880 -1.7880 -1.7869 -1.7869 -1.4911 -1.4911 -1.4899 -1.4899 5.3011 5.3011 5.3014 5.3014 6.3139 6.3139 6.3150 6.3150 6.5503 6.5503 6.5518 6.5518 k = 0.2941 0.4714-0.0000 ( 7612 PWs) bands (ev): -21.6516 -21.6516 -21.6516 -21.6516 -21.2978 -21.2978 -21.2978 -21.2978 -13.1176 -13.1176 -13.1174 -13.1174 -13.0821 -13.0821 -13.0820 -13.0820 -8.5229 -8.5229 -8.5224 -8.5224 -8.0751 -8.0751 -8.0741 -8.0741 -6.7122 -6.7122 -6.7116 -6.7116 -6.4238 -6.4238 -6.4218 -6.4218 -6.1371 -6.1371 -6.1363 -6.1363 -6.0502 -6.0502 -6.0485 -6.0485 -3.8708 -3.8708 -3.8702 -3.8702 -3.1257 -3.1257 -3.1249 -3.1249 -1.7954 -1.7954 -1.7943 -1.7943 -1.4866 -1.4866 -1.4852 -1.4852 5.2414 5.2414 5.2417 5.2417 6.3140 6.3140 6.3152 6.3152 6.5374 6.5374 6.5389 6.5389 k = 0.2794 0.4714-0.0000 ( 7598 PWs) bands (ev): -21.6619 -21.6619 -21.6619 -21.6619 -21.2869 -21.2869 -21.2869 -21.2869 -13.1175 -13.1175 -13.1173 -13.1173 -13.0831 -13.0831 -13.0829 -13.0829 -8.5346 -8.5346 -8.5341 -8.5341 -8.0610 -8.0610 -8.0600 -8.0600 -6.7127 -6.7127 -6.7121 -6.7121 -6.4201 -6.4201 -6.4181 -6.4181 -6.1381 -6.1381 -6.1372 -6.1372 -6.0468 -6.0468 -6.0451 -6.0451 -3.8891 -3.8891 -3.8885 -3.8885 -3.0997 -3.0997 -3.0989 -3.0989 -1.8028 -1.8028 -1.8016 -1.8016 -1.4821 -1.4821 -1.4808 -1.4808 5.1828 5.1828 5.1831 5.1831 6.3103 6.3103 6.3115 6.3115 6.5245 6.5245 6.5261 6.5261 k = 0.2647 0.4714-0.0000 ( 7606 PWs) bands (ev): -21.6718 -21.6718 -21.6718 -21.6718 -21.2764 -21.2764 -21.2764 -21.2764 -13.1174 -13.1174 -13.1172 -13.1172 -13.0841 -13.0841 -13.0839 -13.0839 -8.5460 -8.5460 -8.5454 -8.5454 -8.0473 -8.0473 -8.0463 -8.0463 -6.7135 -6.7135 -6.7128 -6.7128 -6.4159 -6.4159 -6.4139 -6.4139 -6.1392 -6.1392 -6.1384 -6.1384 -6.0436 -6.0436 -6.0418 -6.0418 -3.9064 -3.9064 -3.9059 -3.9059 -3.0743 -3.0743 -3.0735 -3.0735 -1.8100 -1.8100 -1.8088 -1.8088 -1.4779 -1.4779 -1.4765 -1.4765 5.1256 5.1256 5.1259 5.1259 6.3018 6.3018 6.3030 6.3030 6.5132 6.5132 6.5147 6.5147 k = 0.2500 0.4714-0.0000 ( 7612 PWs) bands (ev): -21.6814 -21.6814 -21.6814 -21.6814 -21.2664 -21.2664 -21.2663 -21.2663 -13.1173 -13.1173 -13.1171 -13.1171 -13.0851 -13.0851 -13.0849 -13.0849 -8.5569 -8.5569 -8.5564 -8.5564 -8.0339 -8.0339 -8.0329 -8.0329 -6.7144 -6.7144 -6.7137 -6.7137 -6.4113 -6.4113 -6.4093 -6.4093 -6.1405 -6.1405 -6.1396 -6.1396 -6.0404 -6.0404 -6.0387 -6.0387 -3.9228 -3.9228 -3.9223 -3.9223 -3.0498 -3.0498 -3.0490 -3.0490 -1.8171 -1.8171 -1.8158 -1.8158 -1.4739 -1.4739 -1.4725 -1.4725 5.0700 5.0700 5.0703 5.0703 6.2882 6.2882 6.2894 6.2894 6.5044 6.5044 6.5058 6.5058 k = 0.2353 0.4714-0.0000 ( 7616 PWs) bands (ev): -21.6905 -21.6905 -21.6905 -21.6905 -21.2567 -21.2567 -21.2567 -21.2567 -13.1172 -13.1172 -13.1170 -13.1170 -13.0861 -13.0861 -13.0859 -13.0859 -8.5674 -8.5674 -8.5669 -8.5669 -8.0210 -8.0210 -8.0200 -8.0200 -6.7154 -6.7154 -6.7146 -6.7146 -6.4064 -6.4064 -6.4044 -6.4044 -6.1419 -6.1419 -6.1410 -6.1410 -6.0374 -6.0374 -6.0356 -6.0356 -3.9381 -3.9381 -3.9377 -3.9377 -3.0261 -3.0261 -3.0254 -3.0254 -1.8239 -1.8239 -1.8226 -1.8226 -1.4700 -1.4700 -1.4686 -1.4686 5.0164 5.0164 5.0167 5.0167 6.2696 6.2696 6.2707 6.2707 6.4986 6.4986 6.4999 6.4999 k = 0.2206 0.4714-0.0000 ( 7624 PWs) bands (ev): -21.6991 -21.6991 -21.6991 -21.6991 -21.2475 -21.2475 -21.2475 -21.2475 -13.1171 -13.1171 -13.1169 -13.1169 -13.0871 -13.0871 -13.0869 -13.0869 -8.5774 -8.5774 -8.5769 -8.5769 -8.0086 -8.0086 -8.0076 -8.0076 -6.7166 -6.7166 -6.7157 -6.7157 -6.4012 -6.4012 -6.3991 -6.3991 -6.1434 -6.1434 -6.1425 -6.1425 -6.0345 -6.0345 -6.0328 -6.0328 -3.9526 -3.9526 -3.9521 -3.9521 -3.0035 -3.0035 -3.0028 -3.0028 -1.8305 -1.8305 -1.8292 -1.8292 -1.4664 -1.4664 -1.4650 -1.4650 4.9648 4.9648 4.9651 4.9651 6.2468 6.2468 6.2477 6.2477 6.4954 6.4954 6.4965 6.4965 k = 0.2059 0.4714-0.0000 ( 7624 PWs) bands (ev): -21.7072 -21.7072 -21.7072 -21.7072 -21.2388 -21.2388 -21.2388 -21.2388 -13.1170 -13.1170 -13.1168 -13.1168 -13.0881 -13.0881 -13.0879 -13.0879 -8.5869 -8.5869 -8.5864 -8.5864 -7.9968 -7.9968 -7.9957 -7.9957 -6.7178 -6.7178 -6.7168 -6.7168 -6.3956 -6.3956 -6.3936 -6.3936 -6.1451 -6.1451 -6.1442 -6.1442 -6.0318 -6.0318 -6.0300 -6.0300 -3.9660 -3.9660 -3.9655 -3.9655 -2.9819 -2.9819 -2.9812 -2.9812 -1.8368 -1.8368 -1.8355 -1.8355 -1.4631 -1.4631 -1.4616 -1.4616 4.9156 4.9156 4.9158 4.9158 6.2209 6.2209 6.2218 6.2218 6.4942 6.4942 6.4952 6.4952 k = 0.1912 0.4714-0.0000 ( 7632 PWs) bands (ev): -21.7149 -21.7149 -21.7149 -21.7149 -21.2307 -21.2307 -21.2307 -21.2307 -13.1169 -13.1169 -13.1167 -13.1167 -13.0891 -13.0891 -13.0888 -13.0888 -8.5958 -8.5958 -8.5954 -8.5954 -7.9855 -7.9855 -7.9845 -7.9845 -6.7191 -6.7191 -6.7181 -6.7181 -6.3899 -6.3899 -6.3879 -6.3879 -6.1469 -6.1469 -6.1460 -6.1460 -6.0292 -6.0292 -6.0275 -6.0275 -3.9784 -3.9784 -3.9780 -3.9780 -2.9614 -2.9614 -2.9607 -2.9607 -1.8428 -1.8428 -1.8415 -1.8415 -1.4600 -1.4600 -1.4585 -1.4585 4.8689 4.8689 4.8691 4.8691 6.1931 6.1931 6.1939 6.1939 6.4944 6.4944 6.4953 6.4953 k = 0.1765 0.4714-0.0000 ( 7640 PWs) bands (ev): -21.7220 -21.7220 -21.7220 -21.7220 -21.2230 -21.2230 -21.2230 -21.2230 -13.1168 -13.1168 -13.1166 -13.1166 -13.0900 -13.0900 -13.0898 -13.0898 -8.6043 -8.6043 -8.6039 -8.6039 -7.9749 -7.9749 -7.9738 -7.9738 -6.7204 -6.7204 -6.7193 -6.7193 -6.3841 -6.3841 -6.3821 -6.3821 -6.1488 -6.1488 -6.1479 -6.1479 -6.0269 -6.0269 -6.0251 -6.0251 -3.9898 -3.9898 -3.9895 -3.9895 -2.9421 -2.9421 -2.9415 -2.9415 -1.8485 -1.8485 -1.8471 -1.8471 -1.4571 -1.4571 -1.4556 -1.4556 4.8249 4.8249 4.8251 4.8251 6.1645 6.1645 6.1652 6.1652 6.4954 6.4954 6.4962 6.4962 k = 0.1618 0.4714-0.0000 ( 7636 PWs) bands (ev): -21.7287 -21.7287 -21.7287 -21.7287 -21.2159 -21.2159 -21.2159 -21.2159 -13.1167 -13.1167 -13.1164 -13.1164 -13.0909 -13.0909 -13.0906 -13.0906 -8.6121 -8.6121 -8.6117 -8.6117 -7.9649 -7.9649 -7.9639 -7.9639 -6.7218 -6.7218 -6.7206 -6.7206 -6.3782 -6.3782 -6.3762 -6.3762 -6.1508 -6.1508 -6.1500 -6.1500 -6.0247 -6.0247 -6.0229 -6.0229 -4.0003 -4.0003 -3.9999 -3.9999 -2.9241 -2.9241 -2.9235 -2.9235 -1.8538 -1.8538 -1.8524 -1.8524 -1.4544 -1.4544 -1.4530 -1.4530 4.7837 4.7837 4.7839 4.7839 6.1359 6.1359 6.1365 6.1365 6.4967 6.4967 6.4974 6.4974 k = 0.1471 0.4714-0.0000 ( 7640 PWs) bands (ev): -21.7348 -21.7348 -21.7348 -21.7348 -21.2094 -21.2094 -21.2094 -21.2094 -13.1166 -13.1166 -13.1163 -13.1163 -13.0917 -13.0917 -13.0915 -13.0915 -8.6193 -8.6193 -8.6190 -8.6190 -7.9556 -7.9556 -7.9546 -7.9546 -6.7230 -6.7230 -6.7218 -6.7218 -6.3724 -6.3724 -6.3704 -6.3704 -6.1529 -6.1529 -6.1521 -6.1521 -6.0227 -6.0227 -6.0210 -6.0210 -4.0098 -4.0098 -4.0095 -4.0095 -2.9074 -2.9074 -2.9068 -2.9068 -1.8587 -1.8587 -1.8573 -1.8573 -1.4521 -1.4521 -1.4506 -1.4506 4.7456 4.7456 4.7458 4.7458 6.1080 6.1080 6.1086 6.1086 6.4981 6.4981 6.4987 6.4987 k = 0.1324 0.4714-0.0000 ( 7648 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -21.2034 -21.2034 -21.2034 -21.2034 -13.1165 -13.1165 -13.1162 -13.1162 -13.0925 -13.0925 -13.0923 -13.0923 -8.6259 -8.6259 -8.6256 -8.6256 -7.9472 -7.9472 -7.9461 -7.9461 -6.7243 -6.7243 -6.7230 -6.7230 -6.3666 -6.3666 -6.3647 -6.3647 -6.1551 -6.1551 -6.1543 -6.1543 -6.0209 -6.0209 -6.0192 -6.0192 -4.0184 -4.0184 -4.0180 -4.0180 -2.8921 -2.8921 -2.8915 -2.8915 -1.8632 -1.8632 -1.8618 -1.8618 -1.4499 -1.4499 -1.4484 -1.4484 4.7107 4.7107 4.7109 4.7109 6.0814 6.0814 6.0819 6.0819 6.4994 6.4994 6.5000 6.5000 k = 0.1176 0.4714-0.0000 ( 7648 PWs) bands (ev): -21.7453 -21.7453 -21.7453 -21.7453 -21.1980 -21.1980 -21.1980 -21.1980 -13.1164 -13.1164 -13.1161 -13.1161 -13.0932 -13.0932 -13.0930 -13.0930 -8.6319 -8.6319 -8.6316 -8.6316 -7.9395 -7.9395 -7.9384 -7.9384 -6.7255 -6.7255 -6.7241 -6.7241 -6.3611 -6.3611 -6.3592 -6.3592 -6.1572 -6.1572 -6.1565 -6.1565 -6.0192 -6.0192 -6.0176 -6.0176 -4.0260 -4.0260 -4.0256 -4.0256 -2.8782 -2.8782 -2.8777 -2.8777 -1.8673 -1.8673 -1.8658 -1.8658 -1.4480 -1.4480 -1.4465 -1.4465 4.6791 4.6791 4.6792 4.6792 6.0567 6.0567 6.0571 6.0571 6.5005 6.5005 6.5011 6.5011 k = 0.1029 0.4714-0.0000 ( 7644 PWs) bands (ev): -21.7497 -21.7497 -21.7497 -21.7497 -21.1932 -21.1932 -21.1932 -21.1932 -13.1162 -13.1162 -13.1160 -13.1160 -13.0939 -13.0939 -13.0936 -13.0936 -8.6372 -8.6372 -8.6370 -8.6370 -7.9326 -7.9326 -7.9316 -7.9316 -6.7265 -6.7265 -6.7251 -6.7251 -6.3559 -6.3559 -6.3541 -6.3541 -6.1593 -6.1593 -6.1586 -6.1586 -6.0178 -6.0178 -6.0162 -6.0162 -4.0326 -4.0326 -4.0323 -4.0323 -2.8658 -2.8658 -2.8654 -2.8654 -1.8709 -1.8709 -1.8695 -1.8695 -1.4463 -1.4463 -1.4448 -1.4448 4.6509 4.6509 4.6510 4.6510 6.0340 6.0340 6.0344 6.0344 6.5014 6.5014 6.5019 6.5019 k = 0.0882 0.4714-0.0000 ( 7636 PWs) bands (ev): -21.7536 -21.7536 -21.7536 -21.7536 -21.1890 -21.1890 -21.1890 -21.1890 -13.1162 -13.1162 -13.1159 -13.1159 -13.0944 -13.0944 -13.0942 -13.0942 -8.6418 -8.6418 -8.6416 -8.6416 -7.9266 -7.9266 -7.9255 -7.9255 -6.7275 -6.7275 -6.7260 -6.7260 -6.3511 -6.3511 -6.3493 -6.3493 -6.1613 -6.1613 -6.1607 -6.1607 -6.0166 -6.0166 -6.0149 -6.0149 -4.0383 -4.0383 -4.0381 -4.0381 -2.8550 -2.8550 -2.8546 -2.8546 -1.8741 -1.8741 -1.8726 -1.8726 -1.4449 -1.4449 -1.4433 -1.4433 4.6262 4.6262 4.6263 4.6263 6.0139 6.0139 6.0142 6.0142 6.5021 6.5021 6.5025 6.5025 k = 0.0735 0.4714-0.0000 ( 7632 PWs) bands (ev): -21.7568 -21.7568 -21.7568 -21.7568 -21.1855 -21.1855 -21.1855 -21.1855 -13.1161 -13.1161 -13.1158 -13.1158 -13.0949 -13.0949 -13.0946 -13.0946 -8.6457 -8.6457 -8.6456 -8.6456 -7.9214 -7.9214 -7.9204 -7.9204 -6.7283 -6.7283 -6.7268 -6.7268 -6.3469 -6.3469 -6.3451 -6.3451 -6.1632 -6.1632 -6.1626 -6.1626 -6.0155 -6.0155 -6.0139 -6.0139 -4.0432 -4.0432 -4.0429 -4.0429 -2.8457 -2.8457 -2.8454 -2.8454 -1.8768 -1.8768 -1.8753 -1.8753 -1.4436 -1.4436 -1.4421 -1.4421 4.6052 4.6052 4.6053 4.6053 5.9964 5.9964 5.9967 5.9967 6.5025 6.5025 6.5030 6.5030 k = 0.0588 0.4714-0.0000 ( 7628 PWs) bands (ev): -21.7595 -21.7595 -21.7595 -21.7595 -21.1826 -21.1826 -21.1826 -21.1826 -13.1160 -13.1160 -13.1157 -13.1157 -13.0953 -13.0953 -13.0951 -13.0951 -8.6490 -8.6490 -8.6488 -8.6488 -7.9172 -7.9172 -7.9162 -7.9162 -6.7290 -6.7290 -6.7275 -6.7275 -6.3432 -6.3432 -6.3415 -6.3415 -6.1648 -6.1648 -6.1643 -6.1643 -6.0147 -6.0147 -6.0131 -6.0131 -4.0471 -4.0471 -4.0469 -4.0469 -2.8381 -2.8381 -2.8378 -2.8378 -1.8790 -1.8790 -1.8775 -1.8775 -1.4426 -1.4426 -1.4411 -1.4411 4.5879 4.5879 4.5880 4.5880 5.9819 5.9819 5.9821 5.9821 6.5029 6.5029 6.5033 6.5033 k = 0.0441 0.4714-0.0000 ( 7638 PWs) bands (ev): -21.7616 -21.7616 -21.7616 -21.7616 -21.1803 -21.1803 -21.1803 -21.1803 -13.1160 -13.1160 -13.1157 -13.1157 -13.0957 -13.0957 -13.0954 -13.0954 -8.6515 -8.6515 -8.6514 -8.6514 -7.9139 -7.9139 -7.9129 -7.9129 -6.7296 -6.7296 -6.7281 -6.7281 -6.3403 -6.3403 -6.3386 -6.3386 -6.1662 -6.1662 -6.1657 -6.1657 -6.0140 -6.0140 -6.0124 -6.0124 -4.0502 -4.0502 -4.0499 -4.0499 -2.8322 -2.8322 -2.8319 -2.8319 -1.8807 -1.8807 -1.8792 -1.8792 -1.4419 -1.4419 -1.4404 -1.4404 4.5744 4.5744 4.5745 4.5745 5.9704 5.9704 5.9706 5.9706 6.5030 6.5030 6.5034 6.5034 k = 0.0294 0.4714-0.0000 ( 7638 PWs) bands (ev): -21.7631 -21.7631 -21.7631 -21.7631 -21.1787 -21.1787 -21.1787 -21.1787 -13.1159 -13.1159 -13.1156 -13.1156 -13.0959 -13.0959 -13.0956 -13.0956 -8.6533 -8.6533 -8.6532 -8.6532 -7.9115 -7.9115 -7.9105 -7.9105 -6.7300 -6.7300 -6.7284 -6.7284 -6.3381 -6.3381 -6.3364 -6.3364 -6.1672 -6.1672 -6.1667 -6.1667 -6.0136 -6.0136 -6.0120 -6.0120 -4.0524 -4.0524 -4.0521 -4.0521 -2.8279 -2.8279 -2.8277 -2.8277 -1.8820 -1.8820 -1.8805 -1.8805 -1.4413 -1.4413 -1.4398 -1.4398 4.5647 4.5647 4.5647 4.5647 5.9622 5.9622 5.9623 5.9623 6.5031 6.5031 6.5035 6.5035 k = 0.0147 0.4714-0.0000 ( 7646 PWs) bands (ev): -21.7640 -21.7640 -21.7640 -21.7640 -21.1777 -21.1777 -21.1777 -21.1777 -13.1159 -13.1159 -13.1156 -13.1156 -13.0961 -13.0961 -13.0958 -13.0958 -8.6544 -8.6544 -8.6543 -8.6543 -7.9101 -7.9101 -7.9091 -7.9091 -6.7303 -6.7303 -6.7287 -6.7287 -6.3367 -6.3367 -6.3351 -6.3351 -6.1678 -6.1678 -6.1674 -6.1674 -6.0133 -6.0133 -6.0117 -6.0117 -4.0537 -4.0537 -4.0534 -4.0534 -2.8253 -2.8253 -2.8251 -2.8251 -1.8828 -1.8828 -1.8812 -1.8812 -1.4410 -1.4410 -1.4395 -1.4395 4.5589 4.5589 4.5589 4.5589 5.9572 5.9572 5.9573 5.9573 6.5032 6.5032 6.5036 6.5036 k = 0.0000 0.4714-0.0000 ( 7636 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1159 -13.1159 -13.1156 -13.1156 -13.0961 -13.0961 -13.0958 -13.0958 -8.6547 -8.6547 -8.6547 -8.6547 -7.9096 -7.9096 -7.9086 -7.9086 -6.7303 -6.7303 -6.7288 -6.7288 -6.3363 -6.3363 -6.3347 -6.3347 -6.1680 -6.1680 -6.1676 -6.1676 -6.0132 -6.0132 -6.0116 -6.0116 -4.0541 -4.0541 -4.0538 -4.0538 -2.8245 -2.8245 -2.8243 -2.8243 -1.8830 -1.8830 -1.8815 -1.8815 -1.4409 -1.4409 -1.4394 -1.4394 4.5569 4.5569 4.5569 4.5569 5.9555 5.9555 5.9556 5.9556 6.5032 6.5032 6.5036 6.5036 k = 0.0000 0.4714-0.0000 ( 7636 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1159 -13.1159 -13.1156 -13.1156 -13.0961 -13.0961 -13.0958 -13.0958 -8.6547 -8.6547 -8.6547 -8.6547 -7.9096 -7.9096 -7.9086 -7.9086 -6.7303 -6.7303 -6.7288 -6.7288 -6.3363 -6.3363 -6.3347 -6.3347 -6.1680 -6.1680 -6.1676 -6.1676 -6.0132 -6.0132 -6.0116 -6.0116 -4.0541 -4.0541 -4.0538 -4.0538 -2.8245 -2.8245 -2.8243 -2.8243 -1.8830 -1.8830 -1.8815 -1.8815 -1.4409 -1.4409 -1.4394 -1.4394 4.5569 4.5569 4.5569 4.5569 5.9555 5.9555 5.9556 5.9556 6.5032 6.5032 6.5036 6.5036 k = 0.0000 0.4567-0.0000 ( 7634 PWs) bands (ev): -21.7650 -21.7650 -21.7637 -21.7637 -21.1778 -21.1778 -21.1769 -21.1769 -13.1165 -13.1162 -13.1151 -13.1149 -13.1044 -13.1041 -13.0874 -13.0871 -8.6562 -8.6562 -8.6532 -8.6532 -7.9146 -7.9135 -7.9053 -7.9044 -6.7339 -6.7322 -6.7260 -6.7246 -6.3468 -6.3452 -6.3257 -6.3240 -6.1783 -6.1778 -6.1573 -6.1570 -6.0190 -6.0174 -6.0079 -6.0063 -4.0552 -4.0549 -4.0533 -4.0530 -2.8287 -2.8286 -2.8209 -2.8206 -1.8971 -1.8956 -1.8699 -1.8684 -1.4451 -1.4436 -1.4375 -1.4360 4.5220 4.5220 4.5945 4.5945 5.9100 5.9101 6.0010 6.0011 6.5038 6.5042 6.5078 6.5082 k = 0.0000 0.4420-0.0000 ( 7638 PWs) bands (ev): -21.7657 -21.7657 -21.7631 -21.7631 -21.1783 -21.1783 -21.1765 -21.1765 -13.1173 -13.1172 -13.1142 -13.1139 -13.1117 -13.1116 -13.0784 -13.0781 -8.6577 -8.6576 -8.6518 -8.6517 -7.9201 -7.9190 -7.9017 -7.9009 -6.7368 -6.7349 -6.7208 -6.7197 -6.3572 -6.3556 -6.3150 -6.3134 -6.1883 -6.1877 -6.1462 -6.1460 -6.0253 -6.0238 -6.0030 -6.0015 -4.0565 -4.0562 -4.0527 -4.0525 -2.8336 -2.8335 -2.8181 -2.8176 -1.9122 -1.9108 -1.8579 -1.8563 -1.4502 -1.4486 -1.4350 -1.4335 4.4899 4.4899 4.6346 4.6346 5.8654 5.8655 6.0448 6.0449 6.5108 6.5111 6.5167 6.5171 k = 0.0000 0.4272-0.0000 ( 7630 PWs) bands (ev): -21.7665 -21.7665 -21.7626 -21.7626 -21.1787 -21.1787 -21.1761 -21.1761 -13.1216 -13.1214 -13.1152 -13.1150 -13.1129 -13.1127 -13.0691 -13.0688 -8.6592 -8.6591 -8.6503 -8.6502 -7.9262 -7.9250 -7.8990 -7.8983 -6.7390 -6.7369 -6.7149 -6.7139 -6.3674 -6.3657 -6.3045 -6.3028 -6.1979 -6.1971 -6.1347 -6.1346 -6.0322 -6.0306 -5.9986 -5.9970 -4.0581 -4.0578 -4.0524 -4.0522 -2.8392 -2.8390 -2.8158 -2.8153 -1.9281 -1.9269 -1.8470 -1.8453 -1.4560 -1.4545 -1.4332 -1.4318 4.4608 4.4608 4.6767 4.6767 5.8229 5.8230 6.0854 6.0854 6.5256 6.5260 6.5291 6.5294 k = 0.0000 0.4125-0.0000 ( 7630 PWs) bands (ev): -21.7674 -21.7674 -21.7621 -21.7621 -21.1792 -21.1792 -21.1757 -21.1757 -13.1286 -13.1283 -13.1154 -13.1151 -13.1115 -13.1112 -13.0595 -13.0592 -8.6607 -8.6605 -8.6488 -8.6486 -7.9328 -7.9315 -7.8971 -7.8965 -6.7406 -6.7384 -6.7081 -6.7074 -6.3773 -6.3756 -6.2941 -6.2924 -6.2071 -6.2063 -6.1229 -6.1229 -6.0396 -6.0381 -5.9945 -5.9929 -4.0599 -4.0597 -4.0524 -4.0522 -2.8454 -2.8451 -2.8143 -2.8137 -1.9450 -1.9438 -1.8372 -1.8354 -1.4627 -1.4611 -1.4323 -1.4309 4.4348 4.4348 4.7203 4.7204 5.7833 5.7834 6.1209 6.1209 6.5442 6.5445 6.5498 6.5501 k = 0.0000 0.3978-0.0000 ( 7616 PWs) bands (ev): -21.7682 -21.7682 -21.7617 -21.7617 -21.1796 -21.1796 -21.1753 -21.1753 -13.1355 -13.1352 -13.1150 -13.1147 -13.1098 -13.1095 -13.0497 -13.0494 -8.6621 -8.6619 -8.6473 -8.6471 -7.9398 -7.9384 -7.8960 -7.8955 -6.7416 -6.7392 -6.7005 -6.7000 -6.3868 -6.3852 -6.2839 -6.2822 -6.2160 -6.2150 -6.1108 -6.1108 -6.0476 -6.0460 -5.9907 -5.9892 -4.0621 -4.0618 -4.0525 -4.0523 -2.8522 -2.8518 -2.8135 -2.8127 -1.9626 -1.9615 -1.8284 -1.8266 -1.4700 -1.4684 -1.4322 -1.4307 4.4118 4.4119 4.7650 4.7651 5.7474 5.7475 6.1501 6.1501 6.5616 6.5620 6.5842 6.5845 k = 0.0000 0.3830-0.0000 ( 7612 PWs) bands (ev): -21.7692 -21.7692 -21.7614 -21.7614 -21.1800 -21.1800 -21.1749 -21.1749 -13.1422 -13.1419 -13.1143 -13.1140 -13.1079 -13.1076 -13.0397 -13.0394 -8.6636 -8.6634 -8.6457 -8.6455 -7.9470 -7.9456 -7.8959 -7.8955 -6.7420 -6.7395 -6.6921 -6.6917 -6.3960 -6.3943 -6.2740 -6.2723 -6.2246 -6.2235 -6.0985 -6.0984 -6.0562 -6.0546 -5.9871 -5.9857 -4.0644 -4.0642 -4.0529 -4.0527 -2.8595 -2.8591 -2.8133 -2.8125 -1.9808 -1.9798 -1.8207 -1.8188 -1.4780 -1.4764 -1.4328 -1.4314 4.3920 4.3920 4.8099 4.8099 5.7162 5.7163 6.1723 6.1723 6.5806 6.5809 6.6291 6.6293 k = 0.0000 0.3683-0.0000 ( 7616 PWs) bands (ev): -21.7701 -21.7701 -21.7611 -21.7611 -21.1805 -21.1805 -21.1745 -21.1745 -13.1485 -13.1482 -13.1133 -13.1130 -13.1057 -13.1055 -13.0296 -13.0293 -8.6651 -8.6648 -8.6442 -8.6439 -7.9545 -7.9530 -7.8966 -7.8963 -6.7419 -6.7393 -6.6829 -6.6827 -6.4047 -6.4030 -6.2645 -6.2628 -6.2328 -6.2317 -6.0860 -6.0859 -6.0653 -6.0637 -5.9838 -5.9824 -4.0671 -4.0668 -4.0534 -4.0533 -2.8675 -2.8669 -2.8137 -2.8128 -1.9997 -1.9987 -1.8140 -1.8121 -1.4865 -1.4850 -1.4341 -1.4327 4.3752 4.3753 4.8540 4.8540 5.6907 5.6908 6.1879 6.1880 6.6004 6.6007 6.6837 6.6839 k = 0.0000 0.3536-0.0000 ( 7610 PWs) bands (ev): -21.7711 -21.7711 -21.7608 -21.7608 -21.1809 -21.1809 -21.1741 -21.1741 -13.1545 -13.1542 -13.1121 -13.1119 -13.1034 -13.1032 -13.0194 -13.0191 -8.6665 -8.6662 -8.6427 -8.6424 -7.9621 -7.9606 -7.8982 -7.8980 -6.7413 -6.7387 -6.6729 -6.6728 -6.4130 -6.4113 -6.2555 -6.2538 -6.2408 -6.2396 -6.0750 -6.0734 -6.0733 -6.0731 -5.9805 -5.9791 -4.0700 -4.0697 -4.0542 -4.0540 -2.8759 -2.8753 -2.8148 -2.8138 -2.0190 -2.0181 -1.8083 -1.8063 -1.4956 -1.4941 -1.4360 -1.4346 4.3615 4.3615 4.8959 4.8960 5.6722 5.6723 6.1978 6.1979 6.6202 6.6206 6.7467 6.7469 k = 0.0000 0.3388-0.0000 ( 7604 PWs) bands (ev): -21.7721 -21.7721 -21.7606 -21.7606 -21.1814 -21.1814 -21.1737 -21.1737 -13.1601 -13.1598 -13.1108 -13.1105 -13.1009 -13.1006 -13.0091 -13.0088 -8.6679 -8.6676 -8.6411 -8.6408 -7.9697 -7.9682 -7.9006 -7.9006 -6.7402 -6.7375 -6.6623 -6.6620 -6.4208 -6.4190 -6.2493 -6.2474 -6.2469 -6.2446 -6.0851 -6.0836 -6.0605 -6.0603 -5.9773 -5.9760 -4.0731 -4.0728 -4.0551 -4.0550 -2.8848 -2.8841 -2.8164 -2.8154 -2.0386 -2.0378 -1.8034 -1.8014 -1.5051 -1.5036 -1.4384 -1.4371 4.3507 4.3507 4.9343 4.9343 5.6620 5.6620 6.2030 6.2031 6.6391 6.6394 6.8168 6.8169 k = 0.0000 0.3241-0.0000 ( 7598 PWs) bands (ev): -21.7732 -21.7732 -21.7605 -21.7605 -21.1818 -21.1818 -21.1733 -21.1733 -13.1653 -13.1651 -13.1093 -13.1090 -13.0982 -13.0980 -12.9987 -12.9984 -8.6694 -8.6691 -8.6395 -8.6391 -7.9773 -7.9758 -7.9039 -7.9039 -6.7387 -6.7359 -6.6509 -6.6505 -6.4281 -6.4263 -6.2565 -6.2549 -6.2390 -6.2371 -6.0958 -6.0943 -6.0477 -6.0474 -5.9741 -5.9728 -4.0764 -4.0761 -4.0562 -4.0561 -2.8941 -2.8933 -2.8186 -2.8175 -2.0583 -2.0576 -1.7995 -1.7974 -1.5150 -1.5135 -1.4414 -1.4401 4.3427 4.3427 4.9675 4.9675 5.6615 5.6616 6.2042 6.2043 6.6557 6.6560 6.8927 6.8928 k = 0.0000 0.3094-0.0000 ( 7596 PWs) bands (ev): -21.7742 -21.7742 -21.7604 -21.7604 -21.1822 -21.1822 -21.1730 -21.1730 -13.1702 -13.1700 -13.1076 -13.1074 -13.0954 -13.0951 -12.9884 -12.9881 -8.6708 -8.6705 -8.6379 -8.6375 -7.9849 -7.9834 -7.9080 -7.9079 -6.7367 -6.7338 -6.6390 -6.6384 -6.4348 -6.4330 -6.2640 -6.2623 -6.2318 -6.2299 -6.1069 -6.1055 -6.0350 -6.0346 -5.9708 -5.9695 -4.0799 -4.0797 -4.0574 -4.0573 -2.9038 -2.9029 -2.8214 -2.8202 -2.0782 -2.0776 -1.7963 -1.7942 -1.5251 -1.5236 -1.4448 -1.4435 4.3375 4.3375 4.9941 4.9942 5.6719 5.6720 6.2019 6.2021 6.6688 6.6691 6.9733 6.9733 k = 0.0000 0.2946-0.0000 ( 7596 PWs) bands (ev): -21.7753 -21.7753 -21.7604 -21.7604 -21.1826 -21.1826 -21.1726 -21.1726 -13.1748 -13.1745 -13.1058 -13.1056 -13.0924 -13.0922 -12.9780 -12.9778 -8.6722 -8.6719 -8.6363 -8.6359 -7.9923 -7.9908 -7.9129 -7.9127 -6.7342 -6.7313 -6.6264 -6.6257 -6.4411 -6.4393 -6.2715 -6.2697 -6.2253 -6.2234 -6.1184 -6.1170 -6.0223 -6.0220 -5.9673 -5.9661 -4.0836 -4.0834 -4.0587 -4.0586 -2.9138 -2.9129 -2.8246 -2.8234 -2.0980 -2.0974 -1.7938 -1.7917 -1.5354 -1.5339 -1.4485 -1.4473 4.3348 4.3348 5.0134 5.0135 5.6937 5.6938 6.1967 6.1969 6.6770 6.6773 7.0577 7.0578 k = 0.0000 0.2799-0.0000 ( 7596 PWs) bands (ev): -21.7763 -21.7763 -21.7604 -21.7604 -21.1830 -21.1830 -21.1723 -21.1723 -13.1790 -13.1788 -13.1039 -13.1037 -13.0894 -13.0892 -12.9678 -12.9675 -8.6736 -8.6733 -8.6346 -8.6342 -7.9995 -7.9981 -7.9183 -7.9180 -6.7313 -6.7284 -6.6133 -6.6124 -6.4468 -6.4450 -6.2789 -6.2770 -6.2195 -6.2176 -6.1302 -6.1288 -6.0099 -6.0095 -5.9635 -5.9624 -4.0875 -4.0872 -4.0601 -4.0601 -2.9241 -2.9231 -2.8282 -2.8270 -2.1176 -2.1171 -1.7920 -1.7899 -1.5457 -1.5443 -1.4525 -1.4513 4.3346 4.3346 5.0253 5.0254 5.7268 5.7269 6.1888 6.1890 6.6792 6.6795 7.1453 7.1454 k = 0.0000 0.2652-0.0000 ( 7600 PWs) bands (ev): -21.7774 -21.7774 -21.7604 -21.7604 -21.1834 -21.1834 -21.1720 -21.1720 -13.1829 -13.1826 -13.1019 -13.1017 -13.0863 -13.0860 -12.9577 -12.9575 -8.6750 -8.6746 -8.6330 -8.6325 -8.0065 -8.0051 -7.9243 -7.9240 -6.7279 -6.7250 -6.5999 -6.5988 -6.4520 -6.4503 -6.2863 -6.2843 -6.2146 -6.2127 -6.1423 -6.1409 -5.9979 -5.9974 -5.9594 -5.9584 -4.0915 -4.0913 -4.0616 -4.0616 -2.9346 -2.9336 -2.8323 -2.8310 -2.1370 -2.1365 -1.7907 -1.7887 -1.5561 -1.5547 -1.4567 -1.4556 4.3366 4.3366 5.0306 5.0307 5.7698 5.7700 6.1783 6.1785 6.6750 6.6752 7.2354 7.2355 k = 0.0000 0.2504-0.0000 ( 7592 PWs) bands (ev): -21.7784 -21.7784 -21.7605 -21.7605 -21.1838 -21.1838 -21.1717 -21.1717 -13.1864 -13.1862 -13.0999 -13.0997 -13.0831 -13.0829 -12.9478 -12.9476 -8.6763 -8.6760 -8.6313 -8.6308 -8.0132 -8.0118 -7.9308 -7.9304 -6.7240 -6.7210 -6.5860 -6.5849 -6.4569 -6.4551 -6.2937 -6.2918 -6.2104 -6.2086 -6.1545 -6.1531 -5.9863 -5.9857 -5.9550 -5.9539 -4.0956 -4.0954 -4.0631 -4.0631 -2.9451 -2.9441 -2.8366 -2.8353 -2.1559 -2.1555 -1.7899 -1.7880 -1.5663 -1.5649 -1.4610 -1.4599 4.3407 4.3407 5.0305 5.0306 5.8212 5.8214 6.1655 6.1657 6.6645 6.6647 7.3274 7.3274 k = 0.0000 0.2357-0.0000 ( 7588 PWs) bands (ev): -21.7795 -21.7795 -21.7605 -21.7605 -21.1842 -21.1842 -21.1714 -21.1714 -13.1897 -13.1895 -13.0979 -13.0976 -13.0799 -13.0797 -12.9382 -12.9379 -8.6776 -8.6773 -8.6296 -8.6291 -8.0196 -8.0182 -7.9376 -7.9371 -6.7195 -6.7166 -6.5720 -6.5707 -6.4613 -6.4596 -6.3013 -6.2993 -6.2072 -6.2054 -6.1667 -6.1653 -5.9752 -5.9746 -5.9501 -5.9491 -4.0998 -4.0995 -4.0647 -4.0647 -2.9558 -2.9547 -2.8412 -2.8399 -2.1743 -2.1740 -1.7896 -1.7876 -1.5763 -1.5750 -1.4654 -1.4643 4.3468 4.3468 5.0264 5.0264 5.8790 5.8792 6.1505 6.1507 6.6488 6.6490 7.4205 7.4205 k = 0.0000 0.2210-0.0000 ( 7584 PWs) bands (ev): -21.7805 -21.7805 -21.7606 -21.7606 -21.1845 -21.1845 -21.1712 -21.1712 -13.1926 -13.1924 -13.0958 -13.0956 -13.0767 -13.0765 -12.9288 -12.9286 -8.6789 -8.6786 -8.6279 -8.6274 -8.0256 -8.0242 -7.9447 -7.9442 -6.7146 -6.7117 -6.5579 -6.5565 -6.4655 -6.4638 -6.3090 -6.3069 -6.2047 -6.2029 -6.1788 -6.1775 -5.9650 -5.9642 -5.9447 -5.9437 -4.1040 -4.1037 -4.0662 -4.0662 -2.9664 -2.9653 -2.8460 -2.8447 -2.1920 -2.1918 -1.7896 -1.7877 -1.5861 -1.5848 -1.4698 -1.4688 4.3545 4.3545 5.0194 5.0195 5.9412 5.9413 6.1336 6.1338 6.6296 6.6297 7.4521 7.4521 k = 0.0000 0.2063-0.0000 ( 7592 PWs) bands (ev): -21.7814 -21.7814 -21.7608 -21.7608 -21.1849 -21.1849 -21.1709 -21.1709 -13.1953 -13.1952 -13.0937 -13.0935 -13.0736 -13.0734 -12.9198 -12.9195 -8.6802 -8.6799 -8.6262 -8.6257 -8.0312 -8.0299 -7.9520 -7.9515 -6.7091 -6.7062 -6.5437 -6.5423 -6.4694 -6.4678 -6.3167 -6.3147 -6.2031 -6.2013 -6.1907 -6.1893 -5.9556 -5.9548 -5.9387 -5.9376 -4.1082 -4.1080 -4.0678 -4.0678 -2.9770 -2.9759 -2.8509 -2.8497 -2.2091 -2.2088 -1.7899 -1.7881 -1.5955 -1.5943 -1.4741 -1.4731 4.3636 4.3637 5.0107 5.0108 6.0057 6.0058 6.1150 6.1152 6.6089 6.6091 7.4828 7.4829 k = 0.0000 0.1915-0.0000 ( 7602 PWs) bands (ev): -21.7824 -21.7824 -21.7609 -21.7609 -21.1852 -21.1852 -21.1707 -21.1707 -13.1978 -13.1976 -13.0917 -13.0915 -13.0705 -13.0703 -12.9111 -12.9109 -8.6814 -8.6811 -8.6246 -8.6241 -8.0364 -8.0352 -7.9593 -7.9588 -6.7030 -6.7002 -6.5297 -6.5282 -6.4732 -6.4717 -6.3247 -6.3226 -6.2032 -6.2023 -6.2004 -6.2000 -5.9472 -5.9463 -5.9321 -5.9310 -4.1123 -4.1121 -4.0693 -4.0693 -2.9873 -2.9862 -2.8559 -2.8547 -2.2253 -2.2251 -1.7905 -1.7887 -1.6045 -1.6033 -1.4783 -1.4774 4.3741 4.3741 5.0010 5.0011 6.0701 6.0702 6.0950 6.0951 6.5894 6.5895 7.5190 7.5191 k = 0.0000 0.1768-0.0000 ( 7602 PWs) bands (ev): -21.7833 -21.7833 -21.7611 -21.7611 -21.1855 -21.1855 -21.1705 -21.1705 -13.1999 -13.1998 -13.0897 -13.0895 -13.0675 -13.0673 -12.9029 -12.9026 -8.6826 -8.6823 -8.6229 -8.6224 -8.0412 -8.0401 -7.9667 -7.9661 -6.6963 -6.6935 -6.5159 -6.5144 -6.4770 -6.4757 -6.3326 -6.3307 -6.2133 -6.2124 -6.2016 -6.2003 -5.9398 -5.9388 -5.9250 -5.9239 -4.1164 -4.1162 -4.0708 -4.0708 -2.9973 -2.9963 -2.8609 -2.8597 -2.2406 -2.2404 -1.7912 -1.7895 -1.6130 -1.6119 -1.4824 -1.4815 4.3854 4.3855 4.9909 4.9910 6.0738 6.0740 6.1315 6.1316 6.5739 6.5741 7.5592 7.5592 k = 0.0000 0.1621-0.0000 ( 7608 PWs) bands (ev): -21.7841 -21.7841 -21.7612 -21.7612 -21.1858 -21.1858 -21.1703 -21.1703 -13.2019 -13.2018 -13.0878 -13.0877 -13.0646 -13.0645 -12.8951 -12.8949 -8.6838 -8.6835 -8.6213 -8.6208 -8.0456 -8.0446 -7.9739 -7.9733 -6.6891 -6.6863 -6.5024 -6.5009 -6.4810 -6.4798 -6.3406 -6.3387 -6.2238 -6.2228 -6.2021 -6.2007 -5.9331 -5.9321 -5.9178 -5.9167 -4.1204 -4.1202 -4.0722 -4.0722 -3.0070 -3.0060 -2.8658 -2.8647 -2.2549 -2.2548 -1.7920 -1.7905 -1.6210 -1.6200 -1.4862 -1.4854 4.3975 4.3976 4.9809 4.9809 6.0520 6.0522 6.1858 6.1859 6.5666 6.5668 7.6018 7.6019 k = 0.0000 0.1473-0.0000 ( 7611 PWs) bands (ev): -21.7849 -21.7849 -21.7614 -21.7614 -21.1860 -21.1860 -21.1701 -21.1701 -13.2036 -13.2035 -13.0860 -13.0858 -13.0619 -13.0618 -12.8878 -12.8876 -8.6848 -8.6846 -8.6198 -8.6193 -8.0496 -8.0486 -7.9808 -7.9803 -6.6812 -6.6785 -6.4894 -6.4879 -6.4852 -6.4843 -6.3484 -6.3466 -6.2336 -6.2326 -6.2030 -6.2017 -5.9269 -5.9259 -5.9108 -5.9098 -4.1242 -4.1240 -4.0735 -4.0735 -3.0162 -3.0152 -2.8706 -2.8695 -2.2681 -2.2681 -1.7929 -1.7915 -1.6285 -1.6275 -1.4898 -1.4891 4.4101 4.4101 4.9712 4.9713 6.0300 6.0302 6.2281 6.2282 6.5723 6.5724 7.6459 7.6459 k = 0.0000 0.1326-0.0000 ( 7613 PWs) bands (ev): -21.7857 -21.7857 -21.7615 -21.7615 -21.1863 -21.1863 -21.1700 -21.1700 -13.2051 -13.2050 -13.0843 -13.0842 -13.0594 -13.0592 -12.8811 -12.8809 -8.6858 -8.6856 -8.6183 -8.6178 -8.0532 -8.0523 -7.9875 -7.9870 -6.6727 -6.6700 -6.4902 -6.4895 -6.4769 -6.4755 -6.3558 -6.3543 -6.2426 -6.2417 -6.2044 -6.2032 -5.9211 -5.9200 -5.9043 -5.9033 -4.1278 -4.1276 -4.0748 -4.0747 -3.0248 -3.0239 -2.8751 -2.8741 -2.2803 -2.2803 -1.7939 -1.7925 -1.6353 -1.6344 -1.4932 -1.4925 4.4227 4.4228 4.9621 4.9622 6.0082 6.0083 6.2545 6.2546 6.5943 6.5944 7.6900 7.6901 k = 0.0000 0.1179-0.0000 ( 7625 PWs) bands (ev): -21.7864 -21.7864 -21.7617 -21.7617 -21.1865 -21.1865 -21.1698 -21.1698 -13.2064 -13.2063 -13.0827 -13.0826 -13.0570 -13.0569 -12.8750 -12.8748 -8.6867 -8.6865 -8.6169 -8.6165 -8.0564 -8.0556 -7.9937 -7.9932 -6.6637 -6.6610 -6.4958 -6.4954 -6.4653 -6.4638 -6.3628 -6.3614 -6.2508 -6.2499 -6.2061 -6.2049 -5.9156 -5.9146 -5.8984 -5.8974 -4.1311 -4.1309 -4.0759 -4.0759 -3.0328 -3.0320 -2.8793 -2.8784 -2.2913 -2.2913 -1.7948 -1.7936 -1.6415 -1.6407 -1.4962 -1.4956 4.4352 4.4353 4.9538 4.9538 5.9870 5.9871 6.2655 6.2656 6.6318 6.6318 7.7332 7.7333 k = 0.0000 0.1031-0.0000 ( 7625 PWs) bands (ev): -21.7870 -21.7870 -21.7618 -21.7618 -21.1867 -21.1867 -21.1697 -21.1697 -13.2075 -13.2075 -13.0813 -13.0812 -13.0549 -13.0548 -12.8695 -12.8694 -8.6876 -8.6874 -8.6156 -8.6152 -8.0591 -8.0584 -7.9994 -7.9990 -6.6540 -6.6514 -6.5022 -6.5022 -6.4544 -6.4531 -6.3690 -6.3679 -6.2581 -6.2572 -6.2081 -6.2070 -5.9105 -5.9095 -5.8932 -5.8923 -4.1341 -4.1340 -4.0769 -4.0769 -3.0400 -3.0393 -2.8832 -2.8824 -2.3011 -2.3011 -1.7957 -1.7947 -1.6470 -1.6463 -1.4989 -1.4984 4.4473 4.4473 4.9463 4.9463 5.9669 5.9670 6.2656 6.2656 6.6795 6.6795 7.7743 7.7744 k = 0.0000 0.0884-0.0000 ( 7631 PWs) bands (ev): -21.7875 -21.7875 -21.7620 -21.7620 -21.1869 -21.1869 -21.1696 -21.1696 -13.2085 -13.2084 -13.0800 -13.0799 -13.0530 -13.0529 -12.8647 -12.8645 -8.6883 -8.6882 -8.6144 -8.6141 -8.0615 -8.0608 -8.0045 -8.0041 -6.6438 -6.6413 -6.5100 -6.5097 -6.4446 -6.4433 -6.3745 -6.3736 -6.2644 -6.2637 -6.2101 -6.2091 -5.9058 -5.9048 -5.8888 -5.8879 -4.1369 -4.1367 -4.0778 -4.0778 -3.0465 -3.0459 -2.8867 -2.8860 -2.3097 -2.3097 -1.7966 -1.7956 -1.6518 -1.6512 -1.5013 -1.5009 4.4585 4.4585 4.9397 4.9397 5.9484 5.9484 6.2596 6.2596 6.7316 6.7316 7.8121 7.8123 k = 0.0000 0.0737-0.0000 ( 7635 PWs) bands (ev): -21.7880 -21.7880 -21.7621 -21.7621 -21.1870 -21.1870 -21.1695 -21.1695 -13.2093 -13.2092 -13.0789 -13.0789 -13.0514 -13.0513 -12.8605 -12.8604 -8.6889 -8.6888 -8.6134 -8.6131 -8.0634 -8.0629 -8.0090 -8.0086 -6.6331 -6.6307 -6.5188 -6.5182 -6.4358 -6.4347 -6.3789 -6.3783 -6.2699 -6.2692 -6.2122 -6.2113 -5.9016 -5.9006 -5.8851 -5.8843 -4.1392 -4.1391 -4.0786 -4.0785 -3.0521 -3.0515 -2.8897 -2.8891 -2.3170 -2.3170 -1.7973 -1.7965 -1.6559 -1.6554 -1.5033 -1.5030 4.4687 4.4687 4.9341 4.9341 5.9318 5.9319 6.2511 6.2511 6.7832 6.7832 7.8457 7.8458 k = 0.0000 0.0589-0.0000 ( 7619 PWs) bands (ev): -21.7884 -21.7883 -21.7622 -21.7622 -21.1871 -21.1871 -21.1694 -21.1694 -13.2099 -13.2099 -13.0780 -13.0779 -13.0500 -13.0499 -12.8571 -12.8570 -8.6894 -8.6893 -8.6125 -8.6122 -8.0650 -8.0646 -8.0127 -8.0124 -6.6220 -6.6196 -6.5285 -6.5276 -6.4284 -6.4275 -6.3825 -6.3820 -6.2743 -6.2738 -6.2140 -6.2133 -5.8979 -5.8970 -5.8822 -5.8814 -4.1412 -4.1411 -4.0792 -4.0792 -3.0567 -3.0563 -2.8922 -2.8917 -2.3230 -2.3230 -1.7979 -1.7972 -1.6592 -1.6588 -1.5050 -1.5047 4.4774 4.4774 4.9295 4.9295 5.9177 5.9177 6.2422 6.2422 6.8308 6.8308 7.8739 7.8740 k = 0.0000 0.0442-0.0000 ( 7611 PWs) bands (ev): -21.7886 -21.7886 -21.7622 -21.7622 -21.1872 -21.1872 -21.1693 -21.1693 -13.2104 -13.2104 -13.0773 -13.0772 -13.0489 -13.0489 -12.8544 -12.8543 -8.6899 -8.6898 -8.6118 -8.6116 -8.0662 -8.0659 -8.0156 -8.0154 -6.6105 -6.6082 -6.5390 -6.5378 -6.4224 -6.4217 -6.3851 -6.3848 -6.2778 -6.2774 -6.2156 -6.2151 -5.8948 -5.8941 -5.8799 -5.8793 -4.1427 -4.1427 -4.0797 -4.0796 -3.0604 -3.0600 -2.8941 -2.8938 -2.3277 -2.3277 -1.7983 -1.7979 -1.6618 -1.6615 -1.5063 -1.5061 4.4846 4.4846 4.9259 4.9259 5.9062 5.9063 6.2344 6.2344 6.8714 6.8714 7.8961 7.8962 k = 0.0000 0.0295-0.0000 ( 7605 PWs) bands (ev): -21.7888 -21.7888 -21.7623 -21.7623 -21.1873 -21.1873 -21.1693 -21.1693 -13.2107 -13.2107 -13.0767 -13.0767 -13.0481 -13.0481 -12.8524 -12.8524 -8.6901 -8.6901 -8.6112 -8.6111 -8.0671 -8.0668 -8.0177 -8.0176 -6.5987 -6.5966 -6.5502 -6.5487 -6.4179 -6.4174 -6.3869 -6.3867 -6.2803 -6.2800 -6.2169 -6.2165 -5.8925 -5.8920 -5.8783 -5.8779 -4.1439 -4.1438 -4.0800 -4.0800 -3.0630 -3.0628 -2.8955 -2.8953 -2.3310 -2.3310 -1.7987 -1.7983 -1.6637 -1.6635 -1.5072 -1.5071 4.4898 4.4898 4.9233 4.9234 5.8979 5.8979 6.2284 6.2284 6.9024 6.9024 7.9119 7.9120 k = 0.0000 0.0147-0.0000 ( 7615 PWs) bands (ev): -21.7890 -21.7890 -21.7623 -21.7623 -21.1873 -21.1873 -21.1693 -21.1693 -13.2109 -13.2109 -13.0764 -13.0764 -13.0477 -13.0477 -12.8513 -12.8512 -8.6903 -8.6903 -8.6109 -8.6108 -8.0675 -8.0674 -8.0190 -8.0190 -6.5870 -6.5851 -6.5615 -6.5599 -6.4152 -6.4149 -6.3879 -6.3878 -6.2818 -6.2816 -6.2176 -6.2174 -5.8910 -5.8907 -5.8774 -5.8771 -4.1446 -4.1445 -4.0802 -4.0802 -3.0646 -3.0644 -2.8964 -2.8963 -2.3331 -2.3330 -1.7988 -1.7987 -1.6648 -1.6647 -1.5078 -1.5077 4.4930 4.4930 4.9218 4.9218 5.8928 5.8928 6.2246 6.2246 6.9219 6.9219 7.9213 7.9214 k = 0.0000 0.0000 0.0000 ( 7611 PWs) bands (ev): -21.7890 -21.7890 -21.7624 -21.7624 -21.1874 -21.1874 -21.1693 -21.1693 -13.2110 -13.2110 -13.0763 -13.0763 -13.0475 -13.0475 -12.8508 -12.8508 -8.6904 -8.6904 -8.6108 -8.6108 -8.0677 -8.0677 -8.0194 -8.0194 -6.5777 -6.5777 -6.5690 -6.5690 -6.4142 -6.4142 -6.3882 -6.3882 -6.2822 -6.2822 -6.2178 -6.2178 -5.8904 -5.8904 -5.8770 -5.8770 -4.1448 -4.1448 -4.0803 -4.0803 -3.0650 -3.0650 -2.8966 -2.8966 -2.3337 -2.3337 -1.7988 -1.7988 -1.6651 -1.6651 -1.5079 -1.5079 4.4941 4.4941 4.9213 4.9213 5.8910 5.8910 6.2233 6.2233 6.9285 6.9285 7.9244 7.9244 k = 0.0000 0.0000 0.0000 ( 7611 PWs) bands (ev): -21.7890 -21.7890 -21.7624 -21.7624 -21.1874 -21.1874 -21.1693 -21.1693 -13.2110 -13.2110 -13.0763 -13.0763 -13.0475 -13.0475 -12.8508 -12.8508 -8.6904 -8.6904 -8.6108 -8.6108 -8.0677 -8.0677 -8.0194 -8.0194 -6.5777 -6.5777 -6.5690 -6.5690 -6.4142 -6.4142 -6.3882 -6.3882 -6.2822 -6.2822 -6.2178 -6.2178 -5.8904 -5.8904 -5.8770 -5.8770 -4.1448 -4.1448 -4.0803 -4.0803 -3.0650 -3.0650 -2.8966 -2.8966 -2.3337 -2.3337 -1.7988 -1.7988 -1.6651 -1.6651 -1.5079 -1.5079 4.4941 4.4941 4.9213 4.9213 5.8910 5.8910 6.2233 6.2233 6.9285 6.9285 7.9244 7.9244 k = 0.0000 0.0000 0.0143 ( 7607 PWs) bands (ev): -21.7890 -21.7890 -21.7624 -21.7624 -21.1873 -21.1873 -21.1693 -21.1693 -13.2109 -13.2109 -13.0784 -13.0782 -13.0455 -13.0453 -12.8511 -12.8511 -8.6902 -8.6902 -8.6109 -8.6109 -8.0676 -8.0675 -8.0195 -8.0195 -6.5777 -6.5777 -6.5693 -6.5691 -6.4140 -6.4135 -6.3883 -6.3881 -6.2823 -6.2821 -6.2179 -6.2179 -5.8905 -5.8904 -5.8771 -5.8770 -4.1447 -4.1446 -4.0805 -4.0804 -3.0648 -3.0646 -2.8972 -2.8969 -2.3330 -2.3327 -1.8013 -1.8007 -1.6638 -1.6633 -1.5080 -1.5079 4.4949 4.4949 4.9205 4.9205 5.8919 5.8919 6.2232 6.2232 6.9295 6.9295 7.9212 7.9212 k = 0.0000 0.0000 0.0286 ( 7601 PWs) bands (ev): -21.7888 -21.7888 -21.7625 -21.7625 -21.1872 -21.1872 -21.1694 -21.1694 -13.2106 -13.2105 -13.0831 -13.0829 -13.0405 -13.0402 -12.8518 -12.8517 -8.6898 -8.6897 -8.6114 -8.6113 -8.0673 -8.0672 -8.0198 -8.0197 -6.5779 -6.5778 -6.5700 -6.5696 -6.4129 -6.4120 -6.3882 -6.3878 -6.2825 -6.2821 -6.2182 -6.2182 -5.8906 -5.8905 -5.8773 -5.8772 -4.1444 -4.1443 -4.0809 -4.0808 -3.0641 -3.0637 -2.8985 -2.8979 -2.3304 -2.3298 -1.8079 -1.8068 -1.6597 -1.6588 -1.5083 -1.5082 4.4973 4.4973 4.9180 4.9180 5.8945 5.8946 6.2229 6.2229 6.9323 6.9323 7.9114 7.9115 k = 0.0000 0.0000 0.0428 ( 7611 PWs) bands (ev): -21.7886 -21.7886 -21.7628 -21.7628 -21.1870 -21.1870 -21.1695 -21.1695 -13.2100 -13.2100 -13.0892 -13.0888 -13.0339 -13.0336 -12.8529 -12.8529 -8.6891 -8.6890 -8.6122 -8.6121 -8.0669 -8.0667 -8.0202 -8.0201 -6.5783 -6.5781 -6.5712 -6.5706 -6.4111 -6.4097 -6.3880 -6.3874 -6.2827 -6.2822 -6.2188 -6.2187 -5.8909 -5.8907 -5.8777 -5.8776 -4.1439 -4.1437 -4.0817 -4.0815 -3.0627 -3.0621 -2.9007 -2.8998 -2.3261 -2.3252 -1.8179 -1.8163 -1.6535 -1.6522 -1.5088 -1.5085 4.5012 4.5013 4.9138 4.9138 5.8988 5.8989 6.2223 6.2223 6.9371 6.9371 7.8955 7.8956 k = 0.0000 0.0000 0.0571 ( 7601 PWs) bands (ev): -21.7882 -21.7882 -21.7632 -21.7632 -21.1868 -21.1868 -21.1698 -21.1698 -13.2093 -13.2092 -13.0957 -13.0953 -13.0266 -13.0262 -12.8545 -12.8544 -8.6881 -8.6880 -8.6133 -8.6132 -8.0662 -8.0660 -8.0208 -8.0206 -6.5787 -6.5785 -6.5726 -6.5718 -6.4086 -6.4067 -6.3877 -6.3869 -6.2829 -6.2822 -6.2196 -6.2194 -5.8912 -5.8910 -5.8783 -5.8781 -4.1432 -4.1429 -4.0827 -4.0824 -3.0608 -3.0600 -2.9035 -2.9023 -2.3200 -2.3188 -1.8304 -1.8286 -1.6458 -1.6443 -1.5095 -1.5091 4.5067 4.5067 4.9081 4.9081 5.9048 5.9049 6.2212 6.2213 6.9439 6.9439 7.8739 7.8740 k = 0.0000 0.0000 0.0714 ( 7595 PWs) bands (ev): -21.7878 -21.7878 -21.7636 -21.7636 -21.1865 -21.1865 -21.1701 -21.1701 -13.2083 -13.2082 -13.1023 -13.1019 -13.0189 -13.0186 -12.8565 -12.8564 -8.6868 -8.6867 -8.6147 -8.6145 -8.0654 -8.0651 -8.0216 -8.0213 -6.5792 -6.5790 -6.5743 -6.5734 -6.4055 -6.4032 -6.3873 -6.3863 -6.2830 -6.2822 -6.2205 -6.2203 -5.8916 -5.8913 -5.8790 -5.8787 -4.1422 -4.1420 -4.0840 -4.0836 -3.0583 -3.0573 -2.9071 -2.9056 -2.3122 -2.3108 -1.8450 -1.8429 -1.6373 -1.6356 -1.5103 -1.5099 4.5137 4.5137 4.9008 4.9008 5.9123 5.9125 6.2197 6.2197 6.9528 6.9529 7.8472 7.8473 k = 0.0000 0.0000 0.0857 ( 7599 PWs) bands (ev): -21.7873 -21.7873 -21.7642 -21.7642 -21.1861 -21.1861 -21.1704 -21.1704 -13.2071 -13.2070 -13.1089 -13.1086 -13.0111 -13.0107 -12.8590 -12.8589 -8.6853 -8.6851 -8.6164 -8.6162 -8.0644 -8.0640 -8.0225 -8.0222 -6.5799 -6.5796 -6.5761 -6.5750 -6.4020 -6.3993 -6.3868 -6.3856 -6.2831 -6.2821 -6.2218 -6.2215 -5.8920 -5.8917 -5.8798 -5.8794 -4.1411 -4.1408 -4.0855 -4.0851 -3.0553 -3.0542 -2.9113 -2.9096 -2.3029 -2.3012 -1.8611 -1.8588 -1.6284 -1.6267 -1.5113 -1.5108 4.5221 4.5222 4.8920 4.8920 5.9214 5.9216 6.2175 6.2175 6.9641 6.9642 7.8161 7.8161 k = 0.0000 0.0000 0.0999 ( 7601 PWs) bands (ev): -21.7867 -21.7867 -21.7648 -21.7648 -21.1856 -21.1856 -21.1708 -21.1708 -13.2057 -13.2056 -13.1155 -13.1151 -13.0031 -13.0027 -12.8619 -12.8617 -8.6835 -8.6833 -8.6183 -8.6181 -8.0632 -8.0628 -8.0235 -8.0232 -6.5806 -6.5802 -6.5779 -6.5768 -6.3983 -6.3952 -6.3861 -6.3848 -6.2831 -6.2819 -6.2233 -6.2230 -5.8925 -5.8921 -5.8807 -5.8803 -4.1398 -4.1394 -4.0872 -4.0868 -3.0518 -3.0505 -2.9161 -2.9141 -2.2920 -2.2901 -1.8783 -1.8760 -1.6195 -1.6177 -1.5126 -1.5120 4.5319 4.5320 4.8817 4.8818 5.9319 5.9321 6.2144 6.2145 6.9778 6.9779 7.7811 7.7812 k = 0.0000 0.0000 0.1142 ( 7609 PWs) bands (ev): -21.7860 -21.7860 -21.7656 -21.7656 -21.1851 -21.1851 -21.1713 -21.1713 -13.2040 -13.2039 -13.1219 -13.1215 -12.9950 -12.9946 -12.8652 -12.8650 -8.6814 -8.6812 -8.6205 -8.6203 -8.0618 -8.0614 -8.0247 -8.0244 -6.5815 -6.5810 -6.5797 -6.5786 -6.3944 -6.3910 -6.3854 -6.3838 -6.2829 -6.2815 -6.2251 -6.2247 -5.8930 -5.8925 -5.8817 -5.8813 -4.1383 -4.1379 -4.0892 -4.0887 -3.0478 -3.0463 -2.9213 -2.9192 -2.2797 -2.2777 -1.8966 -1.8941 -1.6107 -1.6089 -1.5140 -1.5133 4.5430 4.5431 4.8702 4.8702 5.9438 5.9439 6.2103 6.2104 6.9941 6.9941 7.7430 7.7431 k = 0.0000 0.0000 0.1285 ( 7601 PWs) bands (ev): -21.7852 -21.7852 -21.7664 -21.7664 -21.1846 -21.1846 -21.1718 -21.1718 -13.2022 -13.2020 -13.1281 -13.1278 -12.9870 -12.9866 -12.8689 -12.8687 -8.6791 -8.6789 -8.6229 -8.6226 -8.0603 -8.0598 -8.0261 -8.0256 -6.5825 -6.5819 -6.5813 -6.5802 -6.3906 -6.3869 -6.3845 -6.3827 -6.2823 -6.2808 -6.2272 -6.2268 -5.8934 -5.8929 -5.8827 -5.8823 -4.1366 -4.1361 -4.0913 -4.0908 -3.0434 -3.0417 -2.9270 -2.9247 -2.2662 -2.2639 -1.9156 -1.9131 -1.6021 -1.6004 -1.5157 -1.5149 4.5554 4.5555 4.8573 4.8574 5.9568 5.9570 6.2051 6.2051 7.0130 7.0131 7.7023 7.7024 k = 0.0000 0.0000 0.1428 ( 7591 PWs) bands (ev): -21.7844 -21.7844 -21.7672 -21.7672 -21.1839 -21.1839 -21.1724 -21.1723 -13.2000 -13.1999 -13.1342 -13.1338 -12.9789 -12.9785 -12.8730 -12.8728 -8.6766 -8.6764 -8.6255 -8.6252 -8.0586 -8.0581 -8.0275 -8.0271 -6.5837 -6.5828 -6.5826 -6.5817 -6.3871 -6.3835 -6.3831 -6.3815 -6.2814 -6.2797 -6.2296 -6.2291 -5.8937 -5.8932 -5.8839 -5.8834 -4.1347 -4.1342 -4.0936 -4.0930 -3.0385 -3.0367 -2.9331 -2.9306 -2.2514 -2.2490 -1.9353 -1.9326 -1.5939 -1.5922 -1.5176 -1.5167 4.5689 4.5690 4.8434 4.8434 5.9709 5.9711 6.1987 6.1987 7.0347 7.0348 7.6596 7.6597 k = 0.0000 0.0000 0.1571 ( 7597 PWs) bands (ev): -21.7835 -21.7835 -21.7682 -21.7682 -21.1833 -21.1833 -21.1730 -21.1730 -13.1977 -13.1976 -13.1400 -13.1397 -12.9709 -12.9705 -12.8775 -12.8773 -8.6740 -8.6737 -8.6283 -8.6280 -8.0569 -8.0564 -8.0291 -8.0286 -6.5850 -6.5839 -6.5837 -6.5829 -6.3840 -6.3823 -6.3803 -6.3797 -6.2800 -6.2782 -6.2323 -6.2317 -5.8940 -5.8934 -5.8850 -5.8845 -4.1327 -4.1322 -4.0960 -4.0954 -3.0332 -3.0312 -2.9395 -2.9369 -2.2355 -2.2330 -1.9555 -1.9528 -1.5861 -1.5844 -1.5198 -1.5188 4.5835 4.5836 4.8284 4.8284 5.9858 5.9860 6.1908 6.1908 7.0592 7.0593 7.6155 7.6156 k = 0.0000 0.0000 0.1713 ( 7595 PWs) bands (ev): -21.7825 -21.7825 -21.7692 -21.7692 -21.1826 -21.1826 -21.1736 -21.1736 -13.1952 -13.1950 -13.1457 -13.1454 -12.9630 -12.9626 -12.8824 -12.8822 -8.6711 -8.6708 -8.6313 -8.6310 -8.0550 -8.0545 -8.0308 -8.0303 -6.5862 -6.5850 -6.5847 -6.5840 -6.3817 -6.3807 -6.3790 -6.3768 -6.2782 -6.2763 -6.2353 -6.2346 -5.8941 -5.8935 -5.8862 -5.8856 -4.1306 -4.1300 -4.0986 -4.0980 -3.0276 -3.0255 -2.9461 -2.9435 -2.2186 -2.2160 -1.9761 -1.9733 -1.5787 -1.5770 -1.5222 -1.5212 4.5990 4.5991 4.8124 4.8125 6.0016 6.0018 6.1817 6.1817 7.0865 7.0865 7.5704 7.5705 k = 0.0000 0.0000 0.1856 ( 7602 PWs) bands (ev): -21.7815 -21.7815 -21.7702 -21.7702 -21.1819 -21.1819 -21.1743 -21.1743 -13.1923 -13.1922 -13.1511 -13.1508 -12.9551 -12.9548 -12.8876 -12.8874 -8.6681 -8.6678 -8.6345 -8.6342 -8.0531 -8.0525 -8.0326 -8.0321 -6.5872 -6.5860 -6.5856 -6.5849 -6.3804 -6.3787 -6.3776 -6.3746 -6.2758 -6.2739 -6.2386 -6.2378 -5.8942 -5.8936 -5.8874 -5.8868 -4.1283 -4.1276 -4.1013 -4.1006 -3.0216 -3.0194 -2.9529 -2.9503 -2.2009 -2.1982 -1.9969 -1.9941 -1.5718 -1.5701 -1.5249 -1.5238 4.6153 4.6154 4.7957 4.7958 6.0179 6.0181 6.1711 6.1711 7.1164 7.1165 7.5248 7.5249 k = 0.0000 0.0000 0.1999 ( 7590 PWs) bands (ev): -21.7804 -21.7804 -21.7713 -21.7713 -21.1812 -21.1812 -21.1750 -21.1750 -13.1893 -13.1891 -13.1563 -13.1560 -12.9474 -12.9471 -12.8932 -12.8929 -8.6649 -8.6646 -8.6377 -8.6374 -8.0511 -8.0505 -8.0345 -8.0339 -6.5879 -6.5868 -6.5865 -6.5857 -6.3792 -6.3771 -6.3763 -6.3729 -6.2730 -6.2711 -6.2421 -6.2412 -5.8941 -5.8934 -5.8885 -5.8879 -4.1258 -4.1252 -4.1040 -4.1033 -3.0154 -3.0131 -2.9599 -2.9572 -2.1824 -2.1796 -2.0180 -2.0152 -1.5652 -1.5636 -1.5280 -1.5268 4.6324 4.6325 4.7784 4.7785 6.0346 6.0347 6.1593 6.1593 7.1490 7.1491 7.4791 7.4792 k = 0.0000 0.0000 0.2142 ( 7588 PWs) bands (ev): -21.7793 -21.7793 -21.7725 -21.7725 -21.1804 -21.1804 -21.1757 -21.1757 -13.1860 -13.1858 -13.1612 -13.1610 -12.9399 -12.9395 -12.8990 -12.8988 -8.6616 -8.6613 -8.6411 -8.6407 -8.0490 -8.0484 -8.0365 -8.0359 -6.5885 -6.5873 -6.5872 -6.5864 -6.3780 -6.3760 -6.3749 -6.3719 -6.2697 -6.2679 -6.2459 -6.2448 -5.8938 -5.8932 -5.8896 -5.8889 -4.1232 -4.1226 -4.1068 -4.1061 -3.0089 -3.0065 -2.9670 -2.9643 -2.1631 -2.1603 -2.0392 -2.0363 -1.5592 -1.5576 -1.5313 -1.5301 4.6500 4.6501 4.7605 4.7606 6.0515 6.0516 6.1463 6.1463 7.1841 7.1842 7.4336 7.4337 k = 0.0000 0.0000 0.2285 ( 7584 PWs) bands (ev): -21.7782 -21.7782 -21.7736 -21.7736 -21.1796 -21.1796 -21.1765 -21.1765 -13.1825 -13.1822 -13.1660 -13.1657 -12.9325 -12.9322 -12.9052 -12.9049 -8.6583 -8.6579 -8.6445 -8.6441 -8.0469 -8.0463 -8.0385 -8.0379 -6.5888 -6.5879 -6.5877 -6.5870 -6.3770 -6.3754 -6.3737 -6.3714 -6.2660 -6.2643 -6.2498 -6.2487 -5.8935 -5.8928 -5.8906 -5.8899 -4.1206 -4.1199 -4.1096 -4.1089 -3.0022 -2.9997 -2.9741 -2.9714 -2.1433 -2.1405 -2.0604 -2.0575 -1.5535 -1.5520 -1.5350 -1.5337 4.6681 4.6682 4.7422 4.7423 6.0684 6.0685 6.1322 6.1323 7.2214 7.2215 7.3887 7.3888 k = 0.0000 0.0000 0.2427 ( 7586 PWs) bands (ev): -21.7771 -21.7771 -21.7748 -21.7748 -21.1788 -21.1788 -21.1773 -21.1773 -13.1787 -13.1785 -13.1705 -13.1702 -12.9253 -12.9250 -12.9116 -12.9113 -8.6548 -8.6545 -8.6479 -8.6476 -8.0448 -8.0442 -8.0406 -8.0399 -6.5888 -6.5884 -6.5878 -6.5874 -6.3762 -6.3753 -6.3727 -6.3715 -6.2621 -6.2605 -6.2539 -6.2526 -5.8929 -5.8923 -5.8915 -5.8908 -4.1179 -4.1172 -4.1124 -4.1117 -2.9953 -2.9928 -2.9812 -2.9785 -2.1231 -2.1202 -2.0815 -2.0786 -1.5483 -1.5468 -1.5390 -1.5377 4.6865 4.6866 4.7237 4.7238 6.0851 6.0852 6.1172 6.1173 7.2608 7.2609 7.3447 7.3448 k = 0.0000 0.0000 0.2570 ( 7574 PWs) bands (ev): -21.7759 -21.7759 -21.7759 -21.7759 -21.1780 -21.1780 -21.1780 -21.1780 -13.1747 -13.1747 -13.1744 -13.1744 -12.9184 -12.9184 -12.9180 -12.9180 -8.6514 -8.6514 -8.6510 -8.6510 -8.0427 -8.0427 -8.0420 -8.0420 -6.5887 -6.5887 -6.5877 -6.5877 -6.3756 -6.3756 -6.3719 -6.3719 -6.2580 -6.2580 -6.2566 -6.2566 -5.8923 -5.8923 -5.8916 -5.8916 -4.1152 -4.1152 -4.1145 -4.1145 -2.9883 -2.9883 -2.9857 -2.9857 -2.1024 -2.1024 -2.0995 -2.0995 -1.5435 -1.5435 -1.5420 -1.5420 4.7051 4.7051 4.7052 4.7052 6.1014 6.1014 6.1015 6.1015 7.3020 7.3020 7.3021 7.3021 k = 0.0000 0.0000 0.2570 ( 7574 PWs) bands (ev): -21.7759 -21.7759 -21.7759 -21.7759 -21.1780 -21.1780 -21.1780 -21.1780 -13.1747 -13.1747 -13.1744 -13.1744 -12.9184 -12.9184 -12.9180 -12.9180 -8.6514 -8.6514 -8.6510 -8.6510 -8.0427 -8.0427 -8.0420 -8.0420 -6.5887 -6.5887 -6.5877 -6.5877 -6.3756 -6.3756 -6.3719 -6.3719 -6.2580 -6.2580 -6.2566 -6.2566 -5.8923 -5.8923 -5.8916 -5.8916 -4.1152 -4.1152 -4.1145 -4.1145 -2.9883 -2.9883 -2.9857 -2.9857 -2.1024 -2.1024 -2.0995 -2.0995 -1.5435 -1.5435 -1.5420 -1.5420 4.7051 4.7051 4.7052 4.7052 6.1014 6.1014 6.1015 6.1015 7.3020 7.3020 7.3021 7.3021 k = 0.0147-0.0000 0.2570 ( 7582 PWs) bands (ev): -21.7756 -21.7756 -21.7756 -21.7756 -21.1784 -21.1784 -21.1784 -21.1784 -13.1745 -13.1745 -13.1743 -13.1743 -12.9185 -12.9185 -12.9182 -12.9182 -8.6511 -8.6511 -8.6508 -8.6508 -8.0431 -8.0431 -8.0424 -8.0424 -6.5887 -6.5887 -6.5877 -6.5877 -6.3757 -6.3757 -6.3720 -6.3720 -6.2581 -6.2581 -6.2566 -6.2566 -5.8922 -5.8922 -5.8915 -5.8915 -4.1149 -4.1149 -4.1142 -4.1142 -2.9890 -2.9890 -2.9863 -2.9863 -2.1023 -2.1023 -2.0994 -2.0994 -1.5436 -1.5436 -1.5422 -1.5422 4.7069 4.7069 4.7070 4.7070 6.1034 6.1034 6.1035 6.1035 7.3016 7.3016 7.3017 7.3017 k = 0.0294-0.0000 0.2570 ( 7594 PWs) bands (ev): -21.7747 -21.7747 -21.7747 -21.7747 -21.1794 -21.1794 -21.1794 -21.1794 -13.1741 -13.1741 -13.1738 -13.1738 -12.9188 -12.9188 -12.9185 -12.9185 -8.6504 -8.6504 -8.6500 -8.6500 -8.0443 -8.0443 -8.0437 -8.0437 -6.5889 -6.5889 -6.5879 -6.5879 -6.3758 -6.3758 -6.3721 -6.3721 -6.2581 -6.2581 -6.2566 -6.2566 -5.8921 -5.8921 -5.8914 -5.8914 -4.1141 -4.1141 -4.1134 -4.1134 -2.9909 -2.9909 -2.9883 -2.9883 -2.1019 -2.1019 -2.0990 -2.0990 -1.5441 -1.5441 -1.5426 -1.5426 4.7123 4.7123 4.7125 4.7125 6.1093 6.1093 6.1094 6.1094 7.3003 7.3003 7.3005 7.3005 k = 0.0441-0.0000 0.2570 ( 7598 PWs) bands (ev): -21.7732 -21.7732 -21.7732 -21.7732 -21.1811 -21.1811 -21.1810 -21.1810 -13.1733 -13.1733 -13.1731 -13.1731 -12.9194 -12.9194 -12.9191 -12.9191 -8.6491 -8.6491 -8.6488 -8.6488 -8.0463 -8.0463 -8.0457 -8.0457 -6.5891 -6.5891 -6.5880 -6.5880 -6.3760 -6.3760 -6.3724 -6.3724 -6.2581 -6.2581 -6.2567 -6.2567 -5.8919 -5.8919 -5.8912 -5.8912 -4.1128 -4.1128 -4.1121 -4.1121 -2.9941 -2.9941 -2.9915 -2.9915 -2.1011 -2.1011 -2.0983 -2.0983 -1.5448 -1.5448 -1.5434 -1.5434 4.7214 4.7214 4.7215 4.7215 6.1190 6.1190 6.1192 6.1192 7.2982 7.2982 7.2984 7.2984 k = 0.0588-0.0000 0.2570 ( 7594 PWs) bands (ev): -21.7711 -21.7711 -21.7711 -21.7711 -21.1834 -21.1834 -21.1834 -21.1834 -13.1722 -13.1722 -13.1720 -13.1720 -12.9202 -12.9202 -12.9199 -12.9199 -8.6473 -8.6473 -8.6470 -8.6470 -8.0492 -8.0492 -8.0485 -8.0485 -6.5893 -6.5893 -6.5883 -6.5883 -6.3763 -6.3763 -6.3727 -6.3727 -6.2582 -6.2582 -6.2567 -6.2567 -5.8916 -5.8916 -5.8910 -5.8910 -4.1110 -4.1110 -4.1103 -4.1103 -2.9986 -2.9986 -2.9961 -2.9961 -2.1001 -2.1001 -2.0973 -2.0973 -1.5459 -1.5459 -1.5444 -1.5444 4.7340 4.7340 4.7342 4.7342 6.1326 6.1326 6.1329 6.1329 7.2952 7.2952 7.2955 7.2955 k = 0.0735-0.0000 0.2570 ( 7598 PWs) bands (ev): -21.7683 -21.7683 -21.7683 -21.7683 -21.1863 -21.1863 -21.1863 -21.1863 -13.1709 -13.1709 -13.1706 -13.1706 -12.9213 -12.9213 -12.9210 -12.9210 -8.6451 -8.6451 -8.6447 -8.6447 -8.0528 -8.0528 -8.0521 -8.0521 -6.5896 -6.5896 -6.5886 -6.5886 -6.3767 -6.3767 -6.3732 -6.3732 -6.2583 -6.2583 -6.2568 -6.2568 -5.8913 -5.8913 -5.8906 -5.8906 -4.1085 -4.1085 -4.1078 -4.1078 -3.0044 -3.0044 -3.0020 -3.0020 -2.0987 -2.0987 -2.0960 -2.0960 -1.5473 -1.5473 -1.5458 -1.5458 4.7502 4.7502 4.7503 4.7503 6.1499 6.1499 6.1502 6.1502 7.2914 7.2914 7.2917 7.2917 k = 0.0882-0.0000 0.2570 ( 7604 PWs) bands (ev): -21.7650 -21.7650 -21.7650 -21.7650 -21.1900 -21.1900 -21.1900 -21.1900 -13.1692 -13.1692 -13.1689 -13.1689 -12.9225 -12.9225 -12.9222 -12.9222 -8.6423 -8.6423 -8.6419 -8.6419 -8.0572 -8.0572 -8.0565 -8.0565 -6.5900 -6.5900 -6.5889 -6.5889 -6.3771 -6.3771 -6.3737 -6.3737 -6.2584 -6.2584 -6.2569 -6.2569 -5.8909 -5.8909 -5.8902 -5.8902 -4.1055 -4.1055 -4.1048 -4.1048 -3.0115 -3.0115 -3.0091 -3.0091 -2.0970 -2.0970 -2.0944 -2.0944 -1.5490 -1.5490 -1.5475 -1.5475 4.7698 4.7698 4.7700 4.7700 6.1708 6.1708 6.1711 6.1711 7.2867 7.2867 7.2871 7.2871 k = 0.1029-0.0000 0.2570 ( 7608 PWs) bands (ev): -21.7611 -21.7611 -21.7611 -21.7611 -21.1942 -21.1942 -21.1942 -21.1942 -13.1672 -13.1672 -13.1670 -13.1670 -12.9240 -12.9240 -12.9237 -12.9237 -8.6391 -8.6391 -8.6386 -8.6386 -8.0624 -8.0624 -8.0617 -8.0617 -6.5905 -6.5905 -6.5893 -6.5893 -6.3776 -6.3776 -6.3743 -6.3743 -6.2586 -6.2586 -6.2571 -6.2571 -5.8904 -5.8904 -5.8897 -5.8897 -4.1019 -4.1019 -4.1012 -4.1012 -3.0199 -3.0199 -3.0175 -3.0175 -2.0949 -2.0949 -2.0924 -2.0924 -1.5510 -1.5510 -1.5495 -1.5495 4.7929 4.7929 4.7931 4.7931 6.1950 6.1950 6.1955 6.1955 7.2812 7.2812 7.2816 7.2816 k = 0.1176-0.0000 0.2570 ( 7598 PWs) bands (ev): -21.7566 -21.7566 -21.7566 -21.7566 -21.1991 -21.1991 -21.1991 -21.1991 -13.1650 -13.1650 -13.1647 -13.1647 -12.9257 -12.9257 -12.9254 -12.9254 -8.6354 -8.6354 -8.6349 -8.6349 -8.0682 -8.0682 -8.0675 -8.0675 -6.5909 -6.5909 -6.5898 -6.5898 -6.3782 -6.3782 -6.3750 -6.3750 -6.2588 -6.2588 -6.2573 -6.2573 -5.8898 -5.8898 -5.8891 -5.8891 -4.0977 -4.0977 -4.0970 -4.0970 -3.0295 -3.0295 -3.0272 -3.0272 -2.0924 -2.0924 -2.0901 -2.0901 -1.5533 -1.5533 -1.5519 -1.5519 4.8194 4.8194 4.8196 4.8196 6.2225 6.2225 6.2230 6.2230 7.2747 7.2747 7.2752 7.2752 k = 0.1324-0.0000 0.2570 ( 7594 PWs) bands (ev): -21.7515 -21.7515 -21.7515 -21.7515 -21.2046 -21.2046 -21.2046 -21.2046 -13.1624 -13.1624 -13.1622 -13.1622 -12.9276 -12.9276 -12.9273 -12.9273 -8.6312 -8.6312 -8.6307 -8.6307 -8.0748 -8.0748 -8.0740 -8.0740 -6.5914 -6.5914 -6.5902 -6.5902 -6.3789 -6.3789 -6.3758 -6.3758 -6.2590 -6.2590 -6.2575 -6.2575 -5.8892 -5.8892 -5.8885 -5.8885 -4.0928 -4.0928 -4.0921 -4.0921 -3.0404 -3.0404 -3.0382 -3.0382 -2.0896 -2.0896 -2.0873 -2.0873 -1.5560 -1.5560 -1.5545 -1.5545 4.8491 4.8491 4.8493 4.8493 6.2529 6.2529 6.2535 6.2535 7.2675 7.2675 7.2680 7.2680 k = 0.1471-0.0000 0.2570 ( 7606 PWs) bands (ev): -21.7459 -21.7459 -21.7459 -21.7459 -21.2107 -21.2107 -21.2107 -21.2107 -13.1596 -13.1596 -13.1593 -13.1593 -12.9297 -12.9297 -12.9294 -12.9294 -8.6265 -8.6265 -8.6260 -8.6260 -8.0820 -8.0820 -8.0812 -8.0812 -6.5919 -6.5919 -6.5907 -6.5907 -6.3796 -6.3796 -6.3767 -6.3767 -6.2593 -6.2593 -6.2579 -6.2579 -5.8885 -5.8885 -5.8879 -5.8879 -4.0872 -4.0872 -4.0865 -4.0865 -3.0526 -3.0526 -3.0504 -3.0504 -2.0863 -2.0863 -2.0842 -2.0842 -1.5590 -1.5590 -1.5576 -1.5576 4.8820 4.8820 4.8823 4.8823 6.2859 6.2859 6.2866 6.2866 7.2594 7.2594 7.2600 7.2600 k = 0.1618-0.0000 0.2570 ( 7604 PWs) bands (ev): -21.7397 -21.7397 -21.7397 -21.7397 -21.2174 -21.2174 -21.2174 -21.2174 -13.1565 -13.1565 -13.1563 -13.1563 -12.9320 -12.9320 -12.9318 -12.9318 -8.6215 -8.6215 -8.6209 -8.6209 -8.0899 -8.0899 -8.0891 -8.0891 -6.5924 -6.5924 -6.5911 -6.5911 -6.3805 -6.3805 -6.3776 -6.3776 -6.2596 -6.2596 -6.2582 -6.2582 -5.8878 -5.8878 -5.8872 -5.8872 -4.0809 -4.0809 -4.0802 -4.0802 -3.0659 -3.0659 -3.0639 -3.0639 -2.0825 -2.0825 -2.0806 -2.0806 -1.5624 -1.5624 -1.5609 -1.5609 4.9180 4.9180 4.9183 4.9183 6.3213 6.3213 6.3221 6.3221 7.2506 7.2506 7.2512 7.2512 k = 0.1765-0.0000 0.2570 ( 7602 PWs) bands (ev): -21.7330 -21.7330 -21.7330 -21.7330 -21.2247 -21.2247 -21.2247 -21.2247 -13.1531 -13.1531 -13.1529 -13.1529 -12.9346 -12.9346 -12.9343 -12.9343 -8.6160 -8.6160 -8.6154 -8.6154 -8.0983 -8.0983 -8.0975 -8.0975 -6.5929 -6.5929 -6.5916 -6.5916 -6.3814 -6.3814 -6.3787 -6.3787 -6.2600 -6.2600 -6.2586 -6.2586 -5.8871 -5.8871 -5.8864 -5.8864 -4.0739 -4.0739 -4.0732 -4.0732 -3.0804 -3.0804 -3.0785 -3.0785 -2.0784 -2.0784 -2.0765 -2.0765 -1.5661 -1.5661 -1.5646 -1.5646 4.9570 4.9570 4.9573 4.9573 6.3585 6.3585 6.3594 6.3594 7.2411 7.2411 7.2418 7.2418 k = 0.1912-0.0000 0.2570 ( 7594 PWs) bands (ev): -21.7257 -21.7257 -21.7257 -21.7257 -21.2325 -21.2325 -21.2325 -21.2325 -13.1495 -13.1495 -13.1493 -13.1493 -12.9373 -12.9373 -12.9371 -12.9371 -8.6101 -8.6101 -8.6095 -8.6095 -8.1073 -8.1073 -8.1065 -8.1065 -6.5933 -6.5933 -6.5920 -6.5920 -6.3824 -6.3824 -6.3799 -6.3799 -6.2604 -6.2604 -6.2590 -6.2590 -5.8863 -5.8863 -5.8856 -5.8856 -4.0661 -4.0661 -4.0654 -4.0654 -3.0961 -3.0961 -3.0942 -3.0942 -2.0737 -2.0737 -2.0720 -2.0720 -1.5702 -1.5702 -1.5687 -1.5687 4.9988 4.9988 4.9992 4.9992 6.3972 6.3972 6.3981 6.3981 7.2310 7.2310 7.2318 7.2318 k = 0.2059-0.0000 0.2570 ( 7598 PWs) bands (ev): -21.7179 -21.7179 -21.7179 -21.7179 -21.2409 -21.2409 -21.2409 -21.2409 -13.1457 -13.1457 -13.1455 -13.1455 -12.9403 -12.9403 -12.9401 -12.9401 -8.6038 -8.6038 -8.6031 -8.6031 -8.1169 -8.1169 -8.1160 -8.1160 -6.5938 -6.5938 -6.5924 -6.5924 -6.3836 -6.3836 -6.3811 -6.3811 -6.2607 -6.2607 -6.2595 -6.2595 -5.8855 -5.8855 -5.8849 -5.8849 -4.0575 -4.0575 -4.0568 -4.0568 -3.1129 -3.1129 -3.1111 -3.1111 -2.0687 -2.0687 -2.0671 -2.0671 -1.5746 -1.5746 -1.5731 -1.5731 5.0434 5.0434 5.0437 5.0437 6.4366 6.4366 6.4376 6.4376 7.2207 7.2207 7.2215 7.2215 k = 0.2206-0.0000 0.2570 ( 7598 PWs) bands (ev): -21.7097 -21.7097 -21.7097 -21.7097 -21.2497 -21.2497 -21.2497 -21.2497 -13.1416 -13.1416 -13.1414 -13.1414 -12.9435 -12.9435 -12.9432 -12.9432 -8.5971 -8.5971 -8.5964 -8.5964 -8.1269 -8.1269 -8.1260 -8.1260 -6.5941 -6.5941 -6.5927 -6.5927 -6.3848 -6.3848 -6.3825 -6.3825 -6.2611 -6.2611 -6.2600 -6.2600 -5.8847 -5.8847 -5.8841 -5.8841 -4.0482 -4.0482 -4.0475 -4.0475 -3.1306 -3.1306 -3.1290 -3.1290 -2.0632 -2.0632 -2.0618 -2.0618 -1.5793 -1.5793 -1.5778 -1.5778 5.0905 5.0905 5.0909 5.0909 6.4762 6.4762 6.4772 6.4772 7.2103 7.2103 7.2112 7.2112 k = 0.2353-0.0000 0.2570 ( 7608 PWs) bands (ev): -21.7009 -21.7009 -21.7009 -21.7009 -21.2591 -21.2591 -21.2591 -21.2591 -13.1374 -13.1374 -13.1372 -13.1372 -12.9468 -12.9468 -12.9466 -12.9466 -8.5901 -8.5901 -8.5894 -8.5894 -8.1373 -8.1373 -8.1364 -8.1364 -6.5944 -6.5944 -6.5930 -6.5930 -6.3862 -6.3862 -6.3840 -6.3840 -6.2615 -6.2615 -6.2604 -6.2604 -5.8839 -5.8839 -5.8833 -5.8833 -4.0381 -4.0381 -4.0374 -4.0374 -3.1494 -3.1494 -3.1478 -3.1478 -2.0573 -2.0573 -2.0561 -2.0561 -1.5843 -1.5843 -1.5828 -1.5828 5.1400 5.1400 5.1405 5.1405 6.5150 6.5150 6.5161 6.5161 7.2002 7.2002 7.2011 7.2011 k = 0.2500-0.0000 0.2570 ( 7606 PWs) bands (ev): -21.6917 -21.6917 -21.6917 -21.6917 -21.2690 -21.2690 -21.2690 -21.2690 -13.1329 -13.1329 -13.1327 -13.1327 -12.9504 -12.9504 -12.9501 -12.9501 -8.5827 -8.5827 -8.5820 -8.5820 -8.1481 -8.1481 -8.1471 -8.1471 -6.5946 -6.5946 -6.5933 -6.5933 -6.3877 -6.3877 -6.3856 -6.3856 -6.2619 -6.2619 -6.2609 -6.2609 -5.8831 -5.8831 -5.8826 -5.8826 -4.0272 -4.0272 -4.0265 -4.0265 -3.1689 -3.1689 -3.1674 -3.1674 -2.0510 -2.0510 -2.0499 -2.0499 -1.5897 -1.5897 -1.5882 -1.5882 5.1919 5.1919 5.1923 5.1923 6.5520 6.5520 6.5532 6.5532 7.1910 7.1910 7.1920 7.1920 k = 0.2647-0.0000 0.2570 ( 7606 PWs) bands (ev): -21.6820 -21.6820 -21.6820 -21.6820 -21.2793 -21.2793 -21.2793 -21.2793 -13.1282 -13.1282 -13.1280 -13.1280 -12.9541 -12.9541 -12.9539 -12.9539 -8.5750 -8.5750 -8.5743 -8.5743 -8.1592 -8.1592 -8.1582 -8.1582 -6.5948 -6.5948 -6.5934 -6.5934 -6.3893 -6.3893 -6.3873 -6.3873 -6.2622 -6.2622 -6.2613 -6.2613 -5.8823 -5.8823 -5.8818 -5.8818 -4.0155 -4.0155 -4.0148 -4.0148 -3.1893 -3.1893 -3.1879 -3.1879 -2.0444 -2.0444 -2.0435 -2.0435 -1.5953 -1.5953 -1.5938 -1.5938 5.2458 5.2458 5.2463 5.2463 6.5860 6.5860 6.5873 6.5873 7.1835 7.1835 7.1845 7.1845 k = 0.2794-0.0000 0.2570 ( 7614 PWs) bands (ev): -21.6719 -21.6719 -21.6719 -21.6719 -21.2900 -21.2900 -21.2900 -21.2900 -13.1234 -13.1234 -13.1232 -13.1232 -12.9580 -12.9580 -12.9578 -12.9578 -8.5671 -8.5671 -8.5663 -8.5663 -8.1706 -8.1706 -8.1696 -8.1696 -6.5949 -6.5949 -6.5935 -6.5935 -6.3910 -6.3910 -6.3892 -6.3892 -6.2625 -6.2625 -6.2617 -6.2617 -5.8816 -5.8816 -5.8811 -5.8811 -4.0030 -4.0030 -4.0023 -4.0023 -3.2104 -3.2104 -3.2090 -3.2090 -2.0376 -2.0376 -2.0367 -2.0367 -1.6011 -1.6011 -1.5997 -1.5997 5.3017 5.3017 5.3022 5.3022 6.6157 6.6157 6.6170 6.6170 7.1785 7.1785 7.1795 7.1795 k = 0.2941-0.0000 0.2570 ( 7634 PWs) bands (ev): -21.6614 -21.6614 -21.6614 -21.6614 -21.3011 -21.3011 -21.3011 -21.3011 -13.1184 -13.1184 -13.1182 -13.1182 -12.9621 -12.9621 -12.9619 -12.9619 -8.5589 -8.5589 -8.5581 -8.5581 -8.1822 -8.1822 -8.1812 -8.1812 -6.5949 -6.5949 -6.5935 -6.5935 -6.3928 -6.3928 -6.3911 -6.3911 -6.2628 -6.2628 -6.2620 -6.2620 -5.8809 -5.8809 -5.8804 -5.8804 -3.9899 -3.9899 -3.9892 -3.9892 -3.2320 -3.2320 -3.2307 -3.2307 -2.0304 -2.0304 -2.0297 -2.0297 -1.6072 -1.6072 -1.6057 -1.6057 5.3594 5.3594 5.3598 5.3598 6.6394 6.6394 6.6407 6.6407 7.1770 7.1770 7.1780 7.1780 k = 0.3088-0.0000 0.2570 ( 7626 PWs) bands (ev): -21.6504 -21.6504 -21.6504 -21.6504 -21.3126 -21.3126 -21.3126 -21.3126 -13.1132 -13.1132 -13.1130 -13.1130 -12.9663 -12.9663 -12.9662 -12.9662 -8.5504 -8.5504 -8.5496 -8.5496 -8.1939 -8.1939 -8.1929 -8.1929 -6.5948 -6.5948 -6.5935 -6.5935 -6.3947 -6.3947 -6.3931 -6.3931 -6.2630 -6.2630 -6.2623 -6.2623 -5.8802 -5.8802 -5.8798 -5.8798 -3.9760 -3.9760 -3.9754 -3.9754 -3.2540 -3.2540 -3.2528 -3.2528 -2.0231 -2.0231 -2.0225 -2.0225 -1.6133 -1.6133 -1.6120 -1.6120 5.4186 5.4186 5.4191 5.4191 6.6556 6.6556 6.6570 6.6570 7.1801 7.1801 7.1810 7.1810 k = 0.3235-0.0000 0.2570 ( 7620 PWs) bands (ev): -21.6391 -21.6391 -21.6391 -21.6391 -21.3245 -21.3245 -21.3245 -21.3245 -13.1079 -13.1079 -13.1077 -13.1077 -12.9707 -12.9707 -12.9706 -12.9706 -8.5418 -8.5418 -8.5410 -8.5410 -8.2057 -8.2057 -8.2047 -8.2047 -6.5947 -6.5947 -6.5933 -6.5933 -6.3966 -6.3966 -6.3951 -6.3951 -6.2631 -6.2631 -6.2625 -6.2625 -5.8796 -5.8796 -5.8791 -5.8791 -3.9616 -3.9616 -3.9609 -3.9609 -3.2763 -3.2763 -3.2752 -3.2752 -2.0157 -2.0157 -2.0151 -2.0151 -1.6196 -1.6196 -1.6183 -1.6183 5.4791 5.4791 5.4797 5.4797 6.6634 6.6634 6.6646 6.6646 7.1883 7.1883 7.1892 7.1892 k = 0.3382-0.0000 0.2570 ( 7604 PWs) bands (ev): -21.6275 -21.6275 -21.6275 -21.6275 -21.3366 -21.3366 -21.3366 -21.3366 -13.1025 -13.1025 -13.1023 -13.1023 -12.9753 -12.9753 -12.9751 -12.9751 -8.5330 -8.5330 -8.5322 -8.5322 -8.2175 -8.2175 -8.2165 -8.2165 -6.5944 -6.5944 -6.5931 -6.5931 -6.3986 -6.3986 -6.3972 -6.3972 -6.2632 -6.2632 -6.2627 -6.2627 -5.8790 -5.8790 -5.8786 -5.8786 -3.9467 -3.9467 -3.9460 -3.9460 -3.2988 -3.2988 -3.2977 -3.2977 -2.0083 -2.0083 -2.0078 -2.0078 -1.6259 -1.6259 -1.6246 -1.6246 5.5409 5.5409 5.5414 5.5414 6.6620 6.6620 6.6632 6.6632 7.2018 7.2018 7.2025 7.2025 k = 0.3529-0.0000 0.2570 ( 7600 PWs) bands (ev): -21.6155 -21.6155 -21.6155 -21.6155 -21.3491 -21.3491 -21.3491 -21.3491 -13.0970 -13.0970 -13.0968 -13.0968 -12.9800 -12.9800 -12.9798 -12.9798 -8.5241 -8.5241 -8.5233 -8.5233 -8.2292 -8.2292 -8.2282 -8.2282 -6.5941 -6.5941 -6.5929 -6.5929 -6.4006 -6.4006 -6.3993 -6.3993 -6.2632 -6.2632 -6.2628 -6.2628 -5.8784 -5.8784 -5.8780 -5.8780 -3.9313 -3.9313 -3.9307 -3.9307 -3.3212 -3.3212 -3.3202 -3.3202 -2.0009 -2.0009 -2.0005 -2.0005 -1.6322 -1.6322 -1.6310 -1.6310 5.6036 5.6036 5.6042 5.6042 6.6517 6.6517 6.6528 6.6528 7.2199 7.2199 7.2205 7.2205 k = 0.3676-0.0000 0.2570 ( 7596 PWs) bands (ev): -21.6033 -21.6033 -21.6033 -21.6033 -21.3618 -21.3618 -21.3618 -21.3618 -13.0914 -13.0914 -13.0913 -13.0913 -12.9848 -12.9848 -12.9846 -12.9846 -8.5152 -8.5152 -8.5144 -8.5144 -8.2408 -8.2408 -8.2398 -8.2398 -6.5937 -6.5937 -6.5926 -6.5926 -6.4026 -6.4026 -6.4013 -6.4013 -6.2632 -6.2632 -6.2628 -6.2628 -5.8779 -5.8779 -5.8776 -5.8776 -3.9158 -3.9158 -3.9152 -3.9152 -3.3433 -3.3433 -3.3424 -3.3424 -1.9937 -1.9937 -1.9933 -1.9933 -1.6384 -1.6384 -1.6372 -1.6372 5.6671 5.6671 5.6676 5.6676 6.6331 6.6331 6.6341 6.6341 7.2417 7.2417 7.2422 7.2422 k = 0.3824-0.0000 0.2570 ( 7592 PWs) bands (ev): -21.5907 -21.5907 -21.5907 -21.5907 -21.3748 -21.3748 -21.3748 -21.3748 -13.0858 -13.0858 -13.0857 -13.0857 -12.9897 -12.9897 -12.9895 -12.9895 -8.5063 -8.5063 -8.5055 -8.5055 -8.2520 -8.2520 -8.2511 -8.2511 -6.5933 -6.5933 -6.5923 -6.5923 -6.4045 -6.4045 -6.4034 -6.4034 -6.2632 -6.2632 -6.2629 -6.2629 -5.8775 -5.8775 -5.8772 -5.8772 -3.9001 -3.9001 -3.8995 -3.8995 -3.3650 -3.3650 -3.3641 -3.3641 -1.9867 -1.9867 -1.9864 -1.9864 -1.6444 -1.6444 -1.6433 -1.6433 5.7310 5.7310 5.7316 5.7316 6.6072 6.6072 6.6081 6.6081 7.2659 7.2659 7.2663 7.2663 k = 