Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:16:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlSiTe3.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 56 15 2086 2086 309 Max 57 57 16 2091 2091 314 Sum 2029 2029 571 75151 75151 11219 bravais-lattice index = 14 lattice parameter (alat) = 12.9151 a.u. unit-cell volume = 1909.4823 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 176.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.915143 celldm(2)= 1.000000 celldm(3)= 1.023499 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 1.023499 ) 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 0.977041 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) Si 4.00 28.08550 Si( 1.00) 6 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 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 inversion cryst. s( 4) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 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 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 1 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 ) double point group S_6 (-3) there are 12 classes and 6 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6 G_4+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6+ 1.00 -1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 -1.00 1.00 -1.00 1.00 G_4- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50 G_5- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50 G_6- 1.00 -1.00 -1.00 1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 1.00 -1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6 G_4+ 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5+ 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6+ 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_4- 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 -0.87 0.87 0.87 -0.87 G_5- 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.87 -0.87 -0.87 0.87 G_6- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C3 2 120 deg rotation - cryst. axis [0,0,1] -C3 -2 120 deg rotation - cryst. axis [0,0,1] E C3^2 3 120 deg rotation - cryst. axis [0,0,-1] -C3^2 -3 120 deg rotation - cryst. axis [0,0,-1] E i 4 inversion -i -4 inversion E S6^5 5 inv. 120 deg rotation - cryst. axis [0,0,1] -S6^5 -5 inv. 120 deg rotation - cryst. axis [0,0,1] E S6 6 inv. 120 deg rotation - cryst. axis [0,0,-1] -S6 -6 inv. 120 deg rotation - cryst. axis [0,0,-1] E Cartesian axes number of k points= 226 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0044248 k( 3) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0044248 k( 4) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0044248 k( 5) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0044248 k( 6) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0044248 k( 7) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0044248 k( 8) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0044248 k( 9) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0044248 k( 10) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0044248 k( 11) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0044248 k( 12) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0044248 k( 13) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0044248 k( 14) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0044248 k( 15) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0044248 k( 16) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0044248 k( 17) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0044248 k( 18) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0044248 k( 19) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0044248 k( 20) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0044248 k( 21) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0044248 k( 22) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0044248 k( 23) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0044248 k( 24) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0044248 k( 25) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0044248 k( 26) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0044248 k( 27) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0044248 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044248 k( 29) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044248 k( 30) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0044248 k( 31) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0044248 k( 32) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0044248 k( 33) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0044248 k( 34) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0044248 k( 35) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0044248 k( 36) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0044248 k( 37) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0044248 k( 38) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0044248 k( 39) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0044248 k( 40) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0044248 k( 41) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0044248 k( 42) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0044248 k( 43) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0044248 k( 44) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0044248 k( 45) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044248 k( 46) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044248 k( 47) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0044248 k( 48) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0044248 k( 49) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0044248 k( 50) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0044248 k( 51) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0044248 k( 52) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0044248 k( 53) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0044248 k( 54) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0044248 k( 55) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0044248 k( 56) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0044248 k( 57) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0044248 k( 58) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0044248 k( 59) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0044248 k( 60) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0044248 k( 61) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0044248 k( 62) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0044248 k( 63) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0044248 k( 64) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0044248 k( 65) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0044248 k( 66) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0044248 k( 67) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0044248 k( 68) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0044248 k( 69) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0044248 k( 70) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0044248 k( 71) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0044248 k( 72) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0044248 k( 73) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0044248 k( 74) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0044248 k( 75) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0044248 k( 76) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0044248 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 79) = ( 0.0000000 0.0000000 0.0212400), wk = 0.0044248 k( 80) = ( 0.0000000 0.0000000 0.0424800), wk = 0.0044248 k( 81) = ( 0.0000000 0.0000000 0.0637200), wk = 0.0044248 k( 82) = ( 0.0000000 0.0000000 0.0849601), wk = 0.0044248 k( 83) = ( 0.0000000 0.0000000 0.1062001), wk = 0.0044248 k( 84) = ( 0.0000000 0.0000000 0.1274401), wk = 0.0044248 k( 85) = ( 0.0000000 0.0000000 0.1486801), wk = 0.0044248 k( 86) = ( 0.0000000 0.0000000 0.1699201), wk = 0.0044248 k( 87) = ( 0.0000000 0.0000000 0.1911601), wk = 0.0044248 k( 88) = ( 0.0000000 0.0000000 0.2124002), wk = 0.0044248 k( 89) = ( 0.0000000 0.0000000 0.2336402), wk = 0.0044248 k( 90) = ( 0.0000000 0.0000000 0.2548802), wk = 0.0044248 k( 91) = ( 0.0000000 0.0000000 0.2761202), wk = 0.0044248 k( 92) = ( 0.0000000 0.0000000 0.2973602), wk = 0.0044248 k( 93) = ( 0.0000000 0.0000000 0.3186002), wk = 0.0044248 k( 94) = ( 0.0000000 0.0000000 0.3398403), wk = 0.0044248 k( 95) = ( 0.0000000 0.0000000 0.3610803), wk = 0.0044248 k( 96) = ( 0.0000000 0.0000000 0.3823203), wk = 0.0044248 k( 97) = ( 0.0000000 0.0000000 0.4035603), wk = 0.0044248 k( 98) = ( 0.0000000 0.0000000 0.4248003), wk = 0.0044248 k( 99) = ( 0.0000000 0.0000000 0.4460403), wk = 0.0044248 k( 100) = ( 0.0000000 0.0000000 0.4672804), wk = 0.0044248 k( 101) = ( 0.0000000 0.0000000 0.4885204), wk = 0.0044248 k( 102) = ( 0.0000000 0.0000000 0.4885204), wk = 0.0044248 k( 103) = ( 0.0185185 0.0106917 0.4885204), wk = 0.0044248 k( 104) = ( 0.0370370 0.0213833 0.4885204), wk = 0.0044248 k( 105) = ( 0.0555556 0.0320750 0.4885204), wk = 0.0044248 k( 106) = ( 0.0740741 0.0427667 0.4885204), wk = 0.0044248 k( 107) = ( 0.0925926 0.0534584 0.4885204), wk = 0.0044248 k( 108) = ( 0.1111111 0.0641500 0.4885204), wk = 0.0044248 k( 109) = ( 0.1296296 0.0748417 0.4885204), wk = 0.0044248 k( 110) = ( 0.1481482 0.0855334 0.4885204), wk = 0.0044248 k( 111) = ( 0.1666667 0.0962250 0.4885204), wk = 0.0044248 k( 112) = ( 0.1851852 0.1069167 0.4885204), wk = 0.0044248 k( 113) = ( 0.2037037 0.1176084 0.4885204), wk = 0.0044248 k( 114) = ( 0.2222222 0.1283001 0.4885204), wk = 0.0044248 k( 115) = ( 0.2407407 0.1389917 0.4885204), wk = 0.0044248 k( 116) = ( 0.2592593 0.1496834 0.4885204), wk = 0.0044248 k( 117) = ( 0.2777778 0.1603751 0.4885204), wk = 0.0044248 k( 118) = ( 0.2962963 0.1710667 0.4885204), wk = 0.0044248 k( 119) = ( 0.3148148 0.1817584 0.4885204), wk = 0.0044248 k( 120) = ( 0.3333333 0.1924501 0.4885204), wk = 0.0044248 k( 121) = ( 0.3518519 0.2031418 0.4885204), wk = 0.0044248 k( 122) = ( 0.3703704 0.2138334 0.4885204), wk = 0.0044248 k( 123) = ( 0.3888889 0.2245251 0.4885204), wk = 0.0044248 k( 124) = ( 0.4074074 0.2352168 0.4885204), wk = 0.0044248 k( 125) = ( 0.4259259 0.2459085 0.4885204), wk = 0.0044248 k( 126) = ( 0.4444444 0.2566001 0.4885204), wk = 0.0044248 k( 127) = ( 0.4629630 0.2672918 0.4885204), wk = 0.0044248 k( 128) = ( 0.4814815 0.2779835 0.4885204), wk = 0.0044248 k( 129) = ( 0.5000000 0.2886751 0.4885204), wk = 0.0044248 k( 130) = ( 0.5000000 0.2886751 0.4885204), wk = 0.0044248 k( 131) = ( 0.4895833 0.3067173 0.4885204), wk = 0.0044248 k( 132) = ( 0.4791667 0.3247595 0.4885204), wk = 0.0044248 k( 133) = ( 0.4687500 0.3428017 0.4885204), wk = 0.0044248 k( 134) = ( 0.4583333 0.3608439 0.4885204), wk = 0.0044248 k( 135) = ( 0.4479167 0.3788861 0.4885204), wk = 0.0044248 k( 136) = ( 0.4375000 0.3969283 0.4885204), wk = 0.0044248 k( 137) = ( 0.4270833 0.4149705 0.4885204), wk = 0.0044248 k( 138) = ( 0.4166667 0.4330127 0.4885204), wk = 0.0044248 k( 139) = ( 0.4062500 0.4510549 0.4885204), wk = 0.0044248 k( 140) = ( 0.3958333 0.4690971 0.4885204), wk = 0.0044248 k( 141) = ( 0.3854167 0.4871393 0.4885204), wk = 0.0044248 k( 142) = ( 0.3750000 0.5051815 0.4885204), wk = 0.0044248 k( 143) = ( 0.3645833 0.5232237 0.4885204), wk = 0.0044248 k( 144) = ( 0.3541667 0.5412659 0.4885204), wk = 0.0044248 k( 145) = ( 0.3437500 0.5593081 0.4885204), wk = 0.0044248 k( 146) = ( 0.3333333 0.5773503 0.4885204), wk = 0.0044248 k( 147) = ( 0.3333333 0.5773503 0.4885204), wk = 0.0044248 k( 148) = ( 0.3225807 0.5587261 0.4885204), wk = 0.0044248 k( 149) = ( 0.3118280 0.5401019 0.4885204), wk = 0.0044248 k( 150) = ( 0.3010753 0.5214777 0.4885204), wk = 0.0044248 k( 151) = ( 0.2903226 0.5028535 0.4885204), wk = 0.0044248 k( 152) = ( 0.2795699 0.4842293 0.4885204), wk = 0.0044248 k( 153) = ( 0.2688172 0.4656050 0.4885204), wk = 0.0044248 k( 154) = ( 0.2580645 0.4469809 0.4885204), wk = 0.0044248 k( 155) = ( 0.2473118 0.4283567 0.4885204), wk = 0.0044248 k( 156) = ( 0.2365591 0.4097324 0.4885204), wk = 0.0044248 k( 157) = ( 0.2258064 0.3911082 0.4885204), wk = 0.0044248 k( 158) = ( 0.2150538 0.3724840 0.4885204), wk = 0.0044248 k( 159) = ( 0.2043011 0.3538599 0.4885204), wk = 0.0044248 k( 160) = ( 0.1935484 0.3352356 0.4885204), wk = 0.0044248 k( 161) = ( 