Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 7: 9: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PtxS3Nx2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 27 7 5907 1520 219 Max 68 28 8 5918 1546 230 Sum 4891 1981 559 425837 110243 16153 bravais-lattice index = 14 lattice parameter (alat) = 12.7934 a.u. unit-cell volume = 2799.1152 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.793445 celldm(2)= 1.000000 celldm(3)= 1.543575 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.543575 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.647847 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Pt 10.00 195.08400 Pt( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 205 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048780 k( 2) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0048780 k( 3) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0048780 k( 4) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0048780 k( 5) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0048780 k( 6) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0048780 k( 7) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0048780 k( 8) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0048780 k( 9) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0048780 k( 10) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0048780 k( 11) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0048780 k( 12) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0048780 k( 13) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0048780 k( 14) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0048780 k( 15) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0048780 k( 16) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0048780 k( 17) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0048780 k( 18) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0048780 k( 19) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0048780 k( 20) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0048780 k( 21) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0048780 k( 22) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0048780 k( 23) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0048780 k( 24) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0048780 k( 25) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0048780 k( 26) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0048780 k( 27) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0048780 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0048780 k( 29) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0048780 k( 30) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0048780 k( 31) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0048780 k( 32) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0048780 k( 33) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0048780 k( 34) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0048780 k( 35) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0048780 k( 36) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0048780 k( 37) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0048780 k( 38) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0048780 k( 39) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0048780 k( 40) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0048780 k( 41) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0048780 k( 42) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0048780 k( 43) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0048780 k( 44) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0048780 k( 45) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0048780 k( 46) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0048780 k( 47) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0048780 k( 48) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0048780 k( 49) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0048780 k( 50) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0048780 k( 51) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0048780 k( 52) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0048780 k( 53) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0048780 k( 54) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0048780 k( 55) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0048780 k( 56) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0048780 k( 57) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0048780 k( 58) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0048780 k( 59) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0048780 k( 60) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0048780 k( 61) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0048780 k( 62) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0048780 k( 63) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0048780 k( 64) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0048780 k( 65) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0048780 k( 66) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0048780 k( 67) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0048780 k( 68) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0048780 k( 69) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0048780 k( 70) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0048780 k( 71) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0048780 k( 72) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0048780 k( 73) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0048780 k( 74) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0048780 k( 75) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0048780 k( 76) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0048780 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048780 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048780 k( 79) = ( 0.0000000 0.0000000 0.0202452), wk = 0.0048780 k( 80) = ( 0.0000000 0.0000000 0.0404904), wk = 0.0048780 k( 81) = ( 0.0000000 0.0000000 0.0607356), wk = 0.0048780 k( 82) = ( 0.0000000 0.0000000 0.0809809), wk = 0.0048780 k( 83) = ( 0.0000000 0.0000000 0.1012261), wk = 0.0048780 k( 84) = ( 0.0000000 0.0000000 0.1214713), wk = 0.0048780 k( 85) = ( 0.0000000 0.0000000 0.1417165), wk = 0.0048780 k( 86) = ( 0.0000000 0.0000000 0.1619617), wk = 0.0048780 k( 87) = ( 0.0000000 0.0000000 0.1822069), wk = 0.0048780 k( 88) = ( 0.0000000 0.0000000 0.2024522), wk = 0.0048780 k( 89) = ( 0.0000000 0.0000000 0.2226974), wk = 0.0048780 k( 90) = ( 0.0000000 0.0000000 0.2429426), wk = 0.0048780 k( 91) = ( 0.0000000 0.0000000 0.2631878), wk = 0.0048780 k( 92) = ( 0.0000000 0.0000000 0.2834330), wk = 0.0048780 k( 93) = ( 0.0000000 0.0000000 0.3036782), wk = 0.0048780 k( 94) = ( 0.0000000 0.0000000 0.3239234), wk = 0.0048780 k( 95) = ( 0.0000000 0.0000000 0.3239234), wk = 0.0048780 k( 96) = ( 0.0185185 0.0106917 0.3239234), wk = 0.0048780 k( 97) = ( 0.0370370 0.0213833 0.3239234), wk = 0.0048780 k( 98) = ( 0.0555556 0.0320750 0.3239234), wk = 0.0048780 k( 99) = ( 0.0740741 0.0427667 0.3239234), wk = 0.0048780 k( 100) = ( 0.0925926 0.0534584 0.3239234), wk = 0.0048780 k( 101) = ( 0.1111111 0.0641500 0.3239234), wk = 0.0048780 k( 102) = ( 0.1296296 0.0748417 0.3239234), wk = 0.0048780 k( 103) = ( 0.1481482 0.0855334 0.3239234), wk = 0.0048780 k( 104) = ( 0.1666667 0.0962250 0.3239234), wk = 0.0048780 k( 105) = ( 0.1851852 0.1069167 0.3239234), wk = 0.0048780 k( 106) = ( 0.2037037 0.1176084 0.3239234), wk = 0.0048780 k( 107) = ( 0.2222222 0.1283001 0.3239234), wk = 0.0048780 k( 108) = ( 0.2407407 0.1389917 0.3239234), wk = 0.0048780 k( 109) = ( 0.2592593 0.1496834 0.3239234), wk = 0.0048780 k( 110) = ( 0.2777778 0.1603751 0.3239234), wk = 0.0048780 k( 111) = ( 0.2962963 0.1710667 0.3239234), wk = 0.0048780 k( 112) = ( 0.3148148 0.1817584 0.3239234), wk = 0.0048780 k( 113) = ( 0.3333333 0.1924501 0.3239234), wk = 0.0048780 k( 114) = ( 0.3518519 0.2031418 0.3239234), wk = 0.0048780 k( 115) = ( 0.3703704 0.2138334 0.3239234), wk = 0.0048780 k( 116) = ( 0.3888889 0.2245251 0.3239234), wk = 0.0048780 k( 117) = ( 0.4074074 0.2352168 0.3239234), wk = 0.0048780 k( 118) = ( 0.4259259 0.2459085 0.3239234), wk = 0.0048780 k( 119) = ( 0.4444444 0.2566001 0.3239234), wk = 0.0048780 k( 120) = ( 0.4629630 0.2672918 0.3239234), wk = 0.0048780 k( 121) = ( 0.4814815 0.2779835 0.3239234), wk = 0.0048780 k( 122) = ( 0.5000000 0.2886751 0.3239234), wk = 0.0048780 k( 123) = ( 0.5000000 0.2886751 0.3239234), wk = 0.0048780 k( 124) = ( 0.4895833 0.3067173 0.3239234), wk = 0.0048780 k( 125) = ( 0.4791667 0.3247595 0.3239234), wk = 0.0048780 k( 126) = ( 0.4687500 0.3428017 0.3239234), wk = 0.0048780 k( 127) = ( 0.4583333 0.3608439 0.3239234), wk = 0.0048780 k( 128) = ( 0.4479167 0.3788861 0.3239234), wk = 0.0048780 k( 129) = ( 0.4375000 0.3969283 0.3239234), wk = 0.0048780 k( 130) = ( 0.4270833 0.4149705 0.3239234), wk = 0.0048780 k( 131) = ( 0.4166667 0.4330127 0.3239234), wk = 0.0048780 k( 132) = ( 0.4062500 0.4510549 0.3239234), wk = 0.0048780 k( 133) = ( 0.3958333 0.4690971 0.3239234), wk = 0.0048780 k( 134) = ( 0.3854167 0.4871393 0.3239234), wk = 0.0048780 k( 135) = ( 0.3750000 0.5051815 0.3239234), wk = 0.0048780 k( 136) = ( 0.3645833 0.5232237 0.3239234), wk = 0.0048780 k( 137) = ( 0.3541667 0.5412659 0.3239234), wk = 0.0048780 k( 138) = ( 0.3437500 0.5593081 0.3239234), wk = 0.0048780 k( 139) = ( 0.3333333 0.5773503 0.3239234), wk = 0.0048780 k( 140) = ( 0.3333333 0.5773503 0.3239234), wk = 0.0048780 k( 141) = ( 0.3225807 0.5587261 0.3239234), wk = 0.0048780 k( 142) = ( 0.3118280 0.5401019 0.3239234), wk = 0.0048780 k( 143) = ( 0.3010753 0.5214777 0.3239234), wk = 0.0048780 k( 144) = ( 0.2903226 0.5028535 0.3239234), wk = 0.0048780 k( 145) = ( 0.2795699 0.4842293 0.3239234), wk = 0.0048780 k( 146) = ( 0.2688172 0.4656050 0.3239234), wk = 0.0048780 k( 147) = ( 0.2580645 0.4469809 0.3239234), wk = 0.0048780 k( 148) = ( 0.2473118 0.4283567 0.3239234), wk = 0.0048780 k( 149) = ( 0.2365591 0.4097324 0.3239234), wk = 0.0048780 k( 150) = ( 0.2258064 0.3911082 0.3239234), wk = 0.0048780 k( 151) = ( 0.2150538 0.3724840 0.3239234), wk = 0.0048780 k( 152) = ( 0.2043011 0.3538599 0.3239234), wk = 0.0048780 k( 153) = ( 0.1935484 0.3352356 0.3239234), wk = 0.0048780 k( 154) = ( 0.1827957 0.3166114 0.3239234), wk = 0.0048780 k( 155) = ( 0.1720430 0.2979872 0.3239234), wk = 0.0048780 k( 156) = ( 0.1612903 0.2793630 0.3239234), wk = 0.0048780 k( 157) = ( 0.1505376 0.2607388 0.3239234), wk = 0.0048780 k( 158) = ( 0.1397849 0.2421146 0.3239234), wk = 0.0048780 k( 159) = ( 0.1290323 0.2234904 0.3239234), wk = 0.0048780 k( 160) = ( 0.1182796 0.2048662 0.3239234), wk = 0.0048780 k( 161) = ( 0.1075269 0.1862420 0.3239234), wk = 0.0048780 k( 162) = ( 0.0967742 0.1676178 0.3239234), wk = 0.0048780 k( 163) = ( 0.0860215 0.1489936 0.3239234), wk = 0.0048780 k( 164) = ( 0.0752688 0.1303694 0.3239234), wk = 0.0048780 k( 165) = ( 0.0645161 0.1117452 0.3239234), wk = 0.0048780 k( 166) = ( 0.0537634 0.0931210 0.3239234), wk = 0.0048780 k( 167) = ( 0.0430108 0.0744968 0.3239234), wk = 0.0048780 k( 168) = ( 0.0322581 0.0558726 0.3239234), wk = 0.0048780 k( 169) = ( 0.0215054 0.0372484 0.3239234), wk = 0.0048780 k( 170) = ( 0.0107527 0.0186242 0.3239234), wk = 0.0048780 k( 171) = ( 0.0000000 0.0000000 0.3239234), wk = 0.0048780 k( 172) = ( 0.5000000 0.2886751 0.3239234), wk = 0.0048780 k( 173) = ( 0.5000000 0.2886751 0.3036782), wk = 0.0048780 k( 174) = ( 0.5000000 0.2886751 0.2834330), wk = 0.0048780 k( 175) = ( 0.5000000 0.2886751 0.2631878), wk = 0.0048780 k( 176) = ( 0.5000000 0.2886751 0.2429426), wk = 0.0048780 k( 177) = ( 0.5000000 0.2886751 0.2226974), wk = 0.0048780 k( 178) = ( 0.5000000 0.2886751 0.2024522), wk = 0.0048780 k( 179) = ( 0.5000000 0.2886751 0.1822069), wk = 0.0048780 k( 180) = ( 0.5000000 0.2886751 0.1619617), wk = 0.0048780 k( 181) = ( 0.5000000 0.2886751 0.1417165), wk = 0.0048780 k( 182) = ( 0.5000000 0.2886751 0.1214713), wk = 0.0048780 k( 183) = ( 0.5000000 0.2886751 0.1012261), wk = 0.0048780 k( 184) = ( 0.5000000 0.2886751 0.0809809), wk = 0.0048780 k( 185) = ( 0.5000000 0.2886751 0.0607356), wk = 0.0048780 k( 186) = ( 0.5000000 0.2886751 0.0404904), wk = 0.0048780 k( 187) = ( 0.5000000 0.2886751 0.0202452), wk = 0.0048780 k( 188) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0048780 k( 189) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0048780 k( 190) = ( 0.3333333 0.5773503 0.0202452), wk = 0.0048780 k( 191) = ( 0.3333333 0.5773503 0.0404904), wk = 0.0048780 k( 192) = ( 0.3333333 0.5773503 0.0607356), wk = 0.0048780 k( 193) = ( 0.3333333 0.5773503 0.0809809), wk = 0.0048780 k( 194) = ( 0.3333333 0.5773503 0.1012261), wk = 0.0048780 k( 195) = ( 0.3333333 0.5773503 0.1214713), wk = 0.0048780 k( 196) = ( 0.3333333 0.5773503 0.1417165), wk = 0.0048780 k( 197) = ( 0.3333333 0.5773503 0.1619617), wk = 0.0048780 k( 198) = ( 0.3333333 0.5773503 0.1822069), wk = 0.0048780 k( 199) = ( 0.3333333 0.5773503 0.2024522), wk = 0.0048780 k( 200) = ( 0.3333333 0.5773503 0.2226974), wk = 0.0048780 k( 201) = ( 0.3333333 0.5773503 0.2429426), wk = 0.0048780 k( 202) = ( 0.3333333 0.5773503 0.2631878), wk = 0.0048780 k( 203) = ( 0.3333333 0.5773503 0.2834330), wk = 0.0048780 k( 204) = ( 0.3333333 0.5773503 0.3036782), wk = 0.0048780 k( 205) = ( 0.3333333 0.5773503 0.3239234), wk = 0.0048780 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048780 k( 2) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0048780 k( 3) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0048780 k( 4) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0048780 k( 5) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0048780 k( 6) = ( 0.0925926 0.0000000 -0.0000000), wk = 0.0048780 k( 7) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0048780 k( 8) = ( 0.1296296 -0.0000000 -0.0000000), wk = 0.0048780 k( 9) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0048780 k( 10) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0048780 k( 11) = ( 0.1851852 0.0000000 -0.0000000), wk = 0.0048780 k( 12) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0048780 k( 13) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0048780 k( 14) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0048780 k( 15) = ( 0.2592593 -0.0000000 -0.0000000), wk = 0.0048780 k( 16) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0048780 k( 17) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0048780 k( 18) = ( 0.3148148 -0.0000000 0.0000000), wk = 0.0048780 k( 19) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0048780 k( 20) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0048780 k( 21) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0048780 k( 22) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0048780 k( 23) = ( 0.4074074 0.0000000 0.0000000), wk = 0.0048780 k( 24) = ( 0.4259259 0.0000000 -0.0000000), wk = 0.0048780 k( 25) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0048780 k( 26) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0048780 k( 27) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0048780 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048780 k( 29) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048780 k( 30) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0048780 k( 31) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0048780 k( 32) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0048780 k( 33) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0048780 k( 34) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0048780 k( 35) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0048780 k( 36) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0048780 k( 37) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0048780 k( 38) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0048780 k( 39) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0048780 k( 40) = ( 0.3854167 0.2291667 -0.0000000), wk = 0.0048780 k( 41) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0048780 k( 42) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0048780 k( 43) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0048780 k( 44) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0048780 k( 45) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0048780 k( 46) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0048780 k( 47) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0048780 k( 48) = ( 0.3118280 0.3118280 0.0000000), wk = 0.0048780 k( 49) = ( 0.3010753 0.3010753 -0.0000000), wk = 0.0048780 k( 50) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0048780 k( 51) = ( 0.2795699 0.2795699 -0.0000000), wk = 0.0048780 k( 52) = ( 0.2688172 0.2688172 -0.0000000), wk = 0.0048780 k( 53) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0048780 k( 54) = ( 0.2473118 0.2473118 0.0000000), wk = 0.0048780 k( 55) = ( 0.2365591 0.2365591 -0.0000000), wk = 0.0048780 k( 56) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0048780 k( 57) = ( 0.2150538 0.2150538 0.0000000), wk = 0.0048780 k( 58) = ( 0.2043011 0.2043011 -0.0000000), wk = 0.0048780 k( 59) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0048780 k( 60) = ( 0.1827957 0.1827957 -0.0000000), wk = 0.0048780 k( 61) = ( 0.1720430 0.1720430 -0.0000000), wk = 0.0048780 k( 62) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0048780 k( 63) = ( 0.1505376 0.1505376 0.0000000), wk = 0.0048780 k( 64) = ( 0.1397849 0.1397849 0.0000000), wk = 0.0048780 k( 65) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0048780 k( 66) = ( 0.1182796 0.1182796 -0.0000000), wk = 0.0048780 k( 67) = ( 0.1075269 0.1075269 0.0000000), wk = 0.0048780 k( 68) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0048780 k( 69) = ( 0.0860215 0.0860215 0.0000000), wk = 0.0048780 k( 70) = ( 0.0752688 0.0752688 0.0000000), wk = 0.0048780 k( 71) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0048780 k( 72) = ( 0.0537634 0.0537634 0.0000000), wk = 0.0048780 k( 73) = ( 0.0430108 0.0430108 0.0000000), wk = 0.0048780 k( 74) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0048780 k( 75) = ( 0.0215054 0.0215054 -0.0000000), wk = 0.0048780 k( 76) = ( 0.0107527 0.0107527 -0.0000000), wk = 0.0048780 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048780 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048780 k( 79) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0048780 k( 80) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0048780 k( 81) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0048780 k( 82) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0048780 k( 83) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0048780 k( 84) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0048780 k( 85) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0048780 k( 86) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0048780 k( 87) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0048780 k( 88) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0048780 k( 89) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0048780 k( 90) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0048780 k( 91) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0048780 k( 92) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0048780 k( 93) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0048780 k( 94) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048780 k( 95) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048780 k( 96) = ( 0.0185185 -0.0000000 0.5000000), wk = 0.0048780 k( 97) = ( 0.0370370 -0.0000000 0.5000000), wk = 0.0048780 k( 98) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0048780 k( 99) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0048780 k( 100) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0048780 k( 101) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0048780 k( 102) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0048780 k( 103) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0048780 k( 104) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0048780 k( 105) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0048780 k( 106) = ( 0.2037037 -0.0000000 0.5000000), wk = 0.0048780 k( 107) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0048780 k( 108) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0048780 k( 109) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0048780 k( 110) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0048780 k( 111) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0048780 k( 112) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0048780 k( 113) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0048780 k( 114) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0048780 k( 115) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0048780 k( 116) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0048780 k( 117) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0048780 k( 118) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0048780 k( 119) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0048780 k( 120) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0048780 k( 121) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0048780 k( 122) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048780 k( 123) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048780 k( 124) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0048780 k( 125) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0048780 k( 126) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0048780 k( 127) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0048780 k( 128) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0048780 k( 129) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0048780 k( 130) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0048780 k( 131) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0048780 k( 132) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0048780 k( 133) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0048780 k( 134) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0048780 k( 135) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0048780 k( 136) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0048780 k( 137) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0048780 k( 138) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0048780 k( 139) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0048780 k( 140) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0048780 k( 141) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0048780 k( 142) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0048780 k( 143) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0048780 k( 144) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0048780 k( 145) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0048780 k( 146) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0048780 k( 147) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0048780 k( 148) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0048780 k( 149) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0048780 k( 150) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0048780 k( 151) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0048780 k( 152) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0048780 k( 153) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0048780 k( 154) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0048780 k( 155) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0048780 k( 156) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0048780 k( 157) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0048780 k( 158) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0048780 k( 159) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0048780 k( 160) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0048780 k( 161) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0048780 k( 162) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0048780 k( 163) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0048780 k( 164) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0048780 k( 165) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0048780 k( 166) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0048780 k( 167) = ( 0.0430108 0.0430108 0.5000000), wk = 0.0048780 k( 168) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0048780 k( 169) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0048780 k( 170) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0048780 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048780 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048780 k( 173) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0048780 k( 174) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0048780 k( 175) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0048780 k( 176) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0048780 k( 177) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0048780 k( 178) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0048780 k( 179) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0048780 k( 180) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0048780 k( 181) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0048780 k( 182) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0048780 k( 183) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0048780 k( 184) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0048780 k( 185) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0048780 k( 186) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0048780 k( 187) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0048780 k( 188) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048780 k( 189) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0048780 k( 190) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0048780 k( 191) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0048780 k( 192) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0048780 k( 193) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0048780 k( 194) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0048780 k( 195) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0048780 k( 196) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0048780 k( 197) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0048780 k( 198) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0048780 k( 199) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0048780 k( 200) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0048780 k( 201) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0048780 k( 202) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0048780 k( 203) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0048780 k( 204) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0048780 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0048780 Dense grid: 425837 G-vectors FFT dimensions: ( 90, 90, 135) Smooth grid: 110243 G-vectors FFT dimensions: ( 60, 60, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 400, 68) NL pseudopotentials 0.81 Mb ( 200, 266) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 5918) G-vector shells 0.02 Mb ( 2759) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.66 Mb ( 400, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.55 Mb ( 266, 2, 68) The potential is recalculated from file : ./PtxS3Nx2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.4 secs Computing kpt #: 3 total cpu time spent up to now is 9.6 secs Computing kpt #: 4 total cpu time spent up to now is 11.8 secs Computing kpt #: 5 total cpu time spent up to now is 14.0 secs Computing kpt #: 6 total cpu time spent up to now is 16.1 secs Computing kpt #: 7 total cpu time spent up to now is 18.4 secs Computing kpt #: 8 total cpu time spent up to now is 20.5 secs Computing kpt #: 9 total cpu time spent up to now is 22.6 secs Computing kpt #: 10 total cpu time spent up to now is 24.7 secs Computing kpt #: 11 total cpu time spent up to now is 26.9 secs Computing kpt #: 12 total cpu time spent up to now is 29.1 secs Computing kpt #: 13 total cpu time spent up to now is 31.2 secs Computing kpt #: 14 total cpu time spent up to now is 33.2 secs Computing kpt #: 15 total cpu time spent up to now is 35.3 secs Computing kpt #: 16 total cpu time spent up to now is 37.4 secs Computing kpt #: 17 total cpu time spent up to now is 39.5 secs Computing kpt #: 18 total cpu time spent up to now is 41.6 secs Computing kpt #: 19 total cpu time spent up to now is 43.9 secs Computing kpt #: 20 total cpu time spent up to now is 45.9 secs Computing kpt #: 21 total cpu time spent up to now is 47.7 secs Computing kpt #: 22 total cpu time spent up to now is 49.8 secs Computing kpt #: 23 total cpu time spent up to now is 51.7 secs Computing kpt #: 24 total cpu time spent up to now is 53.4 secs Computing kpt #: 25 total cpu time spent up to now is 55.5 secs Computing kpt #: 26 total cpu time spent up to now is 57.1 secs Computing kpt #: 27 total cpu time spent up to now is 58.9 secs Computing kpt #: 28 total cpu time spent up to now is 61.0 secs Computing kpt #: 29 total cpu time spent up to now is 63.1 secs Computing kpt #: 30 total cpu time spent up to now is 64.7 secs Computing kpt #: 31 total cpu time spent up to now is 66.7 secs Computing kpt #: 32 total cpu time spent up to now is 68.7 secs Computing kpt #: 33 total cpu time spent up to now is 70.5 secs Computing kpt #: 34 total cpu time spent up to now is 72.6 secs Computing kpt #: 35 total cpu time spent up to now is 74.3 secs Computing kpt #: 36 total cpu time spent up to now is 76.1 secs Computing kpt #: 37 total cpu time spent up to now is 78.3 secs Computing kpt #: 38 total cpu time spent up to now is 80.1 secs Computing kpt #: 39 total cpu time spent up to now is 82.3 secs Computing kpt #: 40 total cpu time spent up to now is 84.4 secs Computing kpt #: 41 total cpu time spent up to now is 86.4 secs Computing kpt #: 42 total cpu time spent up to now is 88.2 secs Computing kpt #: 43 total cpu time spent up to now is 90.1 secs Computing kpt #: 44 total cpu time spent up to now is 92.2 secs Computing kpt #: 45 total cpu time spent up to now is 94.7 secs Computing kpt #: 46 total cpu time spent up to now is 96.9 secs Computing kpt #: 47 total cpu time spent up to now is 98.9 secs Computing kpt #: 48 total cpu time spent up to now is 100.8 secs Computing kpt #: 49 total cpu time spent up to now is 102.9 secs Computing kpt #: 50 total cpu time spent up to now is 104.7 secs Computing kpt #: 51 total cpu time spent up to now is 107.0 secs Computing kpt #: 52 total cpu time spent up to now is 109.2 secs Computing kpt #: 53 total cpu time spent up to now is 111.3 secs Computing kpt #: 54 total cpu time spent up to now is 113.6 secs Computing kpt #: 55 total cpu time spent up to now is 116.0 secs Computing kpt #: 56 total cpu time spent up to now is 118.3 secs Computing kpt #: 57 total cpu time spent up to now is 120.8 secs Computing kpt #: 58 total cpu time spent up to now is 123.0 secs Computing kpt #: 59 total cpu time spent up to now is 125.1 secs Computing kpt #: 60 total cpu time spent up to now is 127.5 secs Computing kpt #: 61 total cpu time spent up to now is 129.8 secs Computing kpt #: 62 total cpu time spent up to now is 132.1 secs Computing kpt #: 63 total cpu time spent up to now is 134.3 secs Computing kpt #: 64 total cpu time spent up to now is 136.5 secs Computing kpt #: 65 total cpu time spent up to now is 138.5 secs Computing kpt #: 66 total cpu time spent up to now is 140.8 secs Computing kpt #: 67 total cpu time spent up to now is 143.0 secs Computing kpt #: 68 total cpu time spent up to now is 145.3 secs Computing kpt #: 69 total cpu time spent up to now is 147.5 secs Computing kpt #: 70 total cpu time spent up to now is 149.7 secs Computing kpt #: 71 total cpu time spent up to now is 152.1 secs Computing kpt #: 72 total cpu time spent up to now is 154.3 secs Computing kpt #: 73 total cpu time spent up to now is 156.4 secs Computing kpt #: 74 total cpu time spent up to now is 158.6 secs Computing kpt #: 75 total cpu time spent up to now is 160.8 secs Computing kpt #: 76 total cpu time spent up to now is 163.1 secs Computing kpt #: 77 total cpu time spent up to now is 165.3 secs Computing kpt #: 78 total cpu time spent up to now is 167.6 secs Computing kpt #: 79 total cpu time spent up to now is 170.2 secs Computing kpt #: 80 total cpu time spent up to now is 172.4 secs Computing kpt #: 81 total cpu time spent up to now is 174.5 secs Computing kpt #: 82 total cpu time spent up to now is 176.7 secs Computing kpt #: 83 total cpu time spent up to now is 178.8 secs Computing kpt #: 84 total cpu time spent up to now is 180.9 secs Computing kpt #: 85 total cpu time spent up to now is 183.0 secs Computing kpt #: 86 total cpu time spent up to now is 185.2 secs Computing kpt #: 87 total cpu time spent up to now is 187.2 secs Computing kpt #: 88 total cpu time spent up to now is 189.3 secs Computing kpt #: 89 total cpu time spent up to now is 191.5 secs Computing kpt #: 90 total cpu time spent up to now is 193.6 secs Computing kpt #: 91 total cpu time spent up to now is 195.7 secs Computing kpt #: 92 total cpu time spent up to now is 197.8 secs Computing kpt #: 93 total cpu time spent up to now is 200.1 secs Computing kpt #: 94 total cpu time spent up to now is 202.3 secs Computing kpt #: 95 total cpu time spent up to now is 204.6 secs Computing kpt #: 96 total cpu time spent up to now is 206.9 secs Computing kpt #: 97 total cpu time spent up to now is 209.8 secs Computing kpt #: 98 total cpu time spent up to now is 211.9 secs Computing kpt #: 99 total cpu time spent up to now is 214.2 secs Computing kpt #: 100 total cpu time spent up to now is 216.5 secs Computing kpt #: 101 total cpu time spent up to now is 218.6 secs Computing kpt #: 102 total cpu time spent up to now is 220.9 secs Computing kpt #: 103 total cpu time spent up to now is 223.1 secs Computing kpt #: 104 total cpu time spent up to now is 225.3 secs Computing kpt #: 105 total cpu time spent up to now is 227.6 secs Computing kpt #: 106 total cpu time spent up to now is 229.7 secs Computing kpt #: 107 total cpu time spent up to now is 231.6 secs Computing kpt #: 108 total cpu time spent up to now is 233.8 secs Computing kpt #: 109 total cpu time spent up to now is 236.0 secs Computing kpt #: 110 total cpu time spent up to now is 238.1 secs Computing kpt #: 111 total cpu time spent up to now is 240.2 secs Computing kpt #: 112 total cpu time spent up to now is 242.0 secs Computing kpt #: 113 total cpu time spent up to now is 243.8 secs Computing kpt #: 114 total cpu time spent up to now is 245.6 secs Computing kpt #: 115 total cpu time spent up to now is 247.8 secs Computing kpt #: 116 total cpu time spent up to now is 249.9 secs Computing kpt #: 117 total cpu time spent up to now is 252.0 secs Computing kpt #: 118 total cpu time spent up to now is 253.7 secs Computing kpt #: 119 total cpu time spent up to now is 257.8 secs Computing kpt #: 120 total cpu time spent up to now is 259.9 secs Computing kpt #: 121 total cpu time spent up to now is 261.6 secs Computing kpt #: 122 total cpu time spent up to now is 263.6 secs Computing kpt #: 123 total cpu time spent up to now is 265.6 secs Computing kpt #: 124 total cpu time spent up to now is 267.7 secs Computing kpt #: 125 total cpu time spent up to now is 269.9 secs Computing kpt #: 126 total cpu time spent up to now is 271.9 secs Computing kpt #: 127 total cpu time spent up to now is 273.6 secs Computing kpt #: 128 total cpu time spent up to now is 275.5 secs Computing kpt #: 129 total cpu time spent up to now is 277.4 secs Computing kpt #: 130 total cpu time spent up to now is 279.3 secs Computing kpt #: 131 total cpu time spent up to now is 281.1 secs Computing kpt #: 132 total cpu time spent up to now is 282.9 secs Computing kpt #: 133 total cpu time spent up to now is 284.8 secs Computing kpt #: 134 total cpu time spent up to now is 286.6 secs Computing kpt #: 135 total cpu time spent up to now is 288.5 secs Computing kpt #: 136 total cpu time spent up to now is 290.4 secs Computing kpt #: 137 total cpu time spent up to now is 292.6 secs Computing kpt #: 138 total cpu time spent up to now is 294.6 secs Computing kpt #: 139 total cpu time spent up to now is 296.7 secs Computing kpt #: 140 total cpu time spent up to now is 299.1 secs Computing kpt #: 141 total cpu time spent up to now is 301.2 secs Computing kpt #: 142 total cpu time spent up to now is 303.2 secs Computing kpt #: 143 total cpu time spent up to now is 305.4 secs Computing kpt #: 144 total cpu time spent up to now is 307.2 secs Computing kpt #: 145 total cpu time spent up to now is 309.2 secs Computing kpt #: 146 total cpu time spent up to now is 311.1 secs Computing kpt #: 147 total cpu time spent up to now is 313.1 secs Computing kpt #: 148 total cpu time spent up to now is 315.4 secs Computing kpt #: 149 total cpu time spent up to now is 317.5 secs Computing kpt #: 150 total cpu time spent up to now is 319.6 secs Computing kpt #: 151 total cpu time spent up to now is 321.5 secs Computing kpt #: 152 total cpu time spent up to now is 323.4 secs Computing kpt #: 153 total cpu time spent up to now is 325.6 secs Computing kpt #: 154 total cpu time spent up to now is 327.8 secs Computing kpt #: 155 total cpu time spent up to now is 329.8 secs Computing kpt #: 156 total cpu time spent up to now is 331.9 secs Computing kpt #: 157 total cpu time spent up to now is 334.1 secs Computing kpt #: 158 total cpu time spent up to now is 336.0 secs Computing kpt #: 159 total cpu time spent up to now is 338.2 secs Computing kpt #: 160 total cpu time spent up to now is 340.3 secs Computing kpt #: 161 total cpu time spent up to now is 342.7 secs Computing kpt #: 162 total cpu time spent up to now is 344.8 secs Computing kpt #: 163 total cpu time spent up to now is 347.3 secs Computing kpt #: 164 total cpu time spent up to now is 349.4 secs Computing kpt #: 165 total cpu time spent up to now is 351.6 secs Computing kpt #: 166 total cpu time spent up to now is 353.8 secs Computing kpt #: 167 total cpu time spent up to now is 355.9 secs Computing kpt #: 168 total cpu time spent up to now is 358.3 secs Computing kpt #: 169 total cpu time spent up to now is 361.2 secs Computing kpt #: 170 total cpu time spent up to now is 363.5 secs Computing kpt #: 171 total cpu time spent up to now is 365.6 secs Computing kpt #: 172 total cpu time spent up to now is 367.6 secs Computing kpt #: 173 total cpu time spent up to now is 369.7 secs Computing kpt #: 174 total cpu time spent up to now is 371.5 secs Computing kpt #: 175 total cpu time spent up to now is 373.6 secs Computing kpt #: 176 total cpu time spent up to now is 375.8 secs Computing kpt #: 177 total cpu time spent up to now is 377.7 secs Computing kpt #: 178 total cpu time spent up to now is 380.3 secs Computing kpt #: 179 total cpu time spent up to now is 382.5 secs Computing kpt #: 180 total cpu time spent up to now is 385.1 secs Computing kpt #: 181 total cpu time spent up to now is 387.6 secs Computing kpt #: 182 total cpu time spent up to now is 390.0 secs Computing kpt #: 183 total cpu time spent up to now is 391.9 secs Computing kpt #: 184 total cpu time spent up to now is 394.4 secs Computing kpt #: 185 total cpu time spent up to now is 396.6 secs Computing kpt #: 186 total cpu time spent up to now is 398.7 secs Computing kpt #: 187 total cpu time spent up to now is 400.8 secs Computing kpt #: 188 total cpu time spent up to now is 402.8 secs Computing kpt #: 189 total cpu time spent up to now is 405.0 secs Computing kpt #: 190 total cpu time spent up to now is 407.3 secs Computing kpt #: 191 total cpu time spent up to now is 409.5 secs Computing kpt #: 192 total cpu time spent up to now is 411.8 secs Computing kpt #: 193 total cpu time spent up to now is 414.3 secs Computing kpt #: 194 total cpu time spent up to now is 416.6 secs Computing kpt #: 195 total cpu time spent up to now is 418.8 secs Computing kpt #: 196 total cpu time spent up to now is 421.0 secs Computing kpt #: 197 total cpu time spent up to now is 423.2 secs Computing kpt #: 198 total cpu time spent up to now is 425.4 secs Computing kpt #: 199 total cpu time spent up to now is 427.6 secs Computing kpt #: 200 total cpu time spent up to now is 429.6 secs Computing kpt #: 201 total cpu time spent up to now is 431.5 secs Computing kpt #: 202 total cpu time spent up to now is 433.6 secs Computing kpt #: 203 total cpu time spent up to now is 435.9 secs Computing kpt #: 204 total cpu time spent up to now is 438.2 secs Computing kpt #: 205 total cpu time spent up to now is 440.3 secs ethr = 1.79E-08, avg # of iterations = 22.5 total cpu time spent up to now is 440.