0.3971-0.0000 0.2570 ( 7586 PWs) bands (ev): -21.5779 -21.5779 -21.5779 -21.5779 -21.3880 -21.3880 -21.3880 -21.3880 -13.0802 -13.0802 -13.0801 -13.0801 -12.9946 -12.9946 -12.9945 -12.9945 -8.4977 -8.4977 -8.4969 -8.4969 -8.2629 -8.2629 -8.2620 -8.2620 -6.5929 -6.5929 -6.5920 -6.5920 -6.4063 -6.4063 -6.4052 -6.4052 -6.2631 -6.2631 -6.2629 -6.2629 -5.8771 -5.8771 -5.8768 -5.8768 -3.8847 -3.8847 -3.8841 -3.8841 -3.3859 -3.3859 -3.3851 -3.3851 -1.9802 -1.9802 -1.9799 -1.9799 -1.6500 -1.6500 -1.6491 -1.6491 5.7953 5.7953 5.7959 5.7959 6.5749 6.5749 6.5757 6.5757 7.2913 7.2913 7.2917 7.2917 k = 0.4118-0.0000 0.2570 ( 7572 PWs) bands (ev): -21.5649 -21.5649 -21.5649 -21.5649 -21.4013 -21.4013 -21.4013 -21.4013 -13.0746 -13.0746 -13.0745 -13.0745 -12.9997 -12.9997 -12.9995 -12.9995 -8.4893 -8.4893 -8.4886 -8.4886 -8.2732 -8.2732 -8.2723 -8.2723 -6.5925 -6.5925 -6.5917 -6.5917 -6.4079 -6.4079 -6.4070 -6.4070 -6.2631 -6.2631 -6.2628 -6.2628 -5.8767 -5.8767 -5.8765 -5.8765 -3.8697 -3.8697 -3.8692 -3.8692 -3.4056 -3.4056 -3.4048 -3.4048 -1.9741 -1.9741 -1.9738 -1.9738 -1.6553 -1.6553 -1.6544 -1.6544 5.8597 5.8597 5.8603 5.8603 6.5373 6.5373 6.5380 6.5380 7.3171 7.3171 7.3175 7.3175 k = 0.4265-0.0000 0.2570 ( 7566 PWs) bands (ev): -21.5517 -21.5517 -21.5517 -21.5517 -21.4149 -21.4149 -21.4149 -21.4149 -13.0691 -13.0691 -13.0690 -13.0690 -13.0047 -13.0047 -13.0046 -13.0046 -8.4814 -8.4814 -8.4807 -8.4807 -8.2827 -8.2827 -8.2819 -8.2819 -6.5921 -6.5921 -6.5914 -6.5914 -6.4093 -6.4093 -6.4086 -6.4086 -6.2630 -6.2630 -6.2628 -6.2628 -5.8764 -5.8764 -5.8762 -5.8762 -3.8557 -3.8557 -3.8552 -3.8552 -3.4237 -3.4237 -3.4231 -3.4231 -1.9687 -1.9687 -1.9684 -1.9684 -1.6600 -1.6600 -1.6592 -1.6592 5.9239 5.9239 5.9245 5.9245 6.4949 6.4949 6.4956 6.4956 7.3422 7.3422 7.3426 7.3426 k = 0.4412-0.0000 0.2570 ( 7562 PWs) bands (ev): -21.5383 -21.5383 -21.5383 -21.5383 -21.4285 -21.4285 -21.4285 -21.4285 -13.0637 -13.0637 -13.0636 -13.0636 -13.0096 -13.0096 -13.0095 -13.0095 -8.4743 -8.4743 -8.4737 -8.4737 -8.2911 -8.2911 -8.2905 -8.2905 -6.5917 -6.5917 -6.5911 -6.5911 -6.4105 -6.4105 -6.4099 -6.4099 -6.2629 -6.2629 -6.2627 -6.2627 -5.8762 -5.8762 -5.8760 -5.8760 -3.8430 -3.8430 -3.8426 -3.8426 -3.4398 -3.4398 -3.4392 -3.4392 -1.9640 -1.9640 -1.9638 -1.9638 -1.6640 -1.6640 -1.6634 -1.6634 5.9876 5.9876 5.9882 5.9882 6.4485 6.4485 6.4492 6.4492 7.3659 7.3659 7.3663 7.3663 k = 0.4559-0.0000 0.2570 ( 7556 PWs) bands (ev): -21.5248 -21.5248 -21.5248 -21.5248 -21.4422 -21.4422 -21.4422 -21.4422 -13.0587 -13.0587 -13.0586 -13.0586 -13.0143 -13.0143 -13.0142 -13.0142 -8.4681 -8.4681 -8.4677 -8.4677 -8.2982 -8.2982 -8.2977 -8.2977 -6.5914 -6.5914 -6.5909 -6.5909 -6.4115 -6.4115 -6.4110 -6.4110 -6.2628 -6.2628 -6.2627 -6.2627 -5.8760 -5.8760 -5.8758 -5.8758 -3.8321 -3.8321 -3.8318 -3.8318 -3.4532 -3.4532 -3.4528 -3.4528 -1.9602 -1.9602 -1.9600 -1.9600 -1.6673 -1.6673 -1.6668 -1.6668 6.0506 6.0506 6.0513 6.0513 6.3987 6.3987 6.3994 6.3994 7.3872 7.3872 7.3876 7.3876 k = 0.4706-0.0000 0.2570 ( 7568 PWs) bands (ev): -21.5112 -21.5112 -21.5111 -21.5111 -21.4560 -21.4560 -21.4560 -21.4560 -13.0543 -13.0543 -13.0542 -13.0542 -13.0185 -13.0185 -13.0185 -13.0185 -8.4634 -8.4634 -8.4630 -8.4630 -8.3036 -8.3036 -8.3033 -8.3033 -6.5911 -6.5911 -6.5908 -6.5908 -6.4122 -6.4122 -6.4119 -6.4119 -6.2627 -6.2627 -6.2627 -6.2627 -5.8758 -5.8758 -5.8757 -5.8757 -3.8238 -3.8238 -3.8236 -3.8236 -3.4634 -3.4634 -3.4631 -3.4631 -1.9574 -1.9574 -1.9573 -1.9573 -1.6696 -1.6696 -1.6693 -1.6693 6.1127 6.1127 6.1134 6.1134 6.3460 6.3460 6.3466 6.3466 7.4051 7.4051 7.4054 7.4054 k = 0.4853-0.0000 0.2570 ( 7574 PWs) bands (ev): -21.4974 -21.4974 -21.4974 -21.4974 -21.4698 -21.4698 -21.4698 -21.4698 -13.0510 -13.0510 -13.0509 -13.0509 -13.0217 -13.0217 -13.0216 -13.0216 -8.4603 -8.4603 -8.4601 -8.4601 -8.3070 -8.3070 -8.3068 -8.3068 -6.5909 -6.5909 -6.5908 -6.5908 -6.4126 -6.4126 -6.4124 -6.4124 -6.2627 -6.2627 -6.2626 -6.2626 -5.8757 -5.8757 -5.8757 -5.8757 -3.8185 -3.8185 -3.8184 -3.8184 -3.4698 -3.4698 -3.4696 -3.4696 -1.9556 -1.9556 -1.9556 -1.9556 -1.6711 -1.6711 -1.6709 -1.6709 6.1735 6.1735 6.1741 6.1741 6.2907 6.2907 6.2914 6.2914 7.4174 7.4174 7.4176 7.4176 k = 0.5000-0.0000 0.2570 ( 7576 PWs) bands (ev): -21.4840 -21.4840 -21.4840 -21.4840 -21.4833 -21.4833 -21.4833 -21.4833 -13.0497 -13.0497 -13.0497 -13.0497 -13.0229 -13.0229 -13.0229 -13.0229 -8.4592 -8.4592 -8.4592 -8.4592 -8.3081 -8.3081 -8.3081 -8.3081 -6.5908 -6.5908 -6.5908 -6.5908 -6.4127 -6.4127 -6.4127 -6.4127 -6.2627 -6.2627 -6.2627 -6.2627 -5.8757 -5.8757 -5.8757 -5.8757 -3.8166 -3.8166 -3.8166 -3.8166 -3.4719 -3.4719 -3.4719 -3.4719 -1.9550 -1.9550 -1.9550 -1.9550 -1.6715 -1.6715 -1.6715 -1.6715 6.2288 6.2288 6.2288 6.2288 6.2379 6.2379 6.2379 6.2379 7.4220 7.4220 7.4220 7.4220 k = 0.5000-0.0000 0.2570 ( 7576 PWs) bands (ev): -21.4840 -21.4840 -21.4840 -21.4840 -21.4833 -21.4833 -21.4833 -21.4833 -13.0497 -13.0497 -13.0497 -13.0497 -13.0229 -13.0229 -13.0229 -13.0229 -8.4592 -8.4592 -8.4592 -8.4592 -8.3081 -8.3081 -8.3081 -8.3081 -6.5908 -6.5908 -6.5908 -6.5908 -6.4127 -6.4127 -6.4127 -6.4127 -6.2627 -6.2627 -6.2627 -6.2627 -5.8757 -5.8757 -5.8757 -5.8757 -3.8166 -3.8166 -3.8166 -3.8166 -3.4719 -3.4719 -3.4719 -3.4719 -1.9550 -1.9550 -1.9550 -1.9550 -1.6715 -1.6715 -1.6715 -1.6715 6.2288 6.2288 6.2288 6.2288 6.2379 6.2379 6.2379 6.2379 7.4220 7.4220 7.4220 7.4220 k = 0.5000 0.0147 0.2570 ( 7580 PWs) bands (ev): -21.4839 -21.4839 -21.4839 -21.4839 -21.4833 -21.4833 -21.4833 -21.4833 -13.0499 -13.0499 -13.0499 -13.0499 -13.0230 -13.0230 -13.0230 -13.0230 -8.4589 -8.4589 -8.4589 -8.4589 -8.3081 -8.3081 -8.3081 -8.3081 -6.5909 -6.5909 -6.5908 -6.5908 -6.4132 -6.4132 -6.4129 -6.4129 -6.2625 -6.2625 -6.2622 -6.2622 -5.8762 -5.8762 -5.8761 -5.8761 -3.8160 -3.8160 -3.8160 -3.8160 -3.4720 -3.4720 -3.4719 -3.4719 -1.9545 -1.9545 -1.9544 -1.9544 -1.6714 -1.6714 -1.6713 -1.6713 6.2286 6.2286 6.2287 6.2287 6.2371 6.2371 6.2372 6.2372 7.4223 7.4223 7.4223 7.4223 k = 0.5000 0.0295 0.2570 ( 7584 PWs) bands (ev): -21.4839 -21.4839 -21.4839 -21.4839 -21.4832 -21.4832 -21.4832 -21.4832 -13.0502 -13.0502 -13.0502 -13.0502 -13.0235 -13.0235 -13.0235 -13.0235 -8.4582 -8.4582 -8.4581 -8.4581 -8.3079 -8.3079 -8.3079 -8.3079 -6.5910 -6.5910 -6.5908 -6.5908 -6.4145 -6.4145 -6.4139 -6.4139 -6.2617 -6.2617 -6.2611 -6.2611 -5.8776 -5.8776 -5.8776 -5.8776 -3.8140 -3.8140 -3.8140 -3.8140 -3.4720 -3.4720 -3.4719 -3.4719 -1.9527 -1.9527 -1.9526 -1.9526 -1.6709 -1.6709 -1.6708 -1.6708 6.2280 6.2280 6.2282 6.2282 6.2348 6.2348 6.2350 6.2350 7.4232 7.4232 7.4233 7.4233 k = 0.5000 0.0442 0.2570 ( 7584 PWs) bands (ev): -21.4838 -21.4838 -21.4838 -21.4838 -21.4832 -21.4832 -21.4832 -21.4832 -13.0509 -13.0509 -13.0509 -13.0509 -13.0244 -13.0244 -13.0243 -13.0243 -8.4568 -8.4568 -8.4567 -8.4567 -8.3076 -8.3076 -8.3076 -8.3076 -6.5911 -6.5911 -6.5909 -6.5909 -6.4164 -6.4164 -6.4156 -6.4156 -6.2603 -6.2603 -6.2594 -6.2594 -5.8799 -5.8799 -5.8799 -5.8799 -3.8108 -3.8108 -3.8108 -3.8108 -3.4721 -3.4721 -3.4719 -3.4719 -1.9498 -1.9498 -1.9496 -1.9496 -1.6700 -1.6700 -1.6700 -1.6700 6.2271 6.2271 6.2273 6.2273 6.2310 6.2310 6.2313 6.2313 7.4246 7.4246 7.4247 7.4247 k = 0.5000 0.0589 0.2570 ( 7576 PWs) bands (ev): -21.4837 -21.4837 -21.4837 -21.4837 -21.4830 -21.4830 -21.4830 -21.4830 -13.0517 -13.0517 -13.0517 -13.0517 -13.0255 -13.0255 -13.0254 -13.0254 -8.4550 -8.4550 -8.4548 -8.4548 -8.3073 -8.3073 -8.3071 -8.3071 -6.5912 -6.5912 -6.5910 -6.5910 -6.4192 -6.4192 -6.4181 -6.4181 -6.2583 -6.2583 -6.2571 -6.2571 -5.8831 -5.8831 -5.8831 -5.8831 -3.8063 -3.8063 -3.8062 -3.8062 -3.4722 -3.4722 -3.4719 -3.4719 -1.9457 -1.9457 -1.9454 -1.9454 -1.6688 -1.6688 -1.6688 -1.6688 6.2255 6.2255 6.2258 6.2258 6.2263 6.2263 6.2265 6.2265 7.4262 7.4262 7.4263 7.4263 k = 0.5000 0.0737 0.2570 ( 7580 PWs) bands (ev): -21.4836 -21.4836 -21.4836 -21.4836 -21.4829 -21.4829 -21.4829 -21.4829 -13.0529 -13.0529 -13.0528 -13.0528 -13.0269 -13.0269 -13.0269 -13.0269 -8.4526 -8.4526 -8.4524 -8.4524 -8.3068 -8.3068 -8.3066 -8.3066 -6.5915 -6.5915 -6.5912 -6.5912 -6.4226 -6.4226 -6.4213 -6.4213 -6.2557 -6.2557 -6.2543 -6.2543 -5.8872 -5.8872 -5.8871 -5.8871 -3.8006 -3.8006 -3.8005 -3.8005 -3.4723 -3.4723 -3.4720 -3.4720 -1.9405 -1.9405 -1.9401 -1.9401 -1.6673 -1.6673 -1.6672 -1.6672 6.2194 6.2194 6.2198 6.2198 6.2246 6.2246 6.2248 6.2248 7.4276 7.4276 7.4277 7.4277 k = 0.5000 0.0884 0.2570 ( 7596 PWs) bands (ev): -21.4834 -21.4834 -21.4834 -21.4834 -21.4828 -21.4828 -21.4828 -21.4828 -13.0542 -13.0542 -13.0542 -13.0542 -13.0286 -13.0286 -13.0286 -13.0286 -8.4498 -8.4498 -8.4495 -8.4495 -8.3062 -8.3062 -8.3060 -8.3060 -6.5918 -6.5918 -6.5914 -6.5914 -6.4267 -6.4267 -6.4252 -6.4252 -6.2525 -6.2525 -6.2509 -6.2509 -5.8920 -5.8920 -5.8920 -5.8920 -3.7938 -3.7938 -3.7937 -3.7937 -3.4725 -3.4725 -3.4721 -3.4721 -1.9341 -1.9341 -1.9337 -1.9337 -1.6655 -1.6655 -1.6654 -1.6654 6.2119 6.2119 6.2124 6.2124 6.2229 6.2229 6.2232 6.2232 7.4283 7.4283 7.4285 7.4285 k = 0.5000 0.1031 0.2570 ( 7596 PWs) bands (ev): -21.4832 -21.4832 -21.4832 -21.4832 -21.4826 -21.4826 -21.4826 -21.4826 -13.0557 -13.0557 -13.0557 -13.0557 -13.0306 -13.0306 -13.0306 -13.0306 -8.4464 -8.4464 -8.4461 -8.4461 -8.3055 -8.3055 -8.3053 -8.3053 -6.5921 -6.5921 -6.5917 -6.5917 -6.4314 -6.4314 -6.4298 -6.4298 -6.2487 -6.2487 -6.2470 -6.2470 -5.8976 -5.8976 -5.8975 -5.8975 -3.7859 -3.7859 -3.7859 -3.7859 -3.4727 -3.4727 -3.4723 -3.4723 -1.9267 -1.9267 -1.9263 -1.9263 -1.6633 -1.6633 -1.6632 -1.6632 6.2035 6.2035 6.2041 6.2041 6.2210 6.2210 6.2214 6.2214 7.4280 7.4280 7.4282 7.4282 k = 0.5000 0.1179 0.2570 ( 7592 PWs) bands (ev): -21.4830 -21.4830 -21.4830 -21.4830 -21.4823 -21.4823 -21.4823 -21.4823 -13.0575 -13.0575 -13.0574 -13.0574 -13.0329 -13.0329 -13.0329 -13.0329 -8.4426 -8.4426 -8.4423 -8.4423 -8.3047 -8.3047 -8.3045 -8.3045 -6.5925 -6.5925 -6.5921 -6.5921 -6.4367 -6.4367 -6.4350 -6.4350 -6.2445 -6.2445 -6.2425 -6.2425 -5.9038 -5.9038 -5.9037 -5.9037 -3.7771 -3.7771 -3.7771 -3.7771 -3.4730 -3.4730 -3.4725 -3.4725 -1.9183 -1.9183 -1.9178 -1.9178 -1.6609 -1.6609 -1.6608 -1.6608 6.1944 6.1944 6.1950 6.1950 6.2190 6.2190 6.2194 6.2194 7.4261 7.4261 7.4262 7.4262 k = 0.5000 0.1326 0.2570 ( 7584 PWs) bands (ev): -21.4827 -21.4827 -21.4827 -21.4827 -21.4821 -21.4821 -21.4821 -21.4821 -13.0594 -13.0594 -13.0593 -13.0593 -13.0353 -13.0353 -13.0353 -13.0353 -8.4383 -8.4383 -8.4380 -8.4380 -8.3038 -8.3038 -8.3035 -8.3035 -6.5930 -6.5930 -6.5925 -6.5925 -6.4426 -6.4426 -6.4408 -6.4408 -6.2397 -6.2397 -6.2376 -6.2376 -5.9105 -5.9105 -5.9105 -5.9105 -3.7674 -3.7674 -3.7674 -3.7674 -3.4733 -3.4733 -3.4728 -3.4728 -1.9089 -1.9089 -1.9083 -1.9083 -1.6581 -1.6581 -1.6580 -1.6580 6.1847 6.1847 6.1854 6.1854 6.2169 6.2169 6.2174 6.2174 7.4219 7.4219 7.4220 7.4220 k = 0.5000 0.1473 0.2570 ( 7588 PWs) bands (ev): -21.4824 -21.4824 -21.4824 -21.4824 -21.4818 -21.4818 -21.4818 -21.4818 -13.0614 -13.0614 -13.0614 -13.0614 -13.0381 -13.0381 -13.0380 -13.0380 -8.4337 -8.4337 -8.4333 -8.4333 -8.3028 -8.3028 -8.3026 -8.3026 -6.5936 -6.5936 -6.5930 -6.5930 -6.4490 -6.4490 -6.4472 -6.4472 -6.2345 -6.2345 -6.2324 -6.2324 -5.9178 -5.9178 -5.9178 -5.9178 -3.7570 -3.7570 -3.7570 -3.7570 -3.4737 -3.4737 -3.4731 -3.4731 -1.8986 -1.8986 -1.8980 -1.8980 -1.6552 -1.6552 -1.6550 -1.6550 6.1746 6.1746 6.1753 6.1753 6.2149 6.2149 6.2154 6.2154 7.4151 7.4151 7.4152 7.4152 k = 0.5000 0.1621 0.2570 ( 7604 PWs) bands (ev): -21.4822 -21.4822 -21.4822 -21.4822 -21.4816 -21.4816 -21.4816 -21.4816 -13.0636 -13.0636 -13.0636 -13.0636 -13.0410 -13.0410 -13.0409 -13.0409 -8.4287 -8.4287 -8.4283 -8.4283 -8.3018 -8.3018 -8.3016 -8.3016 -6.5942 -6.5942 -6.5937 -6.5937 -6.4559 -6.4559 -6.4540 -6.4540 -6.2289 -6.2289 -6.2267 -6.2267 -5.9255 -5.9255 -5.9255 -5.9255 -3.7460 -3.7460 -3.7459 -3.7459 -3.4742 -3.4742 -3.4736 -3.4736 -1.8874 -1.8874 -1.8868 -1.8868 -1.6520 -1.6520 -1.6518 -1.6518 6.1643 6.1643 6.1651 6.1651 6.2128 6.2128 6.2133 6.2133 7.4052 7.4052 7.4052 7.4052 k = 0.5000 0.1768 0.2570 ( 7604 PWs) bands (ev): -21.4818 -21.4818 -21.4818 -21.4818 -21.4813 -21.4813 -21.4813 -21.4813 -13.0659 -13.0659 -13.0659 -13.0659 -13.0440 -13.0440 -13.0440 -13.0440 -8.4233 -8.4233 -8.4229 -8.4229 -8.3008 -8.3008 -8.3005 -8.3005 -6.5950 -6.5950 -6.5944 -6.5944 -6.4632 -6.4632 -6.4613 -6.4613 -6.2229 -6.2229 -6.2207 -6.2207 -5.9335 -5.9335 -5.9335 -5.9335 -3.7344 -3.7344 -3.7344 -3.7344 -3.4748 -3.4748 -3.4741 -3.4741 -1.8755 -1.8755 -1.8748 -1.8748 -1.6486 -1.6486 -1.6484 -1.6484 6.1540 6.1540 6.1549 6.1549 6.2107 6.2107 6.2114 6.2114 7.3918 7.3918 7.3918 7.3918 k = 0.5000 0.1915 0.2570 ( 7608 PWs) bands (ev): -21.4815 -21.4815 -21.4815 -21.4815 -21.4810 -21.4810 -21.4810 -21.4810 -13.0683 -13.0683 -13.0683 -13.0683 -13.0472 -13.0472 -13.0472 -13.0472 -8.4177 -8.4177 -8.4172 -8.4172 -8.2997 -8.2997 -8.2994 -8.2994 -6.5958 -6.5958 -6.5953 -6.5953 -6.4709 -6.4709 -6.4690 -6.4690 -6.2166 -6.2166 -6.2144 -6.2144 -5.9418 -5.9418 -5.9417 -5.9417 -3.7224 -3.7224 -3.7224 -3.7224 -3.4754 -3.4754 -3.4748 -3.4748 -1.8629 -1.8629 -1.8622 -1.8622 -1.6450 -1.6450 -1.6448 -1.6448 6.1439 6.1439 6.1448 6.1448 6.2088 6.2088 6.2094 6.2094 7.3747 7.3747 7.3748 7.3748 k = 0.5000 0.2063 0.2570 ( 7604 PWs) bands (ev): -21.4812 -21.4812 -21.4812 -21.4812 -21.4807 -21.4807 -21.4807 -21.4807 -13.0707 -13.0707 -13.0707 -13.0707 -13.0505 -13.0505 -13.0505 -13.0505 -8.4117 -8.4117 -8.4113 -8.4113 -8.2987 -8.2987 -8.2983 -8.2983 -6.5968 -6.5968 -6.5962 -6.5962 -6.4788 -6.4788 -6.4769 -6.4769 -6.2101 -6.2101 -6.2078 -6.2078 -5.9502 -5.9502 -5.9501 -5.9501 -3.7101 -3.7101 -3.7101 -3.7101 -3.4762 -3.4762 -3.4755 -3.4755 -1.8497 -1.8497 -1.8490 -1.8490 -1.6413 -1.6413 -1.6411 -1.6411 6.1341 6.1341 6.1351 6.1351 6.2069 6.2069 6.2076 6.2076 7.3539 7.3539 7.3541 7.3541 k = 0.5000 0.2210 0.2570 ( 7620 PWs) bands (ev): -21.4809 -21.4809 -21.4809 -21.4809 -21.4804 -21.4804 -21.4804 -21.4804 -13.0732 -13.0732 -13.0732 -13.0732 -13.0539 -13.0539 -13.0538 -13.0538 -8.4056 -8.4056 -8.4051 -8.4051 -8.2976 -8.2976 -8.2972 -8.2972 -6.5978 -6.5978 -6.5972 -6.5972 -6.4870 -6.4870 -6.4851 -6.4851 -6.2033 -6.2033 -6.2010 -6.2010 -5.9588 -5.9588 -5.9586 -5.9586 -3.6977 -3.6977 -3.6976 -3.6976 -3.4772 -3.4772 -3.4765 -3.4765 -1.8360 -1.8360 -1.8353 -1.8353 -1.6375 -1.6375 -1.6373 -1.6373 6.1248 6.1248 6.1258 6.1258 6.2052 6.2052 6.2059 6.2059 7.3203 7.3203 7.3213 7.3213 k = 0.5000 0.2357 0.2570 ( 7596 PWs) bands (ev): -21.4805 -21.4805 -21.4805 -21.4805 -21.4800 -21.4800 -21.4800 -21.4800 -13.0757 -13.0757 -13.0756 -13.0756 -13.0573 -13.0573 -13.0572 -13.0572 -8.3992 -8.3992 -8.3987 -8.3987 -8.2966 -8.2966 -8.2962 -8.2962 -6.5989 -6.5989 -6.5983 -6.5983 -6.4953 -6.4953 -6.4935 -6.4935 -6.1964 -6.1964 -6.1941 -6.1941 -5.9673 -5.9673 -5.9671 -5.9671 -3.6851 -3.6851 -3.6850 -3.6850 -3.4782 -3.4782 -3.4775 -3.4775 -1.8219 -1.8219 -1.8212 -1.8212 -1.6338 -1.6338 -1.6335 -1.6335 6.1161 6.1161 6.1172 6.1172 6.2035 6.2035 6.2043 6.2043 7.2785 7.2785 7.2794 7.2794 k = 0.5000 0.2504 0.2570 ( 7584 PWs) bands (ev): -21.4802 -21.4802 -21.4802 -21.4802 -21.4797 -21.4797 -21.4797 -21.4797 -13.0781 -13.0781 -13.0781 -13.0781 -13.0607 -13.0607 -13.0606 -13.0606 -8.3927 -8.3927 -8.3922 -8.3922 -8.2956 -8.2956 -8.2952 -8.2952 -6.6000 -6.6000 -6.5995 -6.5995 -6.5037 -6.5037 -6.5019 -6.5019 -6.1893 -6.1893 -6.1870 -6.1870 -5.9759 -5.9759 -5.9756 -5.9756 -3.6726 -3.6726 -3.6725 -3.6725 -3.4794 -3.4794 -3.4786 -3.4786 -1.8075 -1.8075 -1.8068 -1.8068 -1.6300 -1.6300 -1.6298 -1.6298 6.1082 6.1082 6.1093 6.1093 6.2019 6.2019 6.2027 6.2027 7.2351 7.2351 7.2360 7.2360 k = 0.5000 0.2652 0.2570 ( 7588 PWs) bands (ev): -21.4798 -21.4798 -21.4798 -21.4798 -21.4794 -21.4794 -21.4794 -21.4794 -13.0805 -13.0805 -13.0805 -13.0805 -13.0641 -13.0641 -13.0641 -13.0641 -8.3861 -8.3861 -8.3856 -8.3856 -8.2948 -8.2948 -8.2943 -8.2943 -6.6012 -6.6012 -6.6007 -6.6007 -6.5121 -6.5121 -6.5104 -6.5104 -6.1822 -6.1822 -6.1799 -6.1799 -5.9843 -5.9843 -5.9840 -5.9840 -3.6601 -3.6601 -3.6600 -3.6600 -3.4807 -3.4807 -3.4800 -3.4800 -1.7930 -1.7930 -1.7922 -1.7922 -1.6264 -1.6264 -1.6261 -1.6261 6.1011 6.1011 6.1023 6.1023 6.2003 6.2003 6.2012 6.2012 7.1908 7.1908 7.1917 7.1917 k = 0.5000 0.2799 0.2570 ( 7576 PWs) bands (ev): -21.4795 -21.4795 -21.4795 -21.4795 -21.4791 -21.4791 -21.4791 -21.4791 -13.0828 -13.0828 -13.0828 -13.0828 -13.0675 -13.0675 -13.0674 -13.0674 -8.3795 -8.3795 -8.3789 -8.3789 -8.2940 -8.2940 -8.2935 -8.2935 -6.6023 -6.6023 -6.6019 -6.6019 -6.5205 -6.5205 -6.5188 -6.5188 -6.1750 -6.1750 -6.1727 -6.1727 -5.9927 -5.9927 -5.9923 -5.9923 -3.6479 -3.6479 -3.6478 -3.6478 -3.4823 -3.4823 -3.4816 -3.4816 -1.7783 -1.7783 -1.7775 -1.7775 -1.6229 -1.6229 -1.6227 -1.6227 6.0951 6.0951 6.0962 6.0962 6.1986 6.1986 6.1995 6.1995 7.1465 7.1465 7.1474 7.1474 k = 0.5000 0.2946 0.2570 ( 7580 PWs) bands (ev): -21.4792 -21.4792 -21.4792 -21.4792 -21.4788 -21.4788 -21.4788 -21.4788 -13.0850 -13.0850 -13.0850 -13.0850 -13.0708 -13.0708 -13.0707 -13.0707 -8.3729 -8.3729 -8.3723 -8.3723 -8.2934 -8.2934 -8.2929 -8.2929 -6.6035 -6.6035 -6.6031 -6.6031 -6.5287 -6.5287 -6.5272 -6.5272 -6.1678 -6.1678 -6.1655 -6.1655 -6.0009 -6.0009 -6.0004 -6.0004 -3.6359 -3.6359 -3.6358 -3.6358 -3.4840 -3.4840 -3.4833 -3.4833 -1.7637 -1.7637 -1.7630 -1.7630 -1.6198 -1.6198 -1.6195 -1.6195 6.0901 6.0901 6.0913 6.0913 6.1967 6.1967 6.1977 6.1977 7.1030 7.1030 7.1039 7.1039 k = 0.5000 0.3094 0.2570 ( 7576 PWs) bands (ev): -21.4788 -21.4788 -21.4788 -21.4788 -21.4785 -21.4785 -21.4785 -21.4785 -13.0871 -13.0871 -13.0871 -13.0871 -13.0740 -13.0740 -13.0739 -13.0739 -8.3663 -8.3663 -8.3657 -8.3657 -8.2930 -8.2930 -8.2925 -8.2925 -6.6045 -6.6045 -6.6042 -6.6042 -6.5368 -6.5368 -6.5353 -6.5353 -6.1605 -6.1605 -6.1584 -6.1584 -6.0089 -6.0089 -6.0084 -6.0084 -3.6242 -3.6242 -3.6241 -3.6241 -3.4860 -3.4860 -3.4853 -3.4853 -1.7493 -1.7493 -1.7485 -1.7485 -1.6169 -1.6169 -1.6166 -1.6166 6.0863 6.0863 6.0876 6.0876 6.1946 6.1946 6.1957 6.1957 7.0611 7.0611 7.0619 7.0619 k = 0.5000 0.3241 0.2570 ( 7564 PWs) bands (ev): -21.4785 -21.4785 -21.4785 -21.4785 -21.4782 -21.4782 -21.4782 -21.4782 -13.0891 -13.0891 -13.0890 -13.0890 -13.0770 -13.0770 -13.0770 -13.0770 -8.3598 -8.3598 -8.3591 -8.3591 -8.2928 -8.2928 -8.2923 -8.2923 -6.6055 -6.6055 -6.6052 -6.6052 -6.5447 -6.5447 -6.5432 -6.5432 -6.1534 -6.1534 -6.1512 -6.1512 -6.0167 -6.0167 -6.0161 -6.0161 -3.6130 -3.6130 -3.6128 -3.6128 -3.4882 -3.4882 -3.4875 -3.4875 -1.7351 -1.7351 -1.7344 -1.7344 -1.6145 -1.6145 -1.6141 -1.6141 6.0838 6.0838 6.0851 6.0851 6.1921 6.1921 6.1932 6.1932 7.0214 7.0214 7.0222 7.0222 k = 0.5000 0.3388 0.2570 ( 7568 PWs) bands (ev): -21.4783 -21.4783 -21.4783 -21.4783 -21.4780 -21.4780 -21.4780 -21.4780 -13.0908 -13.0908 -13.0908 -13.0908 -13.0799 -13.0799 -13.0799 -13.0799 -8.3534 -8.3534 -8.3528 -8.3528 -8.2929 -8.2929 -8.2923 -8.2923 -6.6063 -6.6063 -6.6061 -6.6061 -6.5522 -6.5522 -6.5508 -6.5508 -6.1463 -6.1463 -6.1442 -6.1442 -6.0243 -6.0243 -6.0237 -6.0237 -3.6021 -3.6021 -3.6020 -3.6020 -3.4906 -3.4906 -3.4900 -3.4900 -1.7214 -1.7214 -1.7206 -1.7206 -1.6125 -1.6125 -1.6122 -1.6122 6.0826 6.0826 6.0839 6.0839 6.1890 6.1890 6.1902 6.1902 6.9847 6.9847 6.9854 6.9854 k = 0.5000 0.3536 0.2570 ( 7564 PWs) bands (ev): -21.4780 -21.4780 -21.4780 -21.4780 -21.4777 -21.4777 -21.4777 -21.4777 -13.0924 -13.0924 -13.0924 -13.0924 -13.0827 -13.0827 -13.0826 -13.0826 -8.3472 -8.3472 -8.3465 -8.3465 -8.2932 -8.2932 -8.2926 -8.2926 -6.6069 -6.6069 -6.6068 -6.6068 -6.5594 -6.5594 -6.5581 -6.5581 -6.1392 -6.1392 -6.1372 -6.1372 -6.0318 -6.0318 -6.0310 -6.0310 -3.5918 -3.5918 -3.5916 -3.5916 -3.4933 -3.4933 -3.4927 -3.4927 -1.7081 -1.7081 -1.7073 -1.7073 -1.6112 -1.6112 -1.6108 -1.6108 6.0827 6.0827 6.0841 6.0841 6.1853 6.1853 6.1866 6.1866 6.9515 6.9515 6.9521 6.9521 k = 0.5000 0.3683 0.2570 ( 7564 PWs) bands (ev): -21.4778 -21.4778 -21.4778 -21.4778 -21.4775 -21.4775 -21.4775 -21.4775 -13.0938 -13.0938 -13.0937 -13.0937 -13.0852 -13.0852 -13.0852 -13.0852 -8.3412 -8.3412 -8.3406 -8.3406 -8.2938 -8.2938 -8.2932 -8.2932 -6.6073 -6.6073 -6.6072 -6.6072 -6.5662 -6.5662 -6.5650 -6.5650 -6.1323 -6.1323 -6.1303 -6.1303 -6.0390 -6.0390 -6.0381 -6.0381 -3.5819 -3.5819 -3.5817 -3.5817 -3.4964 -3.4964 -3.4958 -3.4958 -1.6953 -1.6953 -1.6946 -1.6946 -1.6105 -1.6105 -1.6101 -1.6101 6.0843 6.0843 6.0857 6.0857 6.1808 6.1808 6.1821 6.1821 6.9223 6.9223 6.9229 6.9229 k = 0.5000 0.3830 0.2570 ( 7576 PWs) bands (ev): -21.4775 -21.4775 -21.4775 -21.4775 -21.4774 -21.4774 -21.4774 -21.4774 -13.0949 -13.0949 -13.0949 -13.0949 -13.0876 -13.0876 -13.0875 -13.0875 -8.3355 -8.3355 -8.3348 -8.3348 -8.2947 -8.2947 -8.2941 -8.2941 -6.6074 -6.6074 -6.6074 -6.6074 -6.5725 -6.5725 -6.5714 -6.5714 -6.1254 -6.1254 -6.1235 -6.1235 -6.0460 -6.0460 -6.0451 -6.0451 -3.5726 -3.5726 -3.5723 -3.5723 -3.4997 -3.4997 -3.4991 -3.4991 -1.6833 -1.6833 -1.6826 -1.6826 -1.6105 -1.6105 -1.6101 -1.6101 6.0872 6.0872 6.0886 6.0886 6.1754 6.1754 6.1768 6.1768 6.8977 6.8977 6.8982 6.8982 k = 0.5000 0.3978 0.2570 ( 7568 PWs) bands (ev): -21.4774 -21.4774 -21.4774 -21.4774 -21.4772 -21.4772 -21.4772 -21.4772 -13.0958 -13.0958 -13.0958 -13.0958 -13.0897 -13.0897 -13.0896 -13.0896 -8.3301 -8.3301 -8.3294 -8.3294 -8.2960 -8.2960 -8.2954 -8.2954 -6.6072 -6.6072 -6.6071 -6.6071 -6.5783 -6.5783 -6.5773 -6.5773 -6.1187 -6.1187 -6.1168 -6.1168 -6.0529 -6.0529 -6.0519 -6.0519 -3.5637 -3.5637 -3.5635 -3.5635 -3.5033 -3.5033 -3.5028 -3.5028 -1.6721 -1.6721 -1.6714 -1.6714 -1.6114 -1.6114 -1.6109 -1.6109 6.0914 6.0914 6.0929 6.0929 6.1691 6.1691 6.1705 6.1705 6.8779 6.8779 6.8783 6.8783 k = 0.5000 0.4125 0.2570 ( 7572 PWs) bands (ev): -21.4772 -21.4772 -21.4772 -21.4772 -21.4771 -21.4771 -21.4771 -21.4771 -13.0965 -13.0965 -13.0964 -13.0964 -13.0915 -13.0915 -13.0915 -13.0915 -8.3249 -8.3249 -8.3243 -8.3243 -8.2976 -8.2976 -8.2970 -8.2970 -6.6066 -6.6066 -6.6064 -6.6064 -6.5837 -6.5837 -6.5827 -6.5827 -6.1120 -6.1120 -6.1102 -6.1102 -6.0597 -6.0597 -6.0585 -6.0585 -3.5555 -3.5555 -3.5552 -3.5552 -3.5074 -3.5074 -3.5069 -3.5069 -1.6616 -1.6616 -1.6610 -1.6610 -1.6130 -1.6130 -1.6126 -1.6126 6.0968 6.0968 6.0983 6.0983 6.1619 6.1619 6.1634 6.1634 6.8632 6.8632 6.8635 6.8635 k = 0.5000 0.4272 0.2570 ( 7572 PWs) bands (ev): -21.4771 -21.4771 -21.4771 -21.4771 -21.4770 -21.4770 -21.4770 -21.4770 -13.0969 -13.0969 -13.0968 -13.0968 -13.0931 -13.0931 -13.0931 -13.0931 -8.3202 -8.3202 -8.3195 -8.3195 -8.2996 -8.2996 -8.2990 -8.2990 -6.6055 -6.6055 -6.6053 -6.6053 -6.5884 -6.5884 -6.5876 -6.5876 -6.1054 -6.1054 -6.1037 -6.1037 -6.0663 -6.0663 -6.0651 -6.0651 -3.5477 -3.5477 -3.5474 -3.5474 -3.5118 -3.5118 -3.5113 -3.5113 -1.6521 -1.6521 -1.6515 -1.6515 -1.6157 -1.6157 -1.6152 -1.6152 6.1033 6.1033 6.1049 6.1049 6.1540 6.1540 6.1556 6.1556 6.8536 6.8536 6.8539 6.8539 k = 0.5000 0.4420 0.2570 ( 7564 PWs) bands (ev): -21.4770 -21.4770 -21.4770 -21.4770 -21.4769 -21.4769 -21.4769 -21.4769 -13.0969 -13.0969 -13.0969 -13.0969 -13.0945 -13.0945 -13.0944 -13.0944 -8.3158 -8.3158 -8.3151 -8.3151 -8.3021 -8.3021 -8.3014 -8.3014 -6.6040 -6.6040 -6.6036 -6.6036 -6.5927 -6.5927 -6.5919 -6.5919 -6.0988 -6.0988 -6.0972 -6.0972 -6.0729 -6.0729 -6.0716 -6.0716 -3.5405 -3.5405 -3.5402 -3.5402 -3.5166 -3.5166 -3.5162 -3.5162 -1.6435 -1.6435 -1.6429 -1.6429 -1.6192 -1.6192 -1.6187 -1.6187 6.1108 6.1108 6.1124 6.1124 6.1455 6.1455 6.1471 6.1471 6.8492 6.8492 6.8494 6.8494 k = 0.5000 0.4567 0.2570 ( 7572 PWs) bands (ev): -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -13.0967 -13.0967 -13.0967 -13.0967 -13.0955 -13.0955 -13.0955 -13.0955 -8.3117 -8.3117 -8.3111 -8.3111 -8.3049 -8.3049 -8.3042 -8.3042 -6.6020 -6.6020 -6.6015 -6.6015 -6.5963 -6.5963 -6.5957 -6.5957 -6.0923 -6.0923 -6.0908 -6.0908 -6.0794 -6.0794 -6.0780 -6.0780 -3.5338 -3.5338 -3.5334 -3.5334 -3.5218 -3.5218 -3.5214 -3.5214 -1.6360 -1.6360 -1.6353 -1.6353 -1.6238 -1.6238 -1.6232 -1.6232 6.1190 6.1190 6.1206 6.1206 6.1367 6.1367 6.1383 6.1383 6.8497 6.8497 6.8499 6.8499 k = 0.5000 0.4714 0.2570 ( 7568 PWs) bands (ev): -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -13.0963 -13.0963 -13.0963 -13.0963 -13.0962 -13.0962 -13.0962 -13.0962 -8.3082 -8.3082 -8.3080 -8.3080 -8.3075 -8.3075 -8.3074 -8.3074 -6.5999 -6.5999 -6.5991 -6.5991 -6.5990 -6.5990 -6.5986 -6.5986 -6.0862 -6.0862 -6.0855 -6.0855 -6.0848 -6.0848 -6.0840 -6.0840 -3.5280 -3.5280 -3.5275 -3.5275 -3.5272 -3.5272 -3.5269 -3.5269 -1.6296 -1.6296 -1.6291 -1.6291 -1.6290 -1.6290 -1.6286 -1.6286 6.1275 6.1275 6.1280 6.1280 6.1292 6.1292 6.1295 6.1295 6.8550 6.8550 6.8552 6.8552 k = 0.5000 0.4714 0.2570 ( 7568 PWs) bands (ev): -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -13.0963 -13.0963 -13.0963 -13.0963 -13.0962 -13.0962 -13.0962 -13.0962 -8.3082 -8.3082 -8.3080 -8.3080 -8.3075 -8.3075 -8.3074 -8.3074 -6.5999 -6.5999 -6.5991 -6.5991 -6.5990 -6.5990 -6.5986 -6.5986 -6.0862 -6.0862 -6.0855 -6.0855 -6.0848 -6.0848 -6.0840 -6.0840 -3.5280 -3.5280 -3.5275 -3.5275 -3.5272 -3.5272 -3.5269 -3.5269 -1.6296 -1.6296 -1.6291 -1.6291 -1.6290 -1.6290 -1.6286 -1.6286 6.1275 6.1275 6.1280 6.1280 6.1292 6.1292 6.1295 6.1295 6.8550 6.8550 6.8552 6.8552 k = 0.4853 0.4714 0.2570 ( 7568 PWs) bands (ev): -21.4904 -21.4904 -21.4904 -21.4904 -21.4633 -21.4633 -21.4633 -21.4633 -13.0967 -13.0967 -13.0967 -13.0967 -13.0958 -13.0958 -13.0958 -13.0958 -8.3243 -8.3243 -8.3241 -8.3241 -8.2914 -8.2914 -8.2912 -8.2912 -6.6069 -6.6069 -6.6063 -6.6063 -6.5918 -6.5918 -6.5911 -6.5911 -6.0868 -6.0868 -6.0861 -6.0861 -6.0842 -6.0842 -6.0834 -6.0834 -3.5564 -3.5564 -3.5557 -3.5557 -3.4987 -3.4987 -3.4980 -3.4980 -1.6388 -1.6388 -1.6384 -1.6384 -1.6199 -1.6199 -1.6195 -1.6195 6.0893 6.0893 6.0897 6.0897 6.1628 6.1628 6.1632 6.1632 6.8274 6.8274 6.8276 6.8276 k = 0.4706 0.4714 0.2570 ( 7576 PWs) bands (ev): -21.5039 -21.5039 -21.5039 -21.5039 -21.4498 -21.4498 -21.4498 -21.4498 -13.0972 -13.0972 -13.0972 -13.0972 -13.0955 -13.0955 -13.0955 -13.0955 -8.3405 -8.3405 -8.3404 -8.3404 -8.2748 -8.2748 -8.2746 -8.2746 -6.6141 -6.6141 -6.6135 -6.6135 -6.5839 -6.5839 -6.5832 -6.5832 -6.0877 -6.0877 -6.0870 -6.0870 -6.0831 -6.0831 -6.0824 -6.0824 -3.5847 -3.5847 -3.5840 -3.5840 -3.4695 -3.4695 -3.4688 -3.4688 -1.6484 -1.6484 -1.6480 -1.6480 -1.6107 -1.6107 -1.6102 -1.6102 6.0468 6.0468 6.0472 6.0472 6.1911 6.1911 6.1915 6.1915 6.8039 6.8039 6.8041 6.8041 k = 0.4559 0.4714 0.2570 ( 7568 PWs) bands (ev): -21.5173 -21.5173 -21.5173 -21.5173 -21.4362 -21.4362 -21.4362 -21.4362 -13.0977 -13.0977 -13.0977 -13.0977 -13.0952 -13.0952 -13.0951 -13.0951 -8.3567 -8.3567 -8.3565 -8.3565 -8.2582 -8.2582 -8.2580 -8.2580 -6.6211 -6.6211 -6.6204 -6.6204 -6.5758 -6.5758 -6.5750 -6.5750 -6.0887 -6.0887 -6.0880 -6.0880 -6.0819 -6.0819 -6.0812 -6.0812 -3.6125 -3.6125 -3.6118 -3.6118 -3.4400 -3.4400 -3.4393 -3.4393 -1.6581 -1.6581 -1.6577 -1.6577 -1.6016 -1.6016 -1.6012 -1.6012 6.0018 6.0018 6.0022 6.0022 6.2114 6.2114 6.2118 6.2118 6.7864 6.7864 6.7866 6.7866 k = 0.4412 0.4714 0.2570 ( 7564 PWs) bands (ev): -21.5306 -21.5306 -21.5306 -21.5306 -21.4227 -21.4227 -21.4227 -21.4227 -13.0983 -13.0983 -13.0983 -13.0983 -13.0949 -13.0949 -13.0949 -13.0949 -8.3726 -8.3726 -8.3724 -8.3724 -8.2415 -8.2415 -8.2413 -8.2413 -6.6278 -6.6278 -6.6271 -6.6271 -6.5674 -6.5674 -6.5666 -6.5666 -6.0898 -6.0898 -6.0890 -6.0890 -6.0806 -6.0806 -6.0799 -6.0799 -3.6398 -3.6398 -3.6391 -3.6391 -3.4104 -3.4104 -3.4097 -3.4097 -1.6679 -1.6679 -1.6675 -1.6675 -1.5927 -1.5927 -1.5923 -1.5923 5.9550 5.9550 5.9553 5.9553 6.2219 6.2219 6.2224 6.2224 6.7767 6.7767 6.7769 6.7769 k = 0.4265 0.4714 0.2570 ( 7552 PWs) bands (ev): -21.5437 -21.5437 -21.5437 -21.5437 -21.4094 -21.4094 -21.4094 -21.4094 -13.0989 -13.0989 -13.0989 -13.0989 -13.0947 -13.0947 -13.0947 -13.0947 -8.3883 -8.3883 -8.3882 -8.3882 -8.2249 -8.2249 -8.2246 -8.2246 -6.6342 -6.6342 -6.6336 -6.6336 -6.5588 -6.5588 -6.5580 -6.5580 -6.0909 -6.0909 -6.0901 -6.0901 -6.0792 -6.0792 -6.0785 -6.0785 -3.6665 -3.6665 -3.6658 -3.6658 -3.3807 -3.3807 -3.3800 -3.3800 -1.6777 -1.6777 -1.6773 -1.6773 -1.5840 -1.5840 -1.5836 -1.5836 5.9068 5.9068 5.9071 5.9071 6.2214 6.2214 6.2219 6.2219 6.7761 6.7761 6.7764 6.7764 k = 0.4118 0.4714 0.2570 ( 7556 PWs) bands (ev): -21.5567 -21.5567 -21.5567 -21.5567 -21.3961 -21.3961 -21.3961 -21.3961 -13.0995 -13.0995 -13.0995 -13.0995 -13.0945 -13.0945 -13.0945 -13.0945 -8.4039 -8.4039 -8.4037 -8.4037 -8.2082 -8.2082 -8.2080 -8.2080 -6.6405 -6.6405 -6.6399 -6.6399 -6.5499 -6.5499 -6.5491 -6.5491 -6.0920 -6.0920 -6.0913 -6.0913 -6.0777 -6.0777 -6.0770 -6.0770 -3.6925 -3.6925 -3.6919 -3.6919 -3.3511 -3.3511 -3.3504 -3.3504 -1.6875 -1.6875 -1.6872 -1.6872 -1.5756 -1.5756 -1.5751 -1.5751 5.8577 5.8577 5.8580 5.8580 6.2096 6.2096 6.2101 6.2101 6.7851 6.7851 6.7853 6.7853 k = 0.3971 0.4714 0.2570 ( 7568 PWs) bands (ev): -21.5695 -21.5695 -21.5695 -21.5695 -21.3830 -21.3830 -21.3830 -21.3830 -13.1002 -13.1002 -13.1001 -13.1001 -13.0944 -13.0944 -13.0944 -13.0944 -8.4192 -8.4192 -8.4190 -8.4190 -8.1916 -8.1916 -8.1914 -8.1914 -6.6465 -6.6465 -6.6459 -6.6459 -6.5409 -6.5409 -6.5401 -6.5401 -6.0932 -6.0932 -6.0925 -6.0925 -6.0761 -6.0761 -6.0755 -6.0755 -3.7179 -3.7179 -3.7173 -3.7173 -3.3216 -3.3216 -3.3209 -3.3209 -1.6973 -1.6973 -1.6970 -1.6970 -1.5674 -1.5674 -1.5669 -1.5669 5.8080 5.8080 5.8082 5.8082 6.1876 6.1876 6.1880 6.1880 6.8026 6.8026 6.8029 6.8029 k = 0.3824 0.4714 0.2570 ( 7584 PWs) bands (ev): -21.5821 -21.5821 -21.5821 -21.5821 -21.3701 -21.3701 -21.3701 -21.3701 -13.1008 -13.1008 -13.1008 -13.1008 -13.0944 -13.0944 -13.0944 -13.0944 -8.4342 -8.4342 -8.4340 -8.4340 -8.1752 -8.1752 -8.1749 -8.1749 -6.6523 -6.6523 -6.6518 -6.6518 -6.5317 -6.5317 -6.5309 -6.5309 -6.0945 -6.0945 -6.0938 -6.0938 -6.0744 -6.0744 -6.0738 -6.0738 -3.7425 -3.7425 -3.7419 -3.7419 -3.2923 -3.2923 -3.2916 -3.2916 -1.7071 -1.7071 -1.7067 -1.7067 -1.5595 -1.5595 -1.5590 -1.5590 5.7579 5.7579 5.7582 5.7582 6.1568 6.1568 6.1573 6.1573 6.8273 6.8273 6.8275 6.8275 k = 0.3676 0.4714 0.2570 ( 7580 PWs) bands (ev): -21.5944 -21.5944 -21.5944 -21.5944 -21.3574 -21.3574 -21.3574 -21.3574 -13.1014 -13.1014 -13.1014 -13.1014 -13.0944 -13.0944 -13.0944 -13.0944 -8.4489 -8.4489 -8.4488 -8.4488 -8.1588 -8.1588 -8.1586 -8.1586 -6.6580 -6.6580 -6.6574 -6.6574 -6.5223 -6.5223 -6.5214 -6.5214 -6.0959 -6.0959 -6.0951 -6.0951 -6.0726 -6.0726 -6.0720 -6.0720 -3.7663 -3.7663 -3.7657 -3.7657 -3.2632 -3.2632 -3.2625 -3.2625 -1.7168 -1.7168 -1.7165 -1.7165 -1.5518 -1.5518 -1.5513 -1.5513 5.7078 5.7078 5.7080 5.7080 6.1194 6.1194 6.1198 6.1198 6.8573 6.8573 6.8575 6.8575 k = 0.3529 0.4714 0.2570 ( 7584 PWs) bands (ev): -21.6065 -21.6065 -21.6065 -21.6065 -21.3449 -21.3449 -21.3449 -21.3449 -13.1021 -13.1021 -13.1021 -13.1021 -13.0944 -13.0944 -13.0944 -13.0944 -8.4634 -8.4634 -8.4632 -8.4632 -8.1425 -8.1425 -8.1423 -8.1423 -6.6634 -6.6634 -6.6629 -6.6629 -6.5127 -6.5127 -6.5119 -6.5119 -6.0974 -6.0974 -6.0966 -6.0966 -6.0707 -6.0707 -6.0701 -6.0701 -3.7893 -3.7893 -3.7887 -3.7887 -3.2344 -3.2344 -3.2337 -3.2337 -1.7264 -1.7264 -1.7261 -1.7261 -1.5444 -1.5444 -1.5439 -1.5439 5.6578 5.6578 5.6580 5.6580 6.0768 6.0768 6.0772 6.0772 6.8911 6.8911 6.8913 6.8913 k = 0.3382 0.4714 0.2570 ( 7584 PWs) bands (ev): -21.6182 -21.6182 -21.6182 -21.6182 -21.3327 -21.3327 -21.3327 -21.3327 -13.1027 -13.1027 -13.1027 -13.1027 -13.0946 -13.0946 -13.0945 -13.0945 -8.4775 -8.4775 -8.4773 -8.4773 -8.1265 -8.1265 -8.1263 -8.1263 -6.6687 -6.6687 -6.6682 -6.6682 -6.5030 -6.5030 -6.5022 -6.5022 -6.0991 -6.0991 -6.0983 -6.0983 -6.0686 -6.0686 -6.0681 -6.0681 -3.8114 -3.8114 -3.8108 -3.8108 -3.2060 -3.2060 -3.2053 -3.2053 -1.7359 -1.7359 -1.7356 -1.7356 -1.5373 -1.5373 -1.5368 -1.5368 5.6081 5.6081 5.6084 5.6084 6.0306 6.0306 6.0310 6.0310 6.9274 6.9274 6.9276 6.9276 k = 0.3235 0.4714 0.2570 ( 7592 PWs) bands (ev): -21.6297 -21.6297 -21.6297 -21.6297 -21.3207 -21.3207 -21.3207 -21.3207 -13.1033 -13.1033 -13.1033 -13.1033 -13.0947 -13.0947 -13.0947 -13.0947 -8.4912 -8.4912 -8.4911 -8.4911 -8.1106 -8.1106 -8.1104 -8.1104 -6.6737 -6.6737 -6.6733 -6.6733 -6.4933 -6.4933 -6.4924 -6.4924 -6.1008 -6.1008 -6.1000 -6.1000 -6.0665 -6.0665 -6.0660 -6.0660 -3.8326 -3.8326 -3.8320 -3.8320 -3.1781 -3.1781 -3.1775 -3.1775 -1.7452 -1.7452 -1.7449 -1.7449 -1.5305 -1.5305 -1.5300 -1.5300 5.5590 5.5590 5.5592 5.5592 5.9819 5.9819 5.9822 5.9822 6.9654 6.9654 6.9655 6.9655 k = 0.3088 0.4714 0.2570 ( 7592 PWs) bands (ev): -21.6408 -21.6408 -21.6408 -21.6408 -21.3091 -21.3091 -21.3091 -21.3091 -13.1040 -13.1040 -13.1039 -13.1039 -13.0949 -13.0949 -13.0949 -13.0949 -8.5046 -8.5046 -8.5045 -8.5045 -8.0951 -8.0951 -8.0949 -8.0949 -6.6787 -6.6787 -6.6782 -6.6782 -6.4834 -6.4834 -6.4825 -6.4825 -6.1028 -6.1028 -6.1020 -6.1020 -6.0643 -6.0643 -6.0638 -6.0638 -3.8528 -3.8528 -3.8523 -3.8523 -3.1508 -3.1508 -3.1501 -3.1501 -1.7544 -1.7544 -1.7541 -1.7541 -1.5240 -1.5240 -1.5235 -1.5235 5.5105 5.5105 5.5108 5.5108 5.9315 5.9315 5.9318 5.9318 7.0041 7.0041 7.0043 7.0043 k = 0.2941 0.4714 0.2570 ( 7592 PWs) bands (ev): -21.6515 -21.6515 -21.6515 -21.6515 -21.2978 -21.2978 -21.2978 -21.2978 -13.1046 -13.1046 -13.1045 -13.1045 -13.0952 -13.0952 -13.0952 -13.0952 -8.5176 -8.5176 -8.5174 -8.5174 -8.0798 -8.0798 -8.0796 -8.0796 -6.6834 -6.6834 -6.6830 -6.6830 -6.4735 -6.4735 -6.4726 -6.4726 -6.1048 -6.1048 -6.1040 -6.1040 -6.0620 -6.0620 -6.0615 -6.0615 -3.8721 -3.8721 -3.8716 -3.8716 -3.1241 -3.1241 -3.1234 -3.1234 -1.7634 -1.7634 -1.7631 -1.7631 -1.5178 -1.5178 -1.5174 -1.5174 5.4630 5.4630 5.4632 5.4632 5.8802 5.8802 5.8804 5.8804 7.0431 7.0431 7.0433 7.0433 k = 0.2794 0.4714 0.2570 ( 7588 PWs) bands (ev): -21.6619 -21.6619 -21.6619 -21.6619 -21.2869 -21.2869 -21.2869 -21.2869 -13.1051 -13.1051 -13.1051 -13.1051 -13.0955 -13.0955 -13.0955 -13.0955 -8.5301 -8.5301 -8.5300 -8.5300 -8.0649 -8.0649 -8.0647 -8.0647 -6.6880 -6.6880 -6.6876 -6.6876 -6.4635 -6.4635 -6.4627 -6.4627 -6.1071 -6.1071 -6.1063 -6.1063 -6.0596 -6.0596 -6.0592 -6.0592 -3.8904 -3.8904 -3.8899 -3.8899 -3.0980 -3.0980 -3.0974 -3.0974 -1.7721 -1.7721 -1.7719 -1.7719 -1.5119 -1.5119 -1.5115 -1.5115 5.4165 5.4165 5.4167 5.4167 5.8285 5.8285 5.8288 5.8288 7.0820 7.0820 7.0821 7.0821 k = 0.2647 0.4714 0.2570 ( 7600 PWs) bands (ev): -21.6718 -21.6718 -21.6718 -21.6718 -21.2764 -21.2764 -21.2764 -21.2764 -13.1057 -13.1057 -13.1057 -13.1057 -13.0958 -13.0958 -13.0958 -13.0958 -8.5422 -8.5422 -8.5420 -8.5420 -8.0503 -8.0503 -8.0501 -8.0501 -6.6924 -6.6924 -6.6920 -6.6920 -6.4536 -6.4536 -6.4527 -6.4527 -6.1095 -6.1095 -6.1087 -6.1087 -6.0573 -6.0573 -6.0568 -6.0568 -3.9077 -3.9077 -3.9072 -3.9072 -3.0728 -3.0728 -3.0722 -3.0722 -1.7806 -1.7806 -1.7804 -1.7804 -1.5064 -1.5064 -1.5060 -1.5060 5.3712 5.3712 5.3714 5.3714 5.7771 5.7771 5.7773 5.7773 7.1202 7.1202 7.1203 7.1203 k = 0.2500 0.4714 0.2570 ( 7608 PWs) bands (ev): -21.6813 -21.6813 -21.6813 -21.6813 -21.2664 -21.2664 -21.2664 -21.2664 -13.1062 -13.1062 -13.1062 -13.1062 -13.0962 -13.0962 -13.0962 -13.0962 -8.5538 -8.5538 -8.5537 -8.5537 -8.0362 -8.0362 -8.0360 -8.0360 -6.6966 -6.6966 -6.6963 -6.6963 -6.4438 -6.4438 -6.4429 -6.4429 -6.1120 -6.1120 -6.1112 -6.1112 -6.0549 -6.0549 -6.0544 -6.0544 -3.9239 -3.9239 -3.9235 -3.9235 -3.0484 -3.0484 -3.0478 -3.0478 -1.7889 -1.7889 -1.7887 -1.7887 -1.5012 -1.5012 -1.5008 -1.5008 5.3273 5.3273 5.3275 5.3275 5.7263 5.7263 5.7265 5.7265 7.1575 7.1575 7.1576 7.1576 k = 0.2353 0.4714 0.2570 ( 7612 PWs) bands (ev): -21.6904 -21.6904 -21.6904 -21.6904 -21.2567 -21.2567 -21.2567 -21.2567 -13.1067 -13.1067 -13.1067 -13.1067 -13.0965 -13.0965 -13.0965 -13.0965 -8.5649 -8.5649 -8.5648 -8.5648 -8.0226 -8.0226 -8.0224 -8.0224 -6.7007 -6.7007 -6.7004 -6.7004 -6.4340 -6.4340 -6.4331 -6.4331 -6.1147 -6.1147 -6.1139 -6.1139 -6.0525 -6.0525 -6.0521 -6.0521 -3.9392 -3.9392 -3.9387 -3.9387 -3.0250 -3.0250 -3.0244 -3.0244 -1.7968 -1.7968 -1.7966 -1.7966 -1.4964 -1.4964 -1.4960 -1.4960 5.2850 5.2850 5.2851 5.2851 5.6765 5.6765 5.6767 5.6767 7.1937 7.1937 7.1938 7.1938 k = 0.2206 0.4714 0.2570 ( 7612 PWs) bands (ev): -21.6991 -21.6991 -21.6991 -21.6991 -21.2476 -21.2476 -21.2476 -21.2476 -13.1072 -13.1072 -13.1072 -13.1072 -13.0969 -13.0969 -13.0969 -13.0969 -8.5754 -8.5754 -8.5753 -8.5753 -8.0095 -8.0095 -8.0093 -8.0093 -6.7046 -6.7046 -6.7043 -6.7043 -6.4243 -6.4243 -6.4234 -6.4234 -6.1176 -6.1176 -6.1168 -6.1168 -6.0500 -6.0500 -6.0497 -6.0497 -3.9534 -3.9534 -3.9530 -3.9530 -3.0025 -3.0025 -3.0020 -3.0020 -1.8044 -1.8044 -1.8042 -1.8042 -1.4918 -1.4918 -1.4914 -1.4914 5.2443 5.2443 5.2445 5.2445 5.6282 5.6282 5.6283 5.6283 7.2284 7.2284 7.2285 7.2285 k = 0.2059 0.4714 0.2570 ( 7608 PWs) bands (ev): -21.7072 -21.7072 -21.7072 -21.7072 -21.2389 -21.2389 -21.2389 -21.2389 -13.1076 -13.1076 -13.1076 -13.1076 -13.0973 -13.0973 -13.0973 -13.0973 -8.5854 -8.5854 -8.5853 -8.5853 -7.9969 -7.9969 -7.9967 -7.9967 -6.7083 -6.7083 -6.7080 -6.7080 -6.4148 -6.4148 -6.4139 -6.4139 -6.1206 -6.1206 -6.1198 -6.1198 -6.0477 -6.0477 -6.0473 -6.0473 -3.9665 -3.9665 -3.9662 -3.9662 -2.9811 -2.9811 -2.9806 -2.9806 -1.8116 -1.8116 -1.8114 -1.8114 -1.4876 -1.4876 -1.4872 -1.4872 5.2055 5.2055 5.2057 5.2057 5.5815 5.5815 5.5817 5.5817 7.2616 7.2616 7.2616 7.2616 k = 0.1912 0.4714 0.2570 ( 7624 PWs) bands (ev): -21.7149 -21.7149 -21.7149 -21.7149 -21.2307 -21.2307 -21.2307 -21.2307 -13.1081 -13.1081 -13.1081 -13.1081 -13.0977 -13.0977 -13.0977 -13.0977 -8.5949 -8.5949 -8.5948 -8.5948 -7.9850 -7.9850 -7.9848 -7.9848 -6.7118 -6.7118 -6.7115 -6.7115 -6.4055 -6.4055 -6.4046 -6.4046 -6.1237 -6.1237 -6.1230 -6.1230 -6.0454 -6.0454 -6.0451 -6.0451 -3.9787 -3.9787 -3.9784 -3.9784 -2.9609 -2.9609 -2.9604 -2.9604 -1.8185 -1.8185 -1.8183 -1.8183 -1.4837 -1.4837 -1.4834 -1.4834 5.1687 5.1687 5.1689 5.1689 5.5368 5.5368 5.5370 5.5370 7.2929 7.2929 7.2929 7.2930 k = 0.1765 0.4714 0.2570 ( 7624 PWs) bands (ev): -21.7220 -21.7220 -21.7220 -21.7220 -21.2230 -21.2230 -21.2230 -21.2230 -13.1084 -13.1084 -13.1084 -13.1084 -13.0981 -13.0981 -13.0981 -13.0981 -8.6037 -8.6037 -8.6036 -8.6036 -7.9737 -7.9737 -7.9736 -7.9736 -6.7151 -6.7151 -6.7149 -6.7149 -6.3964 -6.3964 -6.3956 -6.3956 -6.1270 -6.1270 -6.1262 -6.1262 -6.0432 -6.0432 -6.0429 -6.0429 -3.9899 -3.9899 -3.9896 -3.9896 -2.9418 -2.9418 -2.9414 -2.9414 -1.8249 -1.8249 -1.8248 -1.8248 -1.4801 -1.4801 -1.4798 -1.4798 5.1340 5.1340 5.1342 5.1342 5.4944 5.4944 5.4946 5.4946 7.3178 7.3178 7.3179 7.3223 k = 0.1618 0.4714 0.2570 ( 7636 PWs) bands (ev): -21.7286 -21.7286 -21.7286 -21.7286 -21.2159 -21.2159 -21.2159 -21.2159 -13.1088 -13.1088 -13.1088 -13.1088 -13.0986 -13.0986 -13.0986 -13.0986 -8.6119 -8.6119 -8.6118 -8.6118 -7.9632 -7.9632 -7.9630 -7.9630 -6.7182 -6.7182 -6.7180 -6.7180 -6.3876 -6.3876 -6.3868 -6.3868 -6.1303 -6.1303 -6.1295 -6.1295 -6.0410 -6.0410 -6.0408 -6.0408 -4.0001 -4.0001 -3.9998 -3.9998 -2.9240 -2.9240 -2.9236 -2.9236 -1.8310 -1.8310 -1.8308 -1.8308 -1.4769 -1.4769 -1.4766 -1.4766 5.1016 5.1016 5.1018 5.1018 5.4545 5.4545 5.4547 5.4547 7.3146 7.3146 7.3146 7.3146 k = 0.1471 0.4714 0.2570 ( 7632 PWs) bands (ev): -21.7347 -21.7347 -21.7347 -21.7347 -21.2094 -21.2094 -21.2094 -21.2094 -13.1091 -13.1091 -13.1091 -13.1091 -13.0989 -13.0989 -13.0989 -13.0989 -8.6195 -8.6195 -8.6194 -8.6194 -7.9533 -7.9533 -7.9532 -7.9532 -6.7211 -6.7211 -6.7209 -6.7209 -6.3792 -6.3792 -6.3784 -6.3784 -6.1336 -6.1336 -6.1329 -6.1329 -6.0390 -6.0390 -6.0388 -6.0388 -4.0092 -4.0092 -4.0090 -4.0090 -2.9076 -2.9076 -2.9072 -2.9072 -1.8366 -1.8366 -1.8364 -1.8364 -1.4739 -1.4739 -1.4737 -1.4737 5.0716 5.0716 5.0717 5.0717 5.4174 5.4174 5.4175 5.4175 7.3097 7.3097 7.3098 7.3098 k = 0.1324 0.4714 0.2570 ( 7628 PWs) bands (ev): -21.7403 -21.7403 -21.7403 -21.7403 -21.2034 -21.2034 -21.2034 -21.2034 -13.1094 -13.1094 -13.1094 -13.1094 -13.0993 -13.0993 -13.0993 -13.0993 -8.6264 -8.6264 -8.6263 -8.6263 -7.9443 -7.9443 -7.9442 -7.9442 -6.7238 -6.7238 -6.7236 -6.7236 -6.3712 -6.3712 -6.3705 -6.3705 -6.1369 -6.1369 -6.1362 -6.1362 -6.0371 -6.0371 -6.0369 -6.0369 -4.0175 -4.0175 -4.0172 -4.0172 -2.8925 -2.8925 -2.8921 -2.8921 -1.8417 -1.8417 -1.8416 -1.8416 -1.4713 -1.4713 -1.4710 -1.4710 