0.1827957 0.3166114 0.4885204), wk = 0.0044248 k( 162) = ( 0.1720430 0.2979872 0.4885204), wk = 0.0044248 k( 163) = ( 0.1612903 0.2793630 0.4885204), wk = 0.0044248 k( 164) = ( 0.1505376 0.2607388 0.4885204), wk = 0.0044248 k( 165) = ( 0.1397849 0.2421146 0.4885204), wk = 0.0044248 k( 166) = ( 0.1290323 0.2234904 0.4885204), wk = 0.0044248 k( 167) = ( 0.1182796 0.2048662 0.4885204), wk = 0.0044248 k( 168) = ( 0.1075269 0.1862420 0.4885204), wk = 0.0044248 k( 169) = ( 0.0967742 0.1676178 0.4885204), wk = 0.0044248 k( 170) = ( 0.0860215 0.1489936 0.4885204), wk = 0.0044248 k( 171) = ( 0.0752688 0.1303694 0.4885204), wk = 0.0044248 k( 172) = ( 0.0645161 0.1117452 0.4885204), wk = 0.0044248 k( 173) = ( 0.0537634 0.0931210 0.4885204), wk = 0.0044248 k( 174) = ( 0.0430108 0.0744968 0.4885204), wk = 0.0044248 k( 175) = ( 0.0322581 0.0558726 0.4885204), wk = 0.0044248 k( 176) = ( 0.0215054 0.0372484 0.4885204), wk = 0.0044248 k( 177) = ( 0.0107527 0.0186242 0.4885204), wk = 0.0044248 k( 178) = ( 0.0000000 0.0000000 0.4885204), wk = 0.0044248 k( 179) = ( 0.5000000 0.2886751 0.4885204), wk = 0.0044248 k( 180) = ( 0.5000000 0.2886751 0.4672804), wk = 0.0044248 k( 181) = ( 0.5000000 0.2886751 0.4460403), wk = 0.0044248 k( 182) = ( 0.5000000 0.2886751 0.4248003), wk = 0.0044248 k( 183) = ( 0.5000000 0.2886751 0.4035603), wk = 0.0044248 k( 184) = ( 0.5000000 0.2886751 0.3823203), wk = 0.0044248 k( 185) = ( 0.5000000 0.2886751 0.3610803), wk = 0.0044248 k( 186) = ( 0.5000000 0.2886751 0.3398403), wk = 0.0044248 k( 187) = ( 0.5000000 0.2886751 0.3186002), wk = 0.0044248 k( 188) = ( 0.5000000 0.2886751 0.2973602), wk = 0.0044248 k( 189) = ( 0.5000000 0.2886751 0.2761202), wk = 0.0044248 k( 190) = ( 0.5000000 0.2886751 0.2548802), wk = 0.0044248 k( 191) = ( 0.5000000 0.2886751 0.2336402), wk = 0.0044248 k( 192) = ( 0.5000000 0.2886751 0.2124002), wk = 0.0044248 k( 193) = ( 0.5000000 0.2886751 0.1911601), wk = 0.0044248 k( 194) = ( 0.5000000 0.2886751 0.1699201), wk = 0.0044248 k( 195) = ( 0.5000000 0.2886751 0.1486801), wk = 0.0044248 k( 196) = ( 0.5000000 0.2886751 0.1274401), wk = 0.0044248 k( 197) = ( 0.5000000 0.2886751 0.1062001), wk = 0.0044248 k( 198) = ( 0.5000000 0.2886751 0.0849601), wk = 0.0044248 k( 199) = ( 0.5000000 0.2886751 0.0637200), wk = 0.0044248 k( 200) = ( 0.5000000 0.2886751 0.0424800), wk = 0.0044248 k( 201) = ( 0.5000000 0.2886751 0.0212400), wk = 0.0044248 k( 202) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044248 k( 203) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044248 k( 204) = ( 0.3333333 0.5773503 0.0212400), wk = 0.0044248 k( 205) = ( 0.3333333 0.5773503 0.0424800), wk = 0.0044248 k( 206) = ( 0.3333333 0.5773503 0.0637200), wk = 0.0044248 k( 207) = ( 0.3333333 0.5773503 0.0849601), wk = 0.0044248 k( 208) = ( 0.3333333 0.5773503 0.1062001), wk = 0.0044248 k( 209) = ( 0.3333333 0.5773503 0.1274401), wk = 0.0044248 k( 210) = ( 0.3333333 0.5773503 0.1486801), wk = 0.0044248 k( 211) = ( 0.3333333 0.5773503 0.1699201), wk = 0.0044248 k( 212) = ( 0.3333333 0.5773503 0.1911601), wk = 0.0044248 k( 213) = ( 0.3333333 0.5773503 0.2124002), wk = 0.0044248 k( 214) = ( 0.3333333 0.5773503 0.2336402), wk = 0.0044248 k( 215) = ( 0.3333333 0.5773503 0.2548802), wk = 0.0044248 k( 216) = ( 0.3333333 0.5773503 0.2761202), wk = 0.0044248 k( 217) = ( 0.3333333 0.5773503 0.2973602), wk = 0.0044248 k( 218) = ( 0.3333333 0.5773503 0.3186002), wk = 0.0044248 k( 219) = ( 0.3333333 0.5773503 0.3398403), wk = 0.0044248 k( 220) = ( 0.3333333 0.5773503 0.3610803), wk = 0.0044248 k( 221) = ( 0.3333333 0.5773503 0.3823203), wk = 0.0044248 k( 222) = ( 0.3333333 0.5773503 0.4035603), wk = 0.0044248 k( 223) = ( 0.3333333 0.5773503 0.4248003), wk = 0.0044248 k( 224) = ( 0.3333333 0.5773503 0.4460403), wk = 0.0044248 k( 225) = ( 0.3333333 0.5773503 0.4672804), wk = 0.0044248 k( 226) = ( 0.3333333 0.5773503 0.4885204), wk = 0.0044248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0044248 k( 3) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0044248 k( 4) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0044248 k( 5) = ( 0.0740741 -0.0000000 0.0000000), wk = 0.0044248 k( 6) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0044248 k( 7) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0044248 k( 8) = ( 0.1296296 -0.0000000 -0.0000000), wk = 0.0044248 k( 9) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0044248 k( 10) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0044248 k( 11) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0044248 k( 12) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0044248 k( 13) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0044248 k( 14) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0044248 k( 15) = ( 0.2592593 -0.0000000 -0.0000000), wk = 0.0044248 k( 16) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0044248 k( 17) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0044248 k( 18) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0044248 k( 19) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0044248 k( 20) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0044248 k( 21) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0044248 k( 22) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0044248 k( 23) = ( 0.4074074 -0.0000000 -0.0000000), wk = 0.0044248 k( 24) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0044248 k( 25) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0044248 k( 26) = ( 0.4629630 -0.0000000 0.0000000), wk = 0.0044248 k( 27) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0044248 k( 28) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0044248 k( 29) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0044248 k( 30) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0044248 k( 31) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0044248 k( 32) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0044248 k( 33) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0044248 k( 34) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0044248 k( 35) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0044248 k( 36) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0044248 k( 37) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0044248 k( 38) = ( 0.4062500 0.1875000 -0.0000000), wk = 0.0044248 k( 39) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0044248 k( 40) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0044248 k( 41) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0044248 k( 42) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0044248 k( 43) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0044248 k( 44) = ( 0.3437500 0.3125000 -0.0000000), wk = 0.0044248 k( 45) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044248 k( 46) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044248 k( 47) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0044248 k( 48) = ( 0.3118280 0.3118280 -0.0000000), wk = 0.0044248 k( 49) = ( 0.3010753 0.3010753 0.0000000), wk = 0.0044248 k( 50) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0044248 k( 51) = ( 0.2795699 0.2795699 -0.0000000), wk = 0.0044248 k( 52) = ( 0.2688172 0.2688172 0.0000000), wk = 0.0044248 k( 53) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0044248 k( 54) = ( 0.2473118 0.2473118 -0.0000000), wk = 0.0044248 k( 55) = ( 0.2365591 0.2365591 -0.0000000), wk = 0.0044248 k( 56) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0044248 k( 57) = ( 0.2150538 0.2150538 0.0000000), wk = 0.0044248 k( 58) = ( 0.2043011 0.2043011 -0.0000000), wk = 0.0044248 k( 59) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0044248 k( 60) = ( 0.1827957 0.1827957 0.0000000), wk = 0.0044248 k( 61) = ( 0.1720430 0.1720430 -0.0000000), wk = 0.0044248 k( 62) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0044248 k( 63) = ( 0.1505376 0.1505376 -0.0000000), wk = 0.0044248 k( 64) = ( 0.1397849 0.1397849 -0.0000000), wk = 0.0044248 k( 65) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0044248 k( 66) = ( 0.1182796 0.1182796 -0.0000000), wk = 0.0044248 k( 67) = ( 0.1075269 0.1075269 0.0000000), wk = 0.0044248 k( 68) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0044248 k( 69) = ( 0.0860215 0.0860215 0.0000000), wk = 0.0044248 k( 70) = ( 0.0752688 0.0752688 0.0000000), wk = 0.0044248 k( 71) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0044248 k( 72) = ( 0.0537634 0.0537634 0.0000000), wk = 0.0044248 k( 73) = ( 0.0430108 0.0430107 -0.0000000), wk = 0.0044248 k( 74) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0044248 k( 75) = ( 0.0215054 0.0215054 -0.0000000), wk = 0.0044248 k( 76) = ( 0.0107527 0.0107527 -0.0000000), wk = 0.0044248 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 79) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0044248 k( 80) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0044248 k( 81) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0044248 k( 82) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0044248 k( 83) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0044248 k( 84) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0044248 k( 85) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0044248 k( 86) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0044248 k( 87) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0044248 k( 88) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0044248 k( 89) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0044248 k( 90) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0044248 k( 91) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0044248 k( 92) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0044248 k( 93) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0044248 k( 94) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0044248 k( 95) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0044248 k( 96) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0044248 k( 97) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0044248 k( 98) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0044248 k( 99) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0044248 k( 100) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0044248 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044248 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044248 k( 103) = ( 0.0185185 -0.0000000 0.5000000), wk = 0.0044248 k( 104) = ( 0.0370370 -0.0000000 0.5000000), wk = 0.0044248 k( 105) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0044248 k( 106) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0044248 k( 107) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0044248 k( 108) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0044248 k( 109) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0044248 k( 110) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0044248 k( 111) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0044248 k( 112) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0044248 k( 113) = ( 0.2037037 -0.0000000 0.5000000), wk = 0.0044248 k( 114) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0044248 k( 115) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0044248 k( 116) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0044248 k( 117) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0044248 k( 118) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0044248 k( 119) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0044248 k( 120) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0044248 k( 121) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0044248 k( 122) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0044248 k( 123) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0044248 k( 124) = ( 0.4074074 -0.0000000 0.5000000), wk = 0.0044248 k( 125) = ( 0.4259259 -0.0000000 0.5000000), wk = 0.0044248 k( 126) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0044248 k( 127) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0044248 k( 128) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0044248 k( 129) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044248 k( 130) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044248 k( 131) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0044248 k( 132) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0044248 