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13799 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2124 -7.2124 -5.8844 -5.8844 -5.3467 -5.3467 -5.1531 -5.1531 -3.3926 -3.3926 -3.3885 -3.3885 -2.7343 -2.7343 -2.6260 -2.6260 -2.5717 -2.5717 -2.4872 -2.4872 -2.1735 -2.1735 -2.0521 -2.0521 -2.0422 -2.0422 -1.9477 -1.9477 -1.8180 -1.8180 -1.8161 -1.8161 -1.7251 -1.7251 -1.7191 -1.7191 -1.6069 -1.6069 -0.9083 -0.9083 -0.8652 -0.8652 k = 0.0185 0.0107-0.0000 ( 13801 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1587 -14.1587 -13.4113 -13.4113 -13.3237 -13.3237 -11.3935 -11.3935 -11.2120 -11.2120 -10.7842 -10.7842 -8.4434 -8.4434 -8.4407 -8.4407 -7.2116 -7.2116 -5.8837 -5.8837 -5.3464 -5.3464 -5.1530 -5.1530 -3.3926 -3.3926 -3.3886 -3.3886 -2.7363 -2.7363 -2.6256 -2.6256 -2.5716 -2.5716 -2.4860 -2.4860 -2.1730 -2.1730 -2.0521 -2.0521 -2.0422 -2.0422 -1.9478 -1.9478 -1.8186 -1.8186 -1.8160 -1.8160 -1.7252 -1.7252 -1.7192 -1.7192 -1.6079 -1.6079 -0.9088 -0.9088 -0.8656 -0.8656 k = 0.0370 0.0214-0.0000 ( 13797 PWs) bands (ev): -18.3967 -18.3967 -16.6180 -16.6180 -16.5903 -16.5903 -15.0449 -15.0449 -14.3809 -14.3809 -14.1592 -14.1592 -13.4111 -13.4111 -13.3239 -13.3239 -11.3934 -11.3934 -11.2120 -11.2120 -10.7841 -10.7841 -8.4446 -8.4446 -8.4412 -8.4412 -7.2093 -7.2093 -5.8813 -5.8813 -5.3454 -5.3454 -5.1525 -5.1525 -3.3930 -3.3930 -3.3889 -3.3889 -2.7422 -2.7422 -2.6246 -2.6246 -2.5712 -2.5712 -2.4826 -2.4826 -2.1717 -2.1717 -2.0521 -2.0521 -2.0422 -2.0422 -1.9482 -1.9482 -1.8204 -1.8204 -1.8162 -1.8162 -1.7255 -1.7255 -1.7192 -1.7192 -1.6108 -1.6108 -0.9104 -0.9104 -0.8670 -0.8670 k = 0.0556 0.0321-0.0000 ( 13801 PWs) bands (ev): -18.3965 -18.3965 -16.6181 -16.6181 -16.5904 -16.5904 -15.0447 -15.0447 -14.3812 -14.3812 -14.1598 -14.1598 -13.4107 -13.4107 -13.3243 -13.3243 -11.3931 -11.3931 -11.2119 -11.2119 -10.7839 -10.7839 -8.4470 -8.4470 -8.4413 -8.4413 -7.2055 -7.2055 -5.8775 -5.8775 -5.3438 -5.3438 -5.1518 -5.1518 -3.3939 -3.3939 -3.3890 -3.3890 -2.7514 -2.7514 -2.6233 -2.6233 -2.5704 -2.5704 -2.4774 -2.4774 -2.1696 -2.1696 -2.0522 -2.0522 -2.0421 -2.0421 -1.9487 -1.9487 -1.8231 -1.8231 -1.8166 -1.8166 -1.7261 -1.7261 -1.7190 -1.7190 -1.6154 -1.6154 -0.9131 -0.9131 -0.8692 -0.8692 k = 0.0741 0.0428-0.0000 ( 13815 PWs) bands (ev): -18.3962 -18.3962 -16.6182 -16.6182 -16.5905 -16.5905 -15.0445 -15.0445 -14.3817 -14.3817 -14.1607 -14.1607 -13.4103 -13.4103 -13.3247 -13.3247 -11.3927 -11.3927 -11.2117 -11.2117 -10.7836 -10.7836 -8.4507 -8.4507 -8.4413 -8.4413 -7.2001 -7.2001 -5.8723 -5.8723 -5.3416 -5.3416 -5.1508 -5.1508 -3.3956 -3.3956 -3.3887 -3.3887 -2.7632 -2.7632 -2.6219 -2.6219 -2.5691 -2.5691 -2.4707 -2.4707 -2.1666 -2.1666 -2.0524 -2.0524 -2.0418 -2.0418 -1.9495 -1.9495 -1.8269 -1.8269 -1.8172 -1.8172 -1.7272 -1.7272 -1.7186 -1.7186 -1.6217 -1.6217 -0.9171 -0.9171 -0.8722 -0.8722 k = 0.0926 0.0535-0.0000 ( 13823 PWs) bands (ev): -18.3958 -18.3958 -16.6183 -16.6183 -16.5906 -16.5906 -15.0443 -15.0443 -14.3822 -14.3822 -14.1619 -14.1619 -13.4097 -13.4097 -13.3253 -13.3253 -11.3923 -11.3923 -11.2116 -11.2116 -10.7832 -10.7832 -8.4554 -8.4554 -8.4412 -8.4412 -7.1933 -7.1933 -5.8658 -5.8658 -5.3388 -5.3388 -5.1494 -5.1494 -3.3979 -3.3979 -3.3881 -3.3881 -2.7772 -2.7772 -2.6208 -2.6208 -2.5673 -2.5673 -2.4630 -2.4630 -2.1629 -2.1629 -2.0530 -2.0530 -2.0412 -2.0412 -1.9507 -1.9507 -1.8317 -1.8317 -1.8181 -1.8181 -1.7288 -1.7288 -1.7178 -1.7178 -1.6293 -1.6293 -0.9225 -0.9225 -0.8760 -0.8760 k = 0.1111 0.0642-0.0000 ( 13823 PWs) bands (ev): -18.3953 -18.3953 -16.6185 -16.6185 -16.5907 -16.5907 -15.0440 -15.0440 -14.3829 -14.3829 -14.1633 -14.1633 -13.4090 -13.4090 -13.3260 -13.3260 -11.3917 -11.3917 -11.2113 -11.2113 -10.7828 -10.7828 -8.4610 -8.4610 -8.4410 -8.4410 -7.1852 -7.1852 -5.8581 -5.8581 -5.3355 -5.3355 -5.1477 -5.1477 -3.4009 -3.4009 -3.3872 -3.3872 -2.7927 -2.7927 -2.6199 -2.6199 -2.5649 -2.5649 -2.4547 -2.4547 -2.1586 -2.1586 -2.0540 -2.0540 -2.0401 -2.0401 -1.9522 -1.9522 -1.8375 -1.8375 -1.8192 -1.8192 -1.7308 -1.7308 -1.7168 -1.7168 -1.6381 -1.6381 -0.9295 -0.9295 -0.8807 -0.8807 k = 0.1296 0.0748-0.0000 ( 13813 PWs) bands (ev): -18.3948 -18.3948 -16.6186 -16.6186 -16.5909 -16.5909 -15.0436 -15.0436 -14.3837 -14.3837 -14.1648 -14.1648 -13.4082 -13.4082 -13.3269 -13.3269 -11.3911 -11.3911 -11.2111 -11.2111 -10.7823 -10.7823 -8.4675 -8.4675 -8.4408 -8.4408 -7.1757 -7.1757 -5.8495 -5.8495 -5.3316 -5.3316 -5.1457 -5.1457 -3.4043 -3.4043 -3.3861 -3.3861 -2.8092 -2.8092 -2.6193 -2.6193 -2.5621 -2.5621 -2.4461 -2.4461 -2.1538 -2.1538 -2.0553 -2.0553 -2.0385 -2.0385 -1.9542 -1.9542 -1.8441 -1.8441 -1.8205 -1.8205 -1.7332 -1.7332 -1.7156 -1.7156 -1.6476 -1.6476 -0.9381 -0.9381 -0.8866 -0.8866 k = 0.1481 0.0855-0.0000 ( 13809 PWs) bands (ev): -18.3942 -18.3942 -16.6188 -16.6188 -16.5910 -16.5910 -15.0432 -15.0432 -14.3845 -14.3845 -14.1666 -14.1666 -13.4072 -13.4072 -13.3278 -13.3278 -11.3904 -11.3904 -11.2108 -11.2108 -10.7817 -10.7817 -8.4746 -8.4746 -8.4405 -8.4405 -7.1651 -7.1651 -5.8401 -5.8401 -5.3272 -5.3272 -5.1433 -5.1433 -3.4081 -3.4081 -3.3849 -3.3849 -2.8266 -2.8266 -2.6191 -2.6191 -2.5590 -2.5590 -2.4373 -2.4373 -2.1487 -2.1487 -2.0569 -2.0569 -2.0365 -2.0365 -1.9567 -1.9567 -1.8514 -1.8514 -1.8220 -1.8220 -1.7360 -1.7360 -1.7144 -1.7144 -1.6576 -1.6576 -0.9481 -0.9481 -0.8942 -0.8942 k = 0.1667 0.0962-0.0000 ( 13803 PWs) bands (ev): -18.3936 -18.3936 -16.6190 -16.6190 -16.5912 -16.5912 -15.0428 -15.0428 -14.3855 -14.3855 -14.1684 -14.1684 -13.4062 -13.4062 -13.3289 -13.3289 -11.3896 -11.3896 -11.2105 -11.2105 -10.7811 -10.7811 -8.4824 -8.4824 -8.4402 -8.4402 -7.1534 -7.1534 -5.8301 -5.8301 -5.3224 -5.3224 -5.1405 -5.1405 -3.4122 -3.4122 -3.3834 -3.3834 -2.8443 -2.8443 -2.6191 -2.6191 -2.5557 -2.5557 -2.4286 -2.4286 -2.1434 -2.1434 -2.0588 -2.0588 -2.0342 -2.0342 -1.9599 -1.9599 -1.8590 -1.8590 -1.8237 -1.8237 -1.7391 -1.7391 -1.7132 -1.7132 -1.6676 -1.6676 -0.9595 -0.9595 -0.9036 -0.9036 k = 0.1852 0.1069-0.0000 ( 13805 PWs) bands (ev): -18.3929 -18.3929 -16.6193 -16.6193 -16.5914 -16.5914 -15.0424 -15.0424 -14.3865 -14.3865 -14.1704 -14.1704 -13.4050 -13.4050 -13.3301 -13.3301 -11.3888 -11.3888 -11.2102 -11.2102 -10.7804 -10.7804 -8.4907 -8.4907 -8.4398 -8.4398 -7.1408 -7.1408 -5.8197 -5.8197 -5.3172 -5.3172 -5.1373 -5.1373 -3.4166 -3.4166 -3.3819 -3.3819 -2.8623 -2.8623 -2.6194 -2.6194 -2.5523 -2.5523 -2.4200 -2.4200 -2.1384 -2.1384 -2.0609 -2.0609 -2.0315 -2.0315 -1.9638 -1.9638 -1.8666 -1.8666 -1.8255 -1.8255 -1.7425 -1.7425 -1.7124 -1.7124 -1.6771 -1.6771 -0.9720 -0.9720 -0.9150 -0.9150 k = 0.2037 0.1176-0.0000 ( 13819 PWs) bands (ev): -18.3921 -18.3921 -16.6195 -16.6195 -16.5915 -16.5915 -15.0419 -15.0419 -14.3875 -14.3875 -14.1725 -14.1725 -13.4038 -13.4038 -13.3313 -13.3313 -11.3880 -11.3880 -11.2099 -11.2099 -10.7797 -10.7797 -8.4993 -8.4993 -8.4394 -8.4394 -7.1273 -7.1273 -5.8091 -5.8091 -5.3116 -5.3116 -5.1338 -5.1338 -3.4211 -3.4211 -3.3802 -3.3802 -2.8802 -2.8802 -2.6199 -2.6199 -2.5490 -2.5490 -2.4116 -2.4116 -2.1339 -2.1339 -2.0632 -2.0632 -2.0286 -2.0286 -1.9682 -1.9682 -1.8737 -1.8737 -1.8275 -1.8275 -1.7461 -1.7461 -1.7127 -1.7127 -1.6853 -1.6853 -0.9855 -0.9855 -0.9278 -0.9278 k = 0.2222 0.1283-0.0000 ( 13825 PWs) bands (ev): -18.3914 -18.3914 -16.6198 -16.6198 -16.5917 -16.5917 -15.0415 -15.0415 -14.3886 -14.3886 -14.1746 -14.1746 -13.4024 -13.4024 -13.3327 -13.3327 -11.3871 -11.3871 -11.2095 -11.2095 -10.7790 -10.7790 -8.5082 -8.5082 -8.4390 -8.4390 -7.1133 -7.1133 -5.7985 -5.7985 -5.3058 -5.3058 -5.1300 -5.1300 -3.4258 -3.4258 -3.3784 -3.3784 -2.8979 -2.8979 -2.6208 -2.6208 -2.5459 -2.5459 -2.4033 -2.4033 -2.1303 -2.1303 -2.0657 -2.0657 -2.0257 -2.0257 -1.9727 -1.9727 -1.8801 -1.8801 -1.8296 -1.8296 -1.7500 -1.7500 -1.7153 -1.7153 -1.6910 -1.6910 -0.9997 -0.9997 -0.9418 -0.9418 k = 0.2407 0.1390-0.0000 ( 13815 PWs) bands (ev): -18.3906 -18.3906 -16.6201 -16.6201 -16.5919 -16.5919 -15.0410 -15.0410 -14.3898 -14.3898 -14.1768 -14.1768 -13.4010 -13.4010 -13.3342 -13.3342 -11.3862 -11.3862 -11.2092 -11.2092 -10.7783 -10.7783 -8.5172 -8.5172 -8.4386 -8.4386 -7.0987 -7.0987 -5.7882 -5.7882 -5.2997 -5.2997 -5.1258 -5.1258 -3.4305 -3.4305 -3.3765 -3.3765 -2.9152 -2.9152 -2.6218 -2.6218 -2.5429 -2.5429 -2.3951 -2.3951 -2.1282 -2.1282 -2.0684 -2.0684 -2.0229 -2.0229 -1.9766 -1.9766 -1.8855 -1.8855 -1.8318 -1.8318 -1.7540 -1.7540 -1.7210 -1.7210 -1.6933 -1.6933 -1.0143 -1.0143 -0.9566 -0.9566 k = 0.2593 0.1497-0.0000 ( 13811 PWs) bands (ev): -18.3899 -18.3899 -16.6204 -16.6204 -16.5920 -16.5920 -15.0406 -15.0406 -14.3909 -14.3909 -14.1789 -14.1789 -13.3995 -13.3995 -13.3357 -13.3357 -11.3853 -11.3853 -11.2088 -11.2088 -10.7775 -10.7775 -8.5262 -8.5262 -8.4382 -8.4382 -7.0839 -7.0839 -5.7783 -5.7783 -5.2935 -5.2935 -5.1213 -5.1213 -3.4352 -3.4352 -3.3746 -3.3746 -2.9319 -2.9319 -2.6232 -2.6232 -2.5403 -2.5403 -2.3870 -2.3870 -2.1281 -2.1281 -2.0714 -2.0714 -2.0206 -2.0206 -1.9790 -1.9790 -1.8898 -1.8898 -1.8341 -1.8341 -1.7582 -1.7582 -1.7288 -1.7288 -1.6932 -1.6932 -1.0293 -1.0293 -0.9718 -0.9718 k = 0.2778 0.1604-0.0000 ( 13801 PWs) bands (ev): -18.3891 -18.3891 -16.6207 -16.6207 -16.5922 -16.5922 -15.0401 -15.0401 -14.3921 -14.3921 -14.1810 -14.1810 -13.3979 -13.3979 -13.3373 -13.3373 -11.3844 -11.3844 -11.2085 -11.2085 -10.7768 -10.7768 -8.5350 -8.5350 -8.4378 -8.4378 -7.0690 -7.0690 -5.7688 -5.7688 -5.2873 -5.2873 -5.1166 -5.1166 -3.4398 -3.4398 -3.3727 -3.3727 -2.9479 -2.9479 -2.6248 -2.6248 -2.5379 -2.5379 -2.3789 -2.3789 -2.1305 -2.1305 -2.0746 -2.0746 -2.0189 -2.0189 -1.9790 -1.9790 -1.8930 -1.8930 -1.8365 -1.8365 -1.7626 -1.7626 -1.7374 -1.7374 -1.6921 -1.6921 -1.0443 -1.0443 -0.9871 -0.9871 k = 0.2963 0.1711-0.0000 ( 13791 PWs) bands (ev): -18.3883 -18.3883 -16.6210 -16.6210 -16.5923 -16.5923 -15.0397 -15.0397 -14.3932 -14.3932 -14.1830 -14.1830 -13.3963 -13.3963 -13.3389 -13.3389 -11.3836 -11.3836 -11.2081 -11.2081 -10.7761 -10.7761 -8.5436 -8.5436 -8.4374 -8.4374 -7.0542 -7.0542 -5.7601 -5.7601 -5.2810 -5.2810 -5.1118 -5.1118 -3.4443 -3.4443 -3.3708 -3.3708 -2.9630 -2.9630 -2.6266 -2.6266 -2.5359 -2.5359 -2.3709 -2.3709 -2.1356 -2.1356 -2.0776 -2.0776 -2.0174 -2.0174 -1.9766 -1.9766 -1.8953 -1.8953 -1.8389 -1.8389 -1.7671 -1.7671 -1.7461 -1.7461 -1.6904 -1.6904 -1.0592 -1.0592 -1.0023 -1.0023 k = 0.3148 0.1818-0.0000 ( 13794 PWs) bands (ev): -18.3876 -18.3876 -16.6213 -16.6213 -16.5925 -16.5925 -15.0393 -15.0393 -14.3944 -14.3944 -14.1850 -14.1850 -13.3946 -13.3946 -13.3406 -13.3406 -11.3828 -11.3828 -11.2078 -11.2078 -10.7754 -10.7754 -8.5518 -8.5518 -8.4369 -8.4369 -7.0398 -7.0398 -5.7520 -5.7520 -5.2749 -5.2749 -5.1068 -5.1068 -3.4485 -3.4485 -3.3689 -3.3689 -2.9772 -2.9772 -2.6287 -2.6287 -2.5342 -2.5342 -2.3629 -2.3629 -2.1432 -2.1432 -2.0805 -2.0805 -2.0160 -2.0160 -1.9721 -1.9721 -1.8968 -1.8968 -1.8414 -1.8414 -1.7719 -1.7719 -1.7546 -1.7546 -1.6887 -1.6887 -1.0736 -1.0736 -1.0171 -1.0171 k = 0.3333 0.1925-0.0000 ( 13808 PWs) bands (ev): -18.3869 -18.3869 -16.6216 -16.6216 -16.5926 -16.5926 -15.0390 -15.0390 -14.3954 -14.3954 -14.1868 -14.1868 -13.3929 -13.3929 -13.3423 -13.3423 -11.3820 -11.3820 -11.2075 -11.2075 -10.7747 -10.7747 -8.5596 -8.5596 -8.4365 -8.4365 -7.0259 -7.0259 -5.7448 -5.7448 -5.2689 -5.2689 -5.1019 -5.1019 -3.4526 -3.4526 -3.3671 -3.3671 -2.9904 -2.9904 -2.6310 -2.6310 -2.5328 -2.5328 -2.3548 -2.3548 -2.1530 -2.1530 -2.0830 -2.0830 -2.0142 -2.0142 -1.9663 -1.9663 -1.8975 -1.8975 -1.8438 -1.8438 -1.7771 -1.7771 -1.7626 -1.7626 -1.6869 -1.6869 -1.0875 -1.0875 -1.0313 -1.0313 k = 0.3519 0.2031-0.0000 ( 13788 PWs) bands (ev): -18.3863 -18.3863 -16.6218 -16.6218 -16.5927 -16.5927 -15.0386 -15.0386 -14.3964 -14.3964 -14.1885 -14.1885 -13.3912 -13.3912 -13.3440 -13.3440 -11.3813 -11.3813 -11.2072 -11.2072 -10.7741 -10.7741 -8.5669 -8.5669 -8.4362 -8.4362 -7.0128 -7.0128 -5.7385 -5.7385 -5.2633 -5.2633 -5.0971 -5.0971 -3.4563 -3.4563 -3.3653 -3.3653 -3.0024 -3.0024 -2.6335 -2.6335 -2.5318 -2.5318 -2.3468 -2.3468 -2.1642 -2.1642 -2.0851 -2.0851 -2.0120 -2.0120 -1.9596 -1.9596 -1.8977 -1.8977 -1.8462 -1.8462 -1.7829 -1.7829 -1.7698 -1.7698 -1.6851 -1.6851 -1.1005 -1.1005 -1.0447 -1.0447 k = 0.3704 0.2138-0.0000 ( 13780 PWs) bands (ev): -18.3857 -18.3857 -16.6221 -16.6221 -16.5928 -16.5928 -15.0383 -15.0383 -14.3973 -14.3973 -14.1901 -14.1901 -13.3895 -13.3895 -13.3457 -13.3457 -11.3806 -11.3806 -11.2069 -11.2069 -10.7736 -10.7736 -8.5735 -8.5735 -8.4358 -8.4358 -7.0006 -7.0006 -5.7330 -5.7330 -5.2580 -5.2580 -5.0925 -5.0925 -3.4597 -3.4597 -3.3637 -3.3637 -3.0132 -3.0132 -2.6360 -2.6360 -2.5310 -2.5310 -2.3387 -2.3387 -2.1761 -2.1761 -2.0869 -2.0869 -2.0096 -2.0096 -1.9526 -1.9526 -1.8972 -1.8972 -1.8486 -1.8486 -1.7895 -1.7895 -1.7757 -1.7757 -1.6835 -1.6835 -1.1126 -1.1126 -1.0570 -1.0570 k = 0.3889 0.2245-0.0000 ( 13780 PWs) bands (ev): -18.3851 -18.3851 -16.6223 -16.6223 -16.5929 -16.5929 -15.0380 -15.0380 -14.3982 -14.3982 -14.1914 -14.1914 -13.3879 -13.3879 -13.3473 -13.3473 -11.3800 -11.3800 -11.2067 -11.2067 -10.7731 -10.7731 -8.5793 -8.5793 -8.4355 -8.4355 -6.9896 -6.9896 -5.7283 -5.7283 -5.2532 -5.2532 -5.0882 -5.0882 -3.4628 -3.4628 -3.3623 -3.3623 -3.0227 -3.0227 -2.6384 -2.6384 -2.5304 -2.5304 -2.3307 -2.3307 -2.1881 -2.1881 -2.0884 -2.0884 -2.0071 -2.0071 -1.9456 -1.9456 -1.8960 -1.8960 -1.8510 -1.8510 -1.7968 -1.7968 -1.7805 -1.7805 -1.6820 -1.6820 -1.1234 -1.1234 -1.0680 -1.0680 k = 0.4074 0.2352-0.0000 ( 13768 PWs) bands (ev): -18.3847 -18.3847 -16.6225 -16.6225 -16.5929 -16.5929 -15.0378 -15.0378 -14.3989 -14.3989 -14.1926 -14.1926 -13.3864 -13.3864 -13.3489 -13.3489 -11.3795 -11.3795 -11.2064 -11.2064 -10.7726 -10.7726 -8.5844 -8.5844 -8.4352 -8.4352 -6.9799 -6.9799 -5.7244 -5.7244 -5.2490 -5.2490 -5.0844 -5.0844 -3.4654 -3.4654 -3.3610 -3.3610 -3.0308 -3.0308 -2.6407 -2.6407 -2.5301 -2.5301 -2.3228 -2.3228 -2.1998 -2.1998 -2.0897 -2.0897 -2.0047 -2.0047 -1.9390 -1.9390 -1.8941 -1.8941 -1.8532 -1.8532 -1.8043 -1.8043 -1.7843 -1.7843 -1.6808 -1.6808 -1.1329 -1.1329 -1.0777 -1.0777 k = 0.4259 0.2459-0.0000 ( 13772 PWs) bands (ev): -18.3843 -18.3843 -16.6227 -16.6227 -16.5930 -16.5930 -15.0376 -15.0376 -14.3995 -14.3995 -14.1936 -14.1936 -13.3851 -13.3851 -13.3502 -13.3502 -11.3791 -11.3791 -11.2063 -11.2063 -10.7723 -10.7723 -8.5887 -8.5887 -8.4350 -8.4350 -6.9717 -6.9717 -5.7214 -5.7214 -5.2455 -5.2455 -5.0811 -5.0811 -3.4676 -3.4676 -3.3599 -3.3599 -3.0375 -3.0375 -2.6428 -2.6428 -2.5298 -2.5298 -2.3151 -2.3151 -2.2109 -2.2109 -2.0908 -2.0908 -2.0026 -2.0026 -1.9333 -1.9333 -1.8914 -1.8914 -1.8555 -1.8555 -1.8116 -1.8116 -1.7874 -1.7874 -1.6797 -1.6797 -1.1408 -1.1408 -1.0858 -1.0858 k = 0.4444 0.2566-0.0000 ( 13768 PWs) bands (ev): -18.3840 -18.3840 -16.6228 -16.6228 -16.5930 -16.5930 -15.0375 -15.0375 -14.4000 -14.4000 -14.1944 -14.1944 -13.3839 -13.3839 -13.3514 -13.3514 -11.3788 -11.3788 -11.2061 -11.2061 -10.7720 -10.7720 -8.5920 -8.5920 -8.4348 -8.4348 -6.9652 -6.9652 -5.7190 -5.7190 -5.2426 -5.2426 -5.0784 -5.0784 -3.4693 -3.4693 -3.3591 -3.3591 -3.0427 -3.0427 -2.6445 -2.6445 -2.5297 -2.5297 -2.3079 -2.3079 -2.2208 -2.2208 -2.0916 -2.0916 -2.0008 -2.0008 -1.9288 -1.9288 -1.8879 -1.8879 -1.8578 -1.8578 -1.8182 -1.8182 -1.7898 -1.7898 -1.6788 -1.6788 -1.1471 -1.1471 -1.0922 -1.0922 k = 0.4630 0.2673-0.0000 ( 13782 PWs) bands (ev): -18.3838 -18.3838 -16.6229 -16.6229 -16.5931 -16.5931 -15.0374 -15.0374 -14.4003 -14.4003 -14.1949 -14.1949 -13.3830 -13.3830 -13.3523 -13.3523 -11.3785 -11.3785 -11.2060 -11.2060 -10.7718 -10.7718 -8.5944 -8.5944 -8.4347 -8.4347 -6.9605 -6.9605 -5.7174 -5.7174 -5.2406 -5.2406 -5.0765 -5.0765 -3.4705 -3.4705 -3.3585 -3.3585 -3.0465 -3.0465 -2.6458 -2.6458 -2.5296 -2.5296 -2.3016 -2.3016 -2.2291 -2.2291 -2.0922 -2.0922 -1.9994 -1.9994 -1.9256 -1.9256 -1.8839 -1.8839 -1.8601 -1.8601 -1.8236 -1.8236 -1.7915 -1.7915 -1.6782 -1.6782 -1.1517 -1.1517 -1.0969 -1.0969 k = 0.4815 0.2780-0.0000 ( 13774 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4005 -14.4005 -14.1953 -14.1953 -13.3824 -13.3824 -13.3529 -13.3529 -11.3784 -11.3784 -11.2060 -11.2060 -10.7717 -10.7717 -8.5959 -8.5959 -8.4346 -8.4346 -6.9576 -6.9576 -5.7164 -5.7164 -5.2393 -5.2393 -5.0753 -5.0753 -3.4713 -3.4713 -3.3581 -3.3581 -3.0488 -3.0488 -2.6467 -2.6467 -2.5296 -2.5296 -2.2971 -2.2971 -2.2349 -2.2349 -2.0926 -2.0926 -1.9986 -1.9986 -1.9238 -1.9238 -1.8804 -1.8804 -1.8623 -1.8623 -1.8273 -1.8273 -1.7926 -1.7926 -1.6778 -1.6778 -1.1545 -1.1545 -1.0997 -1.0997 k = 0.5000 0.2887-0.0000 ( 13774 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9567 -6.9567 -5.7161 -5.7161 -5.2389 -5.2389 -5.0749 -5.0749 -3.4715 -3.4715 -3.3579 -3.3579 -3.0495 -3.0495 -2.6469 -2.6469 -2.5296 -2.5296 -2.2954 -2.2954 -2.2370 -2.2370 -2.0927 -2.0927 -1.9983 -1.9983 -1.9232 -1.9232 -1.8788 -1.8788 -1.8633 -1.8633 -1.8285 -1.8285 -1.7929 -1.7929 -1.6777 -1.6777 -1.1555 -1.1555 -1.1006 -1.1006 k = 0.5000 0.2887-0.0000 ( 13774 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9567 -6.9567 -5.7161 -5.7161 -5.2389 -5.2389 -5.0749 -5.0749 -3.4715 -3.4715 -3.3579 -3.3579 -3.0495 -3.0495 -2.6469 -2.6469 -2.5296 -2.5296 -2.2954 -2.2954 -2.2370 -2.2370 -2.0927 -2.0927 -1.9983 -1.9983 -1.9232 -1.9232 -1.8788 -1.8788 -1.8633 -1.8633 -1.8285 -1.8285 -1.7929 -1.7929 -1.6777 -1.6777 -1.1555 -1.1555 -1.1006 -1.1006 k = 0.4896 0.3067-0.0000 ( 13772 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1955 -14.1955 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5960 -8.5960 -8.4351 -8.4351 -6.9565 -6.9565 -5.7156 -5.7156 -5.2387 -5.2387 -5.0751 -5.0751 -3.4713 -3.4713 -3.3583 -3.3583 -3.0496 -3.0496 -2.6473 -2.6473 -2.5290 -2.5290 -2.2960 -2.2960 -2.2364 -2.2364 -2.0930 -2.0930 -1.9977 -1.9977 -1.9232 -1.9232 -1.8808 -1.8808 -1.8624 -1.8624 -1.8282 -1.8282 -1.7935 -1.7935 -1.6775 -1.6775 -1.1550 -1.1550 -1.1005 -1.1005 k = 0.4792 0.3248-0.0000 ( 13764 PWs) bands (ev): -18.3835 -18.3835 -16.6229 -16.6229 -16.5932 -16.5932 -15.0372 -15.0372 -14.4006 -14.4006 -14.1957 -14.1957 -13.3820 -13.3820 -13.3533 -13.3533 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5950 -8.5950 -8.4367 -8.4367 -6.9558 -6.9558 -5.7144 -5.7144 -5.2379 -5.2379 -5.0758 -5.0758 -3.4706 -3.4706 -3.3592 -3.3592 -3.0498 -3.0498 -2.6484 -2.6484 -2.5274 -2.5274 -2.2977 -2.2977 -2.2347 -2.2347 -2.0937 -2.0937 -1.9960 -1.9960 -1.9233 -1.9233 -1.8858 -1.8858 -1.8608 -1.8608 -1.8271 -1.8271 -1.7952 -1.7952 -1.6767 -1.6767 -1.1537 -1.1537 -1.1000 -1.1000 k = 0.4688 0.3428-0.0000 ( 13750 PWs) bands (ev): -18.3835 -18.3835 -16.6229 -16.6229 -16.5932 -16.5932 -15.0372 -15.0372 -14.4005 -14.4005 -14.1960 -14.1960 -13.3817 -13.3817 -13.3536 -13.3536 -11.3782 -11.3782 -11.2059 -11.2059 -10.7715 -10.7715 -8.5932 -8.5932 -8.4393 -8.4393 -6.9547 -6.9547 -5.7123 -5.7123 -5.2367 -5.2367 -5.0770 -5.0770 -3.4694 -3.4694 -3.3607 -3.3607 -3.0501 -3.0501 -2.6501 -2.6501 -2.5248 -2.5248 -2.3003 -2.3003 -2.2322 -2.2322 -2.0947 -2.0947 -1.9933 -1.9933 -1.9238 -1.9238 -1.8922 -1.8922 -1.8595 -1.8595 -1.8255 -1.8255 -1.7980 -1.7980 -1.6754 -1.6754 -1.1516 -1.1516 -1.0992 -1.0992 k = 0.4583 0.3608-0.0000 ( 13758 PWs) bands (ev): -18.3834 -18.3834 -16.6229 -16.6229 -16.5933 -16.5933 -15.0371 -15.0371 -14.4005 -14.4005 -14.1965 -14.1965 -13.3812 -13.3812 -13.3541 -13.3541 -11.3780 -11.3780 -11.2058 -11.2058 -10.7714 -10.7714 -8.5908 -8.5908 -8.4429 -8.4429 -6.9532 -6.9532 -5.7095 -5.7095 -5.2351 -5.2351 -5.0786 -5.0786 -3.4677 -3.4677 -3.3628 -3.3628 -3.0505 -3.0505 -2.6524 -2.6524 -2.5214 -2.5214 -2.3036 -2.3036 -2.2291 -2.2291 -2.0962 -2.0962 -1.9898 -1.9898 -1.9248 -1.9248 -1.8989 -1.8989 -1.8589 -1.8589 -1.8236 -1.8236 -1.8018 -1.8018 -1.6739 -1.6739 -1.1487 -1.1487 -1.0981 -1.0981 k = 0.4479 0.3789-0.0000 ( 13758 PWs) bands (ev): -18.3832 -18.3832 -16.6228 -16.6228 -16.5935 -16.5935 -15.0370 -15.0370 -14.4004 -14.4004 -14.1971 -14.1971 -13.3807 -13.3807 -13.3546 -13.3546 -11.3779 -11.3779 -11.2058 -11.2058 -10.7713 -10.7713 -8.5878 -8.5878 -8.4475 -8.4475 -6.9514 -6.9514 -5.7061 -5.7061 -5.2330 -5.2330 -5.0806 -5.0806 -3.4655 -3.4655 -3.3655 -3.3655 -3.0510 -3.0510 -2.6550 -2.6550 -2.5173 -2.5173 -2.3073 -2.3073 -2.2256 -2.2256 -2.0977 -2.0977 -1.9857 -1.9857 -1.9270 -1.9270 -1.9047 -1.9047 -1.8589 -1.8589 -1.8217 -1.8217 -1.8064 -1.8064 -1.6720 -1.6720 -1.1451 -1.1451 -1.0966 -1.0966 k = 0.4375 0.3969-0.0000 ( 13766 PWs) bands (ev): -18.3831 -18.3831 -16.6228 -16.6228 -16.5936 -16.5936 -15.0369 -15.0369 -14.4004 -14.4004 -14.1977 -14.1977 -13.3800 -13.3800 -13.3553 -13.3553 -11.3777 -11.3777 -11.2057 -11.2057 -10.7712 -10.7712 -8.5841 -8.5841 -8.4528 -8.4528 -6.9492 -6.9492 -5.7023 -5.7023 -5.2304 -5.2304 -5.0830 -5.0830 -3.4630 -3.4630 -3.3687 -3.3687 -3.0517 -3.0517 -2.6578 -2.6578 -2.5128 -2.5128 -2.3113 -2.3113 -2.2220 -2.2220 -2.0992 -2.0992 -1.9814 -1.9814 -1.9310 -1.9310 -1.9086 -1.9086 -1.8595 -1.8595 -1.8199 -1.8199 -1.8117 -1.8117 -1.6701 -1.6701 -1.1408 -1.1408 -1.0946 -1.0946 k = 0.4271 0.4150-0.0000 ( 13762 PWs) bands (ev): -18.3830 -18.3830 -16.6227 -16.6227 -16.5938 -16.5938 -15.0368 -15.0368 -14.4003 -14.4003 -14.1985 -14.1985 -13.3792 -13.3792 -13.3561 -13.3561 -11.3775 -11.3775 -11.2057 -11.2057 -10.7710 -10.7710 -8.5799 -8.5799 -8.4589 -8.4589 -6.9468 -6.9468 -5.6981 -5.6981 -5.2274 -5.2274 -5.0857 -5.0857 -3.4600 -3.4600 -3.3723 -3.3723 -3.0524 -3.0524 -2.6608 -2.6608 -2.5081 -2.5081 -2.3153 -2.3153 -2.2184 -2.2184 -2.1006 -2.1006 -1.9778 -1.9778 -1.9360 -1.9360 -1.9103 -1.9103 -1.8605 -1.8605 -1.8195 -1.8195 -1.8164 -1.8164 -1.6680 -1.6680 -1.1360 -1.1360 -1.0922 -1.0922 k = 0.4167 0.4330-0.0000 ( 13786 PWs) bands (ev): -18.3828 -18.3828 -16.6227 -16.6227 -16.5939 -16.5939 -15.0367 -15.0367 -14.4003 -14.4003 -14.1992 -14.1992 -13.3783 -13.3783 -13.3570 -13.3570 -11.3772 -11.3772 -11.2056 -11.2056 -10.7709 -10.7709 -8.5752 -8.5752 -8.4655 -8.4655 -6.9442 -6.9442 -5.6939 -5.6939 -5.2240 -5.2240 -5.0887 -5.0887 -3.4566 -3.4566 -3.3764 -3.3764 -3.0532 -3.0532 -2.6637 -2.6637 -2.5033 -2.5033 -2.3193 -2.3193 -2.2151 -2.2151 -2.1019 -2.1019 -1.9760 -1.9760 -1.9398 -1.9398 -1.9108 -1.9108 -1.8618 -1.8618 -1.8248 -1.8248 -1.8161 -1.8161 -1.6660 -1.6660 -1.1309 -1.1309 -1.0892 -1.0892 k = 0.4062 0.4511-0.0000 ( 13782 PWs) bands (ev): -18.3826 -18.3826 -16.6226 -16.6226 -16.5941 -16.5941 -15.0366 -15.0366 -14.4002 -14.4002 -14.2000 -14.2000 -13.3773 -13.3773 -13.3580 -13.3580 -11.3770 -11.3770 -11.2055 -11.2055 -10.7707 -10.7707 -8.5700 -8.5700 -8.4727 -8.4727 -6.9415 -6.9415 -5.6897 -5.6897 -5.2204 -5.2204 -5.0918 -5.0918 -3.4529 -3.4529 -3.3809 -3.3809 -3.0540 -3.0540 -2.6666 -2.6666 -2.4986 -2.4986 -2.3231 -2.3231 -2.2122 -2.2122 -2.1028 -2.1028 -1.9774 -1.9774 -1.9403 -1.9403 -1.9104 -1.9104 -1.8634 -1.8634 -1.8316 -1.8316 -1.8151 -1.8151 -1.6641 -1.6641 -1.1255 -1.1255 -1.0856 -1.0856 k = 0.3958 0.4691-0.0000 ( 13802 PWs) bands (ev): -18.3825 -18.3825 -16.6226 -16.6226 -16.5942 -16.5942 -15.0365 -15.0365 -14.4002 -14.4002 -14.2007 -14.2007 -13.3762 -13.3762 -13.3591 -13.3591 -11.3768 -11.3768 -11.2054 -11.2054 -10.7706 -10.7706 -8.5644 -8.5644 -8.4802 -8.4802 -6.9389 -6.9389 -5.6857 -5.6857 -5.2166 -5.2166 -5.0949 -5.0949 -3.4488 -3.4488 -3.3856 -3.3856 -3.0549 -3.0549 -2.6692 -2.6692 -2.4942 -2.4942 -2.3266 -2.3266 -2.2097 -2.2097 -2.1034 -2.1034 -1.9818 -1.9818 -1.9371 -1.9371 -1.9098 -1.9098 -1.8652 -1.8652 -1.8386 -1.8386 -1.8142 -1.8142 -1.6624 -1.6624 -1.1200 -1.1200 -1.0812 -1.0812 k = 0.3854 0.4871-0.0000 ( 13798 PWs) bands (ev): -18.3823 -18.3823 -16.6226 -16.6226 -16.5944 -16.5944 -15.0364 -15.0364 -14.4002 -14.4002 -14.2014 -14.2014 -13.3750 -13.3750 -13.3603 -13.3603 -11.3766 -11.3766 -11.2054 -11.2054 -10.7705 -10.7705 -8.5585 -8.5585 -8.4879 -8.4879 -6.9363 -6.9363 -5.6820 -5.6820 -5.2127 -5.2127 -5.0980 -5.0980 -3.4445 -3.4445 -3.3905 -3.3905 -3.0558 -3.0558 -2.6716 -2.6716 -2.4902 -2.4902 -2.3297 -2.3297 -2.2078 -2.2078 -2.1037 -2.1037 -1.9874 -1.9874 -1.9317 -1.9317 -1.9088 -1.9088 -1.8672 -1.8672 -1.8458 -1.8458 -1.8136 -1.8136 -1.6608 -1.6608 -1.1146 -1.1146 -1.0760 -1.0760 k = 0.3750 0.5052-0.0000 ( 13806 PWs) bands (ev): -18.3822 -18.3822 -16.6225 -16.6225 -16.5945 -16.5945 -15.0363 -15.0363 -14.4002 -14.4002 -14.2021 -14.2021 -13.3737 -13.3737 -13.3616 -13.3616 -11.3764 -11.3764 -11.2053 -11.2053 -10.7703 -10.7703 -8.5523 -8.5523 -8.4957 -8.4957 -6.9339 -6.9339 -5.6788 -5.6788 -5.2091 -5.2091 -5.1009 -5.1009 -3.4401 -3.4401 -3.3955 -3.3955 -3.0566 -3.0566 -2.6737 -2.6737 -2.4868 -2.4868 -2.3323 -2.3323 -2.2065 -2.2065 -2.1038 -2.1038 -1.9929 -1.9929 -1.9252 -1.9252 -1.9078 -1.9078 -1.8695 -1.8695 -1.8527 -1.8527 -1.8132 -1.8132 -1.6595 -1.6595 -1.1095 -1.1095 -1.0701 -1.0701 k = 0.3646 0.5232-0.0000 ( 13820 PWs) bands (ev): -18.3821 -18.3821 -16.6225 -16.6225 -16.5946 -16.5946 -15.0362 -15.0362 -14.4002 -14.4002 -14.2026 -14.2026 -13.3723 -13.3723 -13.3630 -13.3630 -11.3763 -11.3763 -11.2053 -11.2053 -10.7702 -10.7702 -8.5460 -8.5460 -8.5034 -8.5034 -6.9319 -6.9319 -5.6763 -5.6763 -5.2058 -5.2058 -5.1033 -5.1033 -3.4356 -3.4356 -3.4005 -3.4005 -3.0574 -3.0574 -2.6754 -2.6754 -2.4841 -2.4841 -2.3343 -2.3343 -2.2057 -2.2057 -2.1036 -2.1036 -1.9977 -1.9977 -1.9184 -1.9184 -1.9066 -1.9066 -1.8725 -1.8725 -1.8589 -1.8589 -1.8130 -1.8130 -1.6585 -1.6585 -1.1049 -1.1049 -1.0635 -1.0635 k = 0.3542 0.5413-0.0000 ( 13822 PWs) bands (ev): -18.3820 -18.3820 -16.6225 -16.6225 -16.5946 -16.5946 -15.0362 -15.0362 -14.4002 -14.4002 -14.2030 -14.2030 -13.3708 -13.3708 -13.3645 -13.3645 -11.3762 -11.3762 -11.2052 -11.2052 -10.7702 -10.7702 -8.5395 -8.5395 -8.5109 -8.5109 -6.9303 -6.9303 -5.6744 -5.6744 -5.2032 -5.2032 -5.1052 -5.1052 -3.4313 -3.4313 -3.4052 -3.4052 -3.0580 -3.0580 -2.6767 -2.6767 -2.4821 -2.4821 -2.3356 -2.3356 -2.2054 -2.2054 -2.1035 -2.1035 -2.0011 -2.0011 -1.9122 -1.9122 -1.9048 -1.9048 -1.8767 -1.8767 -1.8633 -1.8633 -1.8130 -1.8130 -1.6577 -1.6577 -1.1009 -1.1009 -1.0565 -1.0565 k = 0.3438 0.5593-0.0000 ( 13814 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2032 -14.2032 -13.3693 -13.3693 -13.3661 -13.3661 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5333 -8.5333 -8.5178 -8.5178 -6.9292 -6.9292 -5.6732 -5.6732 -5.2015 -5.2015 -5.1064 -5.1064 -3.4277 -3.4277 -3.4090 -3.4090 -3.0585 -3.0585 -2.6774 -2.6774 -2.4810 -2.4810 -2.3364 -2.3364 -2.2053 -2.2053 -2.1033 -2.1033 -2.0032 -2.0032 -1.9089 -1.9089 -1.9009 -1.9009 -1.8818 -1.8818 -1.8657 -1.8657 -1.8130 -1.8130 -1.6573 -1.6573 -1.0979 -1.0979 -1.0499 -1.0499 k = 0.3333 0.5774-0.0000 ( 13818 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1069 -5.1069 -3.4261 -3.4261 -3.4106 -3.4106 -3.0586 -3.0586 -2.6777 -2.6777 -2.4806 -2.4806 -2.3366 -2.3366 -2.2054 -2.2054 -2.1033 -2.1033 -2.0039 -2.0039 -1.9082 -1.9082 -1.8980 -1.8980 -1.8849 -1.8849 -1.8664 -1.8664 -1.8130 -1.8130 -1.6571 -1.6571 -1.0967 -1.0967 -1.0468 -1.0468 k = 0.3333 0.5774-0.0000 ( 13818 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1069 -5.1069 -3.4261 -3.4261 -3.4106 -3.4106 -3.0586 -3.0586 -2.6777 -2.6777 -2.4806 -2.4806 -2.3366 -2.3366 -2.2054 -2.2054 -2.1033 -2.1033 -2.0039 -2.0039 -1.9082 -1.9082 -1.8980 -1.8980 -1.8849 -1.8849 -1.8664 -1.8664 -1.8130 -1.8130 -1.6571 -1.6571 -1.0967 -1.0967 -1.0468 -1.0468 k = 0.3226 0.5587-0.0000 ( 13804 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2032 -14.2032 -13.3694 -13.3694 -13.3659 -13.3659 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5332 -8.5332 -8.5179 -8.5179 -6.9293 -6.9293 -5.6733 -5.6733 -5.2015 -5.2015 -5.1064 -5.1064 -3.4277 -3.4277 -3.4089 -3.4089 -3.0584 -3.0584 -2.6774 -2.6774 -2.4810 -2.4810 -2.3364 -2.3364 -2.2052 -2.2052 -2.1033 -2.1033 -2.0032 -2.0032 -1.9088 -1.9088 -1.9013 -1.9013 -1.8815 -1.8815 -1.8657 -1.8657 -1.8130 -1.8130 -1.6573 -1.6573 -1.0983 -1.0983 -1.0486 -1.0486 k = 0.3118 0.5401-0.0000 ( 13830 PWs) bands (ev): -18.3820 -18.3820 -16.6225 -16.6225 -16.5946 -16.5946 -15.0362 -15.0362 -14.4002 -14.4002 -14.2029 -14.2029 -13.3712 -13.3712 -13.3641 -13.3641 -11.3762 -11.3762 -11.2052 -11.2052 -10.7702 -10.7702 -8.5388 -8.5388 -8.5115 -8.5115 -6.9307 -6.9307 -5.6745 -5.6745 -5.2035 -5.2035 -5.1053 -5.1053 -3.4310 -3.4310 -3.4053 -3.4053 -3.0577 -3.0577 -2.6765 -2.6765 -2.4820 -2.4820 -2.3360 -2.3360 -2.2047 -2.2047 -2.1034 -2.1034 -2.0016 -2.0016 -1.9116 -1.9116 -1.9063 -1.9063 -1.8760 -1.8760 -1.8631 -1.8631 -1.8127 -1.8127 -1.6578 -1.6578 -1.1031 -1.1031 -1.0493 -1.0493 k = 0.3011 0.5215-0.0000 ( 13820 PWs) bands (ev): -18.3821 -18.3821 -16.6225 -16.6225 -16.5946 -16.5946 -15.0363 -15.0363 -14.4001 -14.4001 -14.2024 -14.2024 -13.3731 -13.3731 -13.3623 -13.3623 -11.3763 -11.3763 -11.2053 -11.2053 -10.7703 -10.7703 -8.5439 -8.5439 -8.5050 -8.5050 -6.9331 -6.9331 -5.6765 -5.6765 -5.2066 -5.2066 -5.1038 -5.1038 -3.4348 -3.4348 -3.4012 -3.4012 -3.0564 -3.0564 -2.6751 -2.6751 -2.4836 -2.4836 -2.3357 -2.3357 -2.2034 -2.2034 -2.1035 -2.1035 -1.9992 -1.9992 -1.9178 -1.9178 -1.9088 -1.9088 -1.8713 -1.8713 -1.8584 -1.8584 -1.8121 -1.8121 -1.6586 -1.6586 -1.1097 -1.1097 -1.0470 -1.0470 k = 0.2903 0.5029-0.0000 ( 13818 PWs) bands (ev): -18.3823 -18.3823 -16.6225 -16.6225 -16.5945 -16.5945 -15.0364 -15.0364 -14.4000 -14.4000 -14.2018 -14.2018 -13.3749 -13.3749 -13.3604 -13.3604 -11.3766 -11.3766 -11.2054 -11.2054 -10.7705 -10.7705 -8.5482 -8.5482 -8.4986 -8.4986 -6.9367 -6.9367 -5.6793 -5.6793 -5.2106 -5.2106 -5.1020 -5.1020 -3.4384 -3.4384 -3.3969 -3.3969 -3.0545 -3.0545 -2.6731 -2.6731 -2.4857 -2.4857 -2.3356 -2.3356 -2.2012 -2.2012 -2.1035 -2.1035 -1.9966 -1.9966 -1.9251 -1.9251 -1.9104 -1.9104 -1.8679 -1.8679 -1.8519 -1.8519 -1.8109 -1.8109 -1.6597 -1.6597 -1.1167 -1.1167 -1.0426 -1.0426 k = 0.2796 0.4842-0.0000 ( 13798 PWs) bands (ev): -18.3826 -18.3826 -16.6224 -16.6224 -16.5943 -16.5943 -15.0365 -15.0365 -14.3998 -14.3998 -14.2009 -14.2009 -13.3769 -13.3769 -13.3585 -13.3585 -11.3769 -11.3769 -11.2055 -11.2055 -10.7707 -10.7707 -8.5517 -8.5517 -8.4924 -8.4924 -6.9416 -6.9416 -5.6829 -5.6829 -5.2155 -5.2155 -5.1004 -5.1004 -3.4415 -3.4415 -3.3929 -3.3929 -3.0516 -3.0516 -2.6705 -2.6705 -2.4882 -2.4882 -2.3360 -2.3360 -2.1978 -2.1978 -2.1034 -2.1034 -1.9942 -1.9942 -1.9326 -1.9326 -1.9117 -1.9117 -1.8648 -1.8648 -1.8447 -1.8447 -1.8091 -1.8091 -1.6611 -1.6611 -1.1228 -1.1228 -1.0366 -1.0366 k = 0.2688 0.4656-0.0000 ( 13792 PWs) bands (ev): -18.3829 -18.3829 -16.6224 -16.6224 -16.5942 -16.5942 -15.0367 -15.0367 -14.3995 -14.3995 -14.1999 -14.1999 -13.3788 -13.3788 -13.3565 -13.3565 -11.3772 -11.3772 -11.2056 -11.2056 -10.7710 -10.7710 -8.5542 -8.5542 -8.4865 -8.4865 -6.9477 -6.9477 -5.6872 -5.6872 -5.2209 -5.2209 -5.0990 -5.0990 -3.4442 -3.4442 -3.3892 -3.3892 -3.0479 -3.0479 -2.6676 -2.6676 -2.4909 -2.4909 -2.3370 -2.3370 -2.1932 -2.1932 -2.1030 -2.1030 -1.9923 -1.9923 -1.9399 -1.9399 -1.9128 -1.9128 -1.8620 -1.8620 -1.8373 -1.8373 -1.8065 -1.8065 -1.6628 -1.6628 -1.1272 -1.1272 -1.0298 -1.0298 k = 0.2581 0.4470-0.0000 ( 13782 PWs) bands (ev): -18.3833 -18.3833 -16.6223 -16.6223 -16.5940 -16.5940 -15.0369 -15.0369 -14.3991 -14.3991 -14.1986 -14.1986 -13.3808 -13.3808 -13.3545 -13.3545 -11.3777 -11.3777 -11.2058 -11.2058 -10.7713 -10.7713 -8.5557 -8.5557 -8.4809 -8.4809 -6.9550 -6.9550 -5.6921 -5.6921 -5.2268 -5.2268 -5.0982 -5.0982 -3.4463 -3.4463 -3.3859 -3.3859 -3.0432 -3.0432 -2.6642 -2.6642 -2.4939 -2.4939 -2.3388 -2.3388 -2.1872 -2.1872 -2.1023 -2.1023 -1.9914 -1.9914 -1.9469 -1.9469 -1.9134 -1.9134 -1.8592 -1.8592 -1.8300 -1.8300 -1.8028 -1.8028 -1.6648 -1.6648 -1.1297 -1.1297 -1.0221 -1.0221 k = 0.2473 0.4284-0.0000 ( 13784 PWs) bands (ev): -18.3837 -18.3837 -16.6222 -16.6222 -16.5939 -16.5939 -15.0371 -15.0371 -14.3987 -14.3987 -14.1972 -14.1972 -13.3827 -13.3827 -13.3526 -13.3526 -11.3782 -11.3782 -11.2060 -11.2060 -10.7717 -10.7717 -8.5563 -8.5563 -8.4757 -8.4757 -6.9636 -6.9636 -5.6977 -5.6977 -5.2331 -5.2331 -5.0980 -5.0980 -3.4477 -3.4477 -3.3831 -3.3831 -3.0373 -3.0373 -2.6605 -2.6605 -2.4970 -2.4970 -2.3414 -2.3414 -2.1801 -2.1801 -2.1013 -2.1013 -1.9915 -1.9915 -1.9537 -1.9537 -1.9134 -1.9134 -1.8565 -1.8565 -1.8228 -1.8228 -1.7982 -1.7982 -1.6670 -1.6670 -1.1301 -1.1301 -1.0140 -1.0140 k = 0.2366 0.4097-0.0000 ( 13789 PWs) bands (ev): -18.3842 -18.3842 -16.6221 -16.6221 -16.5937 -16.5937 -15.0374 -15.0374 -14.3982 -14.3982 -14.1957 -14.1957 -13.3847 -13.3847 -13.3506 -13.3506 -11.3787 -11.3787 -11.2062 -11.2062 -10.7722 -10.7722 -8.5558 -8.5558 -8.4708 -8.4708 -6.9735 -6.9735 -5.7039 -5.7039 -5.2396 -5.2396 -5.0985 -5.0985 -3.4484 -3.4484 -3.3807 -3.3807 -3.0304 -3.0304 -2.6566 -2.6566 -2.5003 -2.5003 -2.3447 -2.3447 -2.1719 -2.1719 -2.1000 -2.1000 -1.9927 -1.9927 -1.9602 -1.9602 -1.9129 -1.9129 -1.8539 -1.8539 -1.8158 -1.8158 -1.7927 -1.7927 -1.6693 -1.6693 -1.1281 -1.1281 -1.0053 -1.0053 k = 0.2258 0.3911-0.0000 ( 13799 PWs) bands (ev): -18.3847 -18.3847 -16.6220 -16.6220 -16.5935 -16.5935 -15.0377 -15.0377 -14.3975 -14.3975 -14.1940 -14.1940 -13.3867 -13.3867 -13.3486 -13.3486 -11.3794 -11.3794 -11.2065 -11.2065 -10.7727 -10.7727 -8.5543 -8.5543 -8.4663 -8.4663 -6.9844 -6.9844 -5.7108 -5.7108 -5.2462 -5.2462 -5.0997 -5.0997 -3.4485 -3.4485 -3.3789 -3.3789 -3.0222 -3.0222 -2.6525 -2.6525 -2.5038 -2.5038 -2.3487 -2.3487 -2.1630 -2.1630 -2.0982 -2.0982 -1.9949 -1.9949 -1.9664 -1.9664 -1.9120 -1.9120 -1.8513 -1.8513 -1.8088 -1.8088 -1.7864 -1.7864 -1.6719 -1.6719 -1.1238 -1.1238 -0.9962 -0.9962 k = 0.2151 0.3725-0.0000 ( 13797 PWs) bands (ev): -18.3854 -18.3854 -16.6218 -16.6218 -16.5933 -16.5933 -15.0380 -15.0380 -14.3968 -14.3968 -14.1922 -14.1922 -13.3886 -13.3886 -13.3467 -13.3467 -11.3801 -11.3801 -11.2067 -11.2067 -10.7733 -10.7733 -8.5518 -8.5518 -8.4622 -8.4622 -6.9965 -6.9965 -5.7183 -5.7183 -5.2530 -5.2530 -5.1016 -5.1016 -3.4479 -3.4479 -3.3775 -3.3775 -3.0128 -3.0128 -2.6485 -2.6485 -2.5074 -2.5074 -2.3533 -2.3533 -2.1539 -2.1539 -2.0958 -2.0958 -1.9978 -1.9978 -1.9721 -1.9721 -1.9105 -1.9105 -1.8488 -1.8488 -1.8018 -1.8018 -1.7794 -1.7794 -1.6746 -1.6746 -1.1172 -1.1172 -0.9868 -0.9868 k = 0.2043 0.3539-0.0000 ( 13797 PWs) bands (ev): -18.3860 -18.3860 -16.6216 -16.6216 -16.5931 -16.5931 -15.0384 -15.0384 -14.3960 -14.3960 -14.1902 -14.1902 -13.3905 -13.3905 -13.3448 -13.3448 -11.3808 -11.3808 -11.2070 -11.2070 -10.7739 -10.7739 -8.5484 -8.5484 -8.4585 -8.4585 -7.0094 -7.0094 -5.7263 -5.7263 -5.2597 -5.2597 -5.1041 -5.1041 -3.4466 -3.4466 -3.3767 -3.3767 -3.0022 -3.0022 -2.6445 -2.6445 -2.5112 -2.5112 -2.3584 -2.3584 -2.1450 -2.1450 -2.0928 -2.0928 -2.0010 -2.0010 -1.9774 -1.9774 -1.9087 -1.9087 -1.8463 -1.8463 -1.7949 -1.7949 -1.7719 -1.7719 -1.6774 -1.6774 -1.1085 -1.1085 -0.9772 -0.9772 k = 0.1935 0.3352-0.0000 ( 13797 PWs) bands (ev): -18.3867 -18.3867 -16.6214 -16.6214 -16.5929 -16.5929 -15.0388 -15.0388 -14.3951 -14.3951 -14.1882 -14.1882 -13.3924 -13.3924 -13.3429 -13.3429 -11.3816 -11.3816 -11.2074 -11.2074 -10.7746 -10.7746 -8.5441 -8.5441 -8.4552 -8.4552 -7.0231 -7.0231 -5.7350 -5.7350 -5.2665 -5.2665 -5.1071 -5.1071 -3.4448 -3.4448 -3.3762 -3.3762 -2.9904 -2.9904 -2.6407 -2.6407 -2.5151 -2.5151 -2.3639 -2.3639 -2.1371 -2.1371 -2.0891 -2.0891 -2.0043 -2.0043 -1.9819 -1.9819 -1.9066 -1.9066 -1.8439 -1.8439 -1.7880 -1.7880 -1.7640 -1.7640 -1.6803 -1.6803 -1.0978 -1.0978 -0.9674 -0.9674 k = 0.1828 0.3166-0.0000 ( 13777 PWs) bands (ev): -18.3874 -18.3874 -16.6211 -16.6211 -16.5927 -16.5927 -15.0392 -15.0392 -14.3941 -14.3941 -14.1861 -14.1861 -13.3942 -13.3942 -13.3410 -13.3410 -11.3825 -11.3825 -11.2077 -11.2077 -10.7752 -10.7752 -8.5390 -8.5390 -8.4524 -8.4524 -7.0375 -7.0375 -5.7442 -5.7442 -5.2733 -5.2733 -5.1106 -5.1106 -3.4423 -3.4423 -3.3762 -3.3762 -2.9775 -2.9775 -2.6370 -2.6370 -2.5192 -2.5192 -2.3699 -2.3699 -2.1308 -2.1308 -2.0846 -2.0846 -2.0076 -2.0076 -1.9853 -1.9853 -1.9041 -1.9041 -1.8414 -1.8414 -1.7813 -1.7813 -1.7557 -1.7557 -1.6832 -1.6832 -1.0854 -1.0854 -0.9575 -0.9575 k = 0.1720 0.2980-0.0000 ( 13797 PWs) bands (ev): -18.3882 -18.3882 -16.6209 -16.6209 -16.5925 -16.5925 -15.0396 -15.0396 -14.3931 -14.3931 -14.1839 -14.1839 -13.3959 -13.3959 -13.3393 -13.3393 -11.3834 -11.3834 -11.2080 -11.2080 -10.7760 -10.7760 -8.5332 -8.5332 -8.4499 -8.4499 -7.0523 -7.0523 -5.7539 -5.7539 -5.2800 -5.2800 -5.1144 -5.1144 -3.4394 -3.4394 -3.3765 -3.3765 -2.9635 -2.9635 -2.6337 -2.6337 -2.5234 -2.5234 -2.3762 -2.3762 -2.1266 -2.1266 -2.0797 -2.0797 -2.0109 -2.0109 -1.9870 -1.9870 -1.9012 -1.9012 -1.8389 -1.8389 -1.7749 -1.7749 -1.7471 -1.7471 -1.6860 -1.6860 -1.0716 -1.0716 -0.9477 -0.9477 k = 0.1613 0.2794-0.0000 ( 13809 PWs) bands (ev): -18.3890 -18.3890 -16.6206 -16.6206 -16.5923 -16.5923 -15.0400 -15.0400 -14.3920 -14.3920 -14.1817 -14.1817 -13.3976 -13.3976 -13.3375 -13.3375 -11.3842 -11.3842 -11.2084 -11.2084 -10.7767 -10.7767 -8.5267 -8.5267 -8.4478 -8.4478 -7.0673 -7.0673 -5.7641 -5.7641 -5.2866 -5.2866 -5.1183 -5.1183 -3.4361 -3.4361 -3.3771 -3.3771 -2.9485 -2.9485 -2.6306 -2.6306 -2.5277 -2.5277 -2.3828 -2.3828 -2.1245 -2.1245 -2.0751 -2.0751 -2.0142 -2.0142 -1.9865 -1.9865 -1.8977 -1.8977 -1.8365 -1.8365 -1.7688 -1.7688 -1.7383 -1.7383 -1.6885 -1.6885 -1.0566 -1.0566 -0.9380 -0.9380 k = 0.1505 0.2607-0.0000 ( 13801 PWs) bands (ev): -18.3898 -18.3898 -16.6203 -16.6203 -16.5922 -16.5922 -15.0405 -15.0405 -14.3909 -14.3909 -14.1794 -14.1794 -13.3993 -13.3993 -13.3359 -13.3359 -11.3852 -11.3852 -11.2088 -11.2088 -10.7775 -10.7775 -8.5197 -8.5197 -8.4460 -8.4460 -7.0825 -7.0825 -5.7747 -5.7747 -5.2931 -5.2931 -5.1224 -5.1224 -3.4324 -3.4324 -3.3779 -3.3779 -2.9326 -2.9326 -2.6279 -2.6279 -2.5321 -2.5321 -2.3897 -2.3897 -2.1243 -2.1243 -2.0711 -2.0711 -2.0177 -2.0177 -1.9838 -1.9838 -1.8934 -1.8934 -1.8342 -1.8342 -1.7630 -1.7630 -1.7295 -1.7295 -1.6906 -1.6906 -1.0409 -1.0409 -0.9287 -0.9287 k = 0.1398 0.2421-0.0000 ( 13805 PWs) bands (ev): -18.3906 -18.3906 -16.6201 -16.6201 -16.5920 -16.5920 -15.0410 -15.0410 -14.3898 -14.3898 -14.1772 -14.1772 -13.4008 -13.4008 -13.3343 -13.3343 -11.3861 -11.3861 -11.2091 -11.2091 -10.7782 -10.7782 -8.5123 -8.5123 -8.4446 -8.4446 -7.0975 -7.0975 -5.7855 -5.7855 -5.2994 -5.2994 -5.1264 -5.1264 -3.4285 -3.4285 -3.3790 -3.3790 -2.9160 -2.9160 -2.6256 -2.6256 -2.5366 -2.5366 -2.3969 -2.3969 -2.1259 -2.1259 -2.0678 -2.0678 -2.0213 -2.0213 -1.9795 -1.9795 -1.8883 -1.8883 -1.8319 -1.8319 -1.7576 -1.7576 -1.7214 -1.7214 -1.6917 -1.6917 -1.0247 -1.0247 -0.9199 -0.9199 k = 0.1290 0.2235-0.0000 ( 13795 PWs) bands (ev): -18.3913 -18.3913 -16.6198 -16.6198 -16.5918 -16.5918 -15.0414 -15.0414 -14.3887 -14.3887 -14.1749 -14.1749 -13.4023 -13.4023 -13.3328 -13.3328 -11.3870 -11.3870 -11.2095 -11.2095 -10.7789 -10.7789 -8.5046 -8.5046 -8.4435 -8.4435 -7.1122 -7.1122 -5.7966 -5.7966 -5.3055 -5.3055 -5.1303 -5.1303 -3.4244 -3.4244 -3.3801 -3.3801 -2.8988 -2.8988 -2.6237 -2.6237 -2.5410 -2.5410 -2.4044 -2.4044 -2.1289 -2.1289 -2.0651 -2.0651 -2.0248 -2.0248 -1.9743 -1.9743 -1.8822 -1.8822 -1.8296 -1.8296 -1.7526 -1.7526 -1.7150 -1.7150 -1.6905 -1.6905 -1.0085 -1.0085 -0.9119 -0.9119 k = 0.1183 0.2049-0.0000 ( 13807 PWs) bands (ev): -18.3921 -18.3921 -16.6195 -16.6195 -16.5916 -16.5916 -15.0419 -15.0419 -14.3876 -14.3876 -14.1727 -14.1727 -13.4037 -13.4037 -13.3314 -13.3314 -11.3879 -11.3879 -11.2098 -11.2098 -10.7797 -10.7797 -8.4968 -8.4968 -8.4427 -8.4427 -7.1264 -7.1264 -5.8076 -5.8076 -5.3114 -5.3114 -5.1339 -5.1339 -3.4202 -3.4202 -3.3814 -3.3814 -2.8811 -2.8811 -2.6221 -2.6221 -2.5455 -2.5455 -2.4122 -2.4122 -2.1330 -2.1330 -2.0628 -2.0628 -2.0282 -2.0282 -1.9690 -1.9690 -1.8752 -1.8752 -1.8275 -1.8275 -1.7480 -1.7480 -1.7119 -1.7119 -1.6857 -1.6857 -0.9926 -0.9926 -0.9047 -0.9047 k = 0.1075 0.1862-0.0000 ( 13813 PWs) bands (ev): -18.3928 -18.3928 -16.6193 -16.6193 -16.5914 -16.5914 -15.0424 -15.0424 -14.3865 -14.3865 -14.1706 -14.1706 -13.4049 -13.4049 -13.3301 -13.3301 -11.3887 -11.3887 -11.2102 -11.2102 -10.7804 -10.7804 -8.4890 -8.4890 -8.4421 -8.4421 -7.1400 -7.1400 -5.8186 -5.8186 -5.3169 -5.3169 -5.1374 -5.1374 -3.4160 -3.4160 -3.3827 -3.3827 -2.8632 -2.8632 -2.6210 -2.6210 -2.5498 -2.5498 -2.4203 -2.4203 -2.1378 -2.1378 -2.0606 -2.0606 -2.0313 -2.0313 -1.9643 -1.9643 -1.8676 -1.8676 -1.8256 -1.8256 -1.7438 -1.7438 -1.7116 -1.7116 -1.6777 -1.6777 -0.9774 -0.9774 -0.8984 -0.8984 k = 0.0968 0.1676-0.0000 ( 13809 PWs) bands (ev): -18.3935 -18.3935 -16.6190 -16.6190 -16.5912 -16.5912 -15.0428 -15.0428 -14.3855 -14.3855 -14.1686 -14.1686 -13.4061 -13.4061 -13.3290 -13.3290 -11.3896 -11.3896 -11.2105 -11.2105 -10.7810 -10.7810 -8.4814 -8.4814 -8.4417 -8.4417 -7.1528 -7.1528 -5.8293 -5.8293 -5.3222 -5.3222 -5.1404 -5.1404 -3.4119 -3.4119 -3.3840 -3.3840 -2.8452 -2.8452 -2.6202 -2.6202 -2.5540 -2.5540 -2.4287 -2.4287 -2.1430 -2.1430 -2.0587 -2.0587 -2.0340 -2.0340 -1.9602 -1.9602 -1.8597 -1.8597 -1.8237 -1.8237 -1.7400 -1.7400 -1.7125 -1.7125 -1.6682 -1.6682 -0.9633 -0.9633 -0.8929 -0.8929 k = 0.0860 0.1490-0.0000 ( 13823 PWs) bands (ev): -18.3942 -18.3942 -16.6188 -16.6188 -16.5910 -16.5910 -15.0432 -15.0432 -14.3845 -14.3845 -14.1667 -14.1667 -13.4072 -13.4072 -13.3279 -13.3279 -11.3903 -11.3903 -11.2108 -11.2108 -10.7817 -10.7817 -8.4740 -8.4740 -8.4414 -8.4414 -7.1646 -7.1646 -5.8395 -5.8395 -5.3270 -5.3270 -5.1432 -5.1432 -3.4079 -3.4079 -3.3852 -3.3852 -2.8273 -2.8273 -2.6197 -2.6197 -2.5579 -2.5579 -2.4372 -2.4372 -2.1484 -2.1484 -2.0569 -2.0569 -2.0364 -2.0364 -1.9569 -1.9569 -1.8519 -1.8519 -1.8221 -1.8221 -1.7366 -1.7366 -1.7139 -1.7139 -1.6581 -1.6581 -0.9506 -0.9506 -0.8880 -0.8880 k = 0.0753 0.1304-0.0000 ( 13835 PWs) bands (ev): -18.3948 -18.3948 -16.6186 -16.6186 -16.5909 -16.5909 -15.0436 -15.0436 -14.3837 -14.3837 -14.1649 -14.1649 -13.4081 -13.4081 -13.3269 -13.3269 -11.3911 -11.3911 -11.2111 -11.2111 -10.7823 -10.7823 -8.4672 -8.4672 -8.4413 -8.4413 -7.1753 -7.1753 -5.8491 -5.8491 -5.3314 -5.3314 -5.1456 -5.1456 -3.4042 -3.4042 -3.3863 -3.3863 -2.8099 -2.8099 -2.6197 -2.6197 -2.5615 -2.5615 -2.4459 -2.4459 -2.1536 -2.1536 -2.0553 -2.0553 -2.0385 -2.0385 -1.9543 -1.9543 -1.8445 -1.8445 -1.8206 -1.8206 -1.7336 -1.7336 -1.7154 -1.7154 -1.6480 -1.6480 -0.9396 -0.9396 -0.8836 -0.8836 k = 0.0645 0.1117-0.0000 ( 13827 PWs) bands (ev): -18.3953 -18.3953 -16.6185 -16.6185 -16.5907 -16.5907 -15.0440 -15.0440 -14.3829 -14.3829 -14.1633 -14.1633 -13.4090 -13.4090 -13.3261 -13.3261 -11.3917 -11.3917 -11.2113 -11.2113 -10.7828 -10.7828 -8.4609 -8.4609 -8.4413 -8.4413 -7.1849 -7.1849 -5.8578 -5.8578 -5.3353 -5.3353 -5.1477 -5.1477 -3.4009 -3.4009 -3.3873 -3.3873 -2.7932 -2.7932 -2.6201 -2.6201 -2.5646 -2.5646 -2.4545 -2.4545 -2.1585 -2.1585 -2.0540 -2.0540 -2.0400 -2.0400 -1.9523 -1.9523 -1.8377 -1.8377 -1.8193 -1.8193 -1.7310 -1.7310 -1.7167 -1.7167 -1.6384 -1.6384 -0.9303 -0.9303 -0.8795 -0.8795 k = 0.0538 0.0931-0.0000 ( 13821 PWs) bands (ev): -18.3958 -18.3958 -16.6183 -16.6183 -16.5906 -16.5906 -15.0443 -15.0443 -14.3823 -14.3823 -14.1619 -14.1619 -13.4097 -13.4097 -13.3253 -13.3253 -11.3923 -11.3923 -11.2116 -11.2116 -10.7832 -10.7832 -8.4554 -8.4554 -8.4413 -8.4413 -7.1931 -7.1931 -5.8656 -5.8656 -5.3387 -5.3387 -5.1494 -5.1494 -3.3980 -3.3980 -3.3881 -3.3881 -2.7776 -2.7776 -2.6208 -2.6208 -2.5671 -2.5671 -2.4628 -2.4628 -2.1628 -2.1628 -2.0531 -2.0531 -2.0411 -2.0411 -1.9507 -1.9507 -1.8319 -1.8319 -1.8182 -1.8182 -1.7289 -1.7289 -1.7178 -1.7178 -1.6296 -1.6296 -0.9229 -0.9229 -0.8756 -0.8756 k = 0.0430 0.0745-0.0000 ( 13817 PWs) bands (ev): -18.3962 -18.3962 -16.6182 -16.6182 -16.5905 -16.5905 -15.0445 -15.0445 -14.3817 -14.3817 -14.1608 -14.1608 -13.4103 -13.4103 -13.3247 -13.3247 -11.3927 -11.3927 -11.2117 -11.2117 -10.7836 -10.7836 -8.4507 -8.4507 -8.4414 -8.4414 -7.2000 -7.2000 -5.8722 -5.8722 -5.3416 -5.3416 -5.1507 -5.1507 -3.3956 -3.3956 -3.3887 -3.3887 -2.7635 -2.7635 -2.6219 -2.6219 -2.5691 -2.5691 -2.4705 -2.4705 -2.1665 -2.1665 -2.0524 -2.0524 -2.0418 -2.0418 -1.9496 -1.9496 -1.8270 -1.8270 -1.8173 -1.8173 -1.7273 -1.7273 -1.7185 -1.7185 -1.6219 -1.6219 -0.9173 -0.9173 -0.8722 -0.8722 k = 0.0323 0.0559-0.0000 ( 13797 PWs) bands (ev): -18.3965 -18.3965 -16.6181 -16.6181 -16.5904 -16.5904 -15.0447 -15.0447 -14.3813 -14.3813 -14.1598 -14.1598 -13.4107 -13.4107 -13.3243 -13.3243 -11.3931 -11.3931 -11.2119 -11.2119 -10.7839 -10.7839 -8.4471 -8.4471 -8.4414 -8.4414 -7.2054 -7.2054 -5.8774 -5.8774 -5.3438 -5.3438 -5.1518 -5.1518 -3.3939 -3.3939 -3.3890 -3.3890 -2.7515 -2.7515 -2.6233 -2.6233 -2.5704 -2.5704 -2.4773 -2.4773 -2.1695 -2.1695 -2.0521 -2.0521 -2.0421 -2.0421 -1.9487 -1.9487 -1.8232 -1.8232 -1.8166 -1.8166 -1.7261 -1.7261 -1.7190 -1.7190 -1.6155 -1.6155 -0.9132 -0.9132 -0.8693 -0.8693 k = 0.0215 0.0372-0.0000 ( 13801 PWs) bands (ev): -18.3967 -18.3967 -16.6180 -16.6180 -16.5903 -16.5903 -15.0449 -15.0449 -14.3809 -14.3809 -14.1592 -14.1592 -13.4111 -13.4111 -13.3239 -13.3239 -11.3934 -11.3934 -11.2120 -11.2120 -10.7841 -10.7841 -8.4446 -8.4446 -8.4412 -8.4412 -7.2093 -7.2093 -5.8813 -5.8813 -5.3454 -5.3454 -5.1525 -5.1525 -3.3930 -3.3930 -3.3889 -3.3889 -2.7423 -2.7423 -2.6246 -2.6246 -2.5712 -2.5712 -2.4826 -2.4826 -2.1717 -2.1717 -2.0521 -2.0521 -2.0422 -2.0422 -1.9482 -1.9482 -1.8204 -1.8204 -1.8162 -1.8162 -1.7255 -1.7255 -1.7192 -1.7192 -1.6108 -1.6108 -0.9104 -0.9104 -0.8670 -0.8670 k = 0.0108 0.0186-0.0000 ( 13801 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1587 -14.1587 -13.4113 -13.4113 -13.3237 -13.3237 -11.3935 -11.3935 -11.2120 -11.2120 -10.7842 -10.7842 -8.4434 -8.4434 -8.4407 -8.4407 -7.2116 -7.2116 -5.8836 -5.8836 -5.3464 -5.3464 -5.1530 -5.1530 -3.3926 -3.3926 -3.3886 -3.3886 -2.7363 -2.7363 -2.6256 -2.6256 -2.5716 -2.5716 -2.4860 -2.4860 -2.1730 -2.1730 -2.0521 -2.0521 -2.0422 -2.0422 -1.9478 -1.9478 -1.8186 -1.8186 -1.8160 -1.8160 -1.7252 -1.7252 -1.7192 -1.7192 -1.6079 -1.6079 -0.9088 -0.9088 -0.8656 -0.8656 k = 0.0000 0.0000 0.0000 ( 13799 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2124 -7.2124 -5.8844 -5.8844 -5.3467 -5.3467 -5.1531 -5.1531 -3.3926 -3.3926 -3.3885 -3.3885 -2.7343 -2.7343 -2.6260 -2.6260 -2.5717 -2.5717 -2.4872 -2.4872 -2.1735 -2.1735 -2.0521 -2.0521 -2.0422 -2.0422 -1.9477 -1.9477 -1.8180 -1.8180 -1.8161 -1.8161 -1.7251 -1.7251 -1.7191 -1.7191 -1.6069 -1.6069 -0.9083 -0.9083 -0.8652 -0.8652 k = 0.0000 0.0000 0.0000 ( 13799 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2124 -7.2124 -5.8844 -5.8844 -5.3467 -5.3467 -5.1531 -5.1531 -3.3926 -3.3926 -3.3885 -3.3885 -2.7343 -2.7343 -2.6260 -2.6260 -2.5717 -2.5717 -2.4872 -2.4872 -2.1735 -2.1735 -2.0521 -2.0521 -2.0422 -2.0422 -1.9477 -1.9477 -1.8180 -1.8180 -1.8161 -1.8161 -1.7251 -1.7251 -1.7191 -1.7191 -1.6069 -1.6069 -0.9083 -0.9083 -0.8652 -0.8652 k = 0.0000 0.0000 0.0202 ( 13805 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2124 -7.2124 -5.8844 -5.8844 -5.3467 -5.3467 -5.1531 -5.1531 -3.3925 -3.3925 -3.3885 -3.3885 -2.7343 -2.7343 -2.6260 -2.6260 -2.5715 -2.5715 -2.4872 -2.4872 -2.1735 -2.1735 -2.0521 -2.0521 -2.0422 -2.0422 -1.9477 -1.9477 -1.8189 -1.8189 -1.8153 -1.8153 -1.7251 -1.7251 -1.7191 -1.7191 -1.6070 -1.6070 -0.9083 -0.9083 -0.8652 -0.8652 k = 0.0000 0.0000 0.0405 ( 13805 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2124 -7.2124 -5.8844 -5.8844 -5.3467 -5.3467 -5.1531 -5.1531 -3.3925 -3.3925 -3.3885 -3.3885 -2.7343 -2.7343 -2.6261 -2.6261 -2.5709 -2.5709 -2.4872 -2.4872 -2.1735 -2.1735 -2.0522 -2.0522 -2.0421 -2.0421 -1.9478 -1.9478 -1.8207 -1.8207 -1.8141 -1.8141 -1.7252 -1.7252 -1.7190 -1.7190 -1.6071 -1.6071 -0.9084 -0.9084 -0.8652 -0.8652 k = 0.0000 0.0000 0.0607 ( 13805 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2125 -7.2125 -5.8844 -5.8844 -5.3467 -5.3467 -5.1531 -5.1531 -3.3925 -3.3925 -3.3884 -3.3884 -2.7343 -2.7343 -2.6263 -2.6263 -2.5699 -2.5699 -2.4872 -2.4872 -2.1735 -2.1735 -2.0523 -2.0523 -2.0421 -2.0421 -1.9478 -1.9478 -1.8227 -1.8227 -1.8130 -1.8130 -1.7254 -1.7254 -1.7189 -1.7189 -1.6072 -1.6072 -0.9084 -0.9084 -0.8652 -0.8652 k = 0.0000 0.0000 0.0810 ( 13847 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2125 -7.2125 -5.8844 -5.8844 -5.3467 -5.3467 -5.1531 -5.1531 -3.3925 -3.3925 -3.3884 -3.3884 -2.7343 -2.7343 -2.6265 -2.6265 -2.5685 -2.5685 -2.4872 -2.4872 -2.1735 -2.1735 -2.0524 -2.0524 -2.0421 -2.0421 -1.9479 -1.9479 -1.8249 -1.8249 -1.8121 -1.8121 -1.7257 -1.7257 -1.7188 -1.7188 -1.6075 -1.6075 -0.9084 -0.9084 -0.8653 -0.8653 k = 0.0000 0.0000 0.1012 ( 13848 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2125 -7.2125 -5.8844 -5.8844 -5.3467 -5.3467 -5.1532 -5.1532 -3.3924 -3.3924 -3.3884 -3.3884 -2.7343 -2.7343 -2.6267 -2.6267 -2.5668 -2.5668 -2.4872 -2.4872 -2.1735 -2.1735 -2.0526 -2.0526 -2.0421 -2.0421 -1.9480 -1.9480 -1.8272 -1.8272 -1.8113 -1.8113 -1.7260 -1.7260 -1.7186 -1.7186 -1.6077 -1.6077 -0.9085 -0.9085 -0.8654 -0.8654 k = 0.0000 0.0000 0.1215 ( 13854 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2126 -7.2126 -5.8844 -5.8844 -5.3467 -5.3467 -5.1532 -5.1532 -3.3924 -3.3924 -3.3883 -3.3883 -2.7343 -2.7343 -2.6269 -2.6269 -2.5649 -2.5649 -2.4872 -2.4872 -2.1735 -2.1735 -2.0528 -2.0528 -2.0420 -2.0420 -1.9480 -1.9480 -1.8297 -1.8297 -1.8106 -1.8106 -1.7263 -1.7263 -1.7183 -1.7183 -1.6080 -1.6080 -0.9085 -0.9085 -0.8654 -0.8654 k = 0.0000 0.0000 0.1417 ( 13878 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2126 -7.2126 -5.8844 -5.8844 -5.3467 -5.3467 -5.1532 -5.1532 -3.3923 -3.3923 -3.3883 -3.3883 -2.7343 -2.7343 -2.6271 -2.6271 -2.5628 -2.5628 -2.4872 -2.4872 -2.1735 -2.1735 -2.0530 -2.0530 -2.0420 -2.0420 -1.9481 -1.9481 -1.8321 -1.8321 -1.8101 -1.8101 -1.7267 -1.7267 -1.7181 -1.7181 -1.6084 -1.6084 -0.9086 -0.9086 -0.8655 -0.8655 k = 0.0000 0.0000 0.1620 ( 13860 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2126 -7.2126 -5.8844 -5.8844 -5.3467 -5.3467 -5.1532 -5.1532 -3.3923 -3.3923 -3.3882 -3.3882 -2.7343 -2.7343 -2.6274 -2.6274 -2.5607 -2.5607 -2.4872 -2.4872 -2.1735 -2.1735 -2.0532 -2.0532 -2.0419 -2.0419 -1.9482 -1.9482 -1.8346 -1.8346 -1.8096 -1.8096 -1.7270 -1.7270 -1.7178 -1.7178 -1.6087 -1.6087 -0.9087 -0.9087 -0.8656 -0.8656 k = 0.0000 0.0000 0.1822 ( 13848 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2127 -7.2127 -5.8843 -5.8843 -5.3467 -5.3467 -5.1532 -5.1532 -3.3922 -3.3922 -3.3881 -3.3881 -2.7343 -2.7343 -2.6276 -2.6276 -2.5585 -2.5585 -2.4872 -2.4872 -2.1736 -2.1736 -2.0534 -2.0534 -2.0418 -2.0418 -1.9484 -1.9484 -1.8369 -1.8369 -1.8091 -1.8091 -1.7274 -1.7274 -1.7175 -1.7175 -1.6091 -1.6091 -0.9087 -0.9087 -0.8657 -0.8657 k = 0.0000 0.0000 0.2025 ( 13854 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2127 -7.2127 -5.8843 -5.8843 -5.3467 -5.3467 -5.1532 -5.1532 -3.3922 -3.3922 -3.3881 -3.3881 -2.7343 -2.7343 -2.6278 -2.6278 -2.5565 -2.5565 -2.4872 -2.4872 -2.1736 -2.1736 -2.0536 -2.0536 -2.0418 -2.0418 -1.9485 -1.9485 -1.8392 -1.8392 -1.8088 -1.8088 -1.7277 -1.7277 -1.7172 -1.7172 -1.6094 -1.6094 -0.9088 -0.9088 -0.8657 -0.8657 k = 0.0000 0.0000 0.2227 ( 13830 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2128 -7.2128 -5.8843 -5.8843 -5.3467 -5.3467 -5.1532 -5.1532 -3.3921 -3.3921 -3.3880 -3.3880 -2.7343 -2.7343 -2.6279 -2.6279 -2.5546 -2.5546 -2.4872 -2.4872 -2.1737 -2.1737 -2.0538 -2.0538 -2.0418 -2.0418 -1.9486 -1.9486 -1.8412 -1.8412 -1.8085 -1.8085 -1.7280 -1.7280 -1.7169 -1.7169 -1.6098 -1.6098 -0.9088 -0.9088 -0.8658 -0.8658 k = 0.0000 0.0000 0.2429 ( 13818 PWs) bands (ev): -18.3969 -18.3969 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2128 -7.2128 -5.8843 -5.8843 -5.3468 -5.3468 -5.1532 -5.1532 -3.3921 -3.3921 -3.3880 -3.3880 -2.7343 -2.7343 -2.6280 -2.6280 -2.5529 -2.5529 -2.4872 -2.4872 -2.1737 -2.1737 -2.0539 -2.0539 -2.0417 -2.0417 -1.9487 -1.9487 -1.8429 -1.8429 -1.8083 -1.8083 -1.7283 -1.7283 -1.7167 -1.7167 -1.6100 -1.6100 -0.9089 -0.9089 -0.8659 -0.8659 k = 0.0000 0.0000 0.2632 ( 13800 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2128 -7.2128 -5.8843 -5.8843 -5.3468 -5.3468 -5.1532 -5.1532 -3.3920 -3.3920 -3.3880 -3.3880 -2.7343 -2.7343 -2.6282 -2.6282 -2.5515 -2.5515 -2.4872 -2.4872 -2.1738 -2.1738 -2.0540 -2.0540 -2.0416 -2.0416 -1.9489 -1.9489 -1.8443 -1.8443 -1.8081 -1.8081 -1.7285 -1.7285 -1.7165 -1.7165 -1.6103 -1.6103 -0.9089 -0.9089 -0.8659 -0.8659 k = 0.0000 0.0000 0.2834 ( 13824 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2129 -7.2129 -5.8843 -5.8843 -5.3468 -5.3468 -5.1532 -5.1532 -3.3920 -3.3920 -3.3879 -3.3879 -2.7343 -2.7343 -2.6282 -2.6282 -2.5505 -2.5505 -2.4872 -2.4872 -2.1738 -2.1738 -2.0541 -2.0541 -2.0416 -2.0416 -1.9490 -1.9490 -1.8454 -1.8454 -1.8080 -1.8080 -1.7287 -1.7287 -1.7164 -1.7164 -1.6105 -1.6105 -0.9090 -0.9090 -0.8659 -0.8659 k = 0.0000 0.0000 0.3037 ( 13842 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2129 -7.2129 -5.8843 -5.8843 -5.3468 -5.3468 -5.1532 -5.1532 -3.3920 -3.3920 -3.3879 -3.3879 -2.7343 -2.7343 -2.6283 -2.6283 -2.5499 -2.5499 -2.4872 -2.4872 -2.1738 -2.1738 -2.0542 -2.0542 -2.0416 -2.0416 -1.9491 -1.9491 -1.8460 -1.8460 -1.8080 -1.8080 -1.7288 -1.7288 -1.7163 -1.7163 -1.6106 -1.6106 -0.9090 -0.9090 -0.8660 -0.8660 k = 0.0000 0.0000 0.3239 ( 13830 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2129 -7.2129 -5.8843 -5.8843 -5.3468 -5.3468 -5.1532 -5.1532 -3.3920 -3.3920 -3.3879 -3.3879 -2.7343 -2.7343 -2.6283 -2.6283 -2.5497 -2.5497 -2.4872 -2.4872 -2.1738 -2.1738 -2.0542 -2.0542 -2.0416 -2.0416 -1.9491 -1.9491 -1.8462 -1.8462 -1.8080 -1.8080 -1.7288 -1.7288 -1.7162 -1.7162 -1.6106 -1.6106 -0.9090 -0.9090 -0.8660 -0.8660 k = 0.0000 0.0000 0.3239 ( 13830 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2129 -7.2129 -5.8843 -5.8843 -5.3468 -5.3468 -5.1532 -5.1532 -3.3920 -3.3920 -3.3879 -3.3879 -2.7343 -2.7343 -2.6283 -2.6283 -2.5497 -2.5497 -2.4872 -2.4872 -2.1738 -2.1738 -2.0542 -2.0542 -2.0416 -2.0416 -1.9491 -1.9491 -1.8462 -1.8462 -1.8080 -1.8080 -1.7288 -1.7288 -1.7162 -1.7162 -1.6106 -1.6106 -0.9090 -0.9090 -0.8660 -0.8660 k = 0.0185 0.0107 0.3239 ( 13838 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3808 -14.3808 -14.1587 -14.1587 -13.4112 -13.4112 -13.3237 -13.3237 -11.3936 -11.3936 -11.2120 -11.2120 -10.7842 -10.7842 -8.4434 -8.4434 -8.4408 -8.4408 -7.2121 -7.2121 -5.8835 -5.8835 -5.3464 -5.3464 -5.1531 -5.1531 -3.3921 -3.3921 -3.3880 -3.3880 -2.7363 -2.7363 -2.6278 -2.6278 -2.5498 -2.5498 -2.4859 -2.4859 -2.1734 -2.1734 -2.0542 -2.0542 -2.0416 -2.0416 -1.9493 -1.9493 -1.8466 -1.8466 -1.8082 -1.8082 -1.7288 -1.7288 -1.7162 -1.7162 -1.6115 -1.6115 -0.9095 -0.9095 -0.8664 -0.8664 k = 0.0370 0.0214 0.3239 ( 13842 PWs) bands (ev): -18.3967 -18.3967 -16.6180 -16.6180 -16.5903 -16.5903 -15.0449 -15.0449 -14.3809 -14.3809 -14.1592 -14.1592 -13.4110 -13.4110 -13.3239 -13.3239 -11.3934 -11.3934 -11.2120 -11.2120 -10.7841 -10.7841 -8.4446 -8.4446 -8.4412 -8.4412 -7.2098 -7.2098 -5.8812 -5.8812 -5.3455 -5.3455 -5.1527 -5.1527 -3.3924 -3.3924 -3.3883 -3.3883 -2.7421 -2.7421 -2.6266 -2.6266 -2.5500 -2.5500 -2.4823 -2.4823 -2.1720 -2.1720 -2.0542 -2.0542 -2.0416 -2.0416 -1.9499 -1.9499 -1.8480 -1.8480 -1.8088 -1.8088 -1.7289 -1.7289 -1.7162 -1.7162 -1.6141 -1.6141 -0.9110 -0.9110 -0.8678 -0.8678 k = 0.0556 0.0321 0.3239 ( 13846 PWs) bands (ev): -18.3965 -18.3965 -16.6181 -16.6181 -16.5904 -16.5904 -15.0448 -15.0448 -14.3813 -14.3813 -14.1598 -14.1598 -13.4107 -13.4107 -13.3243 -13.3243 -11.3931 -11.3931 -11.2119 -11.2119 -10.7839 -10.7839 -8.4470 -8.4470 -8.4414 -8.4414 -7.2059 -7.2059 -5.8774 -5.8774 -5.3439 -5.3439 -5.1519 -5.1519 -3.3934 -3.3934 -3.3884 -3.3884 -2.7513 -2.7513 -2.6249 -2.6249 -2.5501 -2.5501 -2.4768 -2.4768 -2.1697 -2.1697 -2.0544 -2.0544 -2.0415 -2.0415 -1.9511 -1.9511 -1.8501 -1.8501 -1.8098 -1.8098 -1.7290 -1.7290 -1.7161 -1.7161 -1.6183 -1.6183 -0.9137 -0.9137 -0.8700 -0.8700 k = 0.0741 0.0428 0.3239 ( 13854 PWs) bands (ev): -18.3962 -18.3962 -16.6182 -16.6182 -16.5905 -16.5905 -15.0446 -15.0446 -14.3817 -14.3817 -14.1607 -14.1607 -13.4102 -13.4102 -13.3247 -13.3247 -11.3928 -11.3928 -11.2117 -11.2117 -10.7836 -10.7836 -8.4507 -8.4507 -8.4413 -8.4413 -7.2005 -7.2005 -5.8722 -5.8722 -5.3417 -5.3417 -5.1509 -5.1509 -3.3952 -3.3952 -3.3881 -3.3881 -2.7632 -2.7632 -2.6229 -2.6229 -2.5499 -2.5499 -2.4699 -2.4699 -2.1666 -2.1666 -2.0547 -2.0547 -2.0411 -2.0411 -1.9527 -1.9527 -1.8531 -1.8531 -1.8111 -1.8111 -1.7294 -1.7294 -1.7158 -1.7158 -1.6240 -1.6240 -0.9177 -0.9177 -0.8730 -0.8730 k = 0.0926 0.0535 0.3239 ( 13854 PWs) bands (ev): -18.3958 -18.3958 -16.6183 -16.6183 -16.5906 -16.5906 -15.0443 -15.0443 -14.3822 -14.3822 -14.1619 -14.1619 -13.4097 -13.4097 -13.3253 -13.3253 -11.3923 -11.3923 -11.2116 -11.2116 -10.7832 -10.7832 -8.4554 -8.4554 -8.4412 -8.4412 -7.1937 -7.1937 -5.8657 -5.8657 -5.3389 -5.3389 -5.1495 -5.1495 -3.3976 -3.3976 -3.3875 -3.3875 -2.7771 -2.7771 -2.6211 -2.6211 -2.5493 -2.5493 -2.4620 -2.4620 -2.1628 -2.1628 -2.0552 -2.0552 -2.0405 -2.0405 -1.9550 -1.9550 -1.8569 -1.8569 -1.8127 -1.8127 -1.7302 -1.7302 -1.7151 -1.7151 -1.6311 -1.6311 -0.9232 -0.9232 -0.8767 -0.8767 k = 0.1111 0.0642 0.3239 ( 13844 PWs) bands (ev): -18.3953 -18.3953 -16.6185 -16.6185 -16.5907 -16.5907 -15.0440 -15.0440 -14.3829 -14.3829 -14.1633 -14.1633 -13.4090 -13.4090 -13.3260 -13.3260 -11.3917 -11.3917 -11.2113 -11.2113 -10.7828 -10.7828 -8.4610 -8.4610 -8.4410 -8.4410 -7.1856 -7.1856 -5.8580 -5.8580 -5.3355 -5.3355 -5.1478 -5.1478 -3.4006 -3.4006 -3.3866 -3.3866 -2.7925 -2.7925 -2.6195 -2.6195 -2.5483 -2.5483 -2.4535 -2.4535 -2.1583 -2.1583 -2.0560 -2.0560 -2.0394 -2.0394 -1.9579 -1.9579 -1.8612 -1.8612 -1.8144 -1.8144 -1.7314 -1.7314 -1.7141 -1.7141 -1.6392 -1.6392 -0.9301 -0.9301 -0.8814 -0.8814 k = 0.1296 0.0748 0.3239 ( 13848 PWs) bands (ev): -18.3948 -18.3948 -16.6186 -16.6186 -16.5909 -16.5909 -15.0436 -15.0436 -14.3837 -14.3837 -14.1648 -14.1648 -13.4081 -13.4081 -13.3269 -13.3269 -11.3911 -11.3911 -11.2111 -11.2111 -10.7823 -10.7823 -8.4675 -8.4675 -8.4408 -8.4408 -7.1761 -7.1761 -5.8494 -5.8494 -5.3316 -5.3316 -5.1457 -5.1457 -3.4041 -3.4041 -3.3855 -3.3855 -2.8091 -2.8091 -2.6183 -2.6183 -2.5469 -2.5469 -2.4449 -2.4449 -2.1533 -2.1533 -2.0572 -2.0572 -2.0380 -2.0380 -1.9616 -1.9616 -1.8659 -1.8659 -1.8164 -1.8164 -1.7332 -1.7332 -1.7128 -1.7128 -1.6482 -1.6482 -0.9387 -0.9387 -0.8872 -0.8872 k = 0.1481 0.0855 0.3239 ( 13838 PWs) bands (ev): -18.3942 -18.3942 -16.6188 -16.6188 -16.5910 -16.5910 -15.0433 -15.0433 -14.3845 -14.3845 -14.1666 -14.1666 -13.4072 -13.4072 -13.3278 -13.3278 -11.3904 -11.3904 -11.2108 -11.2108 -10.7817 -10.7817 -8.4746 -8.4746 -8.4405 -8.4405 -7.1655 -7.1655 -5.8400 -5.8400 -5.3272 -5.3272 -5.1433 -5.1433 -3.4081 -3.4081 -3.3842 -3.3842 -2.8264 -2.8264 -2.6174 -2.6174 -2.5451 -2.5451 -2.4362 -2.4362 -2.1481 -2.1481 -2.0586 -2.0586 -2.0362 -2.0362 -1.9661 -1.9661 -1.8708 -1.8708 -1.8184 -1.8184 -1.7353 -1.7353 -1.7112 -1.7112 -1.6579 -1.6579 -0.9487 -0.9487 -0.8947 -0.8947 k = 0.1667 0.0962 0.3239 ( 13824 PWs) bands (ev): -18.3936 -18.3936 -16.6191 -16.6191 -16.5912 -16.5912 -15.0428 -15.0428 -14.3855 -14.3855 -14.1684 -14.1684 -13.4061 -13.4061 -13.3289 -13.3289 -11.3896 -11.3896 -11.2105 -11.2105 -10.7811 -10.7811 -8.4824 -8.4824 -8.4402 -8.4402 -7.1537 -7.1537 -5.8300 -5.8300 -5.3224 -5.3224 -5.1405 -5.1405 -3.4123 -3.4123 -3.3828 -3.3828 -2.8441 -2.8441 -2.6169 -2.6169 -2.5431 -2.5431 -2.4275 -2.4275 -2.1430 -2.1430 -2.0601 -2.0601 -2.0340 -2.0340 -1.9714 -1.9714 -1.8756 -1.8756 -1.8206 -1.8206 -1.7379 -1.7379 -1.7094 -1.7094 -1.6679 -1.6679 -0.9600 -0.9600 -0.9041 -0.9041 k = 0.1852 0.1069 0.3239 ( 13838 PWs) bands (ev): -18.3929 -18.3929 -16.6193 -16.6193 -16.5914 -16.5914 -15.0424 -15.0424 -14.3865 -14.3865 -14.1704 -14.1704 -13.4050 -13.4050 -13.3301 -13.3301 -11.3888 -11.3888 -11.2102 -11.2102 -10.7804 -10.7804 -8.4907 -8.4907 -8.4398 -8.4398 -7.1411 -7.1411 -5.8196 -5.8196 -5.3172 -5.3172 -5.1374 -5.1374 -3.4168 -3.4168 -3.3812 -3.3812 -2.8621 -2.8621 -2.6169 -2.6169 -2.5409 -2.5409 -2.4190 -2.4190 -2.1383 -2.1383 -2.0617 -2.0617 -2.0317 -2.0317 -1.9770 -1.9770 -1.8801 -1.8801 -1.8229 -1.8229 -1.7409 -1.7409 -1.7077 -1.7077 -1.6779 -1.6779 -0.9725 -0.9725 -0.9154 -0.9154 k = 0.2037 0.1176 0.3239 ( 13846 PWs) bands (ev): -18.3921 -18.3921 -16.6196 -16.6196 -16.5915 -16.5915 -15.0420 -15.0420 -14.3875 -14.3875 -14.1725 -14.1725 -13.4037 -13.4037 -13.3313 -13.3313 -11.3880 -11.3880 -11.2099 -11.2099 -10.7797 -10.7797 -8.4993 -8.4993 -8.4395 -8.4395 -7.1276 -7.1276 -5.8090 -5.8090 -5.3116 -5.3116 -5.1339 -5.1339 -3.4214 -3.4214 -3.3795 -3.3795 -2.8800 -2.8800 -2.6172 -2.6172 -2.5388 -2.5388 -2.4107 -2.4107 -2.1345 -2.1345 -2.0634 -2.0634 -2.0292 -2.0292 -1.9826 -1.9826 -1.8840 -1.8840 -1.8253 -1.8253 -1.7442 -1.7442 -1.7064 -1.7064 -1.6875 -1.6875 -0.9859 -0.9859 -0.9281 -0.9281 k = 0.2222 0.1283 0.3239 ( 13834 PWs) bands (ev): -18.3914 -18.3914 -16.6198 -16.6198 -16.5917 -16.5917 -15.0415 -15.0415 -14.3887 -14.3887 -14.1746 -14.1746 -13.4024 -13.4024 -13.3327 -13.3327 -11.3871 -11.3871 -11.2095 -11.2095 -10.7790 -10.7790 -8.5082 -8.5082 -8.4391 -8.4391 -7.1135 -7.1135 -5.7985 -5.7985 -5.3058 -5.3058 -5.1300 -5.1300 -3.4262 -3.4262 -3.3776 -3.3776 -2.8976 -2.8976 -2.6180 -2.6180 -2.5366 -2.5366 -2.4026 -2.4026 -2.1323 -2.1323 -2.0652 -2.0652 -2.0267 -2.0267 -1.9874 -1.9874 -1.8874 -1.8874 -1.8277 -1.8277 -1.7479 -1.7479 -1.7073 -1.7073 -1.6947 -1.6947 -1.0000 -1.0000 -0.9421 -0.9421 k = 0.2407 0.1390 0.3239 ( 13818 PWs) bands (ev): -18.3906 -18.3906 -16.6201 -16.6201 -16.5919 -16.5919 -15.0410 -15.0410 -14.3898 -14.3898 -14.1768 -14.1768 -13.4010 -13.4010 -13.3342 -13.3342 -11.3862 -11.3862 -11.2092 -11.2092 -10.7783 -10.7783 -8.5171 -8.5171 -8.4386 -8.4386 -7.0989 -7.0989 -5.7881 -5.7881 -5.2997 -5.2997 -5.1258 -5.1258 -3.4310 -3.4310 -3.3758 -3.3758 -2.9149 -2.9149 -2.6193 -2.6193 -2.5346 -2.5346 -2.3946 -2.3946 -2.1322 -2.1322 -2.0672 -2.0672 -2.0242 -2.0242 -1.9903 -1.9903 -1.8900 -1.8900 -1.8302 -1.8302 -1.7519 -1.7519 -1.7135 -1.7135 -1.6964 -1.6964 -1.0146 -1.0146 -0.9568 -0.9568 k = 0.2593 0.1497 0.3239 ( 13816 PWs) bands (ev): -18.3899 -18.3899 -16.6204 -16.6204 -16.5920 -16.5920 -15.0406 -15.0406 -14.3910 -14.3910 -14.1789 -14.1789 -13.3995 -13.3995 -13.3357 -13.3357 -11.3853 -11.3853 -11.2088 -11.2088 -10.7775 -10.7775 -8.5261 -8.5261 -8.4382 -8.4382 -7.0841 -7.0841 -5.7782 -5.7782 -5.2935 -5.2935 -5.1213 -5.1213 -3.4358 -3.4358 -3.3738 -3.3738 -2.9316 -2.9316 -2.6210 -2.6210 -2.5328 -2.5328 -2.3868 -2.3868 -2.1346 -2.1346 -2.0696 -2.0696 -2.0216 -2.0216 -1.9908 -1.9908 -1.8922 -1.8922 -1.8328 -1.8328 -1.7561 -1.7561 -1.7226 -1.7226 -1.6952 -1.6952 -1.0295 -1.0295 -0.9720 -0.9720 k = 0.2778 0.1604 0.3239 ( 13812 PWs) bands (ev): -18.3891 -18.3891 -16.6207 -16.6207 -16.5922 -16.5922 -15.0402 -15.0402 -14.3921 -14.3921 -14.1810 -14.1810 -13.3979 -13.3979 -13.3373 -13.3373 -11.3844 -11.3844 -11.2085 -11.2085 -10.7768 -10.7768 -8.5349 -8.5349 -8.4378 -8.4378 -7.0691 -7.0691 -5.7688 -5.7688 -5.2872 -5.2872 -5.1166 -5.1166 -3.4405 -3.4405 -3.3719 -3.3719 -2.9476 -2.9476 -2.6231 -2.6231 -2.5313 -2.5313 -2.3791 -2.3791 -2.1395 -2.1395 -2.0725 -2.0725 -2.0187 -2.0187 -1.9887 -1.9887 -1.8937 -1.8937 -1.8354 -1.8354 -1.7606 -1.7606 -1.7322 -1.7322 -1.6932 -1.6932 -1.0444 -1.0444 -0.9873 -0.9873 k = 0.2963 0.1711 0.3239 ( 13790 PWs) bands (ev): -18.3883 -18.3883 -16.6210 -16.6210 -16.5923 -16.5923 -15.0397 -15.0397 -14.3932 -14.3932 -14.1830 -14.1830 -13.3963 -13.3963 -13.3389 -13.3389 -11.3836 -11.3836 -11.2081 -11.2081 -10.7761 -10.7761 -8.5435 -8.5435 -8.4374 -8.4374 -7.0543 -7.0543 -5.7600 -5.7600 -5.2810 -5.2810 -5.1118 -5.1118 -3.4450 -3.4450 -3.3699 -3.3699 -2.9627 -2.9627 -2.6256 -2.6256 -2.5299 -2.5299 -2.3716 -2.3716 -2.1468 -2.1468 -2.0755 -2.0755 -2.0151 -2.0151 -1.9846 -1.9846 -1.8949 -1.8949 -1.8380 -1.8380 -1.7654 -1.7654 -1.7416 -1.7416 -1.6911 -1.6911 -1.0592 -1.0592 -1.0025 -1.0025 k = 0.3148 0.1818 0.3239 ( 13792 PWs) bands (ev): -18.3876 -18.3876 -16.6213 -16.6213 -16.5925 -16.5925 -15.0393 -15.0393 -14.3944 -14.3944 -14.1850 -14.1850 -13.3946 -13.3946 -13.3406 -13.3406 -11.3828 -11.3828 -11.2078 -11.2078 -10.7754 -10.7754 -8.5518 -8.5518 -8.4370 -8.4370 -7.0398 -7.0398 -5.7520 -5.7520 -5.2748 -5.2748 -5.1068 -5.1068 -3.4494 -3.4494 -3.3680 -3.3680 -2.9769 -2.9769 -2.6284 -2.6284 -2.5288 -2.5288 -2.3642 -2.3642 -2.1558 -2.1558 -2.0785 -2.0785 -2.0111 -2.0111 -1.9788 -1.9788 -1.8957 -1.8957 -1.8406 -1.8406 -1.7704 -1.7704 -1.7508 -1.7508 -1.6890 -1.6890 -1.0735 -1.0735 -1.0172 -1.0172 k = 0.3333 0.1925 0.3239 ( 13770 PWs) bands (ev): -18.3869 -18.3869 -16.6215 -16.6215 -16.5926 -16.5926 -15.0390 -15.0390 -14.3954 -14.3954 -14.1868 -14.1868 -13.3929 -13.3929 -13.3423 -13.3423 -11.3820 -11.3820 -11.2075 -11.2075 -10.7747 -10.7747 -8.5596 -8.5596 -8.4366 -8.4366 -7.0259 -7.0259 -5.7448 -5.7448 -5.2689 -5.2689 -5.1019 -5.1019 -3.4534 -3.4534 -3.3661 -3.3661 -2.9901 -2.9901 -2.6315 -2.6315 -2.5280 -2.5280 -2.3569 -2.3569 -2.1660 -2.1660 -2.0813 -2.0813 -2.0068 -2.0068 -1.9718 -1.9718 -1.8961 -1.8961 -1.8431 -1.8431 -1.7759 -1.7759 -1.7594 -1.7594 -1.6870 -1.6870 -1.0873 -1.0873 -1.0314 -1.0314 k = 0.3519 0.2031 0.3239 ( 13784 PWs) bands (ev): -18.3863 -18.3863 -16.6218 -16.6218 -16.5927 -16.5927 -15.0386 -15.0386 -14.3964 -14.3964 -14.1885 -14.1885 -13.3912 -13.3912 -13.3440 -13.3440 -11.3813 -11.3813 -11.2072 -11.2072 -10.7741 -10.7741 -8.5668 -8.5668 -8.4362 -8.4362 -7.0127 -7.0127 -5.7384 -5.7384 -5.2632 -5.2632 -5.0970 -5.0970 -3.4572 -3.4572 -3.3644 -3.3644 -3.0021 -3.0021 -2.6348 -2.6348 -2.5274 -2.5274 -2.3498 -2.3498 -2.1768 -2.1768 -2.0838 -2.0838 -2.0025 -2.0025 -1.9639 -1.9639 -1.8963 -1.8963 -1.8456 -1.8456 -1.7820 -1.7820 -1.7671 -1.7671 -1.6851 -1.6851 -1.1002 -1.1002 -1.0447 -1.0447 k = 0.3704 0.2138 0.3239 ( 13788 PWs) bands (ev): -18.3857 -18.3857 -16.6221 -16.6221 -16.5928 -16.5928 -15.0383 -15.0383 -14.3973 -14.3973 -14.1900 -14.1900 -13.3896 -13.3896 -13.3457 -13.3457 -11.3806 -11.3806 -11.2069 -11.2069 -10.7736 -10.7736 -8.5734 -8.5734 -8.4359 -8.4359 -7.0005 -7.0005 -5.7329 -5.7329 -5.2579 -5.2579 -5.0924 -5.0924 -3.4607 -3.4607 -3.3628 -3.3628 -3.0128 -3.0128 -2.6382 -2.6382 -2.5269 -2.5269 -2.3429 -2.3429 -2.1875 -2.1875 -2.0861 -2.0861 -1.9984 -1.9984 -1.9555 -1.9555 -1.8963 -1.8963 -1.8479 -1.8479 -1.7888 -1.7888 -1.7738 -1.7738 -1.6834 -1.6834 -1.1121 -1.1121 -1.0570 -1.0570 k = 0.3889 0.2245 0.3239 ( 13786 PWs) bands (ev): -18.3851 -18.3851 -16.6223 -16.6223 -16.5929 -16.5929 -15.0380 -15.0380 -14.3982 -14.3982 -14.1914 -14.1914 -13.3880 -13.3880 -13.3473 -13.3473 -11.3800 -11.3800 -11.2067 -11.2067 -10.7731 -10.7731 -8.5793 -8.5793 -8.4355 -8.4355 -6.9895 -6.9895 -5.7283 -5.7283 -5.2532 -5.2532 -5.0882 -5.0882 -3.4637 -3.4637 -3.3613 -3.3613 -3.0223 -3.0223 -2.6414 -2.6414 -2.5267 -2.5267 -2.3363 -2.3363 -2.1979 -2.1979 -2.0880 -2.0880 -1.9945 -1.9945 -1.9469 -1.9469 -1.8963 -1.8963 -1.8499 -1.8499 -1.7962 -1.7962 -1.7792 -1.7792 -1.6818 -1.6818 -1.1228 -1.1228 -1.0680 -1.0680 k = 0.4074 0.2352 0.3239 ( 13790 PWs) bands (ev): -18.3847 -18.3847 -16.6225 -16.6225 -16.5930 -16.5930 -15.0378 -15.0378 -14.3989 -14.3989 -14.1926 -14.1926 -13.3865 -13.3865 -13.3488 -13.3488 -11.3795 -11.3795 -11.2064 -11.2064 -10.7726 -10.7726 -8.5843 -8.5843 -8.4353 -8.4353 -6.9798 -6.9798 -5.7244 -5.7244 -5.2490 -5.2490 -5.0843 -5.0843 -3.4663 -3.4663 -3.3600 -3.3600 -3.0304 -3.0304 -2.6445 -2.6445 -2.5265 -2.5265 -2.3300 -2.3300 -2.2076 -2.2076 -2.0896 -2.0896 -1.9909 -1.9909 -1.9384 -1.9384 -1.8961 -1.8961 -1.8517 -1.8517 -1.8040 -1.8040 -1.7837 -1.7837 -1.6805 -1.6805 -1.1322 -1.1322 -1.0777 -1.0777 k = 0.4259 0.2459 0.3239 ( 13786 PWs) bands (ev): -18.3843 -18.3843 -16.6227 -16.6227 -16.5930 -16.5930 -15.0376 -15.0376 -14.3995 -14.3995 -14.1936 -14.1936 -13.3851 -13.3851 -13.3502 -13.3502 -11.3791 -11.3791 -11.2063 -11.2063 -10.7723 -10.7723 -8.5886 -8.5886 -8.4350 -8.4350 -6.9716 -6.9716 -5.7213 -5.7213 -5.2454 -5.2454 -5.0810 -5.0810 -3.4685 -3.4685 -3.3589 -3.3589 -3.0371 -3.0371 -2.6473 -2.6473 -2.5265 -2.5265 -2.3242 -2.3242 -2.2163 -2.2163 -2.0910 -2.0910 -1.9879 -1.9879 -1.9302 -1.9302 -1.8960 -1.8960 -1.8531 -1.8531 -1.8116 -1.8116 -1.7873 -1.7873 -1.6793 -1.6793 -1.1401 -1.1401 -1.0858 -1.0858 k = 0.4444 0.2566 0.3239 ( 13786 PWs) bands (ev): -18.3840 -18.3840 -16.6228 -16.6228 -16.5931 -16.5931 -15.0375 -15.0375 -14.4000 -14.4000 -14.1944 -14.1944 -13.3839 -13.3839 -13.3514 -13.3514 -11.3788 -11.3788 -11.2061 -11.2061 -10.7720 -10.7720 -8.5919 -8.5919 -8.4349 -8.4349 -6.9651 -6.9651 -5.7190 -5.7190 -5.2426 -5.2426 -5.0784 -5.0784 -3.4703 -3.4703 -3.3581 -3.3581 -3.0424 -3.0424 -2.6496 -2.6496 -2.5264 -2.5264 -2.3192 -2.3192 -2.2236 -2.2236 -2.0920 -2.0920 -1.9854 -1.9854 -1.9228 -1.9228 -1.8961 -1.8961 -1.8539 -1.8539 -1.8186 -1.8186 -1.7902 -1.7902 -1.6784 -1.6784 -1.1463 -1.1463 -1.0922 -1.0922 k = 0.4630 0.2673 0.3239 ( 13798 PWs) bands (ev): -18.3838 -18.3838 -16.6229 -16.6229 -16.5931 -16.5931 -15.0374 -15.0374 -14.4003 -14.4003 -14.1949 -14.1949 -13.3830 -13.3830 -13.3523 -13.3523 -11.3785 -11.3785 -11.2060 -11.2060 -10.7718 -10.7718 -8.5944 -8.5944 -8.4347 -8.4347 -6.9604 -6.9604 -5.7173 -5.7173 -5.2405 -5.2405 -5.0764 -5.0764 -3.4715 -3.4715 -3.3575 -3.3575 -3.0461 -3.0461 -2.6513 -2.6513 -2.5265 -2.5265 -2.3152 -2.3152 -2.2293 -2.2293 -2.0928 -2.0928 -1.9836 -1.9836 -1.9166 -1.9166 -1.8964 -1.8964 -1.8543 -1.8543 -1.8246 -1.8246 -1.7922 -1.7922 -1.6778 -1.6778 -1.1509 -1.1509 -1.0968 -1.0968 k = 0.4815 0.2780 0.3239 ( 13784 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4005 -14.4005 -14.1953 -14.1953 -13.3825 -13.3825 -13.3529 -13.3529 -11.3784 -11.3784 -11.2060 -11.2060 -10.7717 -10.7717 -8.5958 -8.5958 -8.4346 -8.4346 -6.9575 -6.9575 -5.7164 -5.7164 -5.2393 -5.2393 -5.0752 -5.0752 -3.4723 -3.4723 -3.3571 -3.3571 -3.0484 -3.0484 -2.6524 -2.6524 -2.5265 -2.5265 -2.3125 -2.3125 -2.2330 -2.2330 -2.0932 -2.0932 -1.9824 -1.9824 -1.9122 -1.9122 -1.8969 -1.8969 -1.8542 -1.8542 -1.8288 -1.8288 -1.7935 -1.7935 -1.6774 -1.6774 -1.1536 -1.1536 -1.0997 -1.0996 k = 0.5000 0.2887 0.3239 ( 13764 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2388 -5.2388 -5.0748 -5.0748 -3.4725 -3.4725 -3.3570 -3.3570 -3.0492 -3.0492 -2.6528 -2.6528 -2.5265 -2.5265 -2.3116 -2.3116 -2.2342 -2.2342 -2.0934 -2.0934 -1.9820 -1.9820 -1.9106 -1.9106 -1.8971 -1.8971 -1.8541 -1.8541 -1.8303 -1.8303 -1.7938 -1.7938 -1.6773 -1.6773 -1.1546 -1.1546 -1.1006 -1.1006 k = 0.5000 0.2887 0.3239 ( 13764 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2388 -5.2388 -5.0748 -5.0748 -3.4725 -3.4725 -3.3570 -3.3570 -3.0492 -3.0492 -2.6528 -2.6528 -2.5265 -2.5265 -2.3116 -2.3116 -2.2342 -2.2342 -2.0934 -2.0934 -1.9820 -1.9820 -1.9106 -1.9106 -1.8971 -1.8971 -1.8541 -1.8541 -1.8303 -1.8303 -1.7938 -1.7938 -1.6773 -1.6773 -1.1546 -1.1546 -1.1006 -1.1006 k = 0.4896 0.3067 0.3239 ( 13776 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5960 -8.5960 -8.4351 -8.4351 -6.9563 -6.9563 -5.7156 -5.7156 -5.2386 -5.2386 -5.0750 -5.0750 -3.4723 -3.4723 -3.3573 -3.3573 -3.0492 -3.0492 -2.6531 -2.6531 -2.5260 -2.5260 -2.3121 -2.3121 -2.2338 -2.2338 -2.0934 -2.0934 -1.9817 -1.9817 -1.9118 -1.9118 -1.8965 -1.8965 -1.8546 -1.8546 -1.8301 -1.8301 -1.7944 -1.7944 -1.6770 -1.6770 -1.1541 -1.1541 -1.1004 -1.1004 k = 0.4792 0.3248 0.3239 ( 13780 PWs) bands (ev): -18.3835 -18.3835 -16.6229 -16.6229 -16.5932 -16.5932 -15.0372 -15.0372 -14.4006 -14.4006 -14.1957 -14.1957 -13.3820 -13.3820 -13.3533 -13.3533 -11.3782 -11.3782 -11.2059 -11.2059 -10.7716 -10.7716 -8.5949 -8.5949 -8.4367 -8.4367 -6.9556 -6.9556 -5.7143 -5.7143 -5.2379 -5.2379 -5.0757 -5.0757 -3.4715 -3.4715 -3.3582 -3.3582 -3.0494 -3.0494 -2.6541 -2.6541 -2.5245 -2.5245 -2.3135 -2.3135 -2.2325 -2.2325 -2.0934 -2.0934 -1.9806 -1.9806 -1.9150 -1.9150 -1.8952 -1.8952 -1.8557 -1.8557 -1.8294 -1.8294 -1.7961 -1.7961 -1.6763 -1.6763 -1.1529 -1.1529 -1.1000 -1.1000 k = 0.4688 0.3428 0.3239 ( 13800 PWs) bands (ev): -18.3835 -18.3835 -16.6229 -16.6229 -16.5933 -16.5933 -15.0372 -15.0372 -14.4005 -14.4005 -14.1960 -14.1960 -13.3817 -13.3817 -13.3536 -13.3536 -11.3781 -11.3781 -11.2059 -11.2059 -10.7715 -10.7715 -8.5932 -8.5932 -8.4394 -8.4394 -6.9545 -6.9545 -5.7122 -5.7122 -5.2367 -5.2367 -5.0769 -5.0769 -3.4703 -3.4703 -3.3598 -3.3598 -3.0498 -3.0498 -2.6557 -2.6557 -2.5221 -2.5221 -2.3157 -2.3157 -2.2306 -2.2306 -2.0936 -2.0936 -1.9788 -1.9788 -1.9195 -1.9195 -1.8936 -1.8936 -1.8574 -1.8574 -1.8287 -1.8287 -1.7987 -1.7987 -1.6751 -1.6751 -1.1507 -1.1507 -1.0991 -1.0991 k = 0.4583 0.3608 0.3239 ( 13792 PWs) bands (ev): -18.3834 -18.3834 -16.6229 -16.6229 -16.5933 -16.5933 -15.0371 -15.0371 -14.4005 -14.4005 -14.1965 -14.1965 -13.3813 -13.3813 -13.3541 -13.3541 -11.3780 -11.3780 -11.2058 -11.2058 -10.7714 -10.7714 -8.5907 -8.5907 -8.4430 -8.4430 -6.9530 -6.9530 -5.7095 -5.7095 -5.2350 -5.2350 -5.0785 -5.0785 -3.4686 -3.4686 -3.3620 -3.3620 -3.0502 -3.0502 -2.6578 -2.6578 -2.5190 -2.5190 -2.3186 -2.3186 -2.2281 -2.2281 -2.0936 -2.0936 -1.9765 -1.9765 -1.9250 -1.9250 -1.8920 -1.8920 -1.8593 -1.8593 -1.8280 -1.8280 -1.8022 -1.8022 -1.6736 -1.6736 -1.1478 -1.1478 -1.0980 -1.0980 k = 0.4479 0.3789 0.3239 ( 13812 PWs) bands (ev): -18.3832 -18.3832 -16.6228 -16.6228 -16.5935 -16.5935 -15.0370 -15.0370 -14.4004 -14.4004 -14.1971 -14.1971 -13.3807 -13.3807 -13.3546 -13.3546 -11.3778 -11.3778 -11.2058 -11.2058 -10.7713 -10.7713 -8.5877 -8.5877 -8.4475 -8.4475 -6.9512 -6.9512 -5.7061 -5.7061 -5.2329 -5.2329 -5.0805 -5.0805 -3.4665 -3.4665 -3.3647 -3.3647 -3.0508 -3.0508 -2.6603 -2.6603 -2.5153 -2.5153 -2.3218 -2.3218 -2.2254 -2.2254 -2.0936 -2.0936 -1.9739 -1.9739 -1.9310 -1.9310 -1.8904 -1.8904 -1.8612 -1.8612 -1.8278 -1.8278 -1.8062 -1.8062 -1.6719 -1.6719 -1.1442 -1.1442 -1.0964 -1.0964 k = 0.4375 0.3969 0.3239 ( 13808 PWs) bands (ev): -18.3831 -18.3831 -16.6228 -16.6228 -16.5936 -16.5936 -15.0369 -15.0369 -14.4004 -14.4004 -14.1977 -14.1977 -13.3801 -13.3801 -13.3553 -13.3553 -11.3777 -11.3777 -11.2057 -11.2057 -10.7712 -10.7712 -8.5840 -8.5840 -8.4528 -8.4528 -6.9490 -6.9490 -5.7022 -5.7022 -5.2303 -5.2303 -5.0829 -5.0829 -3.4638 -3.4638 -3.3679 -3.3679 -3.0514 -3.0514 -2.6630 -2.6630 -2.5113 -2.5113 -2.3253 -2.3253 -2.2226 -2.2226 -2.0935 -2.0935 -1.9714 -1.9714 -1.9370 -1.9370 -1.8889 -1.8889 -1.8630 -1.8630 -1.8283 -1.8283 -1.8106 -1.8106 -1.6700 -1.6700 -1.1400 -1.1400 -1.0944 -1.0944 k = 0.4271 0.4150 0.3239 ( 13796 PWs) bands (ev): -18.3830 -18.3830 -16.6227 -16.6227 -16.5938 -16.5938 -15.0368 -15.0368 -14.4003 -14.4003 -14.1985 -14.1985 -13.3793 -13.3793 -13.3561 -13.3561 -11.3775 -11.3775 -11.2057 -11.2057 -10.7710 -10.7710 -8.5798 -8.5798 -8.4589 -8.4589 -6.9466 -6.9466 -5.6981 -5.6981 -5.2273 -5.2273 -5.0856 -5.0856 -3.4608 -3.4608 -3.3717 -3.3717 -3.0522 -3.0522 -2.6658 -2.6658 -2.5071 -2.5071 -2.3288 -2.3288 -2.2200 -2.2200 -2.0931 -2.0931 -1.9699 -1.9699 -1.9418 -1.9418 -1.8874 -1.8874 -1.8646 -1.8646 -1.8299 -1.8299 -1.8146 -1.8146 -1.6680 -1.6680 -1.1352 -1.1352 -1.0919 -1.0919 k = 0.4167 0.4330 0.3239 ( 13800 PWs) bands (ev): -18.3828 -18.3828 -16.6227 -16.6227 -16.5939 -16.5939 -15.0367 -15.0367 -14.4003 -14.4003 -14.1992 -14.1992 -13.3784 -13.3784 -13.3570 -13.3570 -11.3772 -11.3772 -11.2056 -11.2056 -10.7709 -10.7709 -8.5751 -8.5751 -8.4655 -8.4655 -6.9440 -6.9440 -5.6939 -5.6939 -5.2240 -5.2240 -5.0886 -5.0886 -3.4574 -3.4574 -3.3759 -3.3759 -3.0530 -3.0530 -2.6687 -2.6687 -2.5028 -2.5028 -2.3323 -2.3323 -2.2176 -2.2176 -2.0925 -2.0925 -1.9710 -1.9710 -1.9437 -1.9437 -1.8860 -1.8860 -1.8662 -1.8662 -1.8331 -1.8331 -1.8178 -1.8178 -1.6661 -1.6661 -1.1301 -1.1301 -1.0889 -1.0889 k = 0.4062 0.4511 0.3239 ( 13806 PWs) bands (ev): -18.3826 -18.3826 -16.6226 -16.6226 -16.5941 -16.5941 -15.0366 -15.0366 -14.4002 -14.4002 -14.2000 -14.2000 -13.3774 -13.3774 -13.3580 -13.3580 -11.3770 -11.3770 -11.2055 -11.2055 -10.7708 -10.7708 -8.5699 -8.5699 -8.4727 -8.4727 -6.9413 -6.9413 -5.6896 -5.6896 -5.2204 -5.2204 -5.0917 -5.0917 -3.4536 -3.4536 -3.3804 -3.3804 -3.0539 -3.0539 -2.6715 -2.6715 -2.4988 -2.4988 -2.3355 -2.3355 -2.2156 -2.2156 -2.0916 -2.0916 -1.9751 -1.9751 -1.9420 -1.9420 -1.8846 -1.8846 -1.8677 -1.8677 -1.8379 -1.8379 -1.8200 -1.8200 -1.6642 -1.6642 -1.1247 -1.1247 -1.0852 -1.0852 k = 0.3958 0.4691 0.3239 ( 13790 PWs) bands (ev): -18.3825 -18.3825 -16.6226 -16.6226 -16.5942 -16.5942 -15.0365 -15.0365 -14.4002 -14.4002 -14.2007 -14.2007 -13.3763 -13.3763 -13.3591 -13.3591 -11.3768 -11.3768 -11.2054 -11.2054 -10.7706 -10.7706 -8.5644 -8.5644 -8.4802 -8.4802 -6.9386 -6.9386 -5.6856 -5.6856 -5.2165 -5.2165 -5.0948 -5.0948 -3.4495 -3.4495 -3.3852 -3.3852 -3.0548 -3.0548 -2.6741 -2.6741 -2.4951 -2.4951 -2.3384 -2.3384 -2.2141 -2.2141 -2.0906 -2.0906 -1.9808 -1.9808 -1.9378 -1.9378 -1.8833 -1.8833 -1.8693 -1.8693 -1.8436 -1.8436 -1.8216 -1.8216 -1.6625 -1.6625 -1.1193 -1.1193 -1.0807 -1.0807 k = 0.3854 0.4871 0.3239 ( 13796 PWs) bands (ev): -18.3823 -18.3823 -16.6226 -16.6226 -16.5943 -16.5943 -15.0364 -15.0364 -14.4002 -14.4002 -14.2014 -14.2014 -13.3750 -13.3750 -13.3603 -13.3603 -11.3766 -11.3766 -11.2054 -11.2054 -10.7705 -10.7705 -8.5584 -8.5584 -8.4879 -8.4879 -6.9361 -6.9361 -5.6820 -5.6820 -5.2127 -5.2127 -5.0979 -5.0979 -3.4451 -3.4451 -3.3902 -3.3902 -3.0557 -3.0557 -2.6765 -2.6765 -2.4918 -2.4918 -2.3408 -2.3408 -2.2130 -2.2130 -2.0894 -2.0894 -1.9867 -1.9867 -1.9324 -1.9324 -1.8821 -1.8821 -1.8711 -1.8711 -1.8495 -1.8495 -1.8230 -1.8230 -1.6610 -1.6610 -1.1140 -1.1140 -1.0755 -1.0755 k = 0.3750 0.5052 0.3239 ( 13784 PWs) bands (ev): -18.3822 -18.3822 -16.6225 -16.6225 -16.5945 -16.5945 -15.0363 -15.0363 -14.4002 -14.4002 -14.2020 -14.2020 -13.3737 -13.3737 -13.3616 -13.3616 -11.3764 -11.3764 -11.2053 -11.2053 -10.7703 -10.7703 -8.5523 -8.5523 -8.4957 -8.4957 -6.9337 -6.9337 -5.6788 -5.6788 -5.2090 -5.2090 -5.1007 -5.1007 -3.4405 -3.4405 -3.3954 -3.3954 -3.0565 -3.0565 -2.6786 -2.6786 -2.4890 -2.4890 -2.3428 -2.3428 -2.2124 -2.2124 -2.0881 -2.0881 -1.9920 -1.9920 -1.9261 -1.9261 -1.8812 -1.8812 -1.8734 -1.8734 -1.8549 -1.8549 -1.8243 -1.8243 -1.6597 -1.6597 -1.1089 -1.1089 -1.0695 -1.0695 k = 0.3646 0.5232 0.3239 ( 13782 PWs) bands (ev): -18.3821 -18.3821 -16.6225 -16.6225 -16.5946 -16.5946 -15.0362 -15.0362 -14.4002 -14.4002 -14.2025 -14.2025 -13.3723 -13.3723 -13.3630 -13.3630 -11.3763 -11.3763 -11.2053 -11.2053 -10.7702 -10.7702 -8.5459 -8.5459 -8.5034 -8.5034 -6.9316 -6.9316 -5.6763 -5.6763 -5.2058 -5.2058 -5.1032 -5.1032 -3.4360 -3.4360 -3.4005 -3.4005 -3.0573 -3.0573 -2.6803 -2.6803 -2.4869 -2.4869 -2.3443 -2.3443 -2.2121 -2.2121 -2.0870 -2.0870 -1.9964 -1.9964 -1.9194 -1.9194 -1.8814 -1.8814 -1.8762 -1.8762 -1.8590 -1.8590 -1.8254 -1.8254 -1.6587 -1.6587 -1.1043 -1.1043 -1.0628 -1.0628 k = 0.3542 0.5413 0.3239 ( 13790 PWs) bands (ev): -18.3820 -18.3820 -16.6225 -16.6225 -16.5946 -16.5946 -15.0362 -15.0362 -14.4002 -14.4002 -14.2029 -14.2029 -13.3709 -13.3709 -13.3645 -13.3645 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5395 -8.5395 -8.5109 -8.5109 -6.9300 -6.9300 -5.6744 -5.6744 -5.2032 -5.2032 -5.1051 -5.1051 -3.4316 -3.4316 -3.4052 -3.4052 -3.0580 -3.0580 -2.6816 -2.6816 -2.4855 -2.4855 -2.3452 -2.3452 -2.2121 -2.2121 -2.0862 -2.0862 -1.9995 -1.9995 -1.9124 -1.9124 -1.8848 -1.8848 -1.8773 -1.8773 -1.8616 -1.8616 -1.8264 -1.8264 -1.6579 -1.6579 -1.1003 -1.1003 -1.0558 -1.0558 k = 0.3438 0.5593 0.3239 ( 13790 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2032 -14.2032 -13.3693 -13.3693 -13.3661 -13.3661 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5332 -8.5332 -8.5178 -8.5178 -6.9290 -6.9290 -5.6732 -5.6732 -5.2015 -5.2015 -5.1063 -5.1063 -3.4279 -3.4279 -3.4091 -3.4091 -3.0584 -3.0584 -2.6824 -2.6824 -2.4846 -2.4846 -2.3457 -2.3457 -2.2122 -2.2122 -2.0857 -2.0857 -2.0013 -2.0013 -1.9052 -1.9052 -1.8909 -1.8909 -1.8773 -1.8773 -1.8629 -1.8629 -1.8271 -1.8271 -1.6575 -1.6575 -1.0974 -1.0974 -1.0493 -1.0493 k = 0.3333 0.5774 0.3239 ( 13788 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4108 -3.4108 -3.0586 -3.0586 -2.6827 -2.6827 -2.4843 -2.4843 -2.3459 -2.3459 -2.2123 -2.2123 -2.0855 -2.0855 -2.0019 -2.0019 -1.8988 -1.8988 -1.8969 -1.8969 -1.8772 -1.8772 -1.8632 -1.8632 -1.8274 -1.8274 -1.6573 -1.6573 -1.0962 -1.0962 -1.0461 -1.0461 k = 0.3333 0.5774 0.3239 ( 13788 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4108 -3.4108 -3.0586 -3.0586 -2.6827 -2.6827 -2.4843 -2.4843 -2.3459 -2.3459 -2.2123 -2.2123 -2.0855 -2.0855 -2.0019 -2.0019 -1.8988 -1.8988 -1.8969 -1.8969 -1.8772 -1.8772 -1.8632 -1.8632 -1.8274 -1.8274 -1.6573 -1.6573 -1.0962 -1.0962 -1.0461 -1.0461 k = 0.3226 0.5587 0.3239 ( 13790 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2032 -14.2032 -13.3694 -13.3694 -13.3660 -13.3660 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5332 -8.5332 -8.5178 -8.5178 -6.9290 -6.9290 -5.6733 -5.6733 -5.2015 -5.2015 -5.1063 -5.1063 -3.4279 -3.4279 -3.4091 -3.4091 -3.0584 -3.0584 -2.6824 -2.6824 -2.4846 -2.4846 -2.3458 -2.3458 -2.2121 -2.2121 -2.0856 -2.0856 -2.0014 -2.0014 -1.9054 -1.9054 -1.8906 -1.8906 -1.8773 -1.8773 -1.8629 -1.8629 -1.8270 -1.8270 -1.6575 -1.6575 -1.0978 -1.0978 -1.0479 -1.0479 k = 0.3118 0.5401 0.3239 ( 13786 PWs) bands (ev): -18.3820 -18.3820 -16.6225 -16.6225 -16.5946 -16.5946 -15.0362 -15.0362 -14.4002 -14.4002 -14.2029 -14.2029 -13.3712 -13.3712 -13.3642 -13.3642 -11.3762 -11.3762 -11.2052 -11.2052 -10.7702 -10.7702 -8.5387 -8.5387 -8.5114 -8.5114 -6.9304 -6.9304 -5.6745 -5.6745 -5.2034 -5.2034 -5.1052 -5.1052 -3.4313 -3.4313 -3.4054 -3.4054 -3.0577 -3.0577 -2.6814 -2.6814 -2.4853 -2.4853 -2.3456 -2.3456 -2.2116 -2.2116 -2.0860 -2.0860 -2.0001 -2.0001 -1.9130 -1.9130 -1.8847 -1.8847 -1.8768 -1.8768 -1.8617 -1.8617 -1.8259 -1.8259 -1.6580 -1.6580 -1.1025 -1.1025 -1.0486 -1.0486 k = 0.3011 0.5215 0.3239 ( 13778 PWs) bands (ev): -18.3821 -18.3821 -16.6225 -16.6225 -16.5945 -16.5945 -15.0363 -15.0363 -14.4001 -14.4001 -14.2024 -14.2024 -13.3731 -13.3731 -13.3623 -13.3623 -11.3763 -11.3763 -11.2053 -11.2053 -10.7703 -10.7703 -8.5438 -8.5438 -8.5049 -8.5049 -6.9329 -6.9329 -5.6765 -5.6765 -5.2065 -5.2065 -5.1037 -5.1037 -3.4352 -3.4352 -3.4011 -3.4011 -3.0564 -3.0564 -2.6799 -2.6799 -2.4864 -2.4864 -2.3454 -2.3454 -2.2105 -2.2105 -2.0864 -2.0864 -1.9986 -1.9986 -1.9204 -1.9204 -1.8827 -1.8827 -1.8739 -1.8739 -1.8592 -1.8592 -1.8239 -1.8239 -1.6588 -1.6588 -1.1092 -1.1092 -1.0463 -1.0463 k = 0.2903 0.5029 0.3239 ( 13762 PWs) bands (ev): -18.3823 -18.3823 -16.6225 -16.6225 -16.5944 -16.5944 -15.0364 -15.0364 -14.3999 -14.3999 -14.2017 -14.2017 -13.3750 -13.3750 -13.3604 -13.3604 -11.3765 -11.3765 -11.2054 -11.2054 -10.7705 -10.7705 -8.5481 -8.5481 -8.4985 -8.4985 -6.9365 -6.9365 -5.6793 -5.6793 -5.2106 -5.2106 -5.1019 -5.1019 -3.4388 -3.4388 -3.3968 -3.3968 -3.0544 -3.0544 -2.6776 -2.6776 -2.4878 -2.4878 -2.3454 -2.3454 -2.2086 -2.2086 -2.0867 -2.0867 -1.9971 -1.9971 -1.9275 -1.9275 -1.8836 -1.8836 -1.8698 -1.8698 -1.8549 -1.8549 -1.8211 -1.8211 -1.6599 -1.6599 -1.1161 -1.1161 -1.0419 -1.0419 k = 0.2796 0.4842 0.3239 ( 13762 PWs) bands (ev): -18.3826 -18.3826 -16.6224 -16.6224 -16.5943 -16.5943 -15.0365 -15.0365 -14.3998 -14.3998 -14.2009 -14.2009 -13.3769 -13.3769 -13.3585 -13.3585 -11.3768 -11.3768 -11.2055 -11.2055 -10.7707 -10.7707 -8.5516 -8.5516 -8.4924 -8.4924 -6.9414 -6.9414 -5.6829 -5.6829 -5.2154 -5.2154 -5.1003 -5.1003 -3.4421 -3.4421 -3.3927 -3.3927 -3.0516 -3.0516 -2.6749 -2.6749 -2.4895 -2.4895 -2.3457 -2.3457 -2.2059 -2.2059 -2.0869 -2.0869 -1.9961 -1.9961 -1.9343 -1.9343 -1.8855 -1.8855 -1.8666 -1.8666 -1.8488 -1.8488 -1.8173 -1.8173 -1.6613 -1.6613 -1.1222 -1.1222 -1.0360 -1.0360 k = 0.2688 0.4656 0.3239 ( 13774 PWs) bands (ev): -18.3829 -18.3829 -16.6224 -16.6224 -16.5942 -16.5942 -15.0367 -15.0367 -14.3995 -14.3995 -14.1998 -14.1998 -13.3788 -13.3788 -13.3565 -13.3565 -11.3772 -11.3772 -11.2056 -11.2056 -10.7710 -10.7710 -8.5541 -8.5541 -8.4865 -8.4865 -6.9475 -6.9475 -5.6871 -5.6871 -5.2209 -5.2209 -5.0989 -5.0989 -3.4448 -3.4448 -3.3889 -3.3889 -3.0479 -3.0479 -2.6715 -2.6715 -2.4914 -2.4914 -2.3465 -2.3465 -2.2022 -2.2022 -2.0869 -2.0869 -1.9960 -1.9960 -1.9407 -1.9407 -1.8877 -1.8877 -1.8640 -1.8640 -1.8415 -1.8415 -1.8127 -1.8127 -1.6630 -1.6630 -1.1268 -1.1268 -1.0291 -1.0291 k = 0.2581 0.4470 0.3239 ( 13780 PWs) bands (ev): -18.3833 -18.3833 -16.6223 -16.6223 -16.5940 -16.5940 -15.0369 -15.0369 -14.3991 -14.3991 -14.1986 -14.1986 -13.3808 -13.3808 -13.3545 -13.3545 -11.3776 -11.3776 -11.2058 -11.2058 -10.7713 -10.7713 -8.5557 -8.5557 -8.4809 -8.4809 -6.9548 -6.9548 -5.6921 -5.6921 -5.2268 -5.2268 -5.0981 -5.0981 -3.4469 -3.4469 -3.3856 -3.3856 -3.0431 -3.0431 -2.6677 -2.6677 -2.4935 -2.4935 -2.3478 -2.3478 -2.1974 -2.1974 -2.0866 -2.0866 -1.9968 -1.9968 -1.9467 -1.9467 -1.8900 -1.8900 -1.8616 -1.8616 -1.8336 -1.8336 -1.8074 -1.8074 -1.6649 -1.6649 -1.1293 -1.1293 -1.0215 -1.0215 k = 0.2473 0.4284 0.3239 ( 13774 PWs) bands (ev): -18.3837 -18.3837 -16.6222 -16.6222 -16.5939 -16.5939 -15.0371 -15.0371 -14.3987 -14.3987 -14.1972 -14.1972 -13.3828 -13.3828 -13.3526 -13.3526 -11.3782 -11.3782 -11.2060 -11.2060 -10.7717 -10.7717 -8.5562 -8.5562 -8.4757 -8.4757 -6.9635 -6.9635 -5.6977 -5.6977 -5.2330 -5.2330 -5.0979 -5.0979 -3.4483 -3.4483 -3.3827 -3.3827 -3.0373 -3.0373 -2.6636 -2.6636 -2.4957 -2.4957 -2.3496 -2.3496 -2.1916 -2.1916 -2.0860 -2.0860 -1.9985 -1.9985 -1.9524 -1.9524 -1.8922 -1.8922 -1.8591 -1.8591 -1.8255 -1.8255 -1.8013 -1.8013 -1.6671 -1.6671 -1.1297 -1.1297 -1.0133 -1.0133 k = 0.2366 0.4097 0.3239 ( 13794 PWs) bands (ev): -18.3842 -18.3842 -16.6221 -16.6221 -16.5937 -16.5937 -15.0374 -15.0374 -14.3982 -14.3982 -14.1957 -14.1957 -13.3847 -13.3847 -13.3506 -13.3506 -11.3787 -11.3787 -11.2062 -11.2062 -10.7722 -10.7722 -8.5557 -8.5557 -8.4708 -8.4708 -6.9733 -6.9733 -5.7039 -5.7039 -5.2395 -5.2395 -5.0984 -5.0984 -3.4491 -3.4491 -3.3803 -3.3803 -3.0303 -3.0303 -2.6591 -2.6591 -2.4982 -2.4982 -2.3521 -2.3521 -2.1848 -2.1848 -2.0850 -2.0850 -2.0012 -2.0012 -1.9581 -1.9581 -1.8941 -1.8941 -1.8564 -1.8564 -1.8173 -1.8173 -1.7946 -1.7946 -1.6696 -1.6696 -1.1278 -1.1278 -1.0047 -1.0047 k = 0.2258 0.3911 0.3239 ( 13800 PWs) bands (ev): -18.3847 -18.3847 -16.6220 -16.6220 -16.5935 -16.5935 -15.0377 -15.0377 -14.3975 -14.3975 -14.1940 -14.1940 -13.3867 -13.3867 -13.3486 -13.3486 -11.3794 -11.3794 -11.2065 -11.2065 -10.7727 -10.7727 -8.5542 -8.5542 -8.4663 -8.4663 -6.9843 -6.9843 -5.7108 -5.7108 -5.2462 -5.2462 -5.0996 -5.0996 -3.4492 -3.4492 -3.3784 -3.3784 -3.0221 -3.0221 -2.6545 -2.6545 -2.5008 -2.5008 -2.3551 -2.3551 -2.1771 -2.1771 -2.0838 -2.0838 -2.0045 -2.0045 -1.9637 -1.9637 -1.8956 -1.8956 -1.8537 -1.8537 -1.8092 -1.8092 -1.7872 -1.7872 -1.6722 -1.6722 -1.1235 -1.1235 -0.9956 -0.9956 k = 0.2151 0.3725 0.3239 ( 13792 PWs) bands (ev): -18.3854 -18.3854 -16.6218 -16.6218 -16.5933 -16.5933 -15.0380 -15.0380 -14.3968 -14.3968 -14.1922 -14.1922 -13.3886 -13.3886 -13.3467 -13.3467 -11.3801 -11.3801 -11.2067 -11.2067 -10.7733 -10.7733 -8.5518 -8.5518 -8.4622 -8.4622 -6.9964 -6.9964 -5.7182 -5.7182 -5.2529 -5.2529 -5.1015 -5.1015 -3.4486 -3.4486 -3.3769 -3.3769 -3.0127 -3.0127 -2.6498 -2.6498 -2.5037 -2.5037 -2.3588 -2.3588 -2.1688 -2.1688 -2.0823 -2.0823 -2.0081 -2.0081 -1.9694 -1.9694 -1.8966 -1.8966 -1.8508 -1.8508 -1.8012 -1.8012 -1.7793 -1.7793 -1.6749 -1.6749 -1.1170 -1.1170 -0.9863 -0.9863 k = 0.2043 0.3539 0.3239 ( 13788 PWs) bands (ev): -18.3860 -18.3860 -16.6216 -16.6216 -16.5931 -16.5931 -15.0384 -15.0384 -14.3960 -14.3960 -14.1902 -14.1902 -13.3905 -13.3905 -13.3448 -13.3448 -11.3808 -11.3808 -11.2070 -11.2070 -10.7739 -10.7739 -8.5484 -8.5484 -8.4585 -8.4585 -7.0094 -7.0094 -5.7263 -5.7263 -5.2597 -5.2597 -5.1040 -5.1040 -3.4473 -3.4473 -3.3760 -3.3760 -3.0021 -3.0021 -2.6451 -2.6451 -2.5067 -2.5067 -2.3629 -2.3629 -2.1601 -2.1601 -2.0806 -2.0806 -2.0116 -2.0116 -1.9753 -1.9753 -1.8972 -1.8972 -1.8479 -1.8479 -1.7936 -1.7936 -1.7709 -1.7709 -1.6779 -1.6779 -1.1084 -1.1084 -0.9767 -0.9767 k = 0.1935 0.3352 0.3239 ( 13796 PWs) bands (ev): -18.3867 -18.3867 -16.6214 -16.6214 -16.5929 -16.5929 -15.0388 -15.0388 -14.3951 -14.3951 -14.1882 -14.1882 -13.3924 -13.3924 -13.3429 -13.3429 -11.3816 -11.3816 -11.2074 -11.2074 -10.7746 -10.7746 -8.5441 -8.5441 -8.4553 -8.4553 -7.0232 -7.0232 -5.7349 -5.7349 -5.2665 -5.2665 -5.1071 -5.1071 -3.4455 -3.4455 -3.3756 -3.3756 -2.9903 -2.9903 -2.6406 -2.6406 -2.5099 -2.5099 -2.3676 -2.3676 -2.1513 -2.1513 -2.0787 -2.0787 -2.0148 -2.0148 -1.9811 -1.9811 -1.8973 -1.8973 -1.8449 -1.8449 -1.7862 -1.7862 -1.7619 -1.7619 -1.6809 -1.6809 -1.0978 -1.0978 -0.9670 -0.9670 k = 0.1828 0.3166 0.3239 ( 13804 PWs) bands (ev): -18.3874 -18.3874 -16.6211 -16.6211 -16.5927 -16.5927 -15.0392 -15.0392 -14.3941 -14.3941 -14.1861 -14.1861 -13.3942 -13.3942 -13.3410 -13.3410 -11.3825 -11.3825 -11.2077 -11.2077 -10.7752 -10.7752 -8.5390 -8.5390 -8.4524 -8.4524 -7.0375 -7.0375 -5.7441 -5.7441 -5.2733 -5.2733 -5.1106 -5.1106 -3.4430 -3.4430 -3.3755 -3.3755 -2.9774 -2.9774 -2.6363 -2.6363 -2.5132 -2.5132 -2.3727 -2.3727 -2.1432 -2.1432 -2.0768 -2.0768 -2.0172 -2.0172 -1.9868 -1.9868 -1.8970 -1.8970 -1.8420 -1.8420 -1.7793 -1.7793 -1.7525 -1.7525 -1.6840 -1.6840 -1.0855 -1.0855 -0.9571 -0.9571 k = 0.1720 0.2980 0.3239 ( 13812 PWs) bands (ev): -18.3882 -18.3882 -16.6209 -16.6209 -16.5925 -16.5925 -15.0396 -15.0396 -14.3931 -14.3931 -14.1839 -14.1839 -13.3959 -13.3959 -13.3393 -13.3393 -11.3833 -11.3833 -11.2080 -11.2080 -10.7760 -10.7760 -8.5331 -8.5331 -8.4499 -8.4499 -7.0524 -7.0524 -5.7538 -5.7538 -5.2800 -5.2800 -5.1143 -5.1143 -3.4401 -3.4401 -3.3758 -3.3758 -2.9633 -2.9633 -2.6323 -2.6323 -2.5167 -2.5167 -2.3783 -2.3783 -2.1362 -2.1362 -2.0749 -2.0749 -2.0185 -2.0185 -1.9918 -1.9918 -1.8963 -1.8963 -1.8391 -1.8391 -1.7728 -1.7728 -1.7428 -1.7428 -1.6871 -1.6871 -1.0718 -1.0718 -0.9474 -0.9474 k = 0.1613 0.2794 0.3239 ( 13816 PWs) bands (ev): -18.3890 -18.3890 -16.6206 -16.6206 -16.5924 -16.5924 -15.0401 -15.0401 -14.3920 -14.3920 -14.1817 -14.1817 -13.3976 -13.3976 -13.3375 -13.3375 -11.3842 -11.3842 -11.2084 -11.2084 -10.7767 -10.7767 -8.5266 -8.5266 -8.4478 -8.4478 -7.0675 -7.0675 -5.7640 -5.7640 -5.2866 -5.2866 -5.1183 -5.1183 -3.4367 -3.4367 -3.3764 -3.3764 -2.9483 -2.9483 -2.6288 -2.6288 -2.5203 -2.5203 -2.3843 -2.3843 -2.1310 -2.1310 -2.0731 -2.0731 -2.0189 -2.0189 -1.9957 -1.9957 -1.8951 -1.8951 -1.8362 -1.8362 -1.7666 -1.7666 -1.7328 -1.7328 -1.6903 -1.6903 -1.0569 -1.0569 -0.9378 -0.9378 k = 0.1505 0.2607 0.3239 ( 13816 PWs) bands (ev): -18.3898 -18.3898 -16.6203 -16.6203 -16.5922 -16.5922 -15.0405 -15.0405 -14.3909 -14.3909 -14.1794 -14.1794 -13.3993 -13.3993 -13.3359 -13.3359 -11.3852 -11.3852 -11.2088 -11.2088 -10.7775 -10.7775 -8.5197 -8.5197 -8.4461 -8.4461 -7.0826 -7.0826 -5.7746 -5.7746 -5.2930 -5.2930 -5.1224 -5.1224 -3.4330 -3.4330 -3.3772 -3.3772 -2.9325 -2.9325 -2.6257 -2.6257 -2.5240 -2.5240 -2.3906 -2.3906 -2.1280 -2.1280 -2.0713 -2.0713 -2.0193 -2.0193 -1.9973 -1.9973 -1.8933 -1.8933 -1.8334 -1.8334 -1.7609 -1.7609 -1.7226 -1.7226 -1.6933 -1.6933 -1.0412 -1.0412 -0.9286 -0.9286 k = 0.1398 0.2421 0.3239 ( 13812 PWs) bands (ev): -18.3905 -18.3905 -16.6201 -16.6201 -16.5920 -16.5920 -15.0410 -15.0410 -14.3898 -14.3898 -14.1772 -14.1772 -13.4008 -13.4008 -13.3343 -13.3343 -11.3861 -11.3861 -11.2091 -11.2091 -10.7782 -10.7782 -8.5122 -8.5122 -8.4447 -8.4447 -7.0977 -7.0977 -5.7854 -5.7854 -5.2994 -5.2994 -5.1264 -5.1264 -3.4290 -3.4290 -3.3782 -3.3782 -2.9158 -2.9158 -2.6230 -2.6230 -2.5277 -2.5277 -2.3973 -2.3973 -2.1274 -2.1274 -2.0694 -2.0694 -2.0208 -2.0208 -1.9955 -1.9955 -1.8911 -1.8911 -1.8307 -1.8307 -1.7556 -1.7556 -1.7125 -1.7125 -1.6961 -1.6961 -1.0251 -1.0251 -0.9199 -0.9199 k = 0.1290 0.2235 0.3239 ( 13824 PWs) bands (ev): -18.3913 -18.3913 -16.6198 -16.6198 -16.5918 -16.5918 -15.0415 -15.0415 -14.3887 -14.3887 -14.1749 -14.1749 -13.4023 -13.4023 -13.3328 -13.3328 -11.3870 -11.3870 -11.2095 -11.2095 -10.7789 -10.7789 -8.5046 -8.5046 -8.4435 -8.4435 -7.1124 -7.1124 -5.7965 -5.7965 -5.3055 -5.3055 -5.1303 -5.1303 -3.4248 -3.4248 -3.3794 -3.3794 -2.8986 -2.8986 -2.6209 -2.6209 -2.5314 -2.5314 -2.4044 -2.4044 -2.1290 -2.1290 -2.0674 -2.0674 -2.0236 -2.0236 -1.9909 -1.9909 -1.8882 -1.8882 -1.8281 -1.8281 -1.7507 -1.7507 -1.7041 -1.7041 -1.6969 -1.6969 -1.0089 -1.0089 -0.9120 -0.9120 k = 0.1183 0.2049 0.3239 ( 13818 PWs) bands (ev): -18.3921 -18.3921 -16.6195 -16.6195 -16.5916 -16.5916 -15.0419 -15.0419 -14.3876 -14.3876 -14.1727 -14.1727 -13.4036 -13.4036 -13.3314 -13.3314 -11.3879 -11.3879 -11.2098 -11.2098 -10.7797 -10.7797 -8.4968 -8.4968 -8.4427 -8.4427 -7.1267 -7.1267 -5.8075 -5.8075 -5.3114 -5.3114 -5.1340 -5.1340 -3.4205 -3.4205 -3.3807 -3.3807 -2.8809 -2.8809 -2.6194 -2.6194 -2.5349 -2.5349 -2.4119 -2.4119 -2.1324 -2.1324 -2.0653 -2.0653 -2.0268 -2.0268 -1.9848 -1.9848 -1.8847 -1.8847 -1.8255 -1.8255 -1.7463 -1.7463 -1.7038 -1.7038 -1.6893 -1.6893 -0.9931 -0.9931 -0.9049 -0.9049 k = 0.1075 0.1862 0.3239 ( 13820 PWs) bands (ev): -18.3928 -18.3928 -16.6193 -16.6193 -16.5914 -16.5914 -15.0424 -15.0424 -14.3865 -14.3865 -14.1706 -14.1706 -13.4049 -13.4049 -13.3301 -13.3301 -11.3887 -11.3887 -11.2102 -11.2102 -10.7804 -10.7804 -8.4890 -8.4890 -8.4421 -8.4421 -7.1403 -7.1403 -5.8185 -5.8185 -5.3169 -5.3169 -5.1374 -5.1374 -3.4162 -3.4162 -3.3820 -3.3820 -2.8630 -2.8630 -2.6183 -2.6183 -2.5383 -2.5383 -2.4196 -2.4196 -2.1369 -2.1369 -2.0632 -2.0632 -2.0300 -2.0300 -1.9783 -1.9783 -1.8806 -1.8806 -1.8231 -1.8231 -1.7424 -1.7424 -1.7060 -1.7060 -1.6791 -1.6791 -0.9779 -0.9779 -0.8987 -0.8987 k = 0.0968 0.1676 0.3239 ( 13816 PWs) bands (ev): -18.3935 -18.3935 -16.6191 -16.6191 -16.5912 -16.5912 -15.0428 -15.0428 -14.3855 -14.3855 -14.1686 -14.1686 -13.4061 -13.4061 -13.3290 -13.3290 -11.3896 -11.3896 -11.2105 -11.2105 -10.7810 -10.7810 -8.4814 -8.4814 -8.4417 -8.4417 -7.1531 -7.1531 -5.8292 -5.8292 -5.3222 -5.3222 -5.1405 -5.1405 -3.4119 -3.4119 -3.3833 -3.3833 -2.8450 -2.8450 -2.6179 -2.6179 -2.5413 -2.5413 -2.4278 -2.4278 -2.1421 -2.1421 -2.0611 -2.0611 -2.0329 -2.0329 -1.9721 -1.9721 -1.8761 -1.8761 -1.8207 -1.8207 -1.7389 -1.7389 -1.7084 -1.7084 -1.6687 -1.6687 -0.9639 -0.9639 -0.8934 -0.8934 k = 0.0860 0.1490 0.3239 ( 13840 PWs) bands (ev): -18.3942 -18.3942 -16.6188 -16.6188 -16.5910 -16.5910 -15.0432 -15.0432 -14.3846 -14.3846 -14.1667 -14.1667 -13.4071 -13.4071 -13.3279 -13.3279 -11.3904 -11.3904 -11.2108 -11.2108 -10.7817 -10.7817 -8.4740 -8.4740 -8.4415 -8.4415 -7.1649 -7.1649 -5.8394 -5.8394 -5.3270 -5.3270 -5.1433 -5.1433 -3.4079 -3.4079 -3.3845 -3.3845 -2.8272 -2.8272 -2.6180 -2.6180 -2.5440 -2.5440 -2.4362 -2.4362 -2.1476 -2.1476 -2.0592 -2.0592 -2.0355 -2.0355 -1.9665 -1.9665 -1.8712 -1.8712 -1.8185 -1.8185 -1.7360 -1.7360 -1.7106 -1.7106 -1.6585 -1.6585 -0.9512 -0.9512 -0.8886 -0.8886 k = 0.0753 0.1304 0.3239 ( 13840 PWs) bands (ev): -18.3948 -18.3948 -16.6187 -16.6187 -16.5909 -16.5909 -15.0436 -15.0436 -14.3837 -14.3837 -14.1649 -14.1649 -13.4081 -13.4081 -13.3269 -13.3269 -11.3911 -11.3911 -11.2111 -11.2111 -10.7822 -10.7822 -8.4672 -8.4672 -8.4414 -8.4414 -7.1757 -7.1757 -5.8490 -5.8490 -5.3314 -5.3314 -5.1457 -5.1457 -3.4041 -3.4041 -3.3857 -3.3857 -2.8097 -2.8097 -2.6186 -2.6186 -2.5463 -2.5463 -2.4447 -2.4447 -2.1530 -2.1530 -2.0575 -2.0575 -2.0376 -2.0376 -1.9619 -1.9619 -1.8662 -1.8662 -1.8165 -1.8165 -1.7335 -1.7335 -1.7124 -1.7124 -1.6487 -1.6487 -0.9402 -0.9402 -0.8842 -0.8842 k = 0.0645 0.1117 0.3239 ( 13836 PWs) bands (ev): -18.3953 -18.3953 -16.6185 -16.6185 -16.5907 -16.5907 -15.0440 -15.0440 -14.3829 -14.3829 -14.1633 -14.1633 -13.4089 -13.4089 -13.3261 -13.3261 -11.3917 -11.3917 -11.2113 -11.2113 -10.7828 -10.7828 -8.4609 -8.4609 -8.4413 -8.4413 -7.1853 -7.1853 -5.8577 -5.8577 -5.3354 -5.3354 -5.1477 -5.1477 -3.4006 -3.4006 -3.3867 -3.3867 -2.7931 -2.7931 -2.6196 -2.6196 -2.5480 -2.5480 -2.4534 -2.4534 -2.1581 -2.1581 -2.0562 -2.0562 -2.0392 -2.0392 -1.9581 -1.9581 -1.8614 -1.8614 -1.8145 -1.8145 -1.7316 -1.7316 -1.7139 -1.7139 -1.6396 -1.6396 -0.9309 -0.9309 -0.8801 -0.8801 k = 0.0538 0.0931 0.3239 ( 13840 PWs) bands (ev): -18.3958 -18.3958 -16.6183 -16.6183 -16.5906 -16.5906 -15.0443 -15.0443 -14.3823 -14.3823 -14.1619 -14.1619 -13.4096 -13.4096 -13.3253 -13.3253 -11.3923 -11.3923 -11.2115 -11.2115 -10.7832 -10.7832 -8.4554 -8.4554 -8.4414 -8.4414 -7.1935 -7.1935 -5.8654 -5.8654 -5.3388 -5.3388 -5.1495 -5.1495 -3.3976 -3.3976 -3.3875 -3.3875 -2.7775 -2.7775 -2.6211 -2.6211 -2.5492 -2.5492 -2.4618 -2.4618 -2.1627 -2.1627 -2.0552 -2.0552 -2.0404 -2.0404 -1.9551 -1.9551 -1.8570 -1.8570 -1.8127 -1.8127 -1.7303 -1.7303 -1.7150 -1.7150 -1.6313 -1.6313 -0.9235 -0.9235 -0.8764 -0.8764 k = 0.0430 0.0745 0.3239 ( 13844 PWs) bands (ev): -18.3961 -18.3961 -16.6182 -16.6182 -16.5905 -16.5905 -15.0446 -15.0446 -14.3817 -14.3817 -14.1608 -14.1608 -13.4102 -13.4102 -13.3247 -13.3247 -11.3927 -11.3927 -11.2117 -11.2117 -10.7836 -10.7836 -8.4507 -8.4507 -8.4414 -8.4414 -7.2004 -7.2004 -5.8720 -5.8720 -5.3416 -5.3416 -5.1508 -5.1508 -3.3952 -3.3952 -3.3881 -3.3881 -2.7635 -2.7635 -2.6229 -2.6229 -2.5499 -2.5499 -2.4697 -2.4697 -2.1666 -2.1666 -2.0547 -2.0547 -2.0411 -2.0411 -1.9528 -1.9528 -1.8532 -1.8532 -1.8111 -1.8111 -1.7295 -1.7295 -1.7157 -1.7157 -1.6242 -1.6242 -0.9179 -0.9179 -0.8729 -0.8729 k = 0.0323 0.0559 0.3239 ( 13836 PWs) bands (ev): -18.3964 -18.3964 -16.6181 -16.6181 -16.5904 -16.5904 -15.0448 -15.0448 -14.3813 -14.3813 -14.1598 -14.1598 -13.4107 -13.4107 -13.3243 -13.3243 -11.3931 -11.3931 -11.2119 -11.2119 -10.7839 -10.7839 -8.4471 -8.4471 -8.4414 -8.4414 -7.2058 -7.2058 -5.8773 -5.8773 -5.3438 -5.3438 -5.1519 -5.1519 -3.3934 -3.3934 -3.3884 -3.3884 -2.7515 -2.7515 -2.6248 -2.6248 -2.5501 -2.5501 -2.4767 -2.4767 -2.1697 -2.1697 -2.0544 -2.0544 -2.0415 -2.0415 -1.9511 -1.9511 -1.8502 -1.8502 -1.8098 -1.8098 -1.7290 -1.7290 -1.7161 -1.7161 -1.6184 -1.6184 -0.9138 -0.9138 -0.8701 -0.8701 k = 0.0215 0.0372 0.3239 ( 13832 PWs) bands (ev): -18.3967 -18.3967 -16.6180 -16.6180 -16.5903 -16.5903 -15.0449 -15.0449 -14.3810 -14.3810 -14.1592 -14.1592 -13.4110 -13.4110 -13.3239 -13.3239 -11.3934 -11.3934 -11.2120 -11.2120 -10.7841 -10.7841 -8.4446 -8.4446 -8.4412 -8.4412 -7.2097 -7.2097 -5.8811 -5.8811 -5.3455 -5.3455 -5.1527 -5.1527 -3.3925 -3.3925 -3.3883 -3.3883 -2.7422 -2.7422 -2.6266 -2.6266 -2.5500 -2.5500 -2.4823 -2.4823 -2.1720 -2.1720 -2.0542 -2.0542 -2.0416 -2.0416 -1.9499 -1.9499 -1.8480 -1.8480 -1.8088 -1.8088 -1.7289 -1.7289 -1.7162 -1.7162 -1.6141 -1.6141 -0.9111 -0.9111 -0.8678 -0.8678 k = 0.0108 0.0186 0.3239 ( 13842 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3808 -14.3808 -14.1587 -14.1587 -13.4112 -13.4112 -13.3237 -13.3237 -11.3936 -11.3936 -11.2120 -11.2120 -10.7842 -10.7842 -8.4434 -8.4434 -8.4408 -8.4408 -7.2121 -7.2121 -5.8835 -5.8835 -5.3464 -5.3464 -5.1531 -5.1531 -3.3921 -3.3921 -3.3880 -3.3880 -2.7363 -2.7363 -2.6278 -2.6278 -2.5498 -2.5498 -2.4859 -2.4859 -2.1734 -2.1734 -2.0542 -2.0542 -2.0416 -2.0416 -1.9493 -1.9493 -1.8467 -1.8467 -1.8082 -1.8082 -1.7288 -1.7288 -1.7162 -1.7162 -1.6115 -1.6115 -0.9095 -0.9095 -0.8665 -0.8665 k = 0.0000 0.0000 0.3239 ( 13830 PWs) bands (ev): -18.3968 -18.3968 -16.6180 -16.6180 -16.5903 -16.5903 -15.0450 -15.0450 -14.3807 -14.3807 -14.1586 -14.1586 -13.4113 -13.4113 -13.3237 -13.3237 -11.3936 -11.3936 -11.2121 -11.2121 -10.7843 -10.7843 -8.4431 -8.4431 -8.4405 -8.4405 -7.2129 -7.2129 -5.8843 -5.8843 -5.3468 -5.3468 -5.1532 -5.1532 -3.3920 -3.3920 -3.3879 -3.3879 -2.7343 -2.7343 -2.6283 -2.6283 -2.5497 -2.5497 -2.4872 -2.4872 -2.1738 -2.1738 -2.0542 -2.0542 -2.0416 -2.0416 -1.9491 -1.9491 -1.8462 -1.8462 -1.8080 -1.8080 -1.7288 -1.7288 -1.7162 -1.7162 -1.6106 -1.6106 -0.9090 -0.9090 -0.8660 -0.8660 k = 0.5000 0.2887 0.3239 ( 13764 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2388 -5.2388 -5.0748 -5.0748 -3.4725 -3.4725 -3.3570 -3.3570 -3.0492 -3.0492 -2.6528 -2.6528 -2.5265 -2.5265 -2.3116 -2.3116 -2.2342 -2.2342 -2.0934 -2.0934 -1.9820 -1.9820 -1.9106 -1.9106 -1.8971 -1.8971 -1.8541 -1.8541 -1.8303 -1.8303 -1.7938 -1.7938 -1.6773 -1.6773 -1.1546 -1.1546 -1.1006 -1.1006 k = 0.5000 0.2887 0.3037 ( 13784 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2388 -5.2388 -5.0748 -5.0748 -3.4725 -3.4725 -3.3570 -3.3570 -3.0492 -3.0492 -2.6527 -2.6527 -2.5265 -2.5265 -2.3114 -2.3114 -2.2343 -2.2343 -2.0934 -2.0934 -1.9822 -1.9822 -1.9108 -1.9108 -1.8970 -1.8970 -1.8542 -1.8542 -1.8303 -1.8303 -1.7939 -1.7939 -1.6773 -1.6773 -1.1546 -1.1546 -1.1006 -1.1006 k = 0.5000 0.2887 0.2834 ( 13794 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2388 -5.2388 -5.0748 -5.0748 -3.4725 -3.4725 -3.3570 -3.3570 -3.0492 -3.0492 -2.6525 -2.6525 -2.5266 -2.5266 -2.3110 -2.3110 -2.2343 -2.2343 -2.0934 -2.0934 -1.9826 -1.9826 -1.9111 -1.9111 -1.8966 -1.8966 -1.8544 -1.8544 -1.8302 -1.8302 -1.7938 -1.7938 -1.6773 -1.6773 -1.1546 -1.1546 -1.1006 -1.1006 k = 0.5000 0.2887 0.2632 ( 13790 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2388 -5.2388 -5.0748 -5.0748 -3.4725 -3.4725 -3.3570 -3.3570 -3.0492 -3.0492 -2.6523 -2.6523 -2.5267 -2.5267 -2.3103 -2.3103 -2.2344 -2.2344 -2.0933 -2.0933 -1.9834 -1.9834 -1.9117 -1.9117 -1.8959 -1.8959 -1.8547 -1.8547 -1.8300 -1.8300 -1.7938 -1.7938 -1.6773 -1.6773 -1.1546 -1.1546 -1.1006 -1.1006 k = 0.5000 0.2887 0.2429 ( 13772 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2388 -5.2388 -5.0748 -5.0748 -3.4724 -3.4724 -3.3571 -3.3571 -3.0492 -3.0492 -2.6519 -2.6519 -2.5269 -2.5269 -2.3094 -2.3094 -2.2345 -2.2345 -2.0933 -2.0933 -1.9844 -1.9844 -1.9125 -1.9125 -1.8950 -1.8950 -1.8551 -1.8551 -1.8297 -1.8297 -1.7937 -1.7937 -1.6773 -1.6773 -1.1547 -1.1547 -1.1006 -1.1006 k = 0.5000 0.2887 0.2227 ( 13758 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9565 -6.9565 -5.7160 -5.7160 -5.2389 -5.2389 -5.0748 -5.0748 -3.4723 -3.4723 -3.3572 -3.3572 -3.0492 -3.0492 -2.6515 -2.6515 -2.5271 -2.5271 -2.3082 -2.3082 -2.2346 -2.2346 -2.0933 -2.0933 -1.9856 -1.9856 -1.9135 -1.9135 -1.8938 -1.8938 -1.8556 -1.8556 -1.8295 -1.8295 -1.7937 -1.7937 -1.6774 -1.6774 -1.1548 -1.1548 -1.1006 -1.1006 k = 0.5000 0.2887 0.2025 ( 13766 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9566 -6.9566 -5.7161 -5.7161 -5.2389 -5.2389 -5.0748 -5.0748 -3.4722 -3.4722 -3.3573 -3.3573 -3.0493 -3.0493 -2.6510 -2.6510 -2.5274 -2.5274 -2.3069 -2.3069 -2.2348 -2.2348 -2.0933 -2.0933 -1.9869 -1.9869 -1.9146 -1.9146 -1.8925 -1.8925 -1.8562 -1.8562 -1.8292 -1.8292 -1.7936 -1.7936 -1.6774 -1.6774 -1.1548 -1.1548 -1.1006 -1.1006 k = 0.5000 0.2887 0.1822 ( 13766 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5963 -8.5963 -8.4346 -8.4346 -6.9566 -6.9566 -5.7161 -5.7161 -5.2389 -5.2389 -5.0748 -5.0748 -3.4721 -3.4721 -3.3574 -3.3574 -3.0493 -3.0493 -2.6505 -2.6505 -2.5277 -2.5277 -2.3054 -2.3054 -2.2350 -2.2350 -2.0932 -2.0932 -1.9884 -1.9884 -1.9158 -1.9158 -1.8910 -1.8910 -1.8569 -1.8569 -1.8290 -1.8290 -1.7935 -1.7935 -1.6775 -1.6775 -1.1549 -1.1549 -1.1006 -1.1006 k = 0.5000 0.2887 0.1620 ( 13770 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3823 -13.3823 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9566 -6.9566 -5.7161 -5.7161 -5.2389 -5.2389 -5.0748 -5.0748 -3.4720 -3.4720 -3.3575 -3.3575 -3.0493 -3.0493 -2.6499 -2.6499 -2.5280 -2.5280 -2.3039 -2.3039 -2.2352 -2.2352 -2.0932 -2.0932 -1.9900 -1.9900 -1.9171 -1.9171 -1.8894 -1.8894 -1.8576 -1.8576 -1.8288 -1.8288 -1.7934 -1.7934 -1.6775 -1.6775 -1.1550 -1.1550 -1.1006 -1.1006 k = 0.5000 0.2887 0.1417 ( 13760 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9566 -6.9566 -5.7161 -5.7161 -5.2389 -5.2389 -5.0748 -5.0748 -3.4719 -3.4719 -3.3576 -3.3576 -3.0494 -3.0494 -2.6493 -2.6493 -2.5283 -2.5283 -2.3023 -2.3023 -2.2355 -2.2355 -2.0931 -2.0931 -1.9916 -1.9916 -1.9183 -1.9183 -1.8876 -1.8876 -1.8584 -1.8584 -1.8287 -1.8287 -1.7933 -1.7933 -1.6775 -1.6775 -1.1551 -1.1551 -1.1006 -1.1006 k = 0.5000 0.2887 0.1215 ( 13764 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9566 -6.9566 -5.7161 -5.7161 -5.2389 -5.2389 -5.0748 -5.0748 -3.4718 -3.4718 -3.3576 -3.3576 -3.0494 -3.0494 -2.6488 -2.6488 -2.5286 -2.5286 -2.3007 -2.3007 -2.2358 -2.2358 -2.0930 -2.0930 -1.9931 -1.9931 -1.9194 -1.9194 -1.8859 -1.8859 -1.8593 -1.8593 -1.8286 -1.8286 -1.7932 -1.7932 -1.6776 -1.6776 -1.1552 -1.1552 -1.1006 -1.1006 k = 0.5000 0.2887 0.1012 ( 13768 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9566 -6.9566 -5.7161 -5.7161 -5.2389 -5.2389 -5.0748 -5.0748 -3.4717 -3.4717 -3.3577 -3.3577 -3.0495 -3.0495 -2.6483 -2.6483 -2.5289 -2.5289 -2.2993 -2.2993 -2.2361 -2.2361 -2.0930 -2.0930 -1.9946 -1.9946 -1.9205 -1.9205 -1.8842 -1.8842 -1.8601 -1.8601 -1.8285 -1.8285 -1.7932 -1.7932 -1.6776 -1.6776 -1.1553 -1.1553 -1.1006 -1.1006 k = 0.5000 0.2887 0.0810 ( 13780 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9567 -6.9567 -5.7161 -5.7161 -5.2389 -5.2389 -5.0748 -5.0748 -3.4717 -3.4717 -3.3578 -3.3578 -3.0495 -3.0495 -2.6478 -2.6478 -2.5291 -2.5291 -2.2979 -2.2979 -2.2364 -2.2364 -2.0929 -2.0929 -1.9958 -1.9958 -1.9214 -1.9214 -1.8825 -1.8825 -1.8611 -1.8611 -1.8285 -1.8285 -1.7931 -1.7931 -1.6777 -1.6777 -1.1553 -1.1553 -1.1006 -1.1006 k = 0.5000 0.2887 0.0607 ( 13768 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9567 -6.9567 -5.7161 -5.7161 -5.2389 -5.2389 -5.0749 -5.0749 -3.4716 -3.4716 -3.3579 -3.3579 -3.0495 -3.0495 -2.6474 -2.6474 -2.5293 -2.5293 -2.2969 -2.2969 -2.2366 -2.2366 -2.0928 -2.0928 -1.9969 -1.9969 -1.9221 -1.9221 -1.8810 -1.8810 -1.8619 -1.8619 -1.8285 -1.8285 -1.7930 -1.7930 -1.6777 -1.6777 -1.1554 -1.1554 -1.1006 -1.1006 k = 0.5000 0.2887 0.0405 ( 13756 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9567 -6.9567 -5.7161 -5.7161 -5.2389 -5.2389 -5.0749 -5.0749 -3.4716 -3.4716 -3.3579 -3.3579 -3.0495 -3.0495 -2.6472 -2.6472 -2.5295 -2.5295 -2.2960 -2.2960 -2.2368 -2.2368 -2.0928 -2.0928 -1.9976 -1.9976 -1.9227 -1.9227 -1.8798 -1.8798 -1.8626 -1.8626 -1.8285 -1.8285 -1.7930 -1.7930 -1.6777 -1.6777 -1.1554 -1.1554 -1.1006 -1.1006 k = 0.5000 0.2887 0.0202 ( 13772 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9567 -6.9567 -5.7161 -5.7161 -5.2389 -5.2389 -5.0749 -5.0749 -3.4715 -3.4715 -3.3579 -3.3579 -3.0495 -3.0495 -2.6470 -2.6470 -2.5295 -2.5295 -2.2955 -2.2955 -2.2369 -2.2369 -2.0927 -2.0927 -1.9981 -1.9981 -1.9230 -1.9230 -1.8790 -1.8790 -1.8632 -1.8632 -1.8285 -1.8285 -1.7929 -1.7929 -1.6777 -1.6777 -1.1555 -1.1555 -1.1006 -1.1006 k = 0.5000 0.2887-0.0000 ( 13774 PWs) bands (ev): -18.3836 -18.3836 -16.6230 -16.6230 -16.5931 -16.5931 -15.0373 -15.0373 -14.4006 -14.4006 -14.1954 -14.1954 -13.3822 -13.3822 -13.3531 -13.3531 -11.3783 -11.3783 -11.2059 -11.2059 -10.7716 -10.7716 -8.5964 -8.5964 -8.4346 -8.4346 -6.9567 -6.9567 -5.7161 -5.7161 -5.2389 -5.2389 -5.0749 -5.0749 -3.4715 -3.4715 -3.3579 -3.3579 -3.0495 -3.0495 -2.6469 -2.6469 -2.5296 -2.5296 -2.2954 -2.2954 -2.2370 -2.2370 -2.0927 -2.0927 -1.9983 -1.9983 -1.9232 -1.9232 -1.8788 -1.8788 -1.8633 -1.8633 -1.8285 -1.8285 -1.7929 -1.7929 -1.6777 -1.6777 -1.1555 -1.1555 -1.1006 -1.1006 k = 0.3333 0.5774-0.0000 ( 13818 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1069 -5.1069 -3.4261 -3.4261 -3.4106 -3.4106 -3.0586 -3.0586 -2.6777 -2.6777 -2.4806 -2.4806 -2.3366 -2.3366 -2.2054 -2.2054 -2.1033 -2.1033 -2.0039 -2.0039 -1.9082 -1.9082 -1.8980 -1.8980 -1.8849 -1.8849 -1.8664 -1.8664 -1.8130 -1.8130 -1.6571 -1.6571 -1.0967 -1.0967 -1.0468 -1.0468 k = 0.3333 0.5774 0.0202 ( 13809 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3761 -11.3761 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4261 -3.4261 -3.4106 -3.4106 -3.0586 -3.0586 -2.6778 -2.6778 -2.4806 -2.4806 -2.3367 -2.3367 -2.2055 -2.2055 -2.1030 -2.1030 -2.0039 -2.0039 -1.9081 -1.9081 -1.8979 -1.8979 -1.8848 -1.8848 -1.8664 -1.8664 -1.8131 -1.8131 -1.6571 -1.6571 -1.0967 -1.0967 -1.0467 -1.0467 k = 0.3333 0.5774 0.0405 ( 13809 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4106 -3.4106 -3.0586 -3.0586 -2.6779 -2.6779 -2.4807 -2.4807 -2.3369 -2.3369 -2.2057 -2.2057 -2.1025 -2.1025 -2.0038 -2.0038 -1.9078 -1.9078 -1.8980 -1.8980 -1.8847 -1.8847 -1.8663 -1.8663 -1.8135 -1.8135 -1.6571 -1.6571 -1.0967 -1.0967 -1.0467 -1.0467 k = 0.3333 0.5774 0.0607 ( 13782 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4106 -3.4106 -3.0586 -3.0586 -2.6781 -2.6781 -2.4809 -2.4809 -2.3374 -2.3374 -2.2062 -2.2062 -2.1015 -2.1015 -2.0037 -2.0037 -1.9072 -1.9072 -1.8980 -1.8980 -1.8845 -1.8845 -1.8662 -1.8662 -1.8140 -1.8140 -1.6571 -1.6571 -1.0967 -1.0967 -1.0467 -1.0467 k = 0.3333 0.5774 0.0810 ( 13800 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4106 -3.4106 -3.0586 -3.0586 -2.6784 -2.6784 -2.4811 -2.4811 -2.3379 -2.3379 -2.2067 -2.2067 -2.1003 -2.1003 -2.0036 -2.0036 -1.9065 -1.9065 -1.8980 -1.8980 -1.8841 -1.8841 -1.8660 -1.8660 -1.8148 -1.8148 -1.6571 -1.6571 -1.0967 -1.0967 -1.0467 -1.0467 k = 0.3333 0.5774 0.1012 ( 13782 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9288 -6.9288 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4106 -3.4106 -3.0586 -3.0586 -2.6788 -2.6788 -2.4814 -2.4814 -2.3386 -2.3386 -2.2074 -2.2074 -2.0988 -2.0988 -2.0034 -2.0034 -1.9057 -1.9057 -1.8980 -1.8980 -1.8837 -1.8837 -1.8658 -1.8658 -1.8157 -1.8157 -1.6572 -1.6572 -1.0966 -1.0966 -1.0466 -1.0466 k = 0.3333 0.5774 0.1215 ( 13773 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9287 -6.9287 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4106 -3.4106 -3.0586 -3.0586 -2.6793 -2.6793 -2.4818 -2.4818 -2.3394 -2.3394 -2.2080 -2.2080 -2.0971 -2.0971 -2.0033 -2.0033 -1.9047 -1.9047 -1.8981 -1.8981 -1.8832 -1.8832 -1.8655 -1.8655 -1.8168 -1.8168 -1.6572 -1.6572 -1.0966 -1.0966 -1.0466 -1.0466 k = 0.3333 0.5774 0.1417 ( 13785 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9287 -6.9287 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4107 -3.4107 -3.0586 -3.0586 -2.6797 -2.6797 -2.4821 -2.4821 -2.3403 -2.3403 -2.2088 -2.2088 -2.0954 -2.0954 -2.0031 -2.0031 -1.9036 -1.9036 -1.8982 -1.8982 -1.8827 -1.8827 -1.8652 -1.8652 -1.8180 -1.8180 -1.6572 -1.6572 -1.0965 -1.0965 -1.0465 -1.0465 k = 0.3333 0.5774 0.1620 ( 13794 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9287 -6.9287 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4107 -3.4107 -3.0586 -3.0586 -2.6802 -2.6802 -2.4825 -2.4825 -2.3412 -2.3412 -2.2094 -2.2094 -2.0937 -2.0937 -2.0029 -2.0029 -1.9025 -1.9025 -1.8983 -1.8983 -1.8820 -1.8820 -1.8649 -1.8649 -1.8194 -1.8194 -1.6572 -1.6572 -1.0965 -1.0965 -1.0464 -1.0464 k = 0.3333 0.5774 0.1822 ( 13803 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9287 -6.9287 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4262 -3.4262 -3.4107 -3.4107 -3.0586 -3.0586 -2.6807 -2.6807 -2.4828 -2.4828 -2.3421 -2.3421 -2.2101 -2.2101 -2.0920 -2.0920 -2.0027 -2.0027 -1.9014 -1.9014 -1.8984 -1.8984 -1.8813 -1.8813 -1.8646 -1.8646 -1.8208 -1.8208 -1.6572 -1.6572 -1.0964 -1.0964 -1.0464 -1.0464 k = 0.3333 0.5774 0.2025 ( 13779 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9287 -6.9287 -5.6728 -5.6728 -5.2009 -5.2009 -5.1068 -5.1068 -3.4263 -3.4263 -3.4107 -3.4107 -3.0586 -3.0586 -2.6812 -2.6812 -2.4832 -2.4832 -2.3430 -2.3430 -2.2106 -2.2106 -2.0904 -2.0904 -2.0025 -2.0025 -1.9003 -1.9003 -1.8984 -1.8984 -1.8805 -1.8805 -1.8643 -1.8643 -1.8222 -1.8222 -1.6572 -1.6572 -1.0963 -1.0963 -1.0463 -1.0463 k = 0.3333 0.5774 0.2227 ( 13791 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4107 -3.4107 -3.0586 -3.0586 -2.6816 -2.6816 -2.4835 -2.4835 -2.3438 -2.3438 -2.2111 -2.2111 -2.0890 -2.0890 -2.0023 -2.0023 -1.8993 -1.8993 -1.8985 -1.8985 -1.8797 -1.8797 -1.8640 -1.8640 -1.8235 -1.8235 -1.6573 -1.6573 -1.0963 -1.0963 -1.0463 -1.0463 k = 0.3333 0.5774 0.2429 ( 13791 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4108 -3.4108 -3.0586 -3.0586 -2.6820 -2.6820 -2.4838 -2.4838 -2.3445 -2.3445 -2.2115 -2.2115 -2.0878 -2.0878 -2.0022 -2.0022 -1.8986 -1.8986 -1.8985 -1.8985 -1.8789 -1.8789 -1.8637 -1.8637 -1.8248 -1.8248 -1.6573 -1.6573 -1.0963 -1.0963 -1.0462 -1.0462 k = 0.3333 0.5774 0.2632 ( 13779 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4108 -3.4108 -3.0586 -3.0586 -2.6823 -2.6823 -2.4840 -2.4840 -2.3451 -2.3451 -2.2119 -2.2119 -2.0868 -2.0868 -2.0020 -2.0020 -1.8987 -1.8987 -1.8978 -1.8978 -1.8782 -1.8782 -1.8635 -1.8635 -1.8258 -1.8258 -1.6573 -1.6573 -1.0962 -1.0962 -1.0462 -1.0462 k = 0.3333 0.5774 0.2834 ( 13791 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4108 -3.4108 -3.0586 -3.0586 -2.6825 -2.6825 -2.4842 -2.4842 -2.3455 -2.3455 -2.2121 -2.2121 -2.0861 -2.0861 -2.0019 -2.0019 -1.8987 -1.8987 -1.8974 -1.8974 -1.8777 -1.8777 -1.8634 -1.8634 -1.8267 -1.8267 -1.6573 -1.6573 -1.0962 -1.0962 -1.0461 -1.0461 k = 0.3333 0.5774 0.3037 ( 13779 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4108 -3.4108 -3.0586 -3.0586 -2.6826 -2.6826 -2.4843 -2.4843 -2.3458 -2.3458 -2.2122 -2.2122 -2.0856 -2.0856 -2.0019 -2.0019 -1.8988 -1.8988 -1.8970 -1.8970 -1.8773 -1.8773 -1.8633 -1.8633 -1.8272 -1.8272 -1.6573 -1.6573 -1.0962 -1.0962 -1.0461 -1.0461 k = 0.3333 0.5774 0.3239 ( 13788 PWs) bands (ev): -18.3819 -18.3819 -16.6225 -16.6225 -16.5947 -16.5947 -15.0361 -15.0361 -14.4002 -14.4002 -14.2033 -14.2033 -13.3677 -13.3677 -13.3677 -13.3677 -11.3760 -11.3760 -11.2052 -11.2052 -10.7701 -10.7701 -8.5293 -8.5293 -8.5220 -8.5220 -6.9286 -6.9286 -5.6728 -5.6728 -5.2009 -5.2009 -5.1067 -5.1067 -3.4263 -3.4263 -3.4108 -3.4108 -3.0586 -3.0586 -2.6827 -2.6827 -2.4843 -2.4843 -2.3459 -2.3459 -2.2123 -2.2123 -2.0855 -2.0855 -2.0019 -2.0019 -1.8988 -1.8988 -1.8969 -1.8969 -1.8772 -1.8772 -1.8632 -1.8632 -1.8274 -1.8274 -1.6573 -1.6573 -1.0962 -1.0962 -1.0461 -1.0461 Writing output data file PtxS3Nx2.save init_run : 0.76s CPU 1.03s WALL ( 1 calls) electrons : 433.88s CPU 437.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 433.88s CPU 437.32s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.18s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.12s WALL ( 205 calls) cegterg : 398.21s CPU 400.96s WALL ( 354 calls) Called by sum_band: Called by *egterg: h_psi : 279.26s CPU 282.06s WALL ( 5164 calls) s_psi : 11.87s CPU 11.86s WALL ( 5164 calls) g_psi : 0.38s CPU 0.37s WALL ( 4605 calls) cdiaghg : 94.73s CPU 94.90s WALL ( 4810 calls) cegterg:over : 16.82s CPU 16.79s WALL ( 4605 calls) cegterg:upda : 10.80s CPU 10.87s WALL ( 4605 calls) cegterg:last : 7.46s CPU 7.57s WALL ( 969 calls) cdiaghg:chol : 3.66s CPU 3.61s WALL ( 4810 calls) cdiaghg:inve : 2.14s CPU 2.20s WALL ( 4810 calls) cdiaghg:para : 6.67s CPU 6.61s WALL ( 9620 calls) Called by h_psi: h_psi:vloc : 252.17s CPU 254.88s WALL ( 5164 calls) h_psi:vnl : 26.73s CPU 26.80s WALL ( 5164 calls) add_vuspsi : 13.55s CPU 13.64s WALL ( 5164 calls) General routines calbec : 13.16s CPU 13.14s WALL ( 5164 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 241.42s CPU 244.33s WALL ( 746984 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.33s WALL ( 410 calls) Parallel routines fft_scatter : 156.44s CPU 157.85s WALL ( 747007 calls) PWSCF : 8m 6.74s CPU 8m35.94s WALL This run was terminated on: 7:17:43 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=