5.0441 5.0441 5.0442 5.0442 5.3832 5.3832 5.3833 5.3833 7.3037 7.3037 7.3038 7.3038 k = 0.1176 0.4714 0.2570 ( 7636 PWs) bands (ev): -21.7453 -21.7453 -21.7453 -21.7453 -21.1980 -21.1980 -21.1980 -21.1980 -13.1096 -13.1096 -13.1096 -13.1096 -13.0997 -13.0997 -13.0997 -13.0997 -8.6326 -8.6326 -8.6325 -8.6325 -7.9361 -7.9361 -7.9360 -7.9360 -6.7262 -6.7262 -6.7260 -6.7260 -6.3638 -6.3638 -6.3631 -6.3631 -6.1402 -6.1402 -6.1396 -6.1396 -6.0354 -6.0354 -6.0352 -6.0352 -4.0248 -4.0248 -4.0246 -4.0246 -2.8788 -2.8788 -2.8785 -2.8785 -1.8463 -1.8463 -1.8462 -1.8462 -1.4690 -1.4690 -1.4687 -1.4687 5.0192 5.0192 5.0193 5.0193 5.3521 5.3521 5.3522 5.3522 7.2969 7.2969 7.2970 7.2970 k = 0.1029 0.4714 0.2570 ( 7636 PWs) bands (ev): -21.7497 -21.7497 -21.7497 -21.7497 -21.1932 -21.1932 -21.1932 -21.1932 -13.1099 -13.1099 -13.1099 -13.1099 -13.1000 -13.1000 -13.1000 -13.1000 -8.6381 -8.6381 -8.6381 -8.6381 -7.9288 -7.9288 -7.9287 -7.9287 -6.7283 -6.7283 -6.7282 -6.7282 -6.3568 -6.3568 -6.3562 -6.3562 -6.1434 -6.1434 -6.1428 -6.1428 -6.0338 -6.0338 -6.0337 -6.0337 -4.0312 -4.0312 -4.0310 -4.0310 -2.8667 -2.8667 -2.8664 -2.8664 -1.8504 -1.8504 -1.8503 -1.8503 -1.4669 -1.4669 -1.4667 -1.4667 4.9970 4.9970 4.9970 4.9970 5.3242 5.3242 5.3243 5.3243 7.2899 7.2899 7.2899 7.2899 k = 0.0882 0.4714 0.2570 ( 7636 PWs) bands (ev): -21.7536 -21.7536 -21.7536 -21.7536 -21.1891 -21.1891 -21.1891 -21.1891 -13.1101 -13.1101 -13.1100 -13.1100 -13.1002 -13.1002 -13.1002 -13.1002 -8.6430 -8.6430 -8.6429 -8.6429 -7.9224 -7.9224 -7.9223 -7.9223 -6.7302 -6.7302 -6.7301 -6.7301 -6.3506 -6.3506 -6.3500 -6.3500 -6.1463 -6.1463 -6.1458 -6.1458 -6.0324 -6.0324 -6.0323 -6.0323 -4.0366 -4.0366 -4.0365 -4.0365 -2.8561 -2.8561 -2.8558 -2.8558 -1.8540 -1.8540 -1.8540 -1.8540 -1.4651 -1.4651 -1.4650 -1.4650 4.9775 4.9775 4.9776 4.9776 5.2998 5.2998 5.2999 5.2999 7.2829 7.2829 7.2830 7.2830 k = 0.0735 0.4714 0.2570 ( 7636 PWs) bands (ev): -21.7568 -21.7568 -21.7568 -21.7568 -21.1855 -21.1855 -21.1855 -21.1855 -13.1102 -13.1102 -13.1102 -13.1102 -13.1005 -13.1005 -13.1005 -13.1005 -8.6471 -8.6471 -8.6470 -8.6470 -7.9169 -7.9169 -7.9168 -7.9168 -6.7318 -6.7318 -6.7317 -6.7317 -6.3450 -6.3450 -6.3445 -6.3445 -6.1490 -6.1490 -6.1486 -6.1486 -6.0312 -6.0312 -6.0311 -6.0311 -4.0412 -4.0412 -4.0411 -4.0411 -2.8470 -2.8470 -2.8468 -2.8468 -1.8571 -1.8571 -1.8571 -1.8571 -1.4636 -1.4636 -1.4635 -1.4635 4.9610 4.9610 4.9610 4.9610 5.2790 5.2790 5.2790 5.2790 7.2764 7.2764 7.2765 7.2765 k = 0.0588 0.4714 0.2570 ( 7636 PWs) bands (ev): -21.7595 -21.7595 -21.7595 -21.7595 -21.1826 -21.1826 -21.1826 -21.1826 -13.1103 -13.1103 -13.1103 -13.1103 -13.1007 -13.1007 -13.1007 -13.1007 -8.6504 -8.6504 -8.6504 -8.6504 -7.9124 -7.9124 -7.9123 -7.9123 -6.7331 -6.7331 -6.7331 -6.7331 -6.3403 -6.3403 -6.3399 -6.3399 -6.1514 -6.1514 -6.1510 -6.1510 -6.0303 -6.0303 -6.0302 -6.0302 -4.0450 -4.0450 -4.0449 -4.0449 -2.8395 -2.8395 -2.8393 -2.8393 -1.8597 -1.8597 -1.8596 -1.8596 -1.4624 -1.4624 -1.4623 -1.4623 4.9473 4.9473 4.9474 4.9474 5.2618 5.2618 5.2618 5.2618 7.2707 7.2707 7.2707 7.2707 k = 0.0441 0.4714 0.2570 ( 7644 PWs) bands (ev): -21.7616 -21.7616 -21.7616 -21.7616 -21.1803 -21.1803 -21.1803 -21.1803 -13.1104 -13.1104 -13.1104 -13.1104 -13.1009 -13.1009 -13.1009 -13.1009 -8.6531 -8.6531 -8.6531 -8.6531 -7.9088 -7.9088 -7.9088 -7.9088 -6.7342 -6.7342 -6.7341 -6.7341 -6.3365 -6.3365 -6.3362 -6.3362 -6.1533 -6.1533 -6.1530 -6.1530 -6.0295 -6.0295 -6.0294 -6.0294 -4.0479 -4.0479 -4.0478 -4.0478 -2.8337 -2.8337 -2.8335 -2.8335 -1.8617 -1.8617 -1.8616 -1.8616 -1.4615 -1.4615 -1.4614 -1.4614 4.9366 4.9366 4.9367 4.9367 5.2483 5.2483 5.2483 5.2483 7.2660 7.2660 7.2660 7.2660 k = 0.0294 0.4714 0.2570 ( 7640 PWs) bands (ev): -21.7631 -21.7631 -21.7631 -21.7631 -21.1787 -21.1787 -21.1787 -21.1787 -13.1105 -13.1105 -13.1105 -13.1105 -13.1010 -13.1010 -13.1010 -13.1010 -8.6550 -8.6550 -8.6550 -8.6550 -7.9063 -7.9063 -7.9063 -7.9063 -6.7349 -6.7349 -6.7349 -6.7349 -6.3337 -6.3337 -6.3335 -6.3335 -6.1547 -6.1547 -6.1545 -6.1545 -6.0289 -6.0289 -6.0289 -6.0289 -4.0499 -4.0499 -4.0499 -4.0499 -2.8295 -2.8295 -2.8294 -2.8294 -1.8631 -1.8631 -1.8631 -1.8631 -1.4608 -1.4608 -1.4608 -1.4608 4.9290 4.9290 4.9290 4.9290 5.2386 5.2386 5.2387 5.2387 7.2625 7.2625 7.2625 7.2625 k = 0.0147 0.4714 0.2570 ( 7636 PWs) bands (ev): -21.7640 -21.7640 -21.7640 -21.7640 -21.1777 -21.1777 -21.1777 -21.1777 -13.1105 -13.1105 -13.1105 -13.1105 -13.1010 -13.1010 -13.1010 -13.1010 -8.6561 -8.6561 -8.6561 -8.6561 -7.9047 -7.9047 -7.9047 -7.9047 -6.7354 -6.7354 -6.7353 -6.7353 -6.3320 -6.3320 -6.3318 -6.3318 -6.1556 -6.1556 -6.1555 -6.1555 -6.0286 -6.0286 -6.0285 -6.0285 -4.0511 -4.0511 -4.0511 -4.0511 -2.8269 -2.8269 -2.8269 -2.8269 -1.8639 -1.8639 -1.8639 -1.8639 -1.4604 -1.4604 -1.4604 -1.4604 4.9244 4.9244 4.9244 4.9244 5.2328 5.2328 5.2328 5.2328 7.2603 7.2603 7.2603 7.2603 k = 0.0000 0.4714 0.2570 ( 7628 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1106 -13.1106 -13.1106 -13.1106 -13.1011 -13.1011 -13.1011 -13.1011 -8.6565 -8.6565 -8.6565 -8.6565 -7.9042 -7.9042 -7.9042 -7.9042 -6.7355 -6.7355 -6.7355 -6.7355 -6.3313 -6.3313 -6.3313 -6.3313 -6.1558 -6.1558 -6.1558 -6.1558 -6.0284 -6.0284 -6.0284 -6.0284 -4.0515 -4.0515 -4.0515 -4.0515 -2.8261 -2.8261 -2.8261 -2.8261 -1.8642 -1.8642 -1.8642 -1.8642 -1.4603 -1.4603 -1.4603 -1.4603 4.9229 4.9229 4.9229 4.9229 5.2309 5.2309 5.2309 5.2309 7.2596 7.2596 7.2596 7.2596 k = 0.0000 0.4714 0.2570 ( 7628 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1106 -13.1106 -13.1106 -13.1106 -13.1011 -13.1011 -13.1011 -13.1011 -8.6565 -8.6565 -8.6565 -8.6565 -7.9042 -7.9042 -7.9042 -7.9042 -6.7355 -6.7355 -6.7355 -6.7355 -6.3313 -6.3313 -6.3313 -6.3313 -6.1558 -6.1558 -6.1558 -6.1558 -6.0284 -6.0284 -6.0284 -6.0284 -4.0515 -4.0515 -4.0515 -4.0515 -2.8261 -2.8261 -2.8261 -2.8261 -1.8642 -1.8642 -1.8642 -1.8642 -1.4603 -1.4603 -1.4603 -1.4603 4.9229 4.9229 4.9229 4.9229 5.2309 5.2309 5.2309 5.2309 7.2596 7.2596 7.2596 7.2596 k = 0.0000 0.4567 0.2570 ( 7634 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1136 -13.1136 -13.1133 -13.1133 -13.0980 -13.0980 -13.0978 -13.0978 -8.6565 -8.6565 -8.6565 -8.6565 -7.9047 -7.9047 -7.9045 -7.9045 -6.7353 -6.7353 -6.7350 -6.7350 -6.3313 -6.3313 -6.3312 -6.3312 -6.1564 -6.1564 -6.1563 -6.1563 -6.0280 -6.0280 -6.0280 -6.0280 -4.0517 -4.0517 -4.0517 -4.0517 -2.8265 -2.8265 -2.8263 -2.8263 -1.8650 -1.8650 -1.8648 -1.8648 -1.4605 -1.4605 -1.4604 -1.4604 4.9192 4.9192 4.9192 4.9192 5.2370 5.2370 5.2370 5.2370 7.2518 7.2518 7.2519 7.2519 k = 0.0000 0.4420 0.2570 ( 7648 PWs) bands (ev): -21.7644 -21.7644 -21.7644 -21.7644 -21.1774 -21.1774 -21.1774 -21.1774 -13.1186 -13.1186 -13.1183 -13.1183 -13.0923 -13.0923 -13.0919 -13.0919 -8.6565 -8.6565 -8.6564 -8.6564 -7.9059 -7.9059 -7.9056 -7.9056 -6.7344 -6.7344 -6.7339 -6.7339 -6.3310 -6.3310 -6.3308 -6.3308 -6.1580 -6.1580 -6.1577 -6.1577 -6.0268 -6.0268 -6.0266 -6.0266 -4.0522 -4.0522 -4.0521 -4.0521 -2.8275 -2.8275 -2.8272 -2.8272 -1.8672 -1.8672 -1.8669 -1.8669 -1.4612 -1.4612 -1.4610 -1.4610 4.9089 4.9089 4.9090 4.9090 5.2544 5.2544 5.2545 5.2545 7.2316 7.2316 7.2318 7.2318 k = 0.0000 0.4272 0.2570 ( 7650 PWs) bands (ev): -21.7646 -21.7646 -21.7646 -21.7646 -21.1774 -21.1774 -21.1774 -21.1774 -13.1237 -13.1237 -13.1234 -13.1234 -13.0858 -13.0858 -13.0854 -13.0854 -8.6565 -8.6565 -8.6563 -8.6563 -7.9078 -7.9078 -7.9075 -7.9075 -6.7329 -6.7329 -6.7321 -6.7321 -6.3305 -6.3305 -6.3302 -6.3302 -6.1605 -6.1605 -6.1600 -6.1600 -6.0247 -6.0247 -6.0245 -6.0245 -4.0529 -4.0529 -4.0528 -4.0528 -2.8293 -2.8293 -2.8288 -2.8288 -1.8708 -1.8708 -1.8703 -1.8703 -1.4623 -1.4623 -1.4619 -1.4619 4.8941 4.8941 4.8942 4.8942 5.2811 5.2811 5.2812 5.2812 7.2046 7.2046 7.2048 7.2048 k = 0.0000 0.4125 0.2570 ( 7638 PWs) bands (ev): -21.7648 -21.7648 -21.7648 -21.7648 -21.1774 -21.1774 -21.1774 -21.1774 -13.1287 -13.1287 -13.1283 -13.1283 -13.0789 -13.0789 -13.0785 -13.0785 -8.6565 -8.6565 -8.6563 -8.6563 -7.9104 -7.9104 -7.9100 -7.9100 -6.7307 -6.7307 -6.7296 -6.7296 -6.3297 -6.3297 -6.3293 -6.3293 -6.1639 -6.1639 -6.1632 -6.1632 -6.0219 -6.0219 -6.0216 -6.0216 -4.0539 -4.0539 -4.0538 -4.0538 -2.8316 -2.8316 -2.8309 -2.8309 -1.8757 -1.8757 -1.8750 -1.8750 -1.4638 -1.4638 -1.4633 -1.4633 4.8767 4.8767 4.8768 4.8768 5.3149 5.3149 5.3150 5.3150 7.1750 7.1750 7.1752 7.1752 k = 0.0000 0.3978 0.2570 ( 7642 PWs) bands (ev): -21.7650 -21.7650 -21.7650 -21.7650 -21.1774 -21.1774 -21.1774 -21.1774 -13.1334 -13.1334 -13.1330 -13.1330 -13.0717 -13.0717 -13.0714 -13.0714 -8.6564 -8.6564 -8.6562 -8.6562 -7.9137 -7.9137 -7.9131 -7.9131 -6.7279 -6.7279 -6.7266 -6.7266 -6.3288 -6.3288 -6.3282 -6.3282 -6.1680 -6.1680 -6.1672 -6.1672 -6.0184 -6.0184 -6.0181 -6.0181 -4.0553 -4.0553 -4.0551 -4.0551 -2.8346 -2.8346 -2.8338 -2.8338 -1.8818 -1.8818 -1.8810 -1.8810 -1.4656 -1.4656 -1.4651 -1.4651 4.8584 4.8584 4.8585 4.8585 5.3540 5.3540 5.3541 5.3541 7.1450 7.1450 7.1452 7.1452 k = 0.0000 0.3830 0.2570 ( 7634 PWs) bands (ev): -21.7653 -21.7653 -21.7653 -21.7653 -21.1775 -21.1775 -21.1775 -21.1775 -13.1378 -13.1378 -13.1374 -13.1374 -13.0643 -13.0643 -13.0640 -13.0640 -8.6563 -8.6563 -8.6560 -8.6560 -7.9176 -7.9176 -7.9169 -7.9169 -6.7245 -6.7245 -6.7230 -6.7230 -6.3276 -6.3276 -6.3270 -6.3270 -6.1729 -6.1729 -6.1719 -6.1719 -6.0144 -6.0144 -6.0139 -6.0139 -4.0568 -4.0568 -4.0566 -4.0566 -2.8382 -2.8382 -2.8372 -2.8372 -1.8891 -1.8891 -1.8881 -1.8881 -1.4678 -1.4678 -1.4672 -1.4672 4.8401 4.8401 4.8402 4.8402 5.3970 5.3970 5.3970 5.3970 7.1160 7.1160 7.1163 7.1163 k = 0.0000 0.3683 0.2570 ( 7628 PWs) bands (ev): -21.7656 -21.7656 -21.7656 -21.7656 -21.1775 -21.1775 -21.1775 -21.1775 -13.1419 -13.1419 -13.1415 -13.1415 -13.0568 -13.0568 -13.0564 -13.0564 -8.6562 -8.6562 -8.6559 -8.6559 -7.9221 -7.9221 -7.9213 -7.9213 -6.7207 -6.7207 -6.7188 -6.7188 -6.3261 -6.3261 -6.3255 -6.3255 -6.1784 -6.1784 -6.1773 -6.1773 -6.0098 -6.0098 -6.0094 -6.0094 -4.0587 -4.0587 -4.0584 -4.0584 -2.8423 -2.8423 -2.8412 -2.8412 -1.8974 -1.8974 -1.8963 -1.8963 -1.4704 -1.4704 -1.4696 -1.4696 4.8226 4.8226 4.8227 4.8227 5.4428 5.4428 5.4429 5.4429 7.0890 7.0890 7.0892 7.0892 k = 0.0000 0.3536 0.2570 ( 7626 PWs) bands (ev): -21.7660 -21.7660 -21.7660 -21.7660 -21.1775 -21.1775 -21.1775 -21.1775 -13.1457 -13.1457 -13.1453 -13.1453 -13.0491 -13.0491 -13.0487 -13.0487 -8.6561 -8.6561 -8.6558 -8.6558 -7.9271 -7.9271 -7.9263 -7.9263 -6.7163 -6.7163 -6.7143 -6.7143 -6.3245 -6.3245 -6.3238 -6.3238 -6.1844 -6.1844 -6.1832 -6.1832 -6.0049 -6.0049 -6.0044 -6.0044 -4.0607 -4.0607 -4.0605 -4.0605 -2.8471 -2.8471 -2.8458 -2.8458 -1.9066 -1.9066 -1.9054 -1.9054 -1.4733 -1.4733 -1.4725 -1.4725 4.8061 4.8061 4.8062 4.8062 5.4907 5.4907 5.4907 5.4907 7.0643 7.0643 7.0646 7.0646 k = 0.0000 0.3388 0.2570 ( 7618 PWs) bands (ev): -21.7664 -21.7664 -21.7664 -21.7664 -21.1775 -21.1775 -21.1775 -21.1775 -13.1492 -13.1492 -13.1488 -13.1488 -13.0413 -13.0413 -13.0409 -13.0409 -8.6560 -8.6560 -8.6556 -8.6556 -7.9325 -7.9325 -7.9316 -7.9316 -6.7115 -6.7115 -6.7093 -6.7093 -6.3227 -6.3227 -6.3219 -6.3219 -6.1909 -6.1909 -6.1896 -6.1896 -5.9996 -5.9996 -5.9990 -5.9990 -4.0630 -4.0630 -4.0627 -4.0627 -2.8524 -2.8524 -2.8510 -2.8510 -1.9166 -1.9166 -1.9152 -1.9152 -1.4765 -1.4765 -1.4756 -1.4756 4.7910 4.7910 4.7911 4.7911 5.5398 5.5398 5.5399 5.5399 7.0426 7.0426 7.0429 7.0429 k = 0.0000 0.3241 0.2570 ( 7600 PWs) bands (ev): -21.7669 -21.7669 -21.7669 -21.7669 -21.1775 -21.1775 -21.1775 -21.1775 -13.1524 -13.1524 -13.1521 -13.1521 -13.0334 -13.0334 -13.0330 -13.0330 -8.6559 -8.6559 -8.6554 -8.6554 -7.9384 -7.9384 -7.9374 -7.9374 -6.7063 -6.7063 -6.7040 -6.7040 -6.3207 -6.3207 -6.3198 -6.3198 -6.1978 -6.1978 -6.1964 -6.1964 -5.9939 -5.9939 -5.9934 -5.9934 -4.0655 -4.0655 -4.0652 -4.0652 -2.8582 -2.8582 -2.8567 -2.8567 -1.9272 -1.9272 -1.9257 -1.9257 -1.4799 -1.4799 -1.4789 -1.4789 4.7773 4.7773 4.7774 4.7774 5.5896 5.5896 5.5897 5.5897 7.0242 7.0242 7.0244 7.0244 k = 0.0000 0.3094 0.2570 ( 7608 PWs) bands (ev): -21.7674 -21.7674 -21.7674 -21.7674 -21.1776 -21.1776 -21.1776 -21.1776 -13.1553 -13.1553 -13.1550 -13.1550 -13.0255 -13.0255 -13.0251 -13.0251 -8.6557 -8.6557 -8.6552 -8.6552 -7.9445 -7.9445 -7.9436 -7.9436 -6.7008 -6.7008 -6.6983 -6.6983 -6.3186 -6.3186 -6.3177 -6.3177 -6.2052 -6.2052 -6.2036 -6.2036 -5.9881 -5.9881 -5.9875 -5.9875 -4.0682 -4.0682 -4.0678 -4.0678 -2.8645 -2.8645 -2.8628 -2.8628 -1.9383 -1.9383 -1.9367 -1.9367 -1.4836 -1.4836 -1.4826 -1.4826 4.7651 4.7651 4.7652 4.7652 5.6393 5.6393 5.6394 5.6394 7.0093 7.0093 7.0096 7.0096 k = 0.0000 0.2946 0.2570 ( 7612 PWs) bands (ev): -21.7679 -21.7679 -21.7679 -21.7679 -21.1776 -21.1776 -21.1776 -21.1776 -13.1580 -13.1580 -13.1577 -13.1577 -13.0176 -13.0176 -13.0173 -13.0173 -8.6555 -8.6555 -8.6550 -8.6550 -7.9510 -7.9510 -7.9500 -7.9500 -6.6951 -6.6951 -6.6924 -6.6924 -6.3164 -6.3164 -6.3154 -6.3154 -6.2127 -6.2127 -6.2111 -6.2111 -5.9821 -5.9821 -5.9815 -5.9815 -4.0710 -4.0710 -4.0706 -4.0706 -2.8712 -2.8712 -2.8694 -2.8694 -1.9499 -1.9499 -1.9481 -1.9481 -1.4875 -1.4875 -1.4864 -1.4864 4.7543 4.7543 4.7545 4.7545 5.6884 5.6884 5.6885 5.6885 6.9983 6.9983 6.9986 6.9986 k = 0.0000 0.2799 0.2570 ( 7618 PWs) bands (ev): -21.7684 -21.7684 -21.7684 -21.7684 -21.1776 -21.1776 -21.1776 -21.1776 -13.1604 -13.1604 -13.1601 -13.1601 -13.0098 -13.0098 -13.0094 -13.0094 -8.6553 -8.6553 -8.6548 -8.6548 -7.9576 -7.9576 -7.9565 -7.9565 -6.6891 -6.6891 -6.6863 -6.6863 -6.3141 -6.3141 -6.3131 -6.3131 -6.2205 -6.2205 -6.2188 -6.2188 -5.9760 -5.9760 -5.9753 -5.9753 -4.0739 -4.0739 -4.0735 -4.0735 -2.8783 -2.8783 -2.8764 -2.8764 -1.9616 -1.9616 -1.9598 -1.9598 -1.4915 -1.4915 -1.4903 -1.4903 4.7450 4.7450 4.7451 4.7451 5.7361 5.7361 5.7362 5.7362 6.9916 6.9916 6.9918 6.9918 k = 0.0000 0.2652 0.2570 ( 7616 PWs) bands (ev): -21.7690 -21.7690 -21.7690 -21.7690 -21.1777 -21.1777 -21.1776 -21.1776 -13.1625 -13.1625 -13.1622 -13.1622 -13.0020 -13.0020 -13.0016 -13.0016 -8.6551 -8.6551 -8.6546 -8.6546 -7.9643 -7.9643 -7.9633 -7.9633 -6.6829 -6.6829 -6.6801 -6.6801 -6.3120 -6.3120 -6.3108 -6.3108 -6.2285 -6.2285 -6.2266 -6.2266 -5.9697 -5.9697 -5.9690 -5.9690 -4.0769 -4.0769 -4.0765 -4.0765 -2.8857 -2.8857 -2.8837 -2.8837 -1.9734 -1.9734 -1.9715 -1.9715 -1.4956 -1.4956 -1.4943 -1.4943 4.7369 4.7369 4.7370 4.7370 5.7819 5.7819 5.7820 5.7820 6.9892 6.9892 6.9895 6.9895 k = 0.0000 0.2504 0.2570 ( 7606 PWs) bands (ev): -21.7696 -21.7696 -21.7696 -21.7696 -21.1777 -21.1777 -21.1777 -21.1777 -13.1644 -13.1644 -13.1641 -13.1641 -12.9943 -12.9943 -12.9940 -12.9940 -8.6549 -8.6549 -8.6543 -8.6543 -7.9711 -7.9711 -7.9700 -7.9700 -6.6765 -6.6765 -6.6737 -6.6737 -6.3100 -6.3100 -6.3087 -6.3087 -6.2364 -6.2364 -6.2344 -6.2344 -5.9634 -5.9634 -5.9627 -5.9627 -4.0800 -4.0800 -4.0795 -4.0795 -2.8934 -2.8934 -2.8913 -2.8913 -1.9853 -1.9853 -1.9832 -1.9832 -1.4997 -1.4997 -1.4984 -1.4984 4.7300 4.7300 4.7302 4.7302 5.8252 5.8252 5.8253 5.8253 6.9913 6.9913 6.9916 6.9916 k = 0.0000 0.2357 0.2570 ( 7608 PWs) bands (ev): -21.7701 -21.7701 -21.7701 -21.7701 -21.1777 -21.1777 -21.1777 -21.1777 -13.1661 -13.1661 -13.1658 -13.1658 -12.9868 -12.9868 -12.9865 -12.9865 -8.6546 -8.6546 -8.6541 -8.6541 -7.9779 -7.9779 -7.9768 -7.9768 -6.6701 -6.6701 -6.6672 -6.6672 -6.3084 -6.3084 -6.3069 -6.3069 -6.2441 -6.2441 -6.2420 -6.2420 -5.9570 -5.9570 -5.9564 -5.9564 -4.0831 -4.0831 -4.0826 -4.0826 -2.9012 -2.9012 -2.8991 -2.8991 -1.9969 -1.9969 -1.9948 -1.9948 -1.5039 -1.5039 -1.5026 -1.5026 4.7243 4.7243 4.7244 4.7244 5.8655 5.8655 5.8656 5.8656 6.9980 6.9980 6.9983 6.9983 k = 0.0000 0.2210 0.2570 ( 7618 PWs) bands (ev): -21.7707 -21.7707 -21.7707 -21.7707 -21.1777 -21.1777 -21.1777 -21.1777 -13.1676 -13.1676 -13.1673 -13.1673 -12.9796 -12.9796 -12.9792 -12.9792 -8.6544 -8.6544 -8.6538 -8.6538 -7.9846 -7.9846 -7.9835 -7.9835 -6.6635 -6.6635 -6.6606 -6.6606 -6.3075 -6.3075 -6.3056 -6.3056 -6.2514 -6.2514 -6.2491 -6.2491 -5.9508 -5.9508 -5.9501 -5.9501 -4.0863 -4.0863 -4.0857 -4.0857 -2.9092 -2.9092 -2.9070 -2.9070 -2.0083 -2.0083 -2.0061 -2.0061 -1.5080 -1.5080 -1.5066 -1.5066 4.7196 4.7196 4.7197 4.7197 5.9024 5.9024 5.9026 5.9026 7.0092 7.0092 7.0095 7.0095 k = 0.0000 0.2063 0.2570 ( 7622 PWs) bands (ev): -21.7713 -21.7713 -21.7713 -21.7713 -21.1778 -21.1778 -21.1778 -21.1778 -13.1689 -13.1689 -13.1686 -13.1686 -12.9725 -12.9725 -12.9722 -12.9722 -8.6541 -8.6541 -8.6535 -8.6535 -7.9911 -7.9911 -7.9900 -7.9900 -6.6570 -6.6570 -6.6540 -6.6540 -6.3076 -6.3076 -6.3053 -6.3053 -6.2578 -6.2578 -6.2554 -6.2554 -5.9445 -5.9445 -5.9438 -5.9438 -4.0894 -4.0894 -4.0888 -4.0888 -2.9173 -2.9173 -2.9149 -2.9149 -2.0194 -2.0194 -2.0171 -2.0171 -1.5120 -1.5120 -1.5106 -1.5106 4.7157 4.7157 4.7158 4.7158 5.9357 5.9357 5.9358 5.9358 7.0246 7.0246 7.0249 7.0249 k = 0.0000 0.1915 0.2570 ( 7614 PWs) bands (ev): -21.7718 -21.7718 -21.7718 -21.7718 -21.1778 -21.1778 -21.1778 -21.1778 -13.1700 -13.1700 -13.1697 -13.1697 -12.9657 -12.9657 -12.9654 -12.9654 -8.6538 -8.6538 -8.6533 -8.6533 -7.9975 -7.9975 -7.9964 -7.9964 -6.6503 -6.6503 -6.6474 -6.6474 -6.3092 -6.3092 -6.3064 -6.3064 -6.2628 -6.2628 -6.2603 -6.2603 -5.9384 -5.9384 -5.9377 -5.9377 -4.0924 -4.0924 -4.0919 -4.0919 -2.9252 -2.9252 -2.9229 -2.9229 -2.0300 -2.0300 -2.0276 -2.0276 -1.5159 -1.5159 -1.5145 -1.5145 4.7126 4.7126 4.7128 4.7128 5.9652 5.9652 5.9654 5.9654 7.0438 7.0438 7.0441 7.0441 k = 0.0000 0.1768 0.2570 ( 7606 PWs) bands (ev): -21.7724 -21.7724 -21.7723 -21.7723 -21.1778 -21.1778 -21.1778 -21.1778 -13.1709 -13.1709 -13.1706 -13.1706 -12.9593 -12.9593 -12.9589 -12.9589 -8.6536 -8.6536 -8.6530 -8.6530 -8.0036 -8.0036 -8.0025 -8.0025 -6.6437 -6.6437 -6.6409 -6.6409 -6.3126 -6.3126 -6.3094 -6.3094 -6.2661 -6.2661 -6.2635 -6.2635 -5.9325 -5.9325 -5.9318 -5.9318 -4.0954 -4.0954 -4.0948 -4.0948 -2.9331 -2.9331 -2.9307 -2.9307 -2.0401 -2.0401 -2.0376 -2.0376 -1.5197 -1.5197 -1.5183 -1.5183 4.7103 4.7103 4.7104 4.7104 5.9909 5.9909 5.9911 5.9911 7.0662 7.0662 7.0666 7.0666 k = 0.0000 0.1621 0.2570 ( 7606 PWs) bands (ev): -21.7729 -21.7729 -21.7729 -21.7729 -21.1779 -21.1779 -21.1779 -21.1779 -13.1717 -13.1717 -13.1714 -13.1714 -12.9532 -12.9532 -12.9528 -12.9528 -8.6533 -8.6533 -8.6527 -8.6527 -8.0094 -8.0094 -8.0083 -8.0083 -6.6371 -6.6371 -6.6344 -6.6344 -6.3176 -6.3176 -6.3142 -6.3142 -6.2676 -6.2676 -6.2650 -6.2650 -5.9268 -5.9268 -5.9261 -5.9261 -4.0983 -4.0983 -4.0976 -4.0976 -2.9407 -2.9407 -2.9383 -2.9383 -2.0496 -2.0496 -2.0471 -2.0471 -1.5232 -1.5232 -1.5218 -1.5218 4.7084 4.7084 4.7086 4.7086 6.0131 6.0131 6.0133 6.0133 7.0911 7.0911 7.0915 7.0915 k = 0.0000 0.1473 0.2570 ( 7608 PWs) bands (ev): -21.7734 -21.7734 -21.7733 -21.7733 -21.1779 -21.1779 -21.1779 -21.1779 -13.1724 -13.1724 -13.1721 -13.1721 -12.9475 -12.9475 -12.9471 -12.9471 -8.6530 -8.6530 -8.6525 -8.6525 -8.0148 -8.0148 -8.0138 -8.0138 -6.6306 -6.6306 -6.6280 -6.6280 -6.3239 -6.3239 -6.3204 -6.3204 -6.2677 -6.2677 -6.2653 -6.2653 -5.9214 -5.9214 -5.9207 -5.9207 -4.1010 -4.1010 -4.1003 -4.1003 -2.9481 -2.9481 -2.9456 -2.9456 -2.0584 -2.0584 -2.0558 -2.0558 -1.5265 -1.5265 -1.5251 -1.5251 4.7071 4.7071 4.7072 4.7072 6.0320 6.0320 6.0322 6.0322 7.1178 7.1178 7.1182 7.1182 k = 0.0000 0.1326 0.2570 ( 7604 PWs) bands (ev): -21.7738 -21.7738 -21.7738 -21.7738 -21.1779 -21.1779 -21.1779 -21.1779 -13.1729 -13.1729 -13.1726 -13.1726 -12.9422 -12.9422 -12.9418 -12.9418 -8.6527 -8.6527 -8.6522 -8.6522 -8.0198 -8.0198 -8.0189 -8.0189 -6.6243 -6.6243 -6.6217 -6.6217 -6.3310 -6.3310 -6.3274 -6.3274 -6.2669 -6.2669 -6.2647 -6.2647 -5.9163 -5.9163 -5.9156 -5.9156 -4.1035 -4.1035 -4.1028 -4.1028 -2.9550 -2.9550 -2.9525 -2.9525 -2.0666 -2.0666 -2.0639 -2.0639 -1.5296 -1.5296 -1.5282 -1.5282 4.7062 4.7062 4.7063 4.7063 6.0478 6.0478 6.0480 6.0480 7.1453 7.1453 7.1457 7.1457 k = 0.0000 0.1179 0.2570 ( 7616 PWs) bands (ev): -21.7742 -21.7742 -21.7742 -21.7742 -21.1780 -21.1780 -21.1780 -21.1780 -13.1734 -13.1734 -13.1731 -13.1731 -12.9374 -12.9374 -12.9370 -12.9370 -8.6525 -8.6525 -8.6520 -8.6520 -8.0245 -8.0245 -8.0236 -8.0236 -6.6181 -6.6181 -6.6157 -6.6157 -6.3383 -6.3383 -6.3347 -6.3347 -6.2657 -6.2657 -6.2637 -6.2637 -5.9116 -5.9116 -5.9109 -5.9109 -4.1058 -4.1058 -4.1052 -4.1052 -2.9615 -2.9615 -2.9590 -2.9590 -2.0739 -2.0739 -2.0712 -2.0712 -1.5324 -1.5324 -1.5310 -1.5310 4.7056 4.7056 4.7057 4.7057 6.0609 6.0609 6.0611 6.0611 7.1728 7.1728 7.1731 7.1731 k = 0.0000 0.1031 0.2570 ( 7616 PWs) bands (ev): -21.7746 -21.7746 -21.7746 -21.7746 -21.1780 -21.1780 -21.1780 -21.1780 -13.1737 -13.1737 -13.1735 -13.1735 -12.9330 -12.9330 -12.9327 -12.9327 -8.6523 -8.6523 -8.6518 -8.6518 -8.0286 -8.0286 -8.0278 -8.0278 -6.6122 -6.6122 -6.6100 -6.6100 -6.3457 -6.3457 -6.3420 -6.3420 -6.2643 -6.2643 -6.2624 -6.2624 -5.9073 -5.9073 -5.9066 -5.9066 -4.1079 -4.1079 -4.1073 -4.1073 -2.9675 -2.9675 -2.9649 -2.9649 -2.0805 -2.0805 -2.0778 -2.0778 -1.5350 -1.5350 -1.5335 -1.5335 4.7052 4.7052 4.7053 4.7053 6.0716 6.0716 6.0718 6.0718 7.1993 7.1993 7.1996 7.1996 k = 0.0000 0.0884 0.2570 ( 7612 PWs) bands (ev): -21.7750 -21.7750 -21.7749 -21.7749 -21.1780 -21.1780 -21.1780 -21.1780 -13.1740 -13.1740 -13.1738 -13.1738 -12.9292 -12.9292 -12.9289 -12.9289 -8.6521 -8.6521 -8.6516 -8.6516 -8.0323 -8.0323 -8.0315 -8.0315 -6.6067 -6.6067 -6.6047 -6.6047 -6.3527 -6.3527 -6.3490 -6.3490 -6.2629 -6.2629 -6.2611 -6.2611 -5.9034 -5.9034 -5.9027 -5.9027 -4.1098 -4.1098 -4.1091 -4.1091 -2.9728 -2.9728 -2.9702 -2.9702 -2.0863 -2.0863 -2.0835 -2.0835 -1.5372 -1.5372 -1.5358 -1.5358 4.7050 4.7050 4.7051 4.7051 6.0803 6.0803 6.0805 6.0805 7.2241 7.2241 7.2244 7.2244 k = 0.0000 0.0737 0.2570 ( 7608 PWs) bands (ev): -21.7752 -21.7752 -21.7752 -21.7752 -21.1780 -21.1780 -21.1780 -21.1780 -13.1743 -13.1743 -13.1740 -13.1740 -12.9260 -12.9260 -12.9256 -12.9256 -8.6519 -8.6519 -8.6514 -8.6514 -8.0354 -8.0354 -8.0347 -8.0347 -6.6017 -6.6017 -6.5999 -6.5999 -6.3591 -6.3591 -6.3554 -6.3554 -6.2615 -6.2615 -6.2598 -6.2598 -5.9001 -5.9001 -5.8994 -5.8994 -4.1114 -4.1114 -4.1107 -4.1107 -2.9774 -2.9774 -2.9748 -2.9748 -2.0912 -2.0912 -2.0884 -2.0884 -1.5391 -1.5391 -1.5377 -1.5377 4.7049 4.7049 4.7050 4.7050 6.0872 6.0872 6.0874 6.0874 7.2465 7.2465 7.2467 7.2467 k = 0.0000 0.0589 0.2570 ( 7582 PWs) bands (ev): -21.7755 -21.7755 -21.7755 -21.7755 -21.1780 -21.1780 -21.1780 -21.1780 -13.1744 -13.1744 -13.1742 -13.1742 -12.9232 -12.9232 -12.9229 -12.9229 -8.6517 -8.6517 -8.6513 -8.6513 -8.0380 -8.0380 -8.0373 -8.0373 -6.5973 -6.5973 -6.5957 -6.5957 -6.3647 -6.3647 -6.3610 -6.3610 -6.2603 -6.2603 -6.2587 -6.2587 -5.8973 -5.8973 -5.8966 -5.8966 -4.1127 -4.1127 -4.1120 -4.1120 -2.9812 -2.9812 -2.9786 -2.9786 -2.0952 -2.0952 -2.0923 -2.0923 -1.5406 -1.5406 -1.5392 -1.5392 4.7049 4.7049 4.7051 4.7051 6.0926 6.0926 6.0927 6.0927 7.2657 7.2657 7.2659 7.2659 k = 0.0000 0.0442 0.2570 ( 7582 PWs) bands (ev): -21.7757 -21.7757 -21.7757 -21.7757 -21.1780 -21.1780 -21.1780 -21.1780 -13.1745 -13.1745 -13.1743 -13.1743 -12.9211 -12.9211 -12.9208 -12.9208 -8.6516 -8.6516 -8.6512 -8.6512 -8.0400 -8.0400 -8.0393 -8.0393 -6.5937 -6.5937 -6.5923 -6.5923 -6.3693 -6.3693 -6.3656 -6.3656 -6.2593 -6.2593 -6.2578 -6.2578 -5.8951 -5.8951 -5.8945 -5.8945 -4.1138 -4.1138 -4.1131 -4.1131 -2.9843 -2.9843 -2.9817 -2.9817 -2.0983 -2.0983 -2.0955 -2.0955 -1.5419 -1.5419 -1.5404 -1.5404 4.7050 4.7050 4.7051 4.7051 6.0965 6.0965 6.0967 6.0967 7.2812 7.2812 7.2814 7.2814 k = 0.0000 0.0295 0.2570 ( 7588 PWs) bands (ev): -21.7758 -21.7758 -21.7758 -21.7758 -21.1780 -21.1780 -21.1780 -21.1780 -13.1746 -13.1746 -13.1744 -13.1744 -12.9196 -12.9196 -12.9193 -12.9193 -8.6515 -8.6515 -8.6511 -8.6511 -8.0415 -8.0415 -8.0408 -8.0408 -6.5910 -6.5910 -6.5898 -6.5898 -6.3728 -6.3728 -6.3691 -6.3691 -6.2586 -6.2586 -6.2571 -6.2571 -5.8936 -5.8936 -5.8929 -5.8929 -4.1146 -4.1146 -4.1139 -4.1139 -2.9865 -2.9865 -2.9839 -2.9839 -2.1006 -2.1006 -2.0977 -2.0977 -1.5428 -1.5428 -1.5413 -1.5413 4.7050 4.7050 4.7051 4.7051 6.0993 6.0993 6.0994 6.0994 7.2927 7.2927 7.2928 7.2928 k = 0.0000 0.0147 0.2570 ( 7582 PWs) bands (ev): -21.7759 -21.7759 -21.7759 -21.7759 -21.1780 -21.1780 -21.1780 -21.1780 -13.1747 -13.1747 -13.1744 -13.1744 -12.9187 -12.9187 -12.9184 -12.9184 -8.6514 -8.6514 -8.6511 -8.6511 -8.0424 -8.0424 -8.0417 -8.0417 -6.5893 -6.5893 -6.5882 -6.5882 -6.3749 -6.3749 -6.3712 -6.3712 -6.2582 -6.2582 -6.2567 -6.2567 -5.8926 -5.8926 -5.8919 -5.8919 -4.1150 -4.1150 -4.1143 -4.1143 -2.9879 -2.9879 -2.9852 -2.9852 -2.1020 -2.1020 -2.0991 -2.0991 -1.5433 -1.5433 -1.5419 -1.5419 4.7051 4.7051 4.7052 4.7052 6.1009 6.1009 6.1010 6.1010 7.2997 7.2997 7.2998 7.2998 k = 0.0000 0.0000 0.2570 ( 7574 PWs) bands (ev): -21.7759 -21.7759 -21.7759 -21.7759 -21.1780 -21.1780 -21.1780 -21.1780 -13.1747 -13.1747 -13.1744 -13.1744 -12.9184 -12.9184 -12.9180 -12.9180 -8.6514 -8.6514 -8.6510 -8.6510 -8.0427 -8.0427 -8.0420 -8.0420 -6.5887 -6.5887 -6.5877 -6.5877 -6.3756 -6.3756 -6.3719 -6.3719 -6.2580 -6.2580 -6.2566 -6.2566 -5.8923 -5.8923 -5.8916 -5.8916 -4.1152 -4.1152 -4.1145 -4.1145 -2.9883 -2.9883 -2.9857 -2.9857 -2.1024 -2.1024 -2.0995 -2.0995 -1.5435 -1.5435 -1.5420 -1.5420 4.7051 4.7051 4.7052 4.7052 6.1014 6.1014 6.1015 6.1015 7.3020 7.3020 7.3021 7.3021 k = 0.0000 0.4714-0.0000 ( 7636 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1159 -13.1159 -13.1156 -13.1156 -13.0961 -13.0961 -13.0958 -13.0958 -8.6547 -8.6547 -8.6547 -8.6547 -7.9096 -7.9096 -7.9086 -7.9086 -6.7303 -6.7303 -6.7288 -6.7288 -6.3363 -6.3363 -6.3347 -6.3347 -6.1680 -6.1680 -6.1676 -6.1676 -6.0132 -6.0132 -6.0116 -6.0116 -4.0541 -4.0541 -4.0538 -4.0538 -2.8245 -2.8245 -2.8243 -2.8243 -1.8830 -1.8830 -1.8815 -1.8815 -1.4409 -1.4409 -1.4394 -1.4394 4.5569 4.5569 4.5569 4.5569 5.9555 5.9555 5.9556 5.9556 6.5032 6.5032 6.5036 6.5036 k = 0.0000 0.4714 0.0143 ( 7636 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1159 -13.1159 -13.1156 -13.1156 -13.0961 -13.0961 -13.0958 -13.0958 -8.6547 -8.6547 -8.6547 -8.6547 -7.9095 -7.9095 -7.9085 -7.9085 -6.7304 -6.7304 -6.7288 -6.7288 -6.3362 -6.3362 -6.3346 -6.3346 -6.1679 -6.1679 -6.1675 -6.1675 -6.0133 -6.0133 -6.0117 -6.0117 -4.0541 -4.0541 -4.0538 -4.0538 -2.8245 -2.8245 -2.8243 -2.8243 -1.8829 -1.8829 -1.8814 -1.8814 -1.4410 -1.4410 -1.4395 -1.4395 4.5585 4.5585 4.5585 4.5585 5.9485 5.9485 5.9486 5.9486 6.5098 6.5098 6.5101 6.5101 k = 0.0000 0.4714 0.0286 ( 7636 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1158 -13.1158 -13.1155 -13.1155 -13.0962 -13.0962 -13.0959 -13.0959 -8.6548 -8.6548 -8.6548 -8.6548 -7.9094 -7.9094 -7.9084 -7.9084 -6.7305 -6.7305 -6.7289 -6.7289 -6.3361 -6.3361 -6.3345 -6.3345 -6.1677 -6.1677 -6.1673 -6.1673 -6.0136 -6.0136 -6.0121 -6.0121 -4.0540 -4.0540 -4.0538 -4.0538 -2.8245 -2.8245 -2.8243 -2.8243 -1.8825 -1.8825 -1.8810 -1.8810 -1.4415 -1.4415 -1.4400 -1.4400 4.5633 4.5633 4.5633 4.5633 5.9285 5.9285 5.9286 5.9286 6.5286 6.5286 6.5290 6.5290 k = 0.0000 0.4714 0.0428 ( 7630 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1156 -13.1156 -13.1153 -13.1153 -13.0963 -13.0963 -13.0961 -13.0961 -8.6548 -8.6548 -8.6548 -8.6548 -7.9092 -7.9092 -7.9083 -7.9083 -6.7307 -6.7307 -6.7292 -6.7292 -6.3360 -6.3360 -6.3344 -6.3344 -6.1673 -6.1673 -6.1669 -6.1669 -6.0142 -6.0142 -6.0126 -6.0126 -4.0539 -4.0539 -4.0537 -4.0537 -2.8246 -2.8246 -2.8244 -2.8244 -1.8818 -1.8818 -1.8803 -1.8803 -1.4422 -1.4422 -1.4407 -1.4407 4.5713 4.5713 4.5713 4.5713 5.8976 5.8976 5.8977 5.8977 6.5575 6.5575 6.5578 6.5578 k = 0.0000 0.4714 0.0571 ( 7622 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1154 -13.1154 -13.1151 -13.1151 -13.0965 -13.0965 -13.0962 -13.0962 -8.6549 -8.6549 -8.6549 -8.6549 -7.9090 -7.9090 -7.9080 -7.9080 -6.7310 -6.7310 -6.7295 -6.7295 -6.3357 -6.3357 -6.3342 -6.3342 -6.1668 -6.1668 -6.1663 -6.1663 -6.0149 -6.0149 -6.0134 -6.0134 -4.0538 -4.0538 -4.0536 -4.0536 -2.8246 -2.8246 -2.8245 -2.8245 -1.8809 -1.8809 -1.8795 -1.8795 -1.4431 -1.4431 -1.4417 -1.4417 4.5824 4.5824 4.5824 4.5824 5.8586 5.8586 5.8587 5.8587 6.5939 6.5939 6.5942 6.5942 k = 0.0000 0.4714 0.0714 ( 7630 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1152 -13.1152 -13.1149 -13.1149 -13.0968 -13.0968 -13.0965 -13.0965 -8.6550 -8.6550 -8.6550 -8.6550 -7.9087 -7.9087 -7.9078 -7.9078 -6.7313 -6.7313 -6.7299 -6.7299 -6.3354 -6.3354 -6.3340 -6.3340 -6.1661 -6.1661 -6.1656 -6.1656 -6.0158 -6.0158 -6.0143 -6.0143 -4.0536 -4.0536 -4.0534 -4.0534 -2.8248 -2.8248 -2.8246 -2.8246 -1.8798 -1.8798 -1.8784 -1.8784 -1.4443 -1.4443 -1.4429 -1.4429 4.5966 4.5966 4.5966 4.5966 5.8138 5.8138 5.8139 5.8139 6.6357 6.6357 6.6361 6.6361 k = 0.0000 0.4714 0.0857 ( 7630 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1149 -13.1149 -13.1146 -13.1146 -13.0971 -13.0971 -13.0968 -13.0968 -8.6552 -8.6552 -8.6551 -8.6551 -7.9083 -7.9083 -7.9074 -7.9074 -6.7317 -6.7317 -6.7303 -6.7303 -6.3351 -6.3351 -6.3337 -6.3337 -6.1654 -6.1654 -6.1648 -6.1648 -6.0169 -6.0169 -6.0154 -6.0154 -4.0535 -4.0535 -4.0533 -4.0533 -2.8249 -2.8249 -2.8247 -2.8247 -1.8785 -1.8785 -1.8772 -1.8772 -1.4457 -1.4457 -1.4443 -1.4443 4.6138 4.6138 4.6138 4.6138 5.7648 5.7648 5.7650 5.7650 6.6814 6.6814 6.6818 6.6818 k = 0.0000 0.4714 0.0999 ( 7622 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1145 -13.1145 -13.1142 -13.1142 -13.0974 -13.0974 -13.0972 -13.0972 -8.6553 -8.6553 -8.6553 -8.6553 -7.9079 -7.9079 -7.9071 -7.9071 -6.7321 -6.7321 -6.7309 -6.7309 -6.3347 -6.3347 -6.3334 -6.3334 -6.1645 -6.1645 -6.1639 -6.1639 -6.0180 -6.0180 -6.0167 -6.0167 -4.0533 -4.0533 -4.0531 -4.0531 -2.8250 -2.8250 -2.8248 -2.8248 -1.8771 -1.8771 -1.8758 -1.8758 -1.4472 -1.4472 -1.4459 -1.4459 4.6339 4.6339 4.6339 4.6339 5.7132 5.7132 5.7133 5.7133 6.7300 6.7300 6.7304 6.7304 k = 0.0000 0.4714 0.1142 ( 7620 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1141 -13.1141 -13.1139 -13.1139 -13.0978 -13.0978 -13.0975 -13.0975 -8.6554 -8.6554 -8.6554 -8.6554 -7.9075 -7.9075 -7.9067 -7.9067 -6.7326 -6.7326 -6.7314 -6.7314 -6.3343 -6.3343 -6.3331 -6.3331 -6.1635 -6.1635 -6.1630 -6.1630 -6.0193 -6.0193 -6.0180 -6.0180 -4.0530 -4.0530 -4.0529 -4.0529 -2.8251 -2.8251 -2.8250 -2.8250 -1.8756 -1.8756 -1.8744 -1.8744 -1.4489 -1.4489 -1.4477 -1.4477 4.6567 4.6567 4.6568 4.6568 5.6597 5.6597 5.6599 5.6599 6.7807 6.7807 6.7810 6.7810 k = 0.0000 0.4714 0.1285 ( 7624 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1137 -13.1137 -13.1134 -13.1134 -13.0982 -13.0982 -13.0980 -13.0980 -8.6556 -8.6556 -8.6556 -8.6556 -7.9070 -7.9070 -7.9063 -7.9063 -6.7331 -6.7331 -6.7320 -6.7320 -6.3339 -6.3339 -6.3328 -6.3328 -6.1625 -6.1625 -6.1619 -6.1619 -6.0207 -6.0207 -6.0194 -6.0194 -4.0528 -4.0528 -4.0527 -4.0527 -2.8253 -2.8253 -2.8251 -2.8251 -1.8740 -1.8740 -1.8729 -1.8729 -1.4506 -1.4506 -1.4494 -1.4494 4.6822 4.6822 4.6822 4.6822 5.6054 5.6054 5.6055 5.6055 6.8329 6.8329 6.8333 6.8333 k = 0.0000 0.4714 0.1428 ( 7616 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1133 -13.1133 -13.1130 -13.1130 -13.0986 -13.0986 -13.0984 -13.0984 -8.6557 -8.6557 -8.6557 -8.6557 -7.9066 -7.9066 -7.9059 -7.9059 -6.7335 -6.7335 -6.7325 -6.7325 -6.3335 -6.3335 -6.3325 -6.3325 -6.1614 -6.1614 -6.1609 -6.1609 -6.0220 -6.0220 -6.0209 -6.0209 -4.0526 -4.0526 -4.0524 -4.0524 -2.8254 -2.8254 -2.8253 -2.8253 -1.8723 -1.8723 -1.8713 -1.8713 -1.4522 -1.4522 -1.4512 -1.4512 4.7100 4.7100 4.7101 4.7101 5.5508 5.5508 5.5509 5.5509 6.8864 6.8864 6.8868 6.8868 k = 0.0000 0.4714 0.1571 ( 7622 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1128 -13.1128 -13.1126 -13.1126 -13.0991 -13.0991 -13.0988 -13.0988 -8.6559 -8.6559 -8.6559 -8.6559 -7.9061 -7.9061 -7.9056 -7.9056 -6.7340 -6.7340 -6.7331 -6.7331 -6.3331 -6.3331 -6.3322 -6.3322 -6.1604 -6.1604 -6.1599 -6.1599 -6.0233 -6.0233 -6.0223 -6.0223 -4.0524 -4.0524 -4.0522 -4.0522 -2.8256 -2.8256 -2.8254 -2.8254 -1.8708 -1.8708 -1.8698 -1.8698 -1.4539 -1.4539 -1.4530 -1.4530 4.7400 4.7400 4.7400 4.7400 5.4967 5.4967 5.4968 5.4968 6.9408 6.9408 6.9411 6.9411 k = 0.0000 0.4714 0.1713 ( 7618 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1123 -13.1123 -13.1121 -13.1121 -13.0995 -13.0995 -13.0993 -13.0993 -8.6560 -8.6560 -8.6560 -8.6560 -7.9057 -7.9057 -7.9052 -7.9052 -6.7344 -6.7344 -6.7336 -6.7336 -6.3327 -6.3327 -6.3319 -6.3319 -6.1594 -6.1594 -6.1589 -6.1589 -6.0246 -6.0246 -6.0237 -6.0237 -4.0522 -4.0522 -4.0521 -4.0521 -2.8257 -2.8257 -2.8256 -2.8256 -1.8692 -1.8692 -1.8684 -1.8684 -1.4555 -1.4555 -1.4547 -1.4547 4.7716 4.7716 4.7716 4.7716 5.4436 5.4436 5.4437 5.4437 6.9957 6.9957 6.9961 6.9961 k = 0.0000 0.4714 0.1856 ( 7626 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1119 -13.1119 -13.1117 -13.1117 -13.0999 -13.0999 -13.0997 -13.0997 -8.6562 -8.6562 -8.6562 -8.6562 -7.9053 -7.9053 -7.9049 -7.9049 -6.7348 -6.7348 -6.7341 -6.7341 -6.3324 -6.3324 -6.3317 -6.3317 -6.1584 -6.1584 -6.1580 -6.1580 -6.0257 -6.0257 -6.0249 -6.0249 -4.0520 -4.0520 -4.0519 -4.0519 -2.8258 -2.8258 -2.8257 -2.8257 -1.8679 -1.8679 -1.8672 -1.8672 -1.4569 -1.4569 -1.4562 -1.4562 4.8042 4.8042 4.8043 4.8043 5.3924 5.3924 5.3925 5.3925 7.0509 7.0509 7.0512 7.0512 k = 0.0000 0.4714 0.1999 ( 7630 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1115 -13.1115 -13.1113 -13.1113 -13.1003 -13.1003 -13.1001 -13.1001 -8.6563 -8.6563 -8.6563 -8.6563 -7.9050 -7.9050 -7.9046 -7.9046 -6.7351 -6.7351 -6.7345 -6.7345 -6.3321 -6.3321 -6.3315 -6.3315 -6.1576 -6.1576 -6.1572 -6.1572 -6.0267 -6.0267 -6.0261 -6.0261 -4.0518 -4.0518 -4.0518 -4.0518 -2.8259 -2.8259 -2.8258 -2.8258 -1.8667 -1.8667 -1.8661 -1.8661 -1.4581 -1.4581 -1.4575 -1.4575 4.8370 4.8370 4.8371 4.8371 5.3443 5.3443 5.3444 5.3444 7.1054 7.1054 7.1058 7.1058 k = 0.0000 0.4714 0.2142 ( 7638 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1111 -13.1111 -13.1110 -13.1110 -13.1006 -13.1006 -13.1005 -13.1005 -8.6564 -8.6564 -8.6564 -8.6564 -7.9047 -7.9047 -7.9044 -7.9044 -6.7353 -6.7353 -6.7349 -6.7349 -6.3318 -6.3318 -6.3314 -6.3314 -6.1569 -6.1569 -6.1566 -6.1566 -6.0275 -6.0275 -6.0270 -6.0270 -4.0517 -4.0517 -4.0516 -4.0516 -2.8260 -2.8260 -2.8259 -2.8259 -1.8657 -1.8657 -1.8652 -1.8652 -1.4591 -1.4591 -1.4587 -1.4587 4.8684 4.8684 4.8685 4.8685 5.3009 5.3009 5.3010 5.3010 7.1582 7.1582 7.1586 7.1586 k = 0.0000 0.4714 0.2285 ( 7630 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1108 -13.1108 -13.1107 -13.1107 -13.1009 -13.1009 -13.1008 -13.1008 -8.6564 -8.6564 -8.6564 -8.6564 -7.9045 -7.9045 -7.9043 -7.9043 -6.7354 -6.7354 -6.7352 -6.7352 -6.3316 -6.3316 -6.3313 -6.3313 -6.1563 -6.1563 -6.1562 -6.1562 -6.0281 -6.0281 -6.0277 -6.0277 -4.0516 -4.0516 -4.0516 -4.0516 -2.8260 -2.8260 -2.8260 -2.8260 -1.8649 -1.8649 -1.8646 -1.8646 -1.4598 -1.4598 -1.4595 -1.4595 4.8959 4.8959 4.8959 4.8959 5.2648 5.2648 5.2648 5.2648 7.2065 7.2065 7.2068 7.2068 k = 0.0000 0.4714 0.2427 ( 7626 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1106 -13.1106 -13.1106 -13.1106 -13.1010 -13.1010 -13.1010 -13.1010 -8.6565 -8.6565 -8.6565 -8.6565 -7.9043 -7.9043 -7.9042 -7.9042 -6.7355 -6.7355 -6.7354 -6.7354 -6.3314 -6.3314 -6.3313 -6.3313 -6.1560 -6.1560 -6.1559 -6.1559 -6.0284 -6.0284 -6.0282 -6.0282 -4.0515 -4.0515 -4.0515 -4.0515 -2.8260 -2.8260 -2.8260 -2.8260 -1.8644 -1.8644 -1.8643 -1.8643 -1.4602 -1.4602 -1.4600 -1.4600 4.9156 4.9156 4.9156 4.9156 5.2399 5.2399 5.2400 5.2400 7.2442 7.2442 7.2444 7.2444 k = 0.0000 0.4714 0.2570 ( 7628 PWs) bands (ev): -21.7643 -21.7643 -21.7643 -21.7643 -21.1774 -21.1774 -21.1774 -21.1774 -13.1106 -13.1106 -13.1106 -13.1106 -13.1011 -13.1011 -13.1011 -13.1011 -8.6565 -8.6565 -8.6565 -8.6565 -7.9042 -7.9042 -7.9042 -7.9042 -6.7355 -6.7355 -6.7355 -6.7355 -6.3313 -6.3313 -6.3313 -6.3313 -6.1558 -6.1558 -6.1558 -6.1558 -6.0284 -6.0284 -6.0284 -6.0284 -4.0515 -4.0515 -4.0515 -4.0515 -2.8261 -2.8261 -2.8261 -2.8261 -1.8642 -1.8642 -1.8642 -1.8642 -1.4603 -1.4603 -1.4603 -1.4603 4.9229 4.9229 4.9229 4.9229 5.2309 5.2309 5.2309 5.2309 7.2596 7.2596 7.2596 7.2596 k = 0.5000-0.0000 0.2570 ( 7576 PWs) bands (ev): -21.4840 -21.4840 -21.4840 -21.4840 -21.4833 -21.4833 -21.4833 -21.4833 -13.0497 -13.0497 -13.0497 -13.0497 -13.0229 -13.0229 -13.0229 -13.0229 -8.4592 -8.4592 -8.4592 -8.4592 -8.3081 -8.3081 -8.3081 -8.3081 -6.5908 -6.5908 -6.5908 -6.5908 -6.4127 -6.4127 -6.4127 -6.4127 -6.2627 -6.2627 -6.2627 -6.2627 -5.8757 -5.8757 -5.8757 -5.8757 -3.8166 -3.8166 -3.8166 -3.8166 -3.4719 -3.4719 -3.4719 -3.4719 -1.9550 -1.9550 -1.9550 -1.9550 -1.6715 -1.6715 -1.6715 -1.6715 6.2288 6.2288 6.2288 6.2288 6.2379 6.2379 6.2379 6.2379 7.4220 7.4220 7.4220 7.4220 k = 0.5000-0.0000 0.2427 ( 7580 PWs) bands (ev): -21.4841 -21.4841 -21.4841 -21.4841 -21.4832 -21.4832 -21.4832 -21.4832 -13.0499 -13.0499 -13.0499 -13.0499 -13.0227 -13.0227 -13.0227 -13.0227 -8.4593 -8.4593 -8.4593 -8.4593 -8.3080 -8.3080 -8.3080 -8.3080 -6.5912 -6.5912 -6.5909 -6.5909 -6.4126 -6.4126 -6.4124 -6.4124 -6.2627 -6.2627 -6.2626 -6.2626 -5.8757 -5.8757 -5.8757 -5.8757 -3.8167 -3.8167 -3.8166 -3.8166 -3.4719 -3.4719 -3.4719 -3.4719 -1.9551 -1.9551 -1.9551 -1.9551 -1.6715 -1.6715 -1.6715 -1.6715 6.2011 6.2011 6.2017 6.2017 6.2652 6.2652 6.2659 6.2659 7.4210 7.4210 7.4212 7.4212 k = 0.5000-0.0000 0.2285 ( 7594 PWs) bands (ev): -21.4844 -21.4844 -21.4844 -21.4844 -21.4829 -21.4829 -21.4829 -21.4829 -13.0503 -13.0503 -13.0503 -13.0503 -13.0223 -13.0223 -13.0223 -13.0223 -8.4598 -8.4598 -8.4597 -8.4597 -8.3076 -8.3076 -8.3075 -8.3075 -6.5919 -6.5919 -6.5915 -6.5915 -6.4122 -6.4122 -6.4117 -6.4117 -6.2626 -6.2626 -6.2625 -6.2625 -5.8758 -5.8758 -5.8757 -5.8757 -3.8167 -3.8167 -3.8166 -3.8166 -3.4718 -3.4718 -3.4718 -3.4718 -1.9554 -1.9554 -1.9552 -1.9552 -1.6714 -1.6714 -1.6713 -1.6713 6.1701 6.1701 6.1706 6.1706 6.2969 6.2969 6.2976 6.2976 7.4184 7.4184 7.4188 7.4188 k = 0.5000-0.0000 0.2142 ( 7580 PWs) bands (ev): -21.4846 -21.4846 -21.4846 -21.4846 -21.4826 -21.4826 -21.4826 -21.4826 -13.0510 -13.0510 -13.0510 -13.0510 -13.0216 -13.0216 -13.0216 -13.0216 -8.4604 -8.4604 -8.4604 -8.4604 -8.3068 -8.3068 -8.3068 -8.3068 -6.5931 -6.5931 -6.5924 -6.5924 -6.4114 -6.4114 -6.4107 -6.4107 -6.2624 -6.2624 -6.2623 -6.2623 -5.8759 -5.8759 -5.8756 -5.8756 -3.8168 -3.8168 -3.8166 -3.8166 -3.4717 -3.4717 -3.4717 -3.4717 -1.9558 -1.9558 -1.9556 -1.9556 -1.6712 -1.6712 -1.6711 -1.6711 6.1397 6.1397 6.1402 6.1402 6.3284 6.3284 6.3291 6.3291 7.4146 7.4146 7.4152 7.4152 k = 0.5000-0.0000 0.1999 ( 7578 PWs) bands (ev): -21.4849 -21.4849 -21.4849 -21.4849 -21.4823 -21.4823 -21.4823 -21.4823 -13.0518 -13.0518 -13.0518 -13.0518 -13.0207 -13.0207 -13.0207 -13.0207 -8.4613 -8.4613 -8.4613 -8.4613 -8.3059 -8.3059 -8.3058 -8.3058 -6.5946 -6.5946 -6.5937 -6.5937 -6.4103 -6.4103 -6.4094 -6.4094 -6.2622 -6.2622 -6.2621 -6.2621 -5.8759 -5.8759 -5.8756 -5.8756 -3.8168 -3.8168 -3.8166 -3.8166 -3.4715 -3.4715 -3.4715 -3.4715 -1.9564 -1.9564 -1.9560 -1.9560 -1.6710 -1.6710 -1.6708 -1.6708 6.1102 6.1102 6.1107 6.1107 6.3593 6.3593 6.3600 6.3600 7.4100 7.4100 7.4108 7.4108 k = 0.5000-0.0000 0.1856 ( 7572 PWs) bands (ev): -21.4852 -21.4852 -21.4852 -21.4852 -21.4821 -21.4821 -21.4821 -21.4821 -13.0528 -13.0528 -13.0528 -13.0528 -13.0197 -13.0197 -13.0197 -13.0197 -8.4624 -8.4624 -8.4624 -8.4624 -8.3047 -8.3047 -8.3046 -8.3046 -6.5963 -6.5963 -6.5953 -6.5953 -6.4090 -6.4090 -6.4079 -6.4079 -6.2620 -6.2620 -6.2618 -6.2618 -5.8760 -5.8760 -5.8757 -5.8757 -3.8169 -3.8169 -3.8166 -3.8166 -3.4713 -3.4713 -3.4713 -3.4713 -1.9570 -1.9570 -1.9566 -1.9566 -1.6707 -1.6707 -1.6705 -1.6705 6.0819 6.0819 6.0823 6.0823 6.3894 6.3894 6.3901 6.3901 7.4051 7.4051 7.4060 7.4060 k = 0.5000-0.0000 0.1713 ( 7574 PWs) bands (ev): -21.4855 -21.4855 -21.4855 -21.4855 -21.4818 -21.4818 -21.4818 -21.4818 -13.0539 -13.0539 -13.0539 -13.0539 -13.0186 -13.0186 -13.0186 -13.0186 -8.4637 -8.4637 -8.4636 -8.4636 -8.3033 -8.3033 -8.3032 -8.3032 -6.5984 -6.5984 -6.5971 -6.5971 -6.4075 -6.4075 -6.4061 -6.4061 -6.2617 -6.2617 -6.2614 -6.2614 -5.8761 -5.8761 -5.8757 -5.8757 -3.8170 -3.8170 -3.8166 -3.8166 -3.4711 -3.4711 -3.4710 -3.4710 -1.9577 -1.9577 -1.9572 -1.9572 -1.6703 -1.6703 -1.6701 -1.6701 6.0548 6.0548 6.0553 6.0553 6.4183 6.4183 6.4191 6.4191 7.4003 7.4003 7.4013 7.4013 k = 