k( 133) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0044248 k( 134) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0044248 k( 135) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0044248 k( 136) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0044248 k( 137) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0044248 k( 138) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0044248 k( 139) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0044248 k( 140) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0044248 k( 141) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0044248 k( 142) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0044248 k( 143) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0044248 k( 144) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0044248 k( 145) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0044248 k( 146) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044248 k( 147) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044248 k( 148) = ( 0.3225807 0.3225806 0.5000000), wk = 0.0044248 k( 149) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0044248 k( 150) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0044248 k( 151) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0044248 k( 152) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0044248 k( 153) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0044248 k( 154) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0044248 k( 155) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0044248 k( 156) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0044248 k( 157) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0044248 k( 158) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0044248 k( 159) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0044248 k( 160) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0044248 k( 161) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0044248 k( 162) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0044248 k( 163) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0044248 k( 164) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0044248 k( 165) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0044248 k( 166) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0044248 k( 167) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0044248 k( 168) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0044248 k( 169) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0044248 k( 170) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0044248 k( 171) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0044248 k( 172) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0044248 k( 173) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0044248 k( 174) = ( 0.0430108 0.0430107 0.5000000), wk = 0.0044248 k( 175) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0044248 k( 176) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0044248 k( 177) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0044248 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044248 k( 179) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044248 k( 180) = ( 0.5000000 -0.0000000 0.4782609), wk = 0.0044248 k( 181) = ( 0.5000000 -0.0000000 0.4565217), wk = 0.0044248 k( 182) = ( 0.5000000 -0.0000000 0.4347826), wk = 0.0044248 k( 183) = ( 0.5000000 -0.0000000 0.4130435), wk = 0.0044248 k( 184) = ( 0.5000000 -0.0000000 0.3913044), wk = 0.0044248 k( 185) = ( 0.5000000 -0.0000000 0.3695652), wk = 0.0044248 k( 186) = ( 0.5000000 -0.0000000 0.3478261), wk = 0.0044248 k( 187) = ( 0.5000000 -0.0000000 0.3260870), wk = 0.0044248 k( 188) = ( 0.5000000 -0.0000000 0.3043478), wk = 0.0044248 k( 189) = ( 0.5000000 -0.0000000 0.2826087), wk = 0.0044248 k( 190) = ( 0.5000000 -0.0000000 0.2608696), wk = 0.0044248 k( 191) = ( 0.5000000 -0.0000000 0.2391304), wk = 0.0044248 k( 192) = ( 0.5000000 -0.0000000 0.2173913), wk = 0.0044248 k( 193) = ( 0.5000000 -0.0000000 0.1956522), wk = 0.0044248 k( 194) = ( 0.5000000 -0.0000000 0.1739130), wk = 0.0044248 k( 195) = ( 0.5000000 -0.0000000 0.1521739), wk = 0.0044248 k( 196) = ( 0.5000000 -0.0000000 0.1304348), wk = 0.0044248 k( 197) = ( 0.5000000 -0.0000000 0.1086957), wk = 0.0044248 k( 198) = ( 0.5000000 -0.0000000 0.0869565), wk = 0.0044248 k( 199) = ( 0.5000000 -0.0000000 0.0652174), wk = 0.0044248 k( 200) = ( 0.5000000 -0.0000000 0.0434783), wk = 0.0044248 k( 201) = ( 0.5000000 -0.0000000 0.0217391), wk = 0.0044248 k( 202) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0044248 k( 203) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044248 k( 204) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0044248 k( 205) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0044248 k( 206) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0044248 k( 207) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0044248 k( 208) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0044248 k( 209) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0044248 k( 210) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0044248 k( 211) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0044248 k( 212) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0044248 k( 213) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0044248 k( 214) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0044248 k( 215) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0044248 k( 216) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0044248 k( 217) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0044248 k( 218) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0044248 k( 219) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0044248 k( 220) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0044248 k( 221) = ( 0.3333333 0.3333333 0.3913043), wk = 0.0044248 k( 222) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0044248 k( 223) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0044248 k( 224) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0044248 k( 225) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0044248 k( 226) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044248 Dense grid: 75151 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 528, 60) NL pseudopotentials 1.37 Mb ( 264, 340) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2088) G-vector shells 0.01 Mb ( 1010) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.93 Mb ( 528, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.62 Mb ( 340, 2, 60) The potential is recalculated from file : ./AlSiTe3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.4 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 11.9 secs Computing kpt #: 8 total cpu time spent up to now is 13.2 secs Computing kpt #: 9 total cpu time spent up to now is 14.6 secs Computing kpt #: 10 total cpu time spent up to now is 15.9 secs Computing kpt #: 11 total cpu time spent up to now is 17.4 secs Computing kpt #: 12 total cpu time spent up to now is 19.1 secs Computing kpt #: 13 total cpu time spent up to now is 20.9 secs Computing kpt #: 14 total cpu time spent up to now is 22.8 secs Computing kpt #: 15 total cpu time spent up to now is 24.7 secs Computing kpt #: 16 total cpu time spent up to now is 26.6 secs Computing kpt #: 17 total cpu time spent up to now is 28.6 secs Computing kpt #: 18 total cpu time spent up to now is 30.3 secs Computing kpt #: 19 total cpu time spent up to now is 31.9 secs Computing kpt #: 20 total cpu time spent up to now is 33.3 secs Computing kpt #: 21 total cpu time spent up to now is 34.7 secs Computing kpt #: 22 total cpu time spent up to now is 36.1 secs Computing kpt #: 23 total cpu time spent up to now is 37.4 secs Computing kpt #: 24 total cpu time spent up to now is 38.8 secs Computing kpt #: 25 total cpu time spent up to now is 40.1 secs Computing kpt #: 26 total cpu time spent up to now is 41.4 secs Computing kpt #: 27 total cpu time spent up to now is 42.7 secs Computing kpt #: 28 total cpu time spent up to now is 44.0 secs Computing kpt #: 29 total cpu time spent up to now is 45.3 secs Computing kpt #: 30 total cpu time spent up to now is 46.7 secs Computing kpt #: 31 total cpu time spent up to now is 48.1 secs Computing kpt #: 32 total cpu time spent up to now is 49.6 secs Computing kpt #: 33 total cpu time spent up to now is 51.0 secs Computing kpt #: 34 total cpu time spent up to now is 52.4 secs Computing kpt #: 35 total cpu time spent up to now is 53.8 secs Computing kpt #: 36 total cpu time spent up to now is 55.2 secs Computing kpt #: 37 total cpu time spent up to now is 56.6 secs Computing kpt #: 38 total cpu time spent up to now is 58.0 secs Computing kpt #: 39 total cpu time spent up to now is 59.4 secs Computing kpt #: 40 total cpu time spent up to now is 60.9 secs Computing kpt #: 41 total cpu time spent up to now is 62.3 secs Computing kpt #: 42 total cpu time spent up to now is 64.0 secs Computing kpt #: 43 total cpu time spent up to now is 65.8 secs Computing kpt #: 44 total cpu time spent up to now is 68.2 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.0 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.0 secs Computing kpt #: 47 total cpu time spent up to now is 76.5 secs Computing kpt #: 48 total cpu time spent up to now is 78.5 secs Computing kpt #: 49 total cpu time spent up to now is 80.2 secs Computing kpt #: 50 total cpu time spent up to now is 81.9 secs Computing kpt #: 51 total cpu time spent up to now is 83.5 secs Computing kpt #: 52 total cpu time spent up to now is 85.2 secs Computing kpt #: 53 total cpu time spent up to now is 86.7 secs Computing kpt #: 54 total cpu time spent up to now is 88.2 secs Computing kpt #: 55 total cpu time spent up to now is 89.9 secs Computing kpt #: 56 total cpu time spent up to now is 91.9 secs Computing kpt #: 57 total cpu time spent up to now is 93.9 secs Computing kpt #: 58 total cpu time spent up to now is 96.1 secs Computing kpt #: 59 total cpu time spent up to now is 98.3 secs Computing kpt #: 60 total cpu time spent up to now is 100.4 secs Computing kpt #: 61 total cpu time spent up to now is 102.4 secs Computing kpt #: 62 total cpu time spent up to now is 104.5 secs Computing kpt #: 63 total cpu time spent up to now is 106.6 secs Computing kpt #: 64 total cpu time spent up to now is 109.0 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.0 secs Computing kpt #: 66 total cpu time spent up to now is 113.7 secs Computing kpt #: 67 total cpu time spent up to now is 115.1 secs Computing kpt #: 68 total cpu time spent up to now is 116.5 secs Computing kpt #: 69 total cpu time spent up to now is 117.8 secs Computing kpt #: 70 total cpu time spent up to now is 119.1 secs Computing kpt #: 71 total cpu time spent up to now is 120.4 secs Computing kpt #: 72 total cpu time spent up to now is 121.6 secs Computing kpt #: 73 total cpu time spent up to now is 122.9 secs Computing kpt #: 74 total cpu time spent up to now is 124.2 secs Computing kpt #: 75 total cpu time spent up to now is 125.5 secs Computing kpt #: 76 total cpu time spent up to now is 126.7 secs Computing kpt #: 77 total cpu time spent up to now is 127.9 secs Computing kpt #: 78 total cpu time spent up to now is 129.1 secs Computing kpt #: 79 total cpu time spent up to now is 130.2 secs Computing kpt #: 80 total cpu time spent up to now is 131.4 secs Computing kpt #: 81 total cpu time spent up to now is 132.6 secs Computing kpt #: 82 total cpu time spent up to now is 133.9 secs Computing kpt #: 83 total cpu time spent up to now is 135.1 secs Computing kpt #: 84 total cpu time spent up to now is 136.4 secs Computing kpt #: 85 total cpu time spent up to now is 137.6 secs Computing kpt #: 86 total cpu time spent up to now is 138.9 secs Computing kpt #: 87 total cpu time spent up to now is 140.2 secs Computing kpt #: 88 total cpu time spent up to now is 141.5 secs Computing kpt #: 89 total cpu time spent up to now is 142.8 secs Computing kpt #: 90 total cpu time spent up to now is 144.2 secs Computing kpt #: 91 total cpu time spent up to now is 145.7 secs Computing kpt #: 92 total cpu time spent up to now is 147.2 secs Computing kpt #: 93 total cpu time spent up to now is 148.8 secs Computing kpt #: 94 total cpu time spent up to now is 150.3 secs Computing kpt #: 95 total cpu time spent up to now is 