0.5000-0.0000 0.1571 ( 7574 PWs) bands (ev): -21.4857 -21.4857 -21.4857 -21.4857 -21.4815 -21.4815 -21.4815 -21.4815 -13.0551 -13.0551 -13.0551 -13.0551 -13.0174 -13.0174 -13.0174 -13.0174 -8.4650 -8.4650 -8.4649 -8.4649 -8.3019 -8.3019 -8.3018 -8.3018 -6.6005 -6.6005 -6.5991 -6.5991 -6.4058 -6.4058 -6.4043 -6.4043 -6.2614 -6.2614 -6.2611 -6.2611 -5.8762 -5.8762 -5.8757 -5.8757 -3.8170 -3.8170 -3.8166 -3.8166 -3.4708 -3.4708 -3.4707 -3.4707 -1.9586 -1.9586 -1.9580 -1.9580 -1.6699 -1.6699 -1.6696 -1.6696 6.0293 6.0293 6.0297 6.0297 6.4459 6.4459 6.4466 6.4466 7.3958 7.3958 7.3969 7.3969 k = 0.5000-0.0000 0.1428 ( 7576 PWs) bands (ev): -21.4860 -21.4860 -21.4860 -21.4860 -21.4813 -21.4813 -21.4813 -21.4813 -13.0562 -13.0562 -13.0562 -13.0562 -13.0162 -13.0162 -13.0162 -13.0162 -8.4664 -8.4664 -8.4663 -8.4663 -8.3003 -8.3003 -8.3002 -8.3002 -6.6028 -6.6028 -6.6012 -6.6012 -6.4041 -6.4041 -6.4024 -6.4024 -6.2610 -6.2610 -6.2607 -6.2607 -5.8763 -5.8763 -5.8758 -5.8758 -3.8171 -3.8171 -3.8167 -3.8167 -3.4706 -3.4706 -3.4705 -3.4705 -1.9594 -1.9594 -1.9588 -1.9588 -1.6694 -1.6694 -1.6692 -1.6692 6.0055 6.0055 6.0059 6.0059 6.4718 6.4718 6.4725 6.4725 7.3918 7.3918 7.3931 7.3931 k = 0.5000-0.0000 0.1285 ( 7578 PWs) bands (ev): -21.4862 -21.4862 -21.4862 -21.4862 -21.4810 -21.4810 -21.4810 -21.4810 -13.0573 -13.0573 -13.0573 -13.0573 -13.0151 -13.0151 -13.0151 -13.0151 -8.4678 -8.4678 -8.4677 -8.4677 -8.2988 -8.2988 -8.2987 -8.2987 -6.6050 -6.6050 -6.6034 -6.6034 -6.4023 -6.4023 -6.4005 -6.4005 -6.2606 -6.2606 -6.2603 -6.2603 -5.8764 -5.8764 -5.8758 -5.8758 -3.8172 -3.8172 -3.8167 -3.8167 -3.4703 -3.4703 -3.4702 -3.4702 -1.9603 -1.9603 -1.9596 -1.9596 -1.6690 -1.6690 -1.6687 -1.6687 5.9835 5.9835 5.9838 5.9838 6.4958 6.4958 6.4965 6.4965 7.3886 7.3886 7.3898 7.3898 k = 0.5000-0.0000 0.1142 ( 7586 PWs) bands (ev): -21.4864 -21.4864 -21.4864 -21.4864 -21.4808 -21.4808 -21.4808 -21.4808 -13.0584 -13.0584 -13.0584 -13.0584 -13.0141 -13.0141 -13.0140 -13.0140 -8.4693 -8.4693 -8.4692 -8.4692 -8.2972 -8.2972 -8.2971 -8.2971 -6.6073 -6.6073 -6.6055 -6.6055 -6.4006 -6.4006 -6.3987 -6.3987 -6.2603 -6.2603 -6.2599 -6.2599 -5.8765 -5.8765 -5.8759 -5.8759 -3.8173 -3.8173 -3.8167 -3.8167 -3.4700 -3.4700 -3.4699 -3.4699 -1.9612 -1.9612 -1.9604 -1.9604 -1.6686 -1.6686 -1.6683 -1.6683 5.9635 5.9635 5.9638 5.9638 6.5178 6.5178 6.5184 6.5184 7.3860 7.3860 7.3873 7.3873 k = 0.5000-0.0000 0.0999 ( 7594 PWs) bands (ev): -21.4866 -21.4866 -21.4866 -21.4866 -21.4807 -21.4807 -21.4807 -21.4807 -13.0594 -13.0594 -13.0594 -13.0594 -13.0131 -13.0131 -13.0130 -13.0130 -8.4706 -8.4706 -8.4705 -8.4705 -8.2958 -8.2958 -8.2957 -8.2957 -6.6094 -6.6094 -6.6075 -6.6075 -6.3990 -6.3990 -6.3970 -6.3970 -6.2599 -6.2599 -6.2595 -6.2595 -5.8766 -5.8766 -5.8759 -5.8759 -3.8173 -3.8173 -3.8167 -3.8167 -3.4697 -3.4697 -3.4696 -3.4696 -1.9620 -1.9620 -1.9612 -1.9612 -1.6681 -1.6681 -1.6678 -1.6678 5.9455 5.9455 5.9458 5.9458 6.5374 6.5374 6.5381 6.5381 7.3841 7.3841 7.3855 7.3855 k = 0.5000-0.0000 0.0857 ( 7606 PWs) bands (ev): -21.4868 -21.4868 -21.4868 -21.4868 -21.4805 -21.4805 -21.4805 -21.4805 -13.0603 -13.0603 -13.0602 -13.0602 -13.0122 -13.0122 -13.0122 -13.0122 -8.4718 -8.4718 -8.4717 -8.4717 -8.2944 -8.2944 -8.2943 -8.2943 -6.6113 -6.6113 -6.6094 -6.6094 -6.3975 -6.3975 -6.3954 -6.3954 -6.2596 -6.2596 -6.2591 -6.2591 -5.8767 -5.8767 -5.8760 -5.8760 -3.8174 -3.8174 -3.8168 -3.8168 -3.4695 -3.4695 -3.4694 -3.4694 -1.9628 -1.9628 -1.9620 -1.9620 -1.6677 -1.6677 -1.6674 -1.6674 5.9298 5.9298 5.9300 5.9300 6.5547 6.5547 6.5553 6.5553 7.3828 7.3828 7.3843 7.3843 k = 0.5000-0.0000 0.0714 ( 7622 PWs) bands (ev): -21.4870 -21.4870 -21.4870 -21.4870 -21.4804 -21.4804 -21.4804 -21.4804 -13.0611 -13.0611 -13.0610 -13.0610 -13.0114 -13.0114 -13.0114 -13.0114 -8.4729 -8.4729 -8.4728 -8.4728 -8.2932 -8.2932 -8.2931 -8.2931 -6.6130 -6.6130 -6.6111 -6.6111 -6.3961 -6.3961 -6.3940 -6.3940 -6.2593 -6.2593 -6.2588 -6.2588 -5.8768 -5.8768 -5.8760 -5.8760 -3.8175 -3.8175 -3.8168 -3.8168 -3.4693 -3.4693 -3.4691 -3.4691 -1.9635 -1.9635 -1.9627 -1.9627 -1.6674 -1.6674 -1.6671 -1.6671 5.9163 5.9163 5.9165 5.9165 6.5695 6.5695 6.5700 6.5700 7.3820 7.3820 7.3836 7.3836 k = 0.5000-0.0000 0.0571 ( 7626 PWs) bands (ev): -21.4871 -21.4871 -21.4871 -21.4871 -21.4802 -21.4802 -21.4802 -21.4802 -13.0617 -13.0617 -13.0617 -13.0617 -13.0108 -13.0108 -13.0107 -13.0107 -8.4739 -8.4739 -8.4738 -8.4738 -8.2922 -8.2922 -8.2921 -8.2921 -6.6145 -6.6145 -6.6125 -6.6125 -6.3950 -6.3950 -6.3928 -6.3928 -6.2590 -6.2590 -6.2585 -6.2585 -5.8768 -5.8768 -5.8761 -5.8761 -3.8175 -3.8175 -3.8169 -3.8169 -3.4691 -3.4691 -3.4689 -3.4689 -1.9641 -1.9641 -1.9633 -1.9633 -1.6670 -1.6670 -1.6668 -1.6668 5.9051 5.9051 5.9053 5.9053 6.5816 6.5816 6.5821 6.5821 7.3817 7.3817 7.3833 7.3833 k = 0.5000-0.0000 0.0428 ( 7630 PWs) bands (ev): -21.4872 -21.4872 -21.4872 -21.4872 -21.4801 -21.4801 -21.4801 -21.4801 -13.0622 -13.0622 -13.0622 -13.0622 -13.0102 -13.0102 -13.0102 -13.0102 -8.4746 -8.4746 -8.4745 -8.4745 -8.2914 -8.2914 -8.2913 -8.2913 -6.6157 -6.6157 -6.6136 -6.6136 -6.3941 -6.3941 -6.3919 -6.3919 -6.2588 -6.2588 -6.2583 -6.2583 -5.8769 -5.8769 -5.8761 -5.8761 -3.8176 -3.8176 -3.8169 -3.8169 -3.4689 -3.4689 -3.4688 -3.4688 -1.9646 -1.9646 -1.9637 -1.9637 -1.6668 -1.6668 -1.6665 -1.6665 5.8964 5.8964 5.8966 5.8966 6.5911 6.5911 6.5915 6.5915 7.3816 7.3816 7.3832 7.3832 k = 0.5000-0.0000 0.0286 ( 7630 PWs) bands (ev): -21.4873 -21.4873 -21.4872 -21.4872 -21.4801 -21.4801 -21.4801 -21.4801 -13.0626 -13.0626 -13.0626 -13.0626 -13.0099 -13.0099 -13.0099 -13.0099 -8.4752 -8.4752 -8.4751 -8.4751 -8.2908 -8.2908 -8.2906 -8.2906 -6.6165 -6.6165 -6.6145 -6.6145 -6.3934 -6.3934 -6.3912 -6.3912 -6.2586 -6.2586 -6.2581 -6.2581 -5.8769 -5.8769 -5.8761 -5.8761 -3.8176 -3.8176 -3.8169 -3.8169 -3.4688 -3.4688 -3.4686 -3.4686 -1.9650 -1.9650 -1.9641 -1.9641 -1.6666 -1.6666 -1.6663 -1.6663 5.8901 5.8901 5.8903 5.8903 6.5979 6.5979 6.5983 6.5983 7.3817 7.3817 7.3833 7.3833 k = 0.5000-0.0000 0.0143 ( 7630 PWs) bands (ev): -21.4873 -21.4873 -21.4873 -21.4873 -21.4800 -21.4800 -21.4800 -21.4800 -13.0628 -13.0628 -13.0628 -13.0628 -13.0096 -13.0096 -13.0096 -13.0096 -8.4755 -8.4755 -8.4754 -8.4754 -8.2904 -8.2904 -8.2903 -8.2903 -6.6171 -6.6171 -6.6150 -6.6150 -6.3930 -6.3930 -6.3908 -6.3908 -6.2585 -6.2585 -6.2580 -6.2580 -5.8769 -5.8769 -5.8761 -5.8761 -3.8176 -3.8176 -3.8169 -3.8169 -3.4687 -3.4687 -3.4686 -3.4686 -1.9652 -1.9652 -1.9643 -1.9643 -1.6665 -1.6665 -1.6662 -1.6662 5.8864 5.8864 5.8865 5.8865 6.6020 6.6020 6.6023 6.6023 7.3817 7.3817 7.3834 7.3834 k = 0.5000-0.0000-0.0000 ( 7632 PWs) bands (ev): -21.4873 -21.4873 -21.4873 -21.4873 -21.4800 -21.4800 -21.4800 -21.4800 -13.0629 -13.0629 -13.0628 -13.0628 -13.0096 -13.0096 -13.0096 -13.0096 -8.4756 -8.4756 -8.4755 -8.4755 -8.2903 -8.2903 -8.2901 -8.2901 -6.6172 -6.6172 -6.6152 -6.6152 -6.3929 -6.3929 -6.3906 -6.3906 -6.2585 -6.2585 -6.2580 -6.2580 -5.8770 -5.8770 -5.8761 -5.8761 -3.8176 -3.8176 -3.8169 -3.8169 -3.4687 -3.4687 -3.4685 -3.4685 -1.9653 -1.9653 -1.9644 -1.9644 -1.6664 -1.6664 -1.6662 -1.6662 5.8851 5.8851 5.8852 5.8852 6.6034 6.6034 6.6037 6.6037 7.3818 7.3818 7.3835 7.3835 k = 0.5000 0.4714-0.0000 ( 7588 PWs) bands (ev): -21.4799 -21.4799 -21.4799 -21.4799 -21.4739 -21.4739 -21.4739 -21.4739 -13.1179 -13.1179 -13.1179 -13.1179 -13.0742 -13.0742 -13.0742 -13.0742 -8.3711 -8.3711 -8.3711 -8.3711 -8.2449 -8.2449 -8.2449 -8.2449 -6.7143 -6.7143 -6.7143 -6.7143 -6.4390 -6.4390 -6.4390 -6.4390 -6.1298 -6.1298 -6.1298 -6.1298 -6.0835 -6.0835 -6.0835 -6.0835 -3.5564 -3.5564 -3.5564 -3.5564 -3.4996 -3.4996 -3.4996 -3.4996 -1.7204 -1.7204 -1.7204 -1.7204 -1.5371 -1.5371 -1.5371 -1.5371 5.9177 5.9177 5.9177 5.9177 6.2315 6.2315 6.2315 6.2315 6.4977 6.4977 6.4977 6.4977 k = 0.5000 0.4714 0.0143 ( 7588 PWs) bands (ev): -21.4799 -21.4799 -21.4799 -21.4799 -21.4739 -21.4739 -21.4739 -21.4739 -13.1178 -13.1178 -13.1178 -13.1178 -13.0743 -13.0743 -13.0743 -13.0743 -8.3708 -8.3708 -8.3708 -8.3708 -8.2452 -8.2452 -8.2452 -8.2452 -6.7139 -6.7139 -6.7139 -6.7139 -6.4398 -6.4398 -6.4398 -6.4398 -6.1295 -6.1295 -6.1295 -6.1295 -6.0834 -6.0834 -6.0834 -6.0834 -3.5563 -3.5563 -3.5563 -3.5563 -3.4997 -3.4997 -3.4997 -3.4997 -1.7200 -1.7200 -1.7200 -1.7200 -1.5375 -1.5375 -1.5375 -1.5375 5.9185 5.9185 5.9185 5.9185 6.2321 6.2321 6.2322 6.2322 6.4976 6.4976 6.4977 6.4977 k = 0.5000 0.4714 0.0286 ( 7580 PWs) bands (ev): -21.4798 -21.4798 -21.4798 -21.4798 -21.4739 -21.4739 -21.4739 -21.4739 -13.1176 -13.1176 -13.1176 -13.1176 -13.0746 -13.0746 -13.0746 -13.0746 -8.3701 -8.3701 -8.3701 -8.3701 -8.2459 -8.2459 -8.2459 -8.2459 -6.7127 -6.7127 -6.7127 -6.7127 -6.4422 -6.4422 -6.4422 -6.4422 -6.1284 -6.1284 -6.1284 -6.1284 -6.0833 -6.0833 -6.0833 -6.0833 -3.5560 -3.5560 -3.5560 -3.5560 -3.5000 -3.5000 -3.5000 -3.5000 -1.7190 -1.7190 -1.7190 -1.7190 -1.5385 -1.5385 -1.5385 -1.5385 5.9209 5.9209 5.9209 5.9209 6.2341 6.2341 6.2342 6.2342 6.4976 6.4976 6.4977 6.4977 k = 0.5000 0.4714 0.0428 ( 7588 PWs) bands (ev): -21.4798 -21.4798 -21.4798 -21.4798 -21.4740 -21.4740 -21.4740 -21.4740 -13.1172 -13.1172 -13.1172 -13.1172 -13.0750 -13.0750 -13.0750 -13.0750 -8.3689 -8.3689 -8.3689 -8.3689 -8.2471 -8.2471 -8.2470 -8.2470 -6.7108 -6.7108 -6.7107 -6.7107 -6.4461 -6.4461 -6.4460 -6.4460 -6.1268 -6.1268 -6.1268 -6.1268 -6.0832 -6.0832 -6.0831 -6.0831 -3.5554 -3.5554 -3.5554 -3.5554 -3.5005 -3.5005 -3.5005 -3.5005 -1.7173 -1.7173 -1.7173 -1.7173 -1.5403 -1.5403 -1.5403 -1.5403 5.9248 5.9248 5.9249 5.9249 6.2371 6.2371 6.2372 6.2372 6.4979 6.4979 6.4980 6.4980 k = 0.5000 0.4714 0.0571 ( 7592 PWs) bands (ev): -21.4797 -21.4797 -21.4797 -21.4797 -21.4741 -21.4741 -21.4741 -21.4741 -13.1166 -13.1166 -13.1166 -13.1166 -13.0756 -13.0756 -13.0756 -13.0756 -8.3673 -8.3673 -8.3673 -8.3673 -8.2487 -8.2487 -8.2487 -8.2487 -6.7081 -6.7081 -6.7080 -6.7080 -6.4514 -6.4514 -6.4513 -6.4513 -6.1246 -6.1246 -6.1245 -6.1245 -6.0829 -6.0829 -6.0829 -6.0829 -3.5547 -3.5547 -3.5546 -3.5546 -3.5013 -3.5013 -3.5012 -3.5012 -1.7149 -1.7149 -1.7149 -1.7149 -1.5427 -1.5427 -1.5427 -1.5427 5.9303 5.9303 5.9303 5.9303 6.2409 6.2409 6.2410 6.2410 6.4989 6.4989 6.4991 6.4991 k = 0.5000 0.4714 0.0714 ( 7580 PWs) bands (ev): -21.4796 -21.4796 -21.4796 -21.4796 -21.4742 -21.4742 -21.4742 -21.4742 -13.1159 -13.1159 -13.1159 -13.1159 -13.0763 -13.0763 -13.0763 -13.0763 -8.3651 -8.3651 -8.3651 -8.3651 -8.2508 -8.2508 -8.2508 -8.2508 -6.7046 -6.7046 -6.7045 -6.7045 -6.4579 -6.4579 -6.4578 -6.4578 -6.1219 -6.1219 -6.1218 -6.1218 -6.0826 -6.0826 -6.0826 -6.0826 -3.5537 -3.5537 -3.5536 -3.5536 -3.5022 -3.5022 -3.5021 -3.5021 -1.7118 -1.7118 -1.7118 -1.7118 -1.5458 -1.5458 -1.5458 -1.5458 5.9373 5.9373 5.9373 5.9373 6.2447 6.2447 6.2449 6.2449 6.5012 6.5012 6.5014 6.5014 k = 0.5000 0.4714 0.0857 ( 7576 PWs) bands (ev): -21.4795 -21.4795 -21.4795 -21.4795 -21.4743 -21.4743 -21.4743 -21.4743 -13.1150 -13.1150 -13.1150 -13.1150 -13.0772 -13.0772 -13.0772 -13.0772 -8.3626 -8.3626 -8.3626 -8.3626 -8.2533 -8.2533 -8.2533 -8.2533 -6.7004 -6.7004 -6.7003 -6.7003 -6.4656 -6.4656 -6.4655 -6.4655 -6.1188 -6.1188 -6.1188 -6.1188 -6.0823 -6.0823 -6.0823 -6.0823 -3.5525 -3.5525 -3.5524 -3.5524 -3.5033 -3.5033 -3.5032 -3.5032 -1.7082 -1.7082 -1.7082 -1.7082 -1.5495 -1.5495 -1.5495 -1.5495 5.9457 5.9457 5.9458 5.9458 6.2481 6.2481 6.2482 6.2482 6.5055 6.5055 6.5058 6.5058 k = 0.5000 0.4714 0.0999 ( 7580 PWs) bands (ev): -21.4793 -21.4793 -21.4793 -21.4793 -21.4744 -21.4744 -21.4744 -21.4744 -13.1140 -13.1140 -13.1140 -13.1140 -13.0782 -13.0782 -13.0782 -13.0782 -8.3596 -8.3596 -8.3596 -8.3596 -8.2562 -8.2562 -8.2562 -8.2562 -6.6955 -6.6955 -6.6954 -6.6954 -6.4744 -6.4744 -6.4742 -6.4742 -6.1156 -6.1156 -6.1155 -6.1155 -6.0820 -6.0820 -6.0819 -6.0819 -3.5511 -3.5511 -3.5510 -3.5510 -3.5046 -3.5046 -3.5045 -3.5045 -1.7039 -1.7039 -1.7039 -1.7039 -1.5538 -1.5538 -1.5538 -1.5538 5.9556 5.9556 5.9556 5.9556 6.2501 6.2501 6.2503 6.2503 6.5128 6.5128 6.5130 6.5130 k = 0.5000 0.4714 0.1142 ( 7588 PWs) bands (ev): -21.4792 -21.4792 -21.4792 -21.4792 -21.4746 -21.4746 -21.4746 -21.4746 -13.1129 -13.1129 -13.1129 -13.1129 -13.0794 -13.0794 -13.0794 -13.0794 -8.3563 -8.3563 -8.3562 -8.3562 -8.2596 -8.2596 -8.2596 -8.2596 -6.6898 -6.6898 -6.6897 -6.6897 -6.4840 -6.4840 -6.4838 -6.4838 -6.1122 -6.1122 -6.1121 -6.1121 -6.0817 -6.0817 -6.0816 -6.0816 -3.5496 -3.5496 -3.5495 -3.5495 -3.5060 -3.5060 -3.5060 -3.5060 -1.6991 -1.6991 -1.6991 -1.6991 -1.5587 -1.5587 -1.5587 -1.5587 5.9667 5.9667 5.9668 5.9668 6.2501 6.2501 6.2503 6.2503 6.5236 6.5236 6.5238 6.5238 k = 0.5000 0.4714 0.1285 ( 7568 PWs) bands (ev): -21.4790 -21.4790 -21.4790 -21.4790 -21.4747 -21.4747 -21.4747 -21.4747 -13.1116 -13.1116 -13.1116 -13.1116 -13.0807 -13.0807 -13.0807 -13.0807 -8.3525 -8.3525 -8.3525 -8.3525 -8.2633 -8.2633 -8.2632 -8.2632 -6.6834 -6.6834 -6.6833 -6.6833 -6.4943 -6.4943 -6.4941 -6.4941 -6.1087 -6.1087 -6.1087 -6.1087 -6.0814 -6.0814 -6.0813 -6.0813 -3.5478 -3.5478 -3.5477 -3.5477 -3.5076 -3.5076 -3.5076 -3.5076 -1.6937 -1.6937 -1.6937 -1.6937 -1.5641 -1.5641 -1.5641 -1.5641 5.9792 5.9792 5.9792 5.9792 6.2475 6.2475 6.2477 6.2477 6.5387 6.5387 6.5389 6.5389 k = 0.5000 0.4714 0.1428 ( 7564 PWs) bands (ev): -21.4788 -21.4788 -21.4788 -21.4788 -21.4749 -21.4749 -21.4749 -21.4749 -13.1102 -13.1102 -13.1102 -13.1102 -13.0821 -13.0821 -13.0821 -13.0821 -8.3484 -8.3484 -8.3484 -8.3484 -8.2673 -8.2673 -8.2673 -8.2673 -6.6764 -6.6764 -6.6762 -6.6762 -6.5051 -6.5051 -6.5050 -6.5050 -6.1052 -6.1052 -6.1052 -6.1052 -6.0812 -6.0812 -6.0811 -6.0811 -3.5460 -3.5460 -3.5459 -3.5459 -3.5094 -3.5094 -3.5093 -3.5093 -1.6878 -1.6878 -1.6878 -1.6878 -1.5701 -1.5701 -1.5700 -1.5700 5.9927 5.9927 5.9927 5.9927 6.2422 6.2422 6.2424 6.2424 6.5583 6.5583 6.5585 6.5585 k = 0.5000 0.4714 0.1571 ( 7556 PWs) bands (ev): -21.4786 -21.4786 -21.4786 -21.4786 -21.4751 -21.4751 -21.4751 -21.4751 -13.1087 -13.1087 -13.1087 -13.1087 -13.0836 -13.0836 -13.0836 -13.0836 -8.3440 -8.3440 -8.3440 -8.3440 -8.2716 -8.2716 -8.2716 -8.2716 -6.6687 -6.6687 -6.6685 -6.6685 -6.5165 -6.5165 -6.5163 -6.5163 -6.1019 -6.1019 -6.1019 -6.1019 -6.0811 -6.0811 -6.0810 -6.0810 -3.5439 -3.5439 -3.5438 -3.5438 -3.5113 -3.5113 -3.5112 -3.5112 -1.6815 -1.6815 -1.6815 -1.6815 -1.5764 -1.5764 -1.5764 -1.5764 6.0074 6.0074 6.0074 6.0074 6.2342 6.2342 6.2344 6.2344 6.5825 6.5825 6.5827 6.5827 k = 0.5000 0.4714 0.1713 ( 7556 PWs) bands (ev): -21.4784 -21.4784 -21.4784 -21.4784 -21.4754 -21.4754 -21.4754 -21.4754 -13.1071 -13.1071 -13.1071 -13.1071 -13.0853 -13.0853 -13.0853 -13.0853 -8.3394 -8.3394 -8.3394 -8.3394 -8.2763 -8.2763 -8.2762 -8.2762 -6.6603 -6.6603 -6.6601 -6.6601 -6.5281 -6.5281 -6.5279 -6.5279 -6.0988 -6.0988 -6.0988 -6.0988 -6.0811 -6.0811 -6.0809 -6.0809 -3.5418 -3.5418 -3.5417 -3.5417 -3.5134 -3.5134 -3.5133 -3.5133 -1.6748 -1.6748 -1.6748 -1.6748 -1.5832 -1.5832 -1.5832 -1.5832 6.0230 6.0230 6.0230 6.0230 6.2237 6.2237 6.2239 6.2239 6.6110 6.6110 6.6112 6.6112 k = 0.5000 0.4714 0.1856 ( 7568 PWs) bands (ev): -21.4781 -21.4781 -21.4781 -21.4781 -21.4756 -21.4756 -21.4756 -21.4756 -13.1054 -13.1054 -13.1054 -13.1054 -13.0870 -13.0870 -13.0870 -13.0870 -8.3345 -8.3345 -8.3345 -8.3345 -8.2811 -8.2811 -8.2811 -8.2811 -6.6514 -6.6514 -6.6512 -6.6512 -6.5400 -6.5400 -6.5398 -6.5398 -6.0958 -6.0958 -6.0958 -6.0958 -6.0812 -6.0812 -6.0811 -6.0811 -3.5396 -3.5396 -3.5395 -3.5395 -3.5155 -3.5155 -3.5154 -3.5154 -1.6677 -1.6677 -1.6677 -1.6677 -1.5903 -1.5903 -1.5903 -1.5903 6.0394 6.0394 6.0394 6.0394 6.2111 6.2111 6.2112 6.2112 6.6436 6.6436 6.6438 6.6438 k = 0.5000 0.4714 0.1999 ( 7572 PWs) bands (ev): -21.4779 -21.4779 -21.4779 -21.4779 -21.4758 -21.4758 -21.4758 -21.4758 -13.1037 -13.1037 -13.1037 -13.1037 -13.0888 -13.0888 -13.0888 -13.0888 -8.3294 -8.3294 -8.3294 -8.3294 -8.2862 -8.2862 -8.2862 -8.2862 -6.6419 -6.6419 -6.6417 -6.6417 -6.5520 -6.5520 -6.5518 -6.5518 -6.0932 -6.0932 -6.0931 -6.0931 -6.0815 -6.0815 -6.0814 -6.0814 -3.5373 -3.5373 -3.5371 -3.5371 -3.5178 -3.5178 -3.5177 -3.5177 -1.6604 -1.6604 -1.6604 -1.6604 -1.5977 -1.5977 -1.5977 -1.5977 6.0565 6.0565 6.0565 6.0565 6.1967 6.1967 6.1968 6.1968 6.6798 6.6798 6.6800 6.6800 k = 0.5000 0.4714 0.2142 ( 7568 PWs) bands (ev): -21.4777 -21.4777 -21.4777 -21.4777 -21.4761 -21.4761 -21.4761 -21.4761 -13.1019 -13.1019 -13.1019 -13.1019 -13.0906 -13.0906 -13.0906 -13.0906 -8.3242 -8.3242 -8.3241 -8.3241 -8.2915 -8.2915 -8.2914 -8.2914 -6.6319 -6.6319 -6.6317 -6.6317 -6.5640 -6.5640 -6.5638 -6.5638 -6.0908 -6.0908 -6.0907 -6.0907 -6.0821 -6.0821 -6.0819 -6.0819 -3.5349 -3.5349 -3.5347 -3.5347 -3.5201 -3.5201 -3.5200 -3.5200 -1.6528 -1.6528 -1.6528 -1.6528 -1.6053 -1.6053 -1.6053 -1.6053 6.0741 6.0741 6.0741 6.0741 6.1809 6.1809 6.1810 6.1810 6.7195 6.7195 6.7196 6.7196 k = 0.5000 0.4714 0.2285 ( 7572 PWs) bands (ev): -21.4774 -21.4774 -21.4774 -21.4774 -21.4764 -21.4764 -21.4764 -21.4764 -13.1000 -13.1000 -13.1000 -13.1000 -13.0925 -13.0925 -13.0924 -13.0924 -8.3188 -8.3188 -8.3187 -8.3187 -8.2968 -8.2968 -8.2968 -8.2968 -6.6214 -6.6214 -6.6212 -6.6212 -6.5759 -6.5759 -6.5757 -6.5757 -6.0887 -6.0887 -6.0886 -6.0886 -6.0828 -6.0828 -6.0826 -6.0826 -3.5324 -3.5324 -3.5323 -3.5323 -3.5225 -3.5225 -3.5224 -3.5224 -1.6450 -1.6450 -1.6450 -1.6450 -1.6132 -1.6132 -1.6131 -1.6131 6.0921 6.0921 6.0921 6.0921 6.1641 6.1641 6.1642 6.1642 6.7621 6.7621 6.7623 6.7623 k = 0.5000 0.4714 0.2427 ( 7580 PWs) bands (ev): -21.4772 -21.4772 -21.4771 -21.4771 -21.4766 -21.4766 -21.4766 -21.4766 -13.0982 -13.0982 -13.0981 -13.0981 -13.0944 -13.0944 -13.0943 -13.0943 -8.3133 -8.3133 -8.3133 -8.3133 -8.3023 -8.3023 -8.3023 -8.3023 -6.6105 -6.6105 -6.6103 -6.6103 -6.5877 -6.5877 -6.5875 -6.5875 -6.0870 -6.0870 -6.0868 -6.0868 -6.0838 -6.0838 -6.0834 -6.0834 -3.5300 -3.5300 -3.5298 -3.5298 -3.5249 -3.5249 -3.5249 -3.5249 -1.6371 -1.6371 -1.6370 -1.6370 -1.6211 -1.6211 -1.6211 -1.6211 6.1103 6.1103 6.1103 6.1103 6.1465 6.1465 6.1466 6.1466 6.8074 6.8074 6.8075 6.8075 k = 0.5000 0.4714 0.2570 ( 7568 PWs) bands (ev): -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -21.4769 -13.0963 -13.0963 -13.0963 -13.0963 -13.0962 -13.0962 -13.0962 -13.0962 -8.3082 -8.3082 -8.3080 -8.3080 -8.3075 -8.3075 -8.3074 -8.3074 -6.5999 -6.5999 -6.5991 -6.5991 -6.5990 -6.5990 -6.5986 -6.5986 -6.0862 -6.0862 -6.0855 -6.0855 -6.0848 -6.0848 -6.0840 -6.0840 -3.5280 -3.5280 -3.5275 -3.5275 -3.5272 -3.5272 -3.5269 -3.5269 -1.6296 -1.6296 -1.6291 -1.6291 -1.6290 -1.6290 -1.6286 -1.6286 6.1275 6.1275 6.1280 6.1280 6.1292 6.1292 6.1295 6.1295 6.8550 6.8550 6.8552 6.8552 Writing output data file H4CO.save init_run : 0.76s CPU 0.48s WALL ( 1 calls) electrons : 499.51s CPU 388.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 499.50s CPU 388.82s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.46s CPU 0.49s WALL ( 348 calls) cegterg : 428.81s CPU 345.65s WALL ( 498 calls) Called by sum_band: Called by *egterg: h_psi : 296.96s CPU 204.86s WALL ( 8314 calls) s_psi : 11.98s CPU 8.71s WALL ( 8314 calls) g_psi : 0.73s CPU 0.65s WALL ( 7468 calls) cdiaghg : 120.24s CPU 113.56s WALL ( 7816 calls) cegterg:over : 21.50s CPU 19.08s WALL ( 7468 calls) cegterg:upda : 20.86s CPU 18.40s WALL ( 7468 calls) cegterg:last : 7.50s CPU 7.63s WALL ( 1262 calls) cdiaghg:chol : 6.84s CPU 6.61s WALL ( 7816 calls) cdiaghg:inve : 5.04s CPU 4.74s WALL ( 7816 calls) cdiaghg:para : 8.11s CPU 8.01s WALL ( 15632 calls) Called by h_psi: h_psi:vloc : 267.51s CPU 182.84s WALL ( 8314 calls) h_psi:vnl : 28.58s CPU 21.37s WALL ( 8314 calls) add_vuspsi : 13.24s CPU 9.58s WALL ( 8314 calls) General routines calbec : 15.29s CPU 11.76s WALL ( 8314 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 252.52s CPU 171.39s WALL ( 1155664 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.52s CPU 2.22s WALL ( 696 calls) Parallel routines fft_scatter : 89.67s CPU 69.05s WALL ( 1155687 calls) PWSCF : 8m51.45s CPU 7m39.71s WALL This run was terminated on: 0:38:13 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=