152.1 secs Computing kpt #: 96 total cpu time spent up to now is 153.8 secs Computing kpt #: 97 total cpu time spent up to now is 155.7 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.2 secs Computing kpt #: 99 total cpu time spent up to now is 161.6 secs Computing kpt #: 100 total cpu time spent up to now is 163.8 secs Computing kpt #: 101 total cpu time spent up to now is 165.9 secs Computing kpt #: 102 total cpu time spent up to now is 167.9 secs Computing kpt #: 103 total cpu time spent up to now is 170.1 secs Computing kpt #: 104 total cpu time spent up to now is 172.4 secs Computing kpt #: 105 total cpu time spent up to now is 174.7 secs Computing kpt #: 106 total cpu time spent up to now is 177.2 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.2 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.3 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.4 secs Computing kpt #: 110 total cpu time spent up to now is 189.2 secs Computing kpt #: 111 total cpu time spent up to now is 191.5 secs Computing kpt #: 112 total cpu time spent up to now is 193.6 secs Computing kpt #: 113 total cpu time spent up to now is 195.5 secs Computing kpt #: 114 total cpu time spent up to now is 197.3 secs Computing kpt #: 115 total cpu time spent up to now is 199.0 secs Computing kpt #: 116 total cpu time spent up to now is 200.8 secs Computing kpt #: 117 total cpu time spent up to now is 202.5 secs Computing kpt #: 118 total cpu time spent up to now is 204.2 secs Computing kpt #: 119 total cpu time spent up to now is 205.9 secs Computing kpt #: 120 total cpu time spent up to now is 207.6 secs Computing kpt #: 121 total cpu time spent up to now is 209.2 secs Computing kpt #: 122 total cpu time spent up to now is 210.9 secs Computing kpt #: 123 total cpu time spent up to now is 212.6 secs Computing kpt #: 124 total cpu time spent up to now is 214.0 secs Computing kpt #: 125 total cpu time spent up to now is 215.5 secs Computing kpt #: 126 total cpu time spent up to now is 217.2 secs Computing kpt #: 127 total cpu time spent up to now is 218.5 secs Computing kpt #: 128 total cpu time spent up to now is 220.3 secs Computing kpt #: 129 total cpu time spent up to now is 222.0 secs Computing kpt #: 130 total cpu time spent up to now is 223.7 secs Computing kpt #: 131 total cpu time spent up to now is 225.4 secs Computing kpt #: 132 total cpu time spent up to now is 226.7 secs Computing kpt #: 133 total cpu time spent up to now is 228.1 secs Computing kpt #: 134 total cpu time spent up to now is 229.4 secs Computing kpt #: 135 total cpu time spent up to now is 230.7 secs Computing kpt #: 136 total cpu time spent up to now is 232.0 secs Computing kpt #: 137 total cpu time spent up to now is 233.4 secs Computing kpt #: 138 total cpu time spent up to now is 234.7 secs Computing kpt #: 139 total cpu time spent up to now is 236.2 secs Computing kpt #: 140 total cpu time spent up to now is 237.6 secs Computing kpt #: 141 total cpu time spent up to now is 239.3 secs Computing kpt #: 142 total cpu time spent up to now is 240.9 secs Computing kpt #: 143 total cpu time spent up to now is 242.8 secs Computing kpt #: 144 total cpu time spent up to now is 244.8 secs Computing kpt #: 145 total cpu time spent up to now is 247.3 secs Computing kpt #: 146 total cpu time spent up to now is 249.1 secs Computing kpt #: 147 total cpu time spent up to now is 250.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.7 secs Computing kpt #: 149 total cpu time spent up to now is 255.9 secs Computing kpt #: 150 total cpu time spent up to now is 257.7 secs Computing kpt #: 151 total cpu time spent up to now is 259.7 secs Computing kpt #: 152 total cpu time spent up to now is 261.4 secs Computing kpt #: 153 total cpu time spent up to now is 263.3 secs Computing kpt #: 154 total cpu time spent up to now is 265.3 secs Computing kpt #: 155 total cpu time spent up to now is 267.4 secs Computing kpt #: 156 total cpu time spent up to now is 269.2 secs Computing kpt #: 157 total cpu time spent up to now is 271.0 secs Computing kpt #: 158 total cpu time spent up to now is 272.8 secs Computing kpt #: 159 total cpu time spent up to now is 274.5 secs Computing kpt #: 160 total cpu time spent up to now is 276.3 secs Computing kpt #: 161 total cpu time spent up to now is 278.1 secs Computing kpt #: 162 total cpu time spent up to now is 279.9 secs Computing kpt #: 163 total cpu time spent up to now is 282.0 secs Computing kpt #: 164 total cpu time spent up to now is 283.9 secs Computing kpt #: 165 total cpu time spent up to now is 285.7 secs Computing kpt #: 166 total cpu time spent up to now is 287.5 secs Computing kpt #: 167 total cpu time spent up to now is 289.4 secs Computing kpt #: 168 total cpu time spent up to now is 291.2 secs Computing kpt #: 169 total cpu time spent up to now is 293.0 secs Computing kpt #: 170 total cpu time spent up to now is 294.7 secs Computing kpt #: 171 total cpu time spent up to now is 296.5 secs Computing kpt #: 172 total cpu time spent up to now is 298.3 secs Computing kpt #: 173 total cpu time spent up to now is 300.3 secs Computing kpt #: 174 total cpu time spent up to now is 302.5 secs Computing kpt #: 175 total cpu time spent up to now is 304.8 secs Computing kpt #: 176 total cpu time spent up to now is 307.0 secs Computing kpt #: 177 total cpu time spent up to now is 309.1 secs Computing kpt #: 178 total cpu time spent up to now is 311.2 secs Computing kpt #: 179 total cpu time spent up to now is 313.1 secs Computing kpt #: 180 total cpu time spent up to now is 314.4 secs Computing kpt #: 181 total cpu time spent up to now is 315.8 secs Computing kpt #: 182 total cpu time spent up to now is 317.2 secs Computing kpt #: 183 total cpu time spent up to now is 318.6 secs Computing kpt #: 184 total cpu time spent up to now is 320.0 secs Computing kpt #: 185 total cpu time spent up to now is 321.7 secs Computing kpt #: 186 total cpu time spent up to now is 323.2 secs Computing kpt #: 187 total cpu time spent up to now is 324.6 secs Computing kpt #: 188 total cpu time spent up to now is 326.1 secs Computing kpt #: 189 total cpu time spent up to now is 327.5 secs Computing kpt #: 190 total cpu time spent up to now is 329.0 secs Computing kpt #: 191 total cpu time spent up to now is 330.4 secs Computing kpt #: 192 total cpu time spent up to now is 331.7 secs Computing kpt #: 193 total cpu time spent up to now is 333.0 secs Computing kpt #: 194 total cpu time spent up to now is 334.3 secs Computing kpt #: 195 total cpu time spent up to now is 335.6 secs Computing kpt #: 196 total cpu time spent up to now is 337.0 secs Computing kpt #: 197 total cpu time spent up to now is 338.3 secs Computing kpt #: 198 total cpu time spent up to now is 339.6 secs Computing kpt #: 199 total cpu time spent up to now is 340.9 secs Computing kpt #: 200 total cpu time spent up to now is 342.2 secs Computing kpt #: 201 total cpu time spent up to now is 343.6 secs Computing kpt #: 202 total cpu time spent up to now is 344.9 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 347.8 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 350.7 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.7 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.6 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.4 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.3 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.2 secs Computing kpt #: 210 total cpu time spent up to now is 368.1 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.0 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.0 secs Computing kpt #: 213 total cpu time spent up to now is 376.5 secs Computing kpt #: 214 total cpu time spent up to now is 378.6 secs Computing kpt #: 215 total cpu time spent up to now is 380.6 secs Computing kpt #: 216 total cpu time spent up to now is 382.6 secs Computing kpt #: 217 total cpu time spent up to now is 384.8 secs Computing kpt #: 218 total cpu time spent up to now is 387.1 secs Computing kpt #: 219 total cpu time spent up to now is 389.5 secs Computing kpt #: 220 total cpu time spent up to now is 392.2 secs Computing kpt #: 221 total cpu time spent up to now is 394.6 secs Computing kpt #: 222 total cpu time spent up to now is 396.7 secs Computing kpt #: 223 total cpu time spent up to now is 399.4 secs Computing kpt #: 224 total cpu time spent up to now is 401.3 secs Computing kpt #: 225 total cpu time spent up to now is 403.1 secs Computing kpt #: 226 total cpu time spent up to now is 404.8 secs ethr = 2.00E-08, avg # of iterations = 50.6 total cpu time spent up to now is 404.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9441 PWs) bands (ev): -7.7681 -7.7681 -6.6186 -6.6186 -5.3460 -5.3460 -5.3418 -5.3418 -5.1333 -5.1333 -5.1308 -5.1308 -2.7815 -2.7815 -0.9129 -0.9129 -0.4387 -0.4387 0.3737 0.3737 0.9130 0.9130 1.2204 1.2204 1.2363 1.2363 1.5195 1.5195 2.6373 2.6373 3.4358 3.4358 3.4583 3.4583 3.4899 3.4899 3.6801 3.6801 3.7007 3.7007 4.2435 4.2435 4.6136 4.6136 5.0032 5.0032 5.0065 5.0065 5.1793 5.1793 6.5480 6.5480 6.6713 6.6713 8.4270 8.4270 9.0154 9.0154 9.1599 9.1599 k = 0.0185 0.0107-0.0000 ( 9473 PWs) bands (ev): -7.7673 -7.7673 -6.6180 -6.6180 -5.3484 -5.3484 -5.3437 -5.3437 -5.1333 -5.1333 -5.1308 -5.1308 -2.7784 -2.7784 -0.9124 -0.9124 -0.4376 -0.4376 0.3673 0.3673 0.9211 0.9211 1.2124 1.2124 1.2492 1.2492 1.5191 1.5191 2.6419 2.6419 3.3726 3.3726 3.4646 3.4646 3.5242 3.5242 3.6919 3.6919 3.7121 3.7121 4.2395 4.2395 4.6043 4.6043 4.9950 4.9950 5.0046 5.0046 5.1766 5.1766 6.5604 6.5604 6.6743 6.6743 8.4348 8.4348 9.0150 9.0150 9.1579 9.1579 k = 0.0370 0.0214-0.0000 ( 9459 PWs) bands (ev): -7.7648 -7.7648 -6.6162 -6.6162 -5.3573 -5.3573 -5.3479 -5.3479 -5.1337 -5.1337 -5.1305 -5.1305 -2.7688 -2.7688 -0.9109 -0.9109 -0.4345 -0.4345 0.3490 0.3490 0.9441 0.9441 1.2028 1.2028 1.2736 1.2736 1.5181 1.5181 2.6552 2.6552 3.2912 3.2912 3.4386 3.4386 3.5664 3.5664 3.7212 3.7212 3.7500 3.7500 4.2271 4.2271 4.5771 4.5771 4.9687 4.9687 5.0023 5.0023 5.1686 5.1686 6.5960 6.5960 6.6831 6.6831 8.4575 8.4575 9.0130 9.0130 9.1529 9.1529 k = 0.0556 0.0321-0.0000 ( 9439 PWs) bands (ev): -7.7608 -7.7608 -6.6132 -6.6132 -5.3726 -5.3726 -5.3537 -5.3537 -5.1349 -5.1349 -5.1299 -5.1299 -2.7532 -2.7532 -0.9085 -0.9085 -0.4293 -0.4293 0.3221 0.3221 0.9788 0.9788 1.1952 1.1952 1.3055 1.3055 1.5175 1.5175 2.6760 2.6760 3.2076 3.2076 3.4047 3.4047 3.5865 3.5865 3.7617 3.7617 3.8100 3.8100 4.2054 4.2054 4.5341 4.5341 4.9294 4.9294 4.9981 4.9981 5.1560 5.1560 6.6504 6.6504 6.6982 6.6982 8.4932 8.4932 9.0078 9.0078 9.1481 9.1481 k = 0.0741 0.0428-0.0000 ( 9445 PWs) bands (ev): -7.7551 -7.7551 -6.6089 -6.6089 -5.3936 -5.3936 -5.3612 -5.3612 -5.1373 -5.1373 -5.1291 -5.1291 -2.7317 -2.7317 -0.9049 -0.9049 -0.4220 -0.4220 0.2895 0.2895 1.0212 1.0212 1.1893 1.1893 1.3450 1.3450 1.5185 1.5185 2.7025 2.7025 3.1242 3.1242 3.3691 3.3691 3.5925 3.5925 3.8077 3.8077 3.8810 3.8810 4.1730 4.1730 4.4791 4.4791 4.8822 4.8822 4.9910 4.9910 5.1403 5.1403 6.7074 6.7074 6.7300 6.7300 8.5389 8.5389 8.9968 8.9968 9.1479 9.1479 k = 0.0926 0.0535-0.0000 ( 9437 PWs) bands (ev): -7.7479 -7.7479 -6.6036 -6.6036 -5.4195 -5.4195 -5.3702 -5.3702 -5.1408 -5.1408 -5.1284 -5.1284 -2.7048 -2.7048 -0.9001 -0.9001 -0.4126 -0.4126 0.2542 0.2542 1.0664 1.0664 1.1861 1.1861 1.3915 1.3915 1.5231 1.5231 2.7310 2.7310 3.0436 3.0436 3.3350 3.3350 3.5914 3.5914 3.8548 3.8548 3.9529 3.9529 4.1290 4.1290 4.4185 4.4185 4.8313 4.8313 4.9803 4.9803 5.1235 5.1235 6.7356 6.7356 6.8043 6.8043 8.5906 8.5906 8.9793 8.9793 9.1553 9.1553 k = 0.1111 0.0642-0.0000 ( 9433 PWs) bands (ev): -7.7392 -7.7392 -6.5971 -6.5971 -5.4497 -5.4497 -5.3805 -5.3805 -5.1455 -5.1455 -5.1281 -5.1281 -2.6729 -2.6729 -0.8940 -0.8940 -0.4013 -0.4013 0.2179 0.2179 1.1056 1.1056 1.1922 1.1922 1.4427 1.4427 1.5343 1.5343 2.7544 2.7544 2.9708 2.9708 3.3046 3.3046 3.5867 3.5867 3.8991 3.8991 4.0078 4.0078 4.0833 4.0833 4.3620 4.3620 4.7802 4.7802 4.9654 4.9654 5.1074 5.1074 6.7624 6.7624 6.8880 6.8880 8.6438 8.6438 8.9567 8.9567 9.1703 9.1703 k = 0.1296 0.0748-0.0000 ( 9433 PWs) bands (ev): -7.7290 -7.7290 -6.5896 -6.5896 -5.4835 -5.4835 -5.3918 -5.3918 -5.1516 -5.1516 -5.1283 -5.1283 -2.6367 -2.6367 -0.8865 -0.8865 -0.3880 -0.3880 0.1823 0.1823 1.1224 1.1224 1.2221 1.2221 1.4904 1.4904 1.5607 1.5607 2.7557 2.7557 2.9199 2.9199 3.2798 3.2798 3.5799 3.5799 3.9323 3.9323 3.9756 3.9756 4.0978 4.0978 4.3261 4.3261 4.7315 4.7315 4.9460 4.9460 5.0932 5.0932 6.7911 6.7911 6.9732 6.9732 8.6941 8.6941 8.9320 8.9320 9.1906 9.1906 k = 0.1481 0.0855-0.0000 ( 9429 PWs) bands (ev): -7.7174 -7.7174 -6.5811 -6.5811 -5.5203 -5.5203 -5.4038 -5.4038 -5.1590 -5.1590 -5.1291 -5.1291 -2.5966 -2.5966 -0.8775 -0.8775 -0.3728 -0.3728 0.1483 0.1483 1.1196 1.1196 1.2726 1.2726 1.5230 1.5230 1.6130 1.6130 2.7160 2.7160 2.9063 2.9063 3.2631 3.2631 3.5714 3.5714 3.8907 3.8907 3.9455 3.9455 4.1283 4.1283 4.3323 4.3323 4.6868 4.6868 4.9227 4.9227 5.0814 5.0814 6.8210 6.8210 7.0562 7.0562 8.7374 8.7374 8.9084 8.9084 9.2114 9.2114 k = 0.1667 0.0962-0.0000 ( 9417 PWs) bands (ev): -7.7044 -7.7044 -6.5716 -6.5716 -5.5597 -5.5597 -5.4163 -5.4163 -5.1677 -5.1677 -5.1306 -5.1306 -2.5534 -2.5534 -0.8669 -0.8669 -0.3558 -0.3558 0.1167 0.1167 1.1095 1.1095 1.3312 1.3312 1.5468 1.5468 1.6837 1.6837 2.6493 2.6493 2.9117 2.9117 3.2563 3.2563 3.5604 3.5604 3.8023 3.8023 3.9134 3.9134 4.1589 4.1589 4.3768 4.3768 4.6473 4.6473 4.8964 4.8964 5.0718 5.0718 6.8510 6.8510 7.1345 7.1345 8.7705 8.7705 8.8892 8.8892 9.2264 9.2264 k = 0.1852 0.1069-0.0000 ( 9417 PWs) bands (ev): -7.6903 -7.6903 -6.5613 -6.5613 -5.6011 -5.6011 -5.4291 -5.4291 -5.1777 -5.1777 -5.1329 -5.1329 -2.5076 -2.5076 -0.8546 -0.8546 -0.3373 -0.3373 0.0881 0.0881 1.0969 1.0969 1.3929 1.3929 1.5704 1.5704 1.7631 1.7631 2.5736 2.5736 2.9154 2.9154 3.2593 3.2593 3.5426 3.5426 3.7177 3.7177 3.8501 3.8501 4.2000 4.2000 4.4358 4.4358 4.6144 4.6144 4.8687 4.8687 5.0643 5.0643 6.8799 6.8799 7.2059 7.2059 8.7897 8.7897 8.8787 8.8787 9.2298 9.2298 k = 0.2037 0.1176-0.0000 ( 9402 PWs) bands (ev): -7.6749 -7.6749 -6.5503 -6.5503 -5.6440 -5.6440 -5.4418 -5.4418 -5.1888 -5.1888 -5.1358 -5.1358 -2.4600 -2.4600 -0.8409 -0.8409 -0.3175 -0.3175 0.0633 0.0633 1.0839 1.0839 1.4547 1.4547 1.5968 1.5968 1.8471 1.8471 2.4955 2.4955 2.9110 2.9110 3.2679 3.2679 3.5064 3.5064 3.6542 3.6542 3.7729 3.7729 4.2473 4.2473 4.4902 4.4902 4.5930 4.5930 4.8420 4.8420 5.0587 5.0587 6.9062 6.9062 7.2691 7.2691 8.7927 8.7927 8.8793 8.8793 9.2183 9.2183 k = 0.2222 0.1283-0.0000 ( 9396 PWs) bands (ev): -7.6586 -7.6586 -6.5386 -6.5386 -5.6878 -5.6878 -5.4544 -5.4544 -5.2010 -5.2010 -5.1394 -5.1394 -2.4112 -2.4112 -0.8256 -0.8256 -0.2967 -0.2967 0.0429 0.0429 1.0715 1.0715 1.5124 1.5124 1.6292 1.6292 1.9330 1.9330 2.4176 2.4176 2.8989 2.8989 3.2737 3.2737 3.4458 3.4458 3.6159 3.6159 3.7007 3.7007 4.2958 4.2958 4.5141 4.5141 4.6008 4.6008 4.8213 4.8213 5.0551 5.0551 6.9282 6.9282 7.3234 7.3234 8.7826 8.7826 8.8862 8.8862 9.1912 9.1912 k = 0.2407 0.1390-0.0000 ( 9404 PWs) bands (ev): -7.6414 -7.6414 -6.5264 -6.5264 -5.7321 -5.7321 -5.4667 -5.4667 -5.2140 -5.2140 -5.1435 -5.1435 -2.3619 -2.3619 -0.8090 -0.8090 -0.2757 -0.2757 0.0277 0.0277 1.0604 1.0604 1.5596 1.5596 1.6729 1.6729 2.0165 2.0165 2.3431 2.3431 2.8808 2.8808 3.2640 3.2640 3.3810 3.3810 3.5647 3.5647 3.6677 3.6677 4.3409 4.3409 4.5085 4.5085 4.6273 4.6273 4.8169 4.8169 5.0537 5.0537 6.9438 6.9438 7.3686 7.3686 8.7608 8.7608 8.8933 8.8933 9.1465 9.1465 k = 0.2593 0.1497-0.0000 ( 9400 PWs) bands (ev): -7.6235 -7.6235 -6.5139 -6.5139 -5.7765 -5.7765 -5.4786 -5.4786 -5.2279 -5.2279 -5.1481 -5.1481 -2.3128 -2.3128 -0.7912 -0.7912 -0.2553 -0.2553 0.0188 0.0188 1.0514 1.0514 1.5922 1.5922 1.7302 1.7302 2.0846 2.0846 2.2838 2.2838 2.8586 2.8586 3.2276 3.2276 3.3274 3.3274 3.5016 3.5016 3.6704 3.6704 4.3754 4.3754 4.5048 4.5048 4.6366 4.6366 4.8394 4.8394 5.0551 5.0551 6.9513 6.9513 7.4052 7.4052 8.7225 8.7225 8.8982 8.8982 9.0906 9.0906 k = 0.2778 0.1604-0.0000 ( 9396 PWs) bands (ev): -7.6051 -7.6051 -6.5011 -6.5011 -5.8204 -5.8204 -5.4898 -5.4898 -5.2423 -5.2423 -5.1529 -5.1529 -2.2644 -2.2644 -0.7725 -0.7725 -0.2366 -0.2366 0.0172 0.0172 1.0449 1.0449 1.6131 1.6131 1.7964 1.7964 2.0935 2.0935 2.2819 2.2819 2.8333 2.8333 3.1747 3.1747 3.2727 3.2727 3.4558 3.4558 3.6827 3.6827 4.3894 4.3894 4.5174 4.5174 4.6297 4.6297 4.8823 4.8823 5.0601 5.0601 6.9485 6.9485 7.4341 7.4341 8.6646 8.6646 8.9003 8.9003 9.0495 9.0495 k = 0.2963 0.1711-0.0000 ( 9388 PWs) bands (ev): -7.5864 -7.5864 -6.4883 -6.4883 -5.8633 -5.8633 -5.5003 -5.5003 -5.2570 -5.2570 -5.1580 -5.1580 -2.2176 -2.2176 -0.7532 -0.7532 -0.2209 -0.2209 0.0242 0.0242 1.0411 1.0411 1.6258 1.6258 1.8649 1.8649 2.0384 2.0384 2.3418 2.3418 2.8056 2.8056 3.1214 3.1214 3.2091 3.2091 3.4315 3.4315 3.6940 3.6940 4.3835 4.3835 4.5397 4.5397 4.6259 4.6259 4.9309 4.9309 5.0711 5.0711 6.9339 6.9339 7.4565 7.4565 8.5935 8.5935 8.8990 8.8990 9.0080 9.0080 k = 0.3148 0.1818-0.0000 ( 9388 PWs) bands (ev): -7.5676 -7.5676 -6.4756 -6.4756 -5.9049 -5.9049 -5.5099 -5.5099 -5.2720 -5.2720 -5.1631 -5.1631 -2.1728 -2.1728 -0.7336 -0.7336 -0.2087 -0.2087 0.0402 0.0402 1.0403 1.0403 1.6318 1.6318 1.9106 1.9106 1.9871 1.9871 2.4151 2.4151 2.7764 2.7764 3.0702 3.0702 3.1503 3.1503 3.4193 3.4193 3.6986 3.6986 4.3652 4.3652 4.5538 4.5538 4.6428 4.6428 4.9744 4.9744 5.0917 5.0917 6.9068 6.9068 7.4736 7.4736 8.5199 8.5199 8.8897 8.8897 8.9514 8.9514 k = 0.3333 0.1925-0.0000 ( 9388 PWs) bands (ev): -7.5491 -7.5491 -6.4633 -6.4633 -5.9446 -5.9446 -5.5187 -5.5187 -5.2868 -5.2868 -5.1681 -5.1681 -2.1306 -2.1306 -0.7142 -0.7142 -0.2001 -0.2001 0.0649 0.0649 1.0426 1.0426 1.6320 1.6320 1.8542 1.8542 2.0320 2.0320 2.4819 2.4819 2.7486 2.7486 3.0178 3.0178 3.1113 3.1113 3.4131 3.4131 3.6940 3.6940 4.3378 4.3378 4.5623 4.5623 4.6769 4.6769 5.0067 5.0067 5.1254 5.1254 6.8677 6.8677 7.4864 7.4864 8.4514 8.4514 8.8509 8.8509 8.9139 8.9139 k = 0.3519 0.2031-0.0000 ( 9386 PWs) bands (ev): -7.5311 -7.5311 -6.4514 -6.4514 -5.9819 -5.9819 -5.5265 -5.5265 -5.3014 -5.3014 -5.1730 -5.1730 -2.0916 -2.0916 -0.6954 -0.6954 -0.1943 -0.1943 0.0971 0.0971 1.0477 1.0477 1.6261 1.6261 1.7711 1.7711 2.1013 2.1013 2.5282 2.5282 2.7295 2.7295 2.9699 2.9699 3.0931 3.0931 3.4105 3.4105 3.6796 3.6796 4.3035 4.3035 4.5754 4.5754 4.7151 4.7151 5.0297 5.0297 5.1689 5.1689 6.8182 6.8182 7.4958 7.4958 8.3917 8.3917 8.7817 8.7817 8.8999 8.8999 k = 0.3704 0.2138-0.0000 ( 9390 PWs) bands (ev): -7.5139 -7.5139 -6.4404 -6.4404 -6.0164 -6.0164 -5.5333 -5.5333 -5.3153 -5.3153 -5.1775 -5.1775 -2.0563 -2.0563 -0.6775 -0.6775 -0.1903 -0.1903 0.1352 0.1352 1.0556 1.0556 1.6094 1.6094 1.6922 1.6922 2.1698 2.1698 2.5401 2.5401 2.7275 2.7275 2.9378 2.9378 3.0897 3.0897 3.4107 3.4107 3.6566 3.6566 4.2649 4.2649 4.5947 4.5947 4.7512 4.7512 5.0487 5.0487 5.2163 5.2163 6.7612 6.7612 7.5021 7.5021 8.3418 8.3418 8.7052 8.7052 8.8900 8.8900 k = 0.3889 0.2245-0.0000 ( 9378 PWs) bands (ev): -7.4980 -7.4980 -6.4303 -6.4303 -6.0475 -6.0475 -5.5391 -5.5391 -5.3282 -5.3282 -5.1817 -5.1817 -2.0249 -2.0249 -0.6610 -0.6610 -0.1876 -0.1876 0.1773 0.1773 1.0657 1.0657 1.5613 1.5613 1.6436 1.6436 2.2316 2.2316 2.5239 2.5239 2.7334 2.7334 2.9295 2.9295 3.0962 3.0962 3.4131 3.4131 3.6275 3.6275 4.2251 4.2251 4.6180 4.6180 4.7822 4.7822 5.0670 5.0670 5.2633 5.2633 6.7006 6.7006 7.5056 7.5056 8.3020 8.3020 8.6284 8.6284 8.8809 8.8809 k = 0.4074 0.2352-0.0000 ( 9390 PWs) bands (ev): -7.4837 -7.4837 -6.4214 -6.4214 -6.0748 -6.0748 -5.5439 -5.5439 -5.3399 -5.3399 -5.1853 -5.1853 -1.9979 -1.9979 -0.6463 -0.6463 -0.1854 -0.1854 0.2215 0.2215 1.0775 1.0775 1.4861 1.4861 1.6245 1.6245 2.2790 2.2790 2.5040 2.5040 2.7313 2.7313 2.9440 2.9440 3.1088 3.1088 3.4172 3.4172 3.5951 3.5951 4.1868 4.1868 4.6425 4.6425 4.8067 4.8067 5.0853 5.0853 5.3075 5.3075 6.6405 6.6405 7.5064 7.5064 8.2718 8.2718 8.5549 8.5549 8.8723 8.8723 k = 0.4259 0.2459-0.0000 ( 9378 PWs) bands (ev): -7.4713 -7.4713 -6.4138 -6.4138 -6.0979 -6.0979 -5.5477 -5.5477 -5.3501 -5.3501 -5.1884 -5.1884 -1.9755 -1.9755 -0.6337 -0.6337 -0.1837 -0.1837 0.2654 0.2654 1.0904 1.0904 1.4094 1.4094 1.6132 1.6132 2.3003 2.3003 2.5031 2.5031 2.7204 2.7204 2.9698 2.9698 3.1240 3.1240 3.4222 3.4222 3.5624 3.5624 4.1524 4.1524 4.6660 4.6660 4.8245 4.8245 5.1030 5.1030 5.3472 5.3472 6.5848 6.5848 7.5049 7.5049 8.2510 8.2510 8.4877 8.4877 8.8647 8.8647 k = 0.4444 0.2566-0.0000 ( 9388 PWs) bands (ev): -7.4613 -7.4613 -6.4078 -6.4078 -6.1162 -6.1162 -5.5506 -5.5506 -5.3583 -5.3583 -5.1908 -5.1908 -1.9579 -1.9579 -0.6236 -0.6236 -0.1824 -0.1824 0.3060 0.3060 1.1038 1.1038 1.3397 1.3397 1.6050 1.6050 2.2952 2.2952 2.5270 2.5270 2.7052 2.7052 2.9962 2.9962 3.1388 3.1388 3.4276 3.4276 3.5324 3.5324 4.1238 4.1238 4.6864 4.6864 4.8364 4.8364 5.1185 5.1185 5.3806 5.3806 6.5374 6.5374 7.5018 7.5018 8.2394 8.2394 8.4291 8.4291 8.8584 8.8584 k = 0.4630 0.2673-0.0000 ( 9384 PWs) bands (ev): -7.4538 -7.4538 -6.4034 -6.4034 -6.1296 -6.1296 -5.5526 -5.5526 -5.3645 -5.3645 -5.1926 -5.1926 -1.9453 -1.9453 -0.6162 -0.6162 -0.1814 -0.1814 0.3396 0.3396 1.1173 1.1173 1.2818 1.2818 1.5991 1.5991 2.2795 2.2795 2.5621 2.5621 2.6874 2.6874 3.0178 3.0178 3.1503 3.1503 3.4335 3.4335 3.5071 3.5071 4.1026 4.1026 4.7022 4.7022 4.8435 4.8435 5.1306 5.1306 5.4062 5.4062 6.5012 6.5012 7.4982 7.4982 8.2362 8.2362 8.3813 8.3813 8.8538 8.8538 k = 0.4815 0.2780-0.0000 ( 9384 PWs) bands (ev): -7.4493 -7.4493 -6.4007 -6.4007 -6.1378 -6.1378 -5.5537 -5.5537 -5.3682 -5.3682 -5.1937 -5.1937 -1.9377 -1.9377 -0.6117 -0.6117 -0.1807 -0.1807 0.3622 0.3622 1.1295 1.1295 1.2407 1.2407 1.5956 1.5956 2.2662 2.2662 2.5958 2.5958 2.6679 2.6679 3.0318 3.0318 3.1571 3.1571 3.4399 3.4399 3.4883 3.4883 4.0896 4.0896 4.7123 4.7123 4.8472 4.8472 5.1382 5.1382 5.4222 5.4222 6.4785 6.4785 7.4953 7.4953 8.2388 8.2388 8.3477 8.3477 8.8509 8.8509 k = 0.5000 0.2887-0.0000 ( 9386 PWs) bands (ev): -7.4477 -7.4477 -6.3999 -6.3999 -6.1405 -6.1405 -5.5541 -5.5541 -5.3695 -5.3695 -5.1941 -5.1941 -1.9351 -1.9351 -0.6102 -0.6102 -0.1805 -0.1805 0.3702 0.3702 1.1355 1.1355 1.2247 1.2247 1.5944 1.5944 2.2613 2.2613 2.6142 2.6142 2.6549 2.6549 3.0366 3.0366 3.1593 3.1593 3.4436 3.4436 3.4804 3.4804 4.0852 4.0852 4.7158 4.7158 4.8483 4.8483 5.1408 5.1408 5.4277 5.4277 6.4708 6.4708 7.4942 7.4942 8.2413 8.2413 8.3349 8.3349 8.8499 8.8499 k = 0.5000 0.2887-0.0000 ( 9386 PWs) bands (ev): -7.4477 -7.4477 -6.3999 -6.3999 -6.1405 -6.1405 -5.5541 -5.5541 -5.3695 -5.3695 -5.1941 -5.1941 -1.9351 -1.9351 -0.6102 -0.6102 -0.1805 -0.1805 0.3702 0.3702 1.1355 1.1355 1.2247 1.2247 1.5944 1.5944 2.2613 2.2613 2.6142 2.6142 2.6549 2.6549 3.0366 3.0366 3.1593 3.1593 3.4436 3.4436 3.4804 3.4804 4.0852 4.0852 4.7158 4.7158 4.8483 4.8483 5.1408 5.1408 5.4277 5.4277 6.4708 6.4708 7.4942 7.4942 8.2413 8.2413 8.3349 8.3349 8.8499 8.8499 k = 0.4896 0.3067-0.0000 ( 9376 PWs) bands (ev): -7.4473 -7.4473 -6.3996 -6.3996 -6.1398 -6.1398 -5.5586 -5.5586 -5.3674 -5.3674 -5.1939 -5.1939 -1.9332 -1.9332 -0.6084 -0.6084 -0.1795 -0.1795 0.3688 0.3688 1.1275 1.1275 1.2294 1.2294 1.5937 1.5937 2.2600 2.2600 2.5956 2.5956 2.6651 2.6651 3.0355 3.0355 3.1686 3.1686 3.4419 3.4419 3.4912 3.4912 4.0862 4.0862 4.7153 4.7153 4.8487 4.8487 5.1414 5.1414 5.4273 5.4273 6.4713 6.4713 7.4881 7.4881 8.2257 8.2257 8.3389 8.3389 8.8377 8.8377 k = 0.4792 0.3248-0.0000 ( 9374 PWs) bands (ev): -7.4462 -7.4462 -6.3987 -6.3987 -6.1379 -6.1379 -5.5714 -5.5714 -5.3619 -5.3619 -5.1936 -5.1936 -1.9277 -1.9277 -0.6033 -0.6033 -0.1766 -0.1766 0.3645 0.3645 1.1077 1.1077 1.2397 1.2397 1.5913 1.5913 2.2560 2.2560 2.5595 2.5595 2.6774 2.6774 3.0338 3.0338 3.1935 3.1935 3.4440 3.4440 3.5163 3.5163 4.0890 4.0890 4.7136 4.7136 4.8499 4.8499 5.1432 5.1432 5.4262 5.4262 6.4730 6.4730 7.4700 7.4700 8.1865 8.1865 8.3440 8.3440 8.8041 8.8041 k = 0.4688 0.3428-0.0000 ( 9374 PWs) bands (ev): -7.4443 -7.4443 -6.3972 -6.3972 -6.1346 -6.1346 -5.5909 -5.5909 -5.3540 -5.3540 -5.1931 -5.1931 -1.9186 -1.9186 -0.5950 -0.5950 -0.1715 -0.1715 0.3573 0.3573 1.0819 1.0819 1.2500 1.2500 1.5873 1.5873 2.2490 2.2490 2.5170 2.5170 2.6845 2.6845 3.0331 3.0331 3.2288 3.2288 3.4559 3.4559 3.5495 3.5495 4.0935 4.0935 4.7105 4.7105 4.8516 4.8516 5.1465 5.1465 5.4245 5.4245 6.4759 6.4759 7.4404 7.4404 8.1333 8.1333 8.3417 8.3417 8.7576 8.7576 k = 0.4583 0.3608-0.0000 ( 9378 PWs) bands (ev): -7.4417 -7.4417 -6.3953 -6.3953 -6.1300 -6.1300 -5.6154 -5.6154 -5.3451 -5.3451 -5.1928 -5.1928 -1.9063 -1.9063 -0.5838 -0.5838 -0.1644 -0.1644 0.3474 0.3474 1.0531 1.0531 1.2581 1.2581 1.5815 1.5815 2.2386 2.2386 2.4717 2.4717 2.6881 2.6881 3.0334 3.0334 3.2702 3.2702 3.4787 3.4787 3.5883 3.5883 4.0995 4.0995 4.7056 4.7056 4.8536 4.8536 5.1516 5.1516 5.4225 5.4225 6.4799 6.4799 7.4000 7.4000 8.0714 8.0714 8.3278 8.3278 8.7088 8.7088 k = 0.4479 0.3789-0.0000 ( 9380 PWs) bands (ev): -7.4385 -7.4385 -6.3928 -6.3928 -6.1241 -6.1241 -5.6436 -5.6436 -5.3360 -5.3360 -5.1928 -5.1928 -1.8911 -1.8911 -0.5701 -0.5701 -0.1551 -0.1551 0.3349 0.3349 1.0233 1.0233 1.2629 1.2629 1.5735 1.5735 2.2249 2.2249 2.4255 2.4255 2.6910 2.6910 3.0340 3.0340 3.3150 3.3150 3.5111 3.5111 3.6318 3.6318 4.1065 4.1065 4.6986 4.6986 4.8552 4.8552 5.1585 5.1585 5.4205 5.4205 6.4850 6.4850 7.3499 7.3499 8.0048 8.0048 8.2991 8.2991 8.6675 8.6675 k = 0.4375 0.3969-0.0000 ( 9372 PWs) bands (ev): -7.4347 -7.4347 -6.3900 -6.3900 -6.1170 -6.1170 -5.6744 -5.6744 -5.3270 -5.3270 -5.1936 -5.1936 -1.8735 -1.8735 -0.5545 -0.5545 -0.1435 -0.1435 0.3200 0.3200 0.9935 0.9935 1.2646 1.2646 1.5632 1.5632 2.2081 2.2081 2.3800 2.3800 2.6954 2.6954 3.0344 3.0344 3.3617 3.3617 3.5502 3.5502 3.6793 3.6793 4.1142 4.1142 4.6893 4.6893 4.8559 4.8559 5.1675 5.1675 5.4189 5.4189 6.4913 6.4913 7.2916 7.2916 7.9363 7.9363 8.2548 8.2548 8.6401 8.6401 k = 0.4271 0.4150-0.0000 ( 9396 PWs) bands (ev): -7.4304 -7.4304 -6.3868 -6.3868 -6.1085 -6.1085 -5.7069 -5.7069 -5.3183 -5.3183 -5.1952 -5.1952 -1.8541 -1.8541 -0.5375 -0.5375 -0.1296 -0.1296 0.3028 0.3028 0.9646 0.9646 1.2636 1.2636 1.5505 1.5505 2.1888 2.1888 2.3360 2.3360 2.7028 2.7028 3.0344 3.0344 3.4095 3.4095 3.5925 3.5925 3.7305 3.7305 4.1222 4.1222 4.6776 4.6776 4.8549 4.8549 5.1780 5.1780 5.4185 5.4185 6.4989 6.4989 7.2267 7.2267 7.8685 7.8685 8.1984 8.1984 8.6277 8.6277 k = 0.4167 0.4330-0.0000 ( 9400 PWs) bands (ev): -7.4259 -7.4259 -6.3834 -6.3834 -6.0987 -6.0987 -5.7404 -5.7404 -5.3099 -5.3099 -5.1979 -5.1979 -1.8335 -1.8335 -0.5197 -0.5197 -0.1132 -0.1132 0.2835 0.2835 0.9370 0.9370 1.2607 1.2607 1.5355 1.5355 2.1683 2.1683 2.2941 2.2941 2.7136 2.7136 3.0340 3.0340 3.4576 3.4576 3.6350 3.6350 3.7848 3.7848 4.1299 4.1299 4.6638 4.6638 4.8519 4.8519 5.1894 5.1894 5.4200 5.4200 6.5077 6.5077 7.1572 7.1572 7.8036 7.8036 8.1355 8.1355 8.6277 8.6277 k = 0.4062 0.4511-0.0000 ( 9404 PWs) bands (ev): -7.4211 -7.4211 -6.3798 -6.3798 -6.0877 -6.0877 -5.7743 -5.7743 -5.3019 -5.3019 -5.2016 -5.2016 -1.8126 -1.8126 -0.5019 -0.5019 -0.0943 -0.0943 0.2625 0.2625 0.9113 0.9113 1.2567 1.2567 1.5183 1.5183 2.1479 2.1479 2.2548 2.2548 2.7279 2.7279 3.0328 3.0328 3.5053 3.5053 3.6754 3.6754 3.8409 3.8409 4.1370 4.1370 4.6482 4.6482 4.8467 4.8467 5.2006 5.2006 5.4240 5.4240 6.5181 6.5181 7.0849 7.0849 7.7431 7.7431 8.0719 8.0719 8.6370 8.6370 k = 0.3958 0.4691-0.0000 ( 9404 PWs) bands (ev): -7.4164 -7.4164 -6.3763 -6.3763 -6.0754 -6.0754 -5.8079 -5.8079 -5.2940 -5.2940 -5.2064 -5.2064 -1.7920 -1.7920 -0.4846 -0.4846 -0.0731 -0.0731 0.2402 0.2402 0.8876 0.8876 1.2528 1.2528 1.4995 1.4995 2.1287 2.1287 2.2185 2.2185 2.7451 2.7451 3.0306 3.0306 3.5513 3.5513 3.7126 3.7126 3.8969 3.8969 4.1430 4.1430 4.6314 4.6314 4.8394 4.8394 5.2104 5.2104 5.4309 5.4309 6.5301 6.5301 7.0120 7.0120 7.6885 7.6885 8.0118 8.0118 8.6535 8.6535 k = 0.3854 0.4871-0.0000 ( 9412 PWs) bands (ev): -7.4118 -7.4118 -6.3729 -6.3729 -6.0618 -6.0618 -5.8408 -5.8408 -5.2863 -5.2863 -5.2122 -5.2122 -1.7726 -1.7726 -0.4686 -0.4686 -0.0496 -0.0496 0.2167 0.2167 0.8660 0.8660 1.2499 1.2499 1.4796 1.4796 2.1119 2.1119 2.1856 2.1856 2.7645 2.7645 3.0269 3.0269 3.5946 3.5946 3.7459 3.7459 3.9504 3.9504 4.1476 4.1476 4.6144 4.6144 4.8304 4.8304 5.2181 5.2181 5.4405 5.4405 6.5440 6.5440 6.9406 6.9406 7.6407 7.6407 7.9584 7.9584 8.6757 8.6757 k = 0.3750 0.5052-0.0000 ( 9426 PWs) bands (ev): -7.4075 -7.4075 -6.3698 -6.3698 -6.0470 -6.0470 -5.8723 -5.8723 -5.2788 -5.2788 -5.2188 -5.2188 -1.7553 -1.7553 -0.4543 -0.4543 -0.0242 -0.0242 0.1926 0.1926 0.8465 0.8465 1.2490 1.2490 1.4594 1.4594 2.0983 2.0983 2.1564 2.1564 2.7852 2.7852 3.0214 3.0214 3.6336 3.6336 3.7747 3.7747 3.9990 3.9990 4.1505 4.1505 4.5986 4.5986 4.8205 4.8205 5.2233 5.2233 5.4520 5.4520 6.5601 6.5601 6.8726 6.8726 7.6007 7.6007 7.9136 7.9136 8.7027 8.7027 k = 0.3646 0.5232-0.0000 ( 9418 PWs) bands (ev): -7.4038 -7.4038 -6.3672 -6.3672 -6.0310 -6.0310 -5.9021 -5.9021 -5.2713 -5.2713 -5.2260 -5.2260 -1.7408 -1.7408 -0.4425 -0.4425 0.0023 0.0023 0.1685 0.1685 0.8295 0.8295 1.2506 1.2506 1.4399 1.4399 2.0884 2.0884 2.1316 2.1316 2.8060 2.8060 3.0140 3.0140 3.6666 3.6666 3.7987 3.7987 4.0399 4.0399 4.1514 4.1514 4.5855 4.5855 4.8104 4.8104 5.2264 5.2264 5.4639 5.4639 6.5785 6.5785 6.8103 6.8103 7.5689 7.5689 7.8787 7.8787 8.7337 8.7337 k = 0.3542 0.5413-0.0000 ( 9398 PWs) bands (ev): -7.4009 -7.4009 -6.3651 -6.3651 -6.0139 -6.0139 -5.9296 -5.9296 -5.2638 -5.2638 -5.2336 -5.2336 -1.7299 -1.7299 -0.4336 -0.4336 0.0287 0.0287 0.1453 0.1453 0.8156 0.8156 1.2545 1.2545 1.4226 1.4226 2.0827 2.0827 2.1117 2.1117 2.8250 2.8250 3.0055 3.0055 3.6921 3.6921 3.8173 3.8173 4.0711 4.0711 4.1501 4.1501 4.5765 4.5765 4.8015 4.8015 5.2280 5.2280 5.4745 5.4745 6.5992 6.5992 6.7560 6.7560 7.5459 7.5459 7.8540 7.8540 8.7683 8.7683 k = 0.3438 0.5593-0.0000 ( 9394 PWs) bands (ev): -7.3990 -7.3990 -6.3637 -6.3637 -5.9956 -5.9956 -5.9544 -5.9544 -5.2564 -5.2564 -5.2413 -5.2413 -1.7230 -1.7230 -0.4281 -0.4281 0.0516 0.0516 0.1253 0.1253 0.8058 0.8058 1.2591 1.2591 1.4098 1.4098 2.0811 2.0811 2.0976 2.0976 2.8396 2.8396 2.9978 2.9978 3.7083 3.7083 3.8293 3.8293 4.0910 4.0910 4.1471 4.1471 4.5721 4.5721 4.7950 4.7950 5.2286 5.2286 5.4819 5.4819 6.6203 6.6203 6.7135 6.7135 7.5320 7.5320 7.8396 7.8396 8.8060 8.8060 k = 0.3333 0.5774-0.0000 ( 9408 PWs) bands (ev): -7.3983 -7.3983 -6.3632 -6.3632 -5.9779 -5.9779 -5.9743 -5.9743 -5.2491 -5.2491 -5.2487 -5.2487 -1.7207 -1.7207 -0.4262 -0.4262 0.0623 0.0623 0.1160 0.1160 0.8021 0.8021 1.2615 1.2615 1.4048 1.4048 2.0816 2.0816 2.0918 2.0918 2.8454 2.8454 2.9944 2.9944 3.7139 3.7139 3.8336 3.8336 4.0980 4.0980 4.1451 4.1451 4.5711 4.5711 4.7926 4.7926 5.2287 5.2287 5.4846 5.4846 6.6319 6.6319 6.6944 6.6944 7.5274 7.5274 7.8349 7.8349 8.8397 8.8397 k = 0.3333 0.5774-0.0000 ( 9408 PWs) bands (ev): -7.3983 -7.3983 -6.3632 -6.3632 -5.9779 -5.9779 -5.9743 -5.9743 -5.2491 -5.2491 -5.2487 -5.2487 -1.7207 -1.7207 -0.4262 -0.4262 0.0623 0.0623 0.1160 0.1160 0.8021 0.8021 1.2615 1.2615 1.4048 1.4048 2.0816 2.0816 2.0918 2.0918 2.8454 2.8454 2.9944 2.9944 3.7139 3.7139 3.8336 3.8336 4.0980 4.0980 4.1451 4.1451 4.5711 4.5711 4.7926 4.7926 5.2287 5.2287 5.4846 5.4846 6.6319 6.6319 6.6944 6.6944 7.5274 7.5274 7.8349 7.8349 8.8397 8.8399 k = 0.3226 0.5587-0.0000 ( 9392 PWs) bands (ev): -7.3991 -7.3991 -6.3638 -6.3638 -5.9948 -5.9948 -5.9549 -5.9549 -5.2563 -5.2563 -5.2413 -5.2413 -1.7233 -1.7233 -0.4282 -0.4282 0.0525 0.0525 0.1235 0.1235 0.8069 0.8069 1.2582 1.2582 1.4107 1.4107 2.0817 2.0817 2.0975 2.0975 2.8384 2.8384 2.9986 2.9986 3.7077 3.7077 3.8287 3.8287 4.0912 4.0912 4.1477 4.1477 4.5712 4.5712 4.7954 4.7954 5.2286 5.2286 5.4813 5.4813 6.6223 6.6223 6.7124 6.7124 7.5323 7.5323 7.8396 7.8396 8.8112 8.8112 k = 0.3118 0.5401-0.0000 ( 9388 PWs) bands (ev): -7.4016 -7.4016 -6.3655 -6.3655 -6.0094 -6.0094 -5.9327 -5.9327 -5.2630 -5.2630 -5.2337 -5.2337 -1.7310 -1.7310 -0.4344 -0.4344 0.0340 0.0340 0.1342 0.1342 0.8232 0.8232 1.2489 1.2489 1.4277 1.4277 2.0859 2.0859 2.1107 2.1107 2.8188 2.8188 3.0100 3.0100 3.6893 3.6893 3.8136 3.8136 4.0752 4.0752 4.1539 4.1539 4.5699 4.5699 4.8038 4.8038 5.2282 5.2282 5.4710 5.4710 6.6109 6.6109 6.7489 6.7489 7.5469 7.5469 7.8530 7.8530 8.7928 8.7928 k = 0.3011 0.5215-0.0000 ( 9402 PWs) bands (ev): -7.4060 -7.4060 -6.3685 -6.3685 -6.0196 -6.0196 -5.9095 -5.9095 -5.2687 -5.2687 -5.2261 -5.2261 -1.7440 -1.7440 -0.4447 -0.4447 0.0144 0.0144 0.1387 0.1387 0.8525 0.8525 1.2359 1.2359 1.4526 1.4526 2.0960 2.0960 2.1296 2.1296 2.7901 2.7901 3.0244 3.0244 3.6594 3.6594 3.7891 3.7891 4.0550 4.0550 4.1611 4.1611 4.5663 4.5663 4.8161 4.8161 5.2272 5.2272 5.4532 5.4532 6.6085 6.6085 6.7933 6.7933 7.5710 7.5710 7.8743 7.8743 8.7912 8.7912 k = 0.2903 0.5029-0.0000 ( 9406 PWs) bands (ev): -7.4123 -7.4123 -6.3727 -6.3727 -6.0254 -6.0254 -5.8855 -5.8855 -5.2733 -5.2733 -5.2187 -5.2187 -1.7619 -1.7619 -0.4587 -0.4587 -0.0043 -0.0043 0.1347 0.1347 0.8947 0.8947 1.2224 1.2224 1.4818 1.4818 2.1114 2.1114 2.1536 2.1536 2.7566 2.7566 3.0375 3.0375 3.6200 3.6200 3.7573 3.7573 4.0336 4.0336 4.1674 4.1674 4.5608 4.5608 4.8299 4.8299 5.2249 5.2249 5.4286 5.4286 6.6165 6.6165 6.8431 6.8431 7.6045 7.6045 7.9024 7.9024 8.8062 8.8062 k = 0.2796 0.4842-0.0000 ( 9404 PWs) bands (ev): -7.4207 -7.4207 -6.3783 -6.3783 -6.0266 -6.0266 -5.8606 -5.8606 -5.2765 -5.2765 -5.2113 -5.2113 -1.7846 -1.7846 -0.4761 -0.4761 -0.0213 -0.0213 0.1223 0.1223 0.9471 0.9471 1.2116 1.2116 1.5129 1.5129 2.1306 2.1306 2.1822 2.1822 2.7218 2.7218 3.0456 3.0456 3.5737 3.5737 3.7216 3.7216 4.0121 4.0121 4.1715 4.1715 4.5549 4.5549 4.8423 4.8423 5.2204 5.2204 5.3982 5.3982 6.6344 6.6344 6.8968 6.8968 7.6476 7.6476 7.9367 7.9367 8.8363 8.8363 k = 0.2688 0.4656-0.0000 ( 9400 PWs) bands (ev): -7.4310 -7.4310 -6.3851 -6.3851 -6.0233 -6.0233 -5.8350 -5.8350 -5.2783 -5.2783 -5.2041 -5.2041 -1.8117 -1.8117 -0.4966 -0.4966 -0.0363 -0.0363 0.1029 0.1029 1.0036 1.0036 1.2090 1.2090 1.5442 1.5442 2.1518 2.1518 2.2137 2.2137 2.6898 2.6898 3.0451 3.0451 3.5234 3.5234 3.6864 3.6864 3.9911 3.9911 4.1721 4.1721 4.5498 4.5498 4.8510 4.8510 5.2126 5.2126 5.3640 5.3640 6.6611 6.6611 6.9531 6.9531 7.7004 7.7004 7.9762 7.9762 8.8795 8.8795 k = 0.2581 0.4470-0.0000 ( 9406 PWs) bands (ev): -7.4432 -7.4432 -6.3930 -6.3930 -6.0155 -6.0155 -5.8088 -5.8088 -5.2786 -5.2786 -5.1971 -5.1971 -1.8430 -1.8430 -0.5196 -0.5196 -0.0490 -0.0490 0.0783 0.0783 1.0511 1.0511 1.2251 1.2251 1.5749 1.5749 2.1721 2.1721 2.2454 2.2454 2.6653 2.6653 3.0331 3.0331 3.4716 3.4716 3.6569 3.6569 3.9706 3.9706 4.1683 4.1683 4.5462 4.5462 4.8539 4.8539 5.2005 5.2005 5.3285 5.3285 6.6946 6.6946 7.0104 7.0104 7.7630 7.7630 8.0203 8.0203 8.9324 8.9324 k = 0.2473 0.4284-0.0000 ( 9412 PWs) bands (ev): -7.4571 -7.4571 -6.4021 -6.4021 -6.0033 -6.0033 -5.7821 -5.7821 -5.2773 -5.2773 -5.1902 -5.1902 -1.8780 -1.8780 -0.5446 -0.5446 -0.0596 -0.0596 0.0502 0.0502 1.0760 1.0760 1.2712 1.2712 1.6048 1.6048 2.1873 2.1873 2.2745 2.2745 2.6533 2.6533 3.0086 3.0086 3.4206 3.4206 3.6370 3.6370 3.9509 3.9509 4.1601 4.1601 4.5441 4.5441 4.8490 4.8490 5.1843 5.1843 5.2939 5.2939 6.7329 6.7329 7.0673 7.0673 7.8351 7.8351 8.0687 8.0687 8.9908 8.9908 k = 0.2366 0.4097-0.0000 ( 9430 PWs) bands (ev): -7.4725 -7.4725 -6.4121 -6.4121 -5.9871 -5.9871 -5.7550 -5.7550 -5.2745 -5.2745 -5.1836 -5.1836 -1.9163 -1.9163 -0.5712 -0.5712 -0.0679 -0.0679 0.0202 0.0202 1.0818 1.0818 1.3399 1.3399 1.6348 1.6348 2.1917 2.1917 2.3004 2.3004 2.6569 2.6569 2.9738 2.9738 3.3734 3.3734 3.6282 3.6282 3.9323 3.9323 4.1480 4.1480 4.5428 4.5428 4.8356 4.8356 5.1656 5.1656 5.2609 5.2609 6.7738 6.7738 7.1222 7.1222 7.9158 7.9158 8.1215 8.1215 9.0485 9.0485 k = 0.2258 0.3911-0.0000 ( 9414 PWs) bands (ev): -7.4893 -7.4893 -6.4230 -6.4230 -5.9670 -5.9670 -5.7277 -5.7277 -5.2702 -5.2702 -5.1773 -5.1773 -1.9577 -1.9577 -0.5986 -0.5986 -0.0749 -0.0749 -0.0099 -0.0099 1.0798 1.0798 1.4146 1.4146 1.6671 1.6671 2.1814 2.1814 2.3246 2.3246 2.6724 2.6724 2.9347 2.9347 3.3340 3.3340 3.6287 3.6287 3.9149 3.9149 4.1335 4.1335 4.5405 4.5405 4.8141 4.8141 5.1466 5.1466 5.2289 5.2289 6.8149 6.8149 7.1739 7.1739 8.0021 8.0021 8.1802 8.1802 9.0982 9.0982 k = 0.2151 0.3725-0.0000 ( 9398 PWs) bands (ev): -7.5071 -7.5071 -6.4347 -6.4347 -5.9434 -5.9434 -5.7003 -5.7003 -5.2645 -5.2645 -5.1713 -5.1713 -2.0017 -2.0017 -0.6266 -0.6266 -0.0828 -0.0828 -0.0368 -0.0368 1.0759 1.0759 1.4815 1.4815 1.7063 1.7063 2.1579 2.1579 2.3467 2.3467 2.6882 2.6882 2.9029 2.9029 3.3071 3.3071 3.6348 3.6348 3.8995 3.8995 4.1186 4.1186 4.5344 4.5344 4.7876 4.7876 5.1278 5.1278 5.1979 5.1979 6.8541 6.8541 7.2211 7.2211 8.0885 8.0885 8.2488 8.2488 9.1346 9.1346 k = 0.2043 0.3539-0.0000 ( 9390 PWs) bands (ev): -7.5257 -7.5257 -6.4470 -6.4470 -5.9165 -5.9165 -5.6729 -5.6729 -5.2577 -5.2577 -5.1656 -5.1656 -2.0480 -2.0480 -0.6545 -0.6545 -0.0988 -0.0988 -0.0528 -0.0528 1.0723 1.0723 1.5292 1.5292 1.7564 1.7564 2.1272 2.1272 2.3622 2.3622 2.6904 2.6904 2.8937 2.8937 3.2962 3.2962 3.6426 3.6426 3.8864 3.8864 4.1061 4.1061 4.5213 4.5213 4.7614 4.7614 5.1050 5.1050 5.1711 5.1711 6.8894 6.8894 7.2629 7.2629 8.1667 8.1667 8.3336 8.3336 9.1570 9.1570 k = 0.1935 0.3352-0.0000 ( 9384 PWs) bands (ev): -7.5448 -7.5448 -6.4598 -6.4598 -5.8867 -5.8867 -5.6457 -5.6457 -5.2498 -5.2498 -5.1602 -5.1602 -2.0962 -2.0962 -0.6821 -0.6821 -0.1245 -0.1245 -0.0555 -0.0555 1.0701 1.0701 1.5543 1.5543 1.8117 1.8117 2.0983 2.0983 2.3629 2.3629 2.6806 2.6806 2.9123 2.9123 3.3022 3.3022 3.6491 3.6491 3.8756 3.8756 4.0993 4.0993 4.4986 4.4986 4.7407 4.7407 5.0713 5.0713 5.1541 5.1541 6.9189 6.9189 7.2979 7.2979 8.2326 8.2326 8.4367 8.4367 9.1700 9.1700 k = 0.1828 0.3166-0.0000 ( 9386 PWs) bands (ev): -7.5642 -7.5642 -6.4728 -6.4728 -5.8544 -5.8544 -5.6188 -5.6188 -5.2410 -5.2410 -5.1552 -5.1552 -2.1460 -2.1460 -0.7088 -0.7088 -0.1537 -0.1537 -0.0510 -0.0510 1.0697 1.0697 1.5608 1.5608 1.8520 1.8520 2.0861 2.0861 2.3416 2.3416 2.6772 2.6772 2.9503 2.9503 3.3208 3.3208 3.6537 3.6537 3.8667 3.8667 4.1012 4.1012 4.4667 4.4667 4.7278 4.7278 5.0262 5.0262 5.1463 5.1463 6.9412 6.9412 7.3250 7.3250 8.2884 8.2884 8.5533 8.5533 9.1793 9.1793 k = 0.1720 0.2980-0.0000 ( 9391 PWs) bands (ev): -7.5836 -7.5836 -6.4861 -6.4861 -5.8198 -5.8198 -5.5923 -5.5923 -5.2315 -5.2315 -5.1507 -5.1507 -2.1970 -2.1970 -0.7344 -0.7344 -0.1833 -0.1833 -0.0421 -0.0421 1.0715 1.0715 1.5537 1.5537 1.8548 1.8548 2.1033 2.1033 2.3027 2.3027 2.6901 2.6901 3.0020 3.0020 3.3435 3.3435 3.6590 3.6590 3.8596 3.8596 4.1129 4.1129 4.4298 4.4298 4.7213 4.7213 4.9734 4.9734 5.1436 5.1436 6.9554 6.9554 7.3428 7.3428 8.3379 8.3379 8.6768 8.6768 9.1897 9.1897 k = 0.1613 0.2794-0.0000 ( 9409 PWs) bands (ev): -7.6028 -7.6028 -6.4993 -6.4993 -5.7835 -5.7835 -5.5665 -5.5665 -5.2215 -5.2215 -5.1465 -5.1465 -2.2488 -2.2488 -0.7585 -0.7585 -0.2121 -0.2121 -0.0295 -0.0295 1.0754 1.0754 1.5363 1.5363 1.8251 1.8251 2.1204 2.1204 2.2760 2.2760 2.7164 2.7164 3.0660 3.0660 3.3596 3.3596 3.6691 3.6691 3.8560 3.8560 4.1318 4.1318 4.3945 4.3945 4.7180 4.7180 4.9162 4.9162 5.1436 5.1436 6.9610 6.9610 7.3500 7.3500 8.3839 8.3839 8.8004 8.8004 9.2053 9.2053 k = 0.1505 0.2607-0.0000 ( 9419 PWs) bands (ev): -7.6216 -7.6216 -6.5124 -6.5124 -5.7458 -5.7458 -5.5414 -5.5414 -5.2112 -5.2112 -5.1427 -5.1427 -2.3009 -2.3009 -0.7811 -0.7811 -0.2398 -0.2398 -0.0136 -0.0136 1.0814 1.0814 1.5107 1.5107 1.7810 1.7810 2.0835 2.0835 2.3052 2.3052 2.7503 2.7503 3.1398 3.1398 3.3636 3.3636 3.6845 3.6845 3.8607 3.8607 4.1502 4.1502 4.3700 4.3700 4.7131 4.7131 4.8592 4.8592 5.1449 5.1449 6.9582 6.9582 7.3454 7.3454 8.4278 8.4278 8.9153 8.9153 9.2309 9.2309 k = 0.1398 0.2421-0.0000 ( 9415 PWs) bands (ev): -7.6398 -7.6398 -6.5252 -6.5252 -5.7072 -5.7072 -5.5172 -5.5172 -5.2009 -5.2009 -5.1394 -5.1394 -2.3530 -2.3530 -0.8018 -0.8018 -0.2660 -0.2660 0.0056 0.0056 1.0893 1.0893 1.4782 1.4782 1.7326 1.7326 2.0114 2.0114 2.3679 2.3679 2.7872 2.7872 3.2132 3.2132 3.3641 3.3641 3.6985 3.6985 3.8791 3.8791 4.1555 4.1555 4.3685 4.3685 4.6969 4.6969 4.8128 4.8128 5.1467 5.1467 6.9476 6.9476 7.3280 7.3280 8.4710 8.4710 9.0070 9.0070 9.2740 9.2740 k = 0.1290 0.2235-0.0000 ( 9419 PWs) bands (ev): -7.6573 -7.6573 -6.5376 -6.5376 -5.6679 -5.6679 -5.4941 -5.4941 -5.1908 -5.1908 -5.1366 -5.1366 -2.4045 -2.4045 -0.8207 -0.8207 -0.2907 -0.2907 0.0278 0.0278 1.0987 1.0987 1.4396 1.4396 1.6850 1.6850 1.9292 1.9292 2.4396 2.4396 2.8238 2.8238 3.2517 3.2517 3.3983 3.3983 3.7059 3.7059 3.9115 3.9115 4.1424 4.1424 4.3938 4.3938 4.6581 4.6581 4.7909 4.7909 5.1484 5.1484 6.9304 6.9304 7.2974 7.2974 8.5138 8.5138 9.0609 9.0609 9.3313 9.3313 k = 0.1183 0.2049-0.0000 ( 9425 PWs) bands (ev): -7.6739 -7.6739 -6.5495 -6.5495 -5.6286 -5.6286 -5.4722 -5.4722 -5.1810 -5.1810 -5.1342 -5.1342 -2.4549 -2.4549 -0.8376 -0.8376 -0.3137 -0.3137 0.0531 0.0531 1.1093 1.1093 1.3959 1.3959 1.6410 1.6410 1.8447 1.8447 2.5137 2.5137 2.8566 2.8566 3.2438 3.2438 3.4801 3.4801 3.7096 3.7096 3.9488 3.9488 4.1204 4.1204 4.4310 4.4310 4.6094 4.6094 4.7890 4.7890 5.1495 5.1495 6.9078 6.9078 7.2537 7.2537 8.5560 8.5560 9.0776 9.0776 9.3161 9.3161 k = 0.1075 0.1862-0.0000 ( 9429 PWs) bands (ev): -7.6894 -7.6894 -6.5606 -6.5606 -5.5897 -5.5897 -5.4515 -5.4515 -5.1719 -5.1719 -5.1322 -5.1322 -2.5038 -2.5038 -0.8525 -0.8525 -0.3349 -0.3349 0.0812 0.0812 1.1204 1.1204 1.3479 1.3479 1.6021 1.6021 1.7616 1.7616 2.5877 2.5877 2.8815 2.8815 3.2260 3.2260 3.5689 3.5689 3.7211 3.7211 3.9745 3.9745 4.1060 4.1060 4.4427 4.4427 4.5912 4.5912 4.7970 4.7970 5.1497 5.1497 6.8812 6.8812 7.1978 7.1978 8.5960 8.5960 9.0674 9.0674 9.2820 9.2820 k = 0.0968 0.1676-0.0000 ( 9431 PWs) bands (ev): -7.7037 -7.7037 -6.5711 -6.5711 -5.5516 -5.5516 -5.4323 -5.4323 -5.1634 -5.1634 -5.1307 -5.1307 -2.5505 -2.5505 -0.8655 -0.8655 -0.3543 -0.3543 0.1119 0.1119 1.1312 1.1312 1.2972 1.2972 1.5682 1.5682 1.6825 1.6825 2.6592 2.6592 2.8953 2.8953 3.2172 3.2172 3.6242 3.6242 3.7685 3.7685 3.9715 3.9715 4.1131 4.1131 4.4047 4.4047 4.6303 4.6303 4.8112 4.8112 5.1490 5.1490 6.8522 6.8522 7.1312 7.1312 8.6300 8.6300 9.0405 9.0405 9.2477 9.2477 k = 0.0860 0.1490-0.0000 ( 9439 PWs) bands (ev): -7.7168 -7.7168 -6.5806 -6.5806 -5.5149 -5.5149 -5.4147 -5.4147 -5.1560 -5.1560 -5.1296 -5.1296 -2.5944 -2.5944 -0.8766 -0.8766 -0.3718 -0.3718 0.1450 0.1450 1.1402 1.1402 1.2460 1.2460 1.5369 1.5369 1.6119 1.6119 2.7215 2.7215 2.9021 2.9021 3.2244 3.2244 3.6372 3.6372 3.8531 3.8531 3.9465 3.9465 4.1266 4.1266 4.3599 4.3599 4.6911 4.6911 4.8314 4.8314 5.1474 5.1474 6.8221 6.8221 7.0559 7.0559 8.6517 8.6517 9.0085 9.0085 9.2162 9.2162 k = 0.0753 0.1304-0.0000 ( 9439 PWs) bands (ev): -7.7285 -7.7285 -6.5893 -6.5893 -5.4802 -5.4802 -5.3988 -5.3988 -5.1495 -5.1495 -5.1290 -5.1290 -2.6350 -2.6350 -0.8860 -0.8860 -0.3873 -0.3873 0.1800 0.1800 1.1415 1.1415 1.2007 1.2007 1.4983 1.4983 1.5604 1.5604 2.7574 2.7574 2.9221 2.9221 3.2467 3.2467 3.6352 3.6352 3.9031 3.9031 3.9501 3.9501 4.1163 4.1163 4.3455 4.3455 4.7528 4.7528 4.8589 4.8589 5.1453 5.1453 6.7921 6.7921 6.9744 6.9744 8.6527 8.6527 8.9851 8.9851 9.1894 9.1894 k = 0.0645 0.1117-0.0000 ( 9435 PWs) bands (ev): -7.7389 -7.7389 -6.5969 -6.5969 -5.4479 -5.4479 -5.3846 -5.3846 -5.1442 -5.1442 -5.1288 -5.1288 -2.6717 -2.6717 -0.8937 -0.8937 -0.4008 -0.4008 0.2163 0.2163 1.1159 1.1159 1.1816 1.1816 1.4465 1.4465 1.5349 1.5349 2.7551 2.7551 2.9736 2.9736 3.2795 3.2795 3.6288 3.6288 3.8682 3.8682 4.0014 4.0014 4.0935 4.0935 4.3716 4.3716 4.8072 4.8072 4.8945 4.8945 5.1437 5.1437 6.7633 6.7633 6.8899 6.8899 8.6288 8.6288 8.9790 8.9790 9.1684 9.1684 k = 0.0538 0.0931-0.0000 ( 9423 PWs) bands (ev): -7.7477 -7.7477 -6.6034 -6.6034 -5.4188 -5.4188 -5.3724 -5.3724 -5.1400 -5.1400 -5.1289 -5.1289 -2.7039 -2.7039 -0.9000 -0.9000 -0.4123 -0.4123 0.2530 0.2530 1.0700 1.0700 1.1832 1.1832 1.3935 1.3935 1.5234 1.5234 2.7317 2.7317 3.0450 3.0450 3.3182 3.3182 3.6204 3.6204 3.8289 3.8289 3.9635 3.9635 4.1272 4.1272 4.4213 4.4213 4.8532 4.8532 4.9338 4.9338 5.1443 5.1443 6.7363 6.7363 6.8062 6.8062 8.5869 8.5869 8.9867 8.9867 9.1542 9.1542 k = 0.0430 0.0745-0.0000 ( 9449 PWs) bands (ev): -7.7550 -7.7550 -6.6088 -6.6088 -5.3935 -5.3935 -5.3622 -5.3622 -5.1369 -5.1369 -5.1294 -5.1294 -2.7311 -2.7311 -0.9048 -0.9048 -0.4218 -0.4218 0.2887 0.2887 1.0226 1.0226 1.1886 1.1886 1.3461 1.3461 1.5186 1.5186 2.7031 2.7031 3.1244 3.1244 3.3592 3.3592 3.6098 3.6098 3.7896 3.7896 3.8914 3.8914 4.1716 4.1716 4.4790 4.4790 4.8949 4.8949 4.9677 4.9677 5.1489 5.1489 6.7082 6.7082 6.7313 6.7313 8.5388 8.5388 8.9986 8.9986 9.1475 9.1475 k = 0.0323 0.0559-0.0000 ( 9453 PWs) bands (ev): -7.7607 -7.7607 -6.6131 -6.6131 -5.3727 -5.3727 -5.3541 -5.3541 -5.1348 -5.1348 -5.1300 -5.1300 -2.7529 -2.7529 -0.9084 -0.9084 -0.4292 -0.4292 0.3215 0.3215 0.9796 0.9796 1.1950 1.1950 1.3061 1.3061 1.5175 1.5175 2.6764 2.6764 3.2071 3.2071 3.4000 3.4000 3.5945 3.5945 3.7520 3.7520 3.8170 3.8170 4.2048 4.2048 4.5334 4.5334 4.9344 4.9344 4.9898 4.9898 5.1581 5.1581 6.6514 6.6514 6.6985 6.6985 8.4937 8.4937 9.0080 9.0080 9.1480 9.1480 k = 0.0215 0.0372-0.0000 ( 9453 PWs) bands (ev): -7.7648 -7.7648 -6.6162 -6.6162 -5.3574 -5.3574 -5.3480 -5.3480 -5.1337 -5.1337 -5.1306 -5.1306 -2.7687 -2.7687 -0.9109 -0.9109 -0.4344 -0.4344 0.3488 0.3488 0.9445 0.9445 1.2027 1.2027 1.2739 1.2739 1.5181 1.5181 2.6554 2.6554 3.2906 3.2906 3.4371 3.4371 3.5686 3.5686 3.7185 3.7185 3.7527 3.7527 4.2269 4.2269 4.5767 4.5767 4.9697 4.9697 5.0006 5.0006 5.1688 5.1688 6.5965 6.5965 6.6833 6.6833 8.4578 8.4578 9.0130 9.0130 9.1528 9.1528 k = 0.0108 0.0186-0.0000 ( 9473 PWs) bands (ev): -7.7673 -7.7673 -6.6180 -6.6180 -5.3485 -5.3485 -5.3437 -5.3437 -5.1333 -5.1333 -5.1308 -5.1308 -2.7783 -2.7783 -0.9124 -0.9124 -0.4376 -0.4376 0.3672 0.3672 0.9212 0.9212 1.2123 1.2123 1.2494 1.2494 1.5191 1.5191 2.6419 2.6419 3.3721 3.3721 3.4644 3.4644 3.5246 3.5246 3.6919 3.6919 3.7124 3.7124 4.2395 4.2395 4.6042 4.6042 4.9950 4.9950 5.0045 5.0045 5.1766 5.1766 6.5605 6.5605 6.6743 6.6743 8.4349 8.4349 9.0150 9.0150 9.1579 9.1579 k = 0.0000 0.0000 0.0000 ( 9441 PWs) bands (ev): -7.7681 -7.7681 -6.6186 -6.6186 -5.3460 -5.3460 -5.3418 -5.3418 -5.1333 -5.1333 -5.1308 -5.1308 -2.7815 -2.7815 -0.9129 -0.9129 -0.4387 -0.4387 0.3737 0.3737 0.9130 0.9130 1.2204 1.2204 1.2363 1.2363 1.5195 1.5195 2.6373 2.6373 3.4358 3.4358 3.4583 3.4583 3.4899 3.4899 3.6801 3.6801 3.7007 3.7007 4.2435 4.2435 4.6136 4.6136 5.0032 5.0032 5.0065 5.0065 5.1793 5.1793 6.5480 6.5480 6.6713 6.6713 8.4270 8.4270 9.0154 9.0154 9.1599 9.1599 k = 0.0000 0.0000 0.0000 ( 9441 PWs) bands (ev): -7.7681 -7.7681 -6.6186 -6.6186 -5.3460 -5.3460 -5.3418 -5.3418 -5.1333 -5.1333 -5.1308 -5.1308 -2.7815 -2.7815 -0.9129 -0.9129 -0.4387 -0.4387 0.3737 0.3737 0.9130 0.9130 1.2204 1.2204 1.2363 1.2363 1.5195 1.5195 2.6373 2.6373 3.4358 3.4358 3.4583 3.4583 3.4899 3.4899 3.6801 3.6801 3.7007 3.7007 4.2435 4.2435 4.6136 4.6136 5.0032 5.0032 5.0065 5.0065 5.1793 5.1793 6.5480 6.5480 6.6713 6.6713 8.4270 8.4270 9.0154 9.0154 9.1599 9.1599 k = 0.0000 0.0000 0.0212 ( 9459 PWs) bands (ev): -7.7675 -7.7675 -6.6197 -6.6197 -5.3457 -5.3457 -5.3416 -5.3416 -5.1335 -5.1335 -5.1309 -5.1309 -2.7810 -2.7810 -0.9140 -0.9140 -0.4358 -0.4358 0.3740 0.3740 0.9121 0.9121 1.2189 1.2189 1.2350 1.2350 1.5179 1.5179 2.6360 2.6360 3.4368 3.4368 3.4600 3.4600 3.4917 3.4917 3.6838 3.6838 3.7044 3.7044 4.2411 4.2411 4.6146 4.6146 4.9953 4.9953 5.0065 5.0065 5.1802 5.1802 6.5538 6.5538 6.6773 6.6773 8.4266 8.4266 9.0142 9.0142 9.1586 9.1586 k = 0.0000 0.0000 0.0425 ( 9477 PWs) bands (ev): -7.7658 -7.7658 -6.6230 -6.6230 -5.3451 -5.3451 -5.3410 -5.3410 -5.1339 -5.1339 -5.1314 -5.1314 -2.7792 -2.7792 -0.9175 -0.9175 -0.4271 -0.4271 0.3746 0.3746 0.9093 0.9093 1.2143 1.2143 1.2314 1.2314 1.5129 1.5129 2.6320 2.6320 3.4397 3.4397 3.4652 3.4652 3.4969 3.4969 3.6948 3.6948 3.7154 3.7154 4.2337 4.2337 4.6174 4.6174 4.9725 4.9725 5.0065 5.0065 5.1827 5.1827 6.5705 6.5705 6.6955 6.6955 8.4253 8.4253 9.0105 9.0105 9.1546 9.1546 k = 0.0000 0.0000 0.0637 ( 9442 PWs) bands (ev): -7.7629 -7.7629 -6.6283 -6.6283 -5.3441 -5.3441 -5.3399 -5.3399 -5.1347 -5.1347 -5.1323 -5.1323 -2.7763 -2.7763 -0.9231 -0.9231 -0.4128 -0.4128 0.3757 0.3757 0.9049 0.9049 1.2066 1.2066 1.2254 1.2254 1.5048 1.5048 2.6253 2.6253 3.4446 3.4446 3.4741 3.4741 3.5055 3.5055 3.7125 3.7125 3.7329 3.7329 4.2210 4.2210 4.6220 4.6220 4.9379 4.9379 5.0066 5.0066 5.1868 5.1868 6.5961 6.5961 6.7253 6.7253 8.4233 8.4233 9.0046 9.0046 9.1480 9.1480 k = 0.0000 0.0000 0.0850 ( 9436 PWs) bands (ev): -7.7589 -7.7589 -6.6358 -6.6358 -5.3426 -5.3426 -5.3385 -5.3385 -5.1359 -5.1359 -5.1334 -5.1334 -2.7723 -2.7723 -0.9308 -0.9308 -0.3930 -0.3930 0.3772 0.3772 0.8989 0.8989 1.1962 1.1962 1.2175 1.2175 1.4936 1.4936 2.6162 2.6162 3.4512 3.4512 3.4867 3.4867 3.5173 3.5173 3.7363 3.7363 3.7562 3.7562 4.2027 4.2027 4.6280 4.6280 4.8960 4.8960 5.0068 5.0068 5.1924 5.1924 6.6286 6.6286 6.7656 6.7656 8.4205 8.4205 8.9965 8.9965 9.1391 9.1391 k = 0.0000 0.0000 0.1062 ( 9442 PWs) bands (ev): -7.7539 -7.7539 -6.6451 -6.6451 -5.3407 -5.3407 -5.3367 -5.3367 -5.1373 -5.1373 -5.1349 -5.1349 -2.7672 -2.7672 -0.9404 -0.9404 -0.3680 -0.3680 0.3792 0.3792 0.8916 0.8916 1.1831 1.1831 1.2078 1.2078 1.4795 1.4795 2.6048 2.6048 3.4586 3.4586 3.5034 3.5034 3.5319 3.5319 3.7653 3.7653 3.7839 3.7839 4.1785 4.1785 4.6349 4.6349 4.8519 4.8519 5.0073 5.0073 5.1994 5.1994 6.6667 6.6667 6.8143 6.8143 8.4171 8.4171 8.9865 8.9865 9.1278 9.1278 k = 0.0000 0.0000 0.1274 ( 9436 PWs) bands (ev): -7.7478 -7.7478 -6.6562 -6.6562 -5.3385 -5.3385 -5.3346 -5.3346 -5.1390 -5.1390 -5.1366 -5.1366 -2.7613 -2.7613 -0.9517 -0.9517 -0.3379 -0.3379 0.3816 0.3816 0.8832 0.8832 1.1676 1.1676 1.1969 1.1969 1.4628 1.4628 2.5912 2.5912 3.4657 3.4657 3.5239 3.5239 3.5493 3.5493 3.7986 3.7986 3.8147 3.8147 4.1490 4.1490 4.6418 4.6418 4.8111 4.8111 5.0082 5.0082 5.2078 5.2078 6.7097 6.7097 6.8686 6.8686 8.4131 8.4131 8.9749 8.9749 9.1146 9.1146 k = 0.0000 0.0000 0.1487 ( 9436 PWs) bands (ev): -7.7407 -7.7407 -6.6690 -6.6690 -5.3359 -5.3359 -5.3321 -5.3321 -5.1410 -5.1410 -5.1387 -5.1387 -2.7545 -2.7545 -0.9644 -0.9644 -0.3032 -0.3032 0.3844 0.3844 0.8741 0.8741 1.1500 1.1500 1.1849 1.1849 1.4439 1.4439 2.5757 2.5757 3.4698 3.4698 3.5483 3.5483 3.5693 3.5693 3.8351 3.8351 3.8471 3.8471 4.1161 4.1161 4.6468 4.6468 4.7788 4.7788 5.0096 5.0096 5.2174 5.2174 6.7574 6.7574 6.9261 6.9261 8.4086 8.4086 8.9619 8.9619 9.0996 9.0996 k = 0.0000 0.0000 0.1699 ( 9436 PWs) bands (ev): -7.7328 -7.7328 -6.6832 -6.6832 -5.3330 -5.3330 -5.3293 -5.3293 -5.1432 -5.1432 -5.1410 -5.1410 -2.7469 -2.7469 -0.9782 -0.9782 -0.2640 -0.2640 0.3875 0.3875 0.8645 0.8645 1.1306 1.1306 1.1724 1.1724 1.4229 1.4229 2.5587 2.5587 3.4674 3.4674 3.5762 3.5762 3.5918 3.5918 3.8741 3.8741 3.8788 3.8788 4.0837 4.0837 4.6477 4.6477 4.7598 4.7598 5.0117 5.0117 5.2280 5.2280 6.8093 6.8093 6.9846 6.9846 8.4037 8.4037 8.9478 8.9478 9.0831 9.0831 k = 0.0000 0.0000 0.1912 ( 9424 PWs) bands (ev): -7.7240 -7.7240 -6.6986 -6.6986 -5.3297 -5.3297 -5.3262 -5.3262 -5.1457 -5.1457 -5.1436 -5.1436 -2.7388 -2.7388 -0.9931 -0.9931 -0.2209 -0.2209 0.3910 0.3910 0.8548 0.8548 1.1098 1.1098 1.1597 1.1597 1.4004 1.4004 2.5404 2.5404 3.4542 3.4542 3.6073 3.6073 3.6168 3.6168 3.9068 3.9068 3.9146 3.9146 4.0586 4.0586 4.6444 4.6444 4.7553 4.7553 5.0145 5.0145 5.2397 5.2397 6.8650 6.8650 7.0425 7.0425 8.3985 8.3985 8.9328 8.9328 9.0654 9.0654 k = 0.0000 0.0000 0.2124 ( 9442 PWs) bands (ev): -7.7146 -7.7146 -6.7150 -6.7150 -5.3262 -5.3262 -5.3228 -5.3228 -5.1485 -5.1485 -5.1465 -5.1465 -2.7302 -2.7302 -1.0086 -1.0086 -0.1743 -0.1743 0.3948 0.3948 0.8452 0.8452 1.0879 1.0879 1.1472 1.1472 1.3768 1.3768 2.5212 2.5212 3.4261 3.4261 3.6409 3.6409 3.6441 3.6441 3.9278 3.9278 3.9557 3.9557 4.0482 4.0482 4.6400 4.6400 4.7621 4.7621 5.0181 5.0181 5.2521 5.2521 6.9238 6.9238 7.0986 7.0986 8.3931 8.3931 8.9171 8.9171 9.0466 9.0466 k = 0.0000 0.0000 0.2336 ( 9412 PWs) bands (ev): -7.7046 -7.7046 -6.7321 -6.7321 -5.3225 -5.3225 -5.3192 -5.3192 -5.1514 -5.1514 -5.1495 -5.1495 -2.7213 -2.7213 -1.0245 -1.0245 -0.1247 -0.1247 0.3988 0.3988 0.8360 0.8360 1.0652 1.0652 1.1352 1.1352 1.3523 1.3523 2.5014 2.5014 3.3814 3.3814 3.6730 3.6730 3.6765 3.6765 3.9416 3.9416 3.9966 3.9966 4.0549 4.0549 4.6383 4.6383 4.7755 4.7755 5.0225 5.0225 5.2652 5.2652 6.9849 6.9849 7.1522 7.1522 8.3876 8.3876 8.9011 8.9011 9.0270 9.0270 k = 0.0000 0.0000 0.2549 ( 9418 PWs) bands (ev): -7.6942 -7.6942 -6.7497 -6.7497 -5.3186 -5.3186 -5.3154 -5.3154 -5.1545 -5.1545 -5.1527 -5.1527 -2.7122 -2.7122 -1.0405 -1.0405 -0.0727 -0.0727 0.4029 0.4029 0.8275 0.8275 1.0420 1.0420 1.1240 1.1240 1.3274 1.3274 2.4815 2.4815 3.3215 3.3215 3.7031 3.7031 3.7134 3.7134 3.9540 3.9540 4.0365 4.0365 4.0724 4.0724 4.6412 4.6412 4.7928 4.7928 5.0279 5.0279 5.2787 5.2787 7.0474 7.0474 7.2028 7.2028 8.3821 8.3821 8.8849 8.8849 9.0069 9.0069 k = 0.0000 0.0000 0.2761 ( 9424 PWs) bands (ev): -7.6835 -7.6835 -6.7674 -6.7674 -5.3145 -5.3145 -5.3116 -5.3116 -5.1578 -5.1578 -5.1561 -5.1561 -2.7032 -2.7032 -1.0564 -1.0564 -0.0190 -0.0190 0.4071 0.4071 0.8200 0.8200 1.0188 1.0188 1.1140 1.1140 1.3025 1.3025 2.4618 2.4618 3.2503 3.2503 3.7336 3.7336 3.7508 3.7508 3.9694 3.9694 4.0746 4.0746 4.0935 4.0935 4.6492 4.6492 4.8120 4.8120 5.0342 5.0342 5.2926 5.2926 7.1101 7.1101 7.2505 7.2505 8.3766 8.3766 8.8688 8.8688 8.9864 8.9864 k = 0.0000 0.0000 0.2974 ( 9406 PWs) bands (ev): -7.6728 -7.6728 -6.7849 -6.7849 -5.3104 -5.3104 -5.3076 -5.3076 -5.1611 -5.1611 -5.1595 -5.1595 -2.6944 -2.6944 -1.0719 -1.0719 0.0355 0.0355 0.4112 0.4112 0.8136 0.8136 0.9958 0.9958 1.1052 1.1052 1.2779 1.2779 2.4428 2.4428 3.1721 3.1721 3.7635 3.7635 3.7881 3.7881 3.9887 3.9887 4.1104 4.1104 4.1138 4.1138 4.6619 4.6619 4.8323 4.8323 5.0413 5.0413 5.3065 5.3065 7.1713 7.1713 7.2954 7.2954 8.3712 8.3712 8.8529 8.8529 8.9658 8.9658 k = 0.0000 0.0000 0.3186 ( 9394 PWs) bands (ev): -7.6622 -7.6622 -6.8019 -6.8019 -5.3063 -5.3063 -5.3037 -5.3037 -5.1644 -5.1644 -5.1630 -5.1630 -2.6859 -2.6859 -1.0866 -1.0866 0.0900 0.0900 0.4150 0.4150 0.8085 0.8085 0.9733 0.9733 1.0980 1.0980 1.2539 1.2539 2.4247 2.4247 3.0912 3.0912 3.7923 3.7923 3.8244 3.8244 4.0106 4.0106 4.1318 4.1318 4.1433 4.1433 4.6785 4.6785 4.8525 4.8525 5.0490 5.0490 5.3201 5.3201 7.2293 7.2293 7.3380 7.3380 8.3661 8.3661 8.8373 8.8373 8.9451 8.9451 k = 0.0000 0.0000 0.3398 ( 9376 PWs) bands (ev): -7.6520 -7.6520 -6.8181 -6.8181 -5.3023 -5.3023 -5.2998 -5.2998 -5.1677 -5.1677 -5.1664 -5.1664 -2.6779 -2.6779 -1.1004 -1.1004 0.1434 0.1434 0.4185 0.4185 0.8049 0.8049 0.9516 0.9516 1.0926 1.0926 1.2308 1.2308 2.4080 2.4080 3.0109 3.0109 3.8193 3.8193 3.8589 3.8589 4.0337 4.0337 4.1468 4.1468 4.1727 4.1727 4.6979 4.6979 4.8719 4.8719 5.0572 5.0572 5.3333 5.3333 7.2818 7.2818 7.3793 7.3793 8.3612 8.3612 8.8224 8.8224 8.9246 8.9246 k = 0.0000 0.0000 0.3611 ( 9406 PWs) bands (ev): -7.6424 -7.6424 -6.8330 -6.8330 -5.2985 -5.2985 -5.2962 -5.2962 -5.1709 -5.1709 -5.1697 -5.1697 -2.6706 -2.6706 -1.1129 -1.1129 0.1944 0.1944 0.4215 0.4215 0.8029 0.8029 0.9310 0.9310 1.0889 1.0889 1.2088 1.2088 2.3930 2.3930 2.9344 2.9344 3.8437 3.8437 3.8909 3.8909 4.0567 4.0567 4.1587 4.1587 4.1984 4.1984 4.7191 4.7191 4.8899 4.8899 5.0654 5.0654 5.3456 5.3456 7.3266 7.3266 7.4201 7.4201 8.3566 8.3566 8.8081 8.8081 8.9049 8.9049 k = 0.0000 0.0000 0.3823 ( 9412 PWs) bands (ev): -7.6337 -7.6337 -6.8465 -6.8465 -5.2949 -5.2949 -5.2928 -5.2928 -5.1738 -5.1738 -5.1728 -5.1728 -2.6641 -2.6641 -1.1239 -1.1239 0.2419 0.2419 0.4237 0.4237 0.8025 0.8025 0.9116 0.9116 1.0873 1.0873 1.1883 1.1883 2.3800 2.3800 2.8642 2.8642 3.8652 3.8652 3.9195 3.9195 4.0783 4.0783 4.1677 4.1677 4.2202 4.2202 4.7406 4.7406 4.9056 4.9056 5.0734 5.0734 5.3567 5.3567 7.3626 7.3626 7.4599 7.4599 8.3524 8.3524 8.7946 8.7946 8.8866 8.8866 k = 0.0000 0.0000 0.4036 ( 9436 PWs) bands (ev): -7.6261 -7.6261 -6.8580 -6.8580 -5.2918 -5.2918 -5.2898 -5.2898 -5.1765 -5.1765 -5.1756 -5.1756 -2.6586 -2.6586 -1.1333 -1.1333 0.2844 0.2844 0.4249 0.4249 0.8038 0.8038 0.8938 0.8938 1.0877 1.0877 1.1693 1.1693 2.3691 2.3691 2.8027 2.8027 3.8833 3.8833 3.9441 3.9441 4.0977 4.0977 4.1742 4.1742 4.2380 4.2380 4.7609 4.7609 4.9187 4.9187 5.0808 5.0808 5.3663 5.3663 7.3903 7.3903 7.4968 7.4968 8.3487 8.3487 8.7820 8.7820 8.8705 8.8706 k = 0.0000 0.0000 0.4248 ( 9430 PWs) bands (ev): -7.6199 -7.6199 -6.8674 -6.8674 -5.2892 -5.2892 -5.2873 -5.2873 -5.1787 -5.1787 -5.1779 -5.1779 -2.6542 -2.6542 -1.1408 -1.1408 0.3208 0.3208 0.4248 0.4248 0.8067 0.8067 0.8778 0.8778 1.0902 1.0902 1.1521 1.1521 2.3606 2.3606 2.7521 2.7521 3.8976 3.8976 3.9639 3.9639 4.1140 4.1140 4.1784 4.1784 4.2517 4.2517 4.7788 4.7788 4.9289 4.9289 5.0870 5.0870 5.3741 5.3741 7.4106 7.4106 7.5284 7.5284 8.3455 8.3455 8.7703 8.7703 8.8413 8.8420 k = 0.0000 0.0000 0.4460 ( 9430 PWs) bands (ev): -7.6153 -7.6153 -6.8743 -6.8743 -5.2872 -5.2872 -5.2854 -5.2854 -5.1804 -5.1804 -5.1796 -5.1796 -2.6509 -2.6509 -1.1462 -1.1462 0.3495 0.3495 0.4231 0.4231 0.8109 0.8109 0.8642 0.8642 1.0947 1.0947 1.1369 1.1369 2.3546 2.3546 2.7143 2.7143 3.9081 3.9081 3.9785 3.9785 4.1264 4.1264 4.1808 4.1808 4.2614 4.2614 4.7927 4.7927 4.9359 4.9359 5.0919 5.0919 5.3799 5.3799 7.4247 7.4247 7.5524 7.5524 8.3430 8.3430 8.7600 8.7600 8.8190 8.8190 k = 0.0000 0.0000 0.4673 ( 9412 PWs) bands (ev): -7.6124 -7.6124 -6.8785 -6.8785 -5.2859 -5.2859 -5.2842 -5.2842 -5.1814 -5.1814 -5.1807 -5.1807 -2.6489 -2.6489 -1.1495 -1.1495 0.3692 0.3692 0.4203 0.4203 0.8154 0.8154 0.8540 0.8540 1.1011 1.1011 1.1240 1.1240 2.3510 2.3510 2.6909 2.6909 3.9144 3.9144 3.9875 3.9875 4.1343 4.1343 4.1820 4.1820 4.2672 4.2672 4.8017 4.8017 4.9401 4.9401 5.0949 5.0949 5.3834 5.3834 7.4329 7.4329 7.5674 7.5674 8.3414 8.3414 8.7525 8.7525 8.8069 8.8069 k = 0.0000 0.0000 0.4885 ( 9412 PWs) bands (ev): -7.6115 -7.6115 -6.8799 -6.8799 -5.2855 -5.2855 -5.2838 -5.2838 -5.1818 -5.1818 -5.1811 -5.1811 -2.6483 -2.6483 -1.1506 -1.1506 0.3767 0.3767 0.4186 0.4186 0.8176 0.8176 0.8498 0.8498 1.1064 1.1064 1.1166 1.1166 2.3498 2.3498 2.6830 2.6830 3.9165 3.9165 3.9905 3.9905 4.1371 4.1371 4.1823 4.1823 4.2691 4.2691 4.8047 4.8047 4.9414 4.9414 5.0959 5.0959 5.3846 5.3846 7.4357 7.4357 7.5725 7.5725 8.3409 8.3409 8.7498 8.7498 8.8032 8.8032 k = 0.0000 0.0000 0.4885 ( 9412 PWs) bands (ev): -7.6115 -7.6115 -6.8799 -6.8799 -5.2855 -5.2855 -5.2838 -5.2838 -5.1818 -5.1818 -5.1811 -5.1811 -2.6483 -2.6483 -1.1506 -1.1506 0.3767 0.3767 0.4186 0.4186 0.8176 0.8176 0.8498 0.8498 1.1064 1.1064 1.1166 1.1166 2.3498 2.3498 2.6830 2.6830 3.9165 3.9165 3.9905 3.9905 4.1371 4.1371 4.1823 4.1823 4.2691 4.2691 4.8047 4.8047 4.9414 4.9414 5.0959 5.0959 5.3846 5.3846 7.4357 7.4357 7.5725 7.5725 8.3409 8.3409 8.7498 8.7498 8.8032 8.8032 k = 0.0185 0.0107 0.4885 ( 9406 PWs) bands (ev): -7.6107 -7.6107 -6.8792 -6.8792 -5.2876 -5.2876 -5.2851 -5.2851 -5.1825 -5.1825 -5.1816 -5.1816 -2.6455 -2.6455 -1.1495 -1.1495 0.3770 0.3770 0.4081 0.4081 0.8284 0.8284 0.8498 0.8498 1.1090 1.1090 1.1212 1.1212 2.3551 2.3551 2.6839 2.6839 3.9132 3.9132 3.9874 3.9874 4.0918 4.0918 4.2029 4.2029 4.2873 4.2873 4.8026 4.8026 4.9350 4.9350 5.0953 5.0953 5.3785 5.3785 7.4406 7.4406 7.5708 7.5708 8.3429 8.3429 8.7454 8.7454 8.7968 8.7968 k = 0.0370 0.0214 0.4885 ( 9402 PWs) bands (ev): -7.6084 -7.6084 -6.8771 -6.8771 -5.2950 -5.2950 -5.2878 -5.2878 -5.1851 -5.1851 -5.1826 -5.1826 -2.6371 -2.6371 -1.1461 -1.1461 0.3775 0.3775 0.3806 0.3806 0.8493 0.8493 0.8578 0.8578 1.1117 1.1117 1.1406 1.1406 2.3709 2.3709 2.6864 2.6864 3.9027 3.9027 3.9755 3.9755 4.0245 4.0245 4.2095 4.2095 4.3313 4.3313 4.7962 4.7962 4.9171 4.9171 5.0929 5.0929 5.3610 5.3610 7.4546 7.4546 7.5656 7.5656 8.3474 8.3474 8.7309 8.7309 8.7975 8.7975 k = 0.0556 0.0321 0.4885 ( 9412 PWs) bands (ev): -7.6045 -7.6045 -6.8737 -6.8737 -5.3075 -5.3075 -5.2918 -5.2918 -5.1897 -5.1897 -5.1841 -5.1841 -2.6233 -2.6233 -1.1405 -1.1405 0.3407 0.3407 0.3801 0.3801 0.8486 0.8486 0.8979 0.8979 1.1147 1.1147 1.1755 1.1755 2.3967 2.3967 2.6905 2.6905 3.8806 3.8806 3.9308 3.9308 3.9833 3.9833 4.2039 4.2039 4.3777 4.3777 4.7862 4.7862 4.8915 4.8915 5.0871 5.0871 5.3339 5.3339 7.4754 7.4754 7.5569 7.5569 8.3504 8.3504 8.7164 8.7164 8.8141 8.8141 k = 0.0741 0.0428 0.4885 ( 9400 PWs) bands (ev): -7.5991 -7.5991 -6.8688 -6.8688 -5.3245 -5.3245 -5.2972 -5.2972 -5.1961 -5.1961 -5.1864 -5.1864 -2.6043 -2.6043 -1.1326 -1.1326 0.2962 0.2962 0.3827 0.3827 0.8466 0.8466 0.9437 0.9437 1.1204 1.1204 1.2247 1.2247 2.4316 2.4316 2.6962 2.6962 3.8252 3.8252 3.8796 3.8796 3.9660 3.9660 4.1916 4.1916 4.4146 4.4146 4.7736 4.7736 4.8635 4.8635 5.0767 5.0767 5.3002 5.3002 7.4971 7.4971 7.5474 7.5474 8.3474 8.3474 8.7116 8.7116 8.8441 8.8442 k = 0.0926 0.0535 0.4885 ( 9400 PWs) bands (ev): -7.5922 -7.5922 -6.8627 -6.8627 -5.3457 -5.3457 -5.3040 -5.3040 -5.2044 -5.2044 -5.1895 -5.1895 -2.5805 -2.5805 -1.1225 -1.1225 0.2499 0.2499 0.3861 0.3861 0.8428 0.8428 0.9920 0.9920 1.1303 1.1303 1.2867 1.2867 2.4747 2.4747 2.7034 2.7034 3.7397 3.7397 3.8427 3.8427 3.9498 3.9498 4.1735 4.1735 4.4355 4.4355 4.7587 4.7587 4.8394 4.8394 5.0606 5.0606 5.2637 5.2637 7.5012 7.5012 7.5522 7.5522 8.3366 8.3366 8.7171 8.7171 8.8864 8.8864 k = 0.1111 0.0642 0.4885 ( 9412 PWs) bands (ev): -7.5838 -7.5838 -6.8552 -6.8552 -5.3706 -5.3706 -5.3118 -5.3118 -5.2146 -5.2146 -5.1934 -5.1934 -2.5522 -2.5522 -1.1102 -1.1102 0.2040 0.2040 0.3901 0.3901 0.8369 0.8369 1.0420 1.0420 1.1456 1.1456 1.3599 1.3599 2.5249 2.5249 2.7121 2.7121 3.6458 3.6458 3.8013 3.8013 3.9321 3.9321 4.1497 4.1497 4.4368 4.4368 4.7391 4.7391 4.8270 4.8270 5.0385 5.0385 5.2280 5.2280 7.4811 7.4811 7.5750 7.5750 8.3193 8.3193 8.7286 8.7286 8.9296 8.9298 k = 0.1296 0.0748 0.4885 ( 9396 PWs) bands (ev): -7.5741 -7.5741 -6.8465 -6.8465 -5.3989 -5.3989 -5.3207 -5.3207 -5.2266 -5.2266 -5.1980 -5.1980 -2.5199 -2.5199 -1.0958 -1.0958 0.1599 0.1599 0.3948 0.3948 0.8291 0.8291 1.0938 1.0938 1.1671 1.1671 1.4421 1.4421 2.5807 2.5807 2.7222 2.7222 3.5476 3.5476 3.7520 3.7520 3.9124 3.9124 4.1203 4.1203 4.4192 4.4192 4.7124 4.7124 4.8290 4.8290 5.0107 5.0107 5.1966 5.1966 7.4510 7.4510 7.5994 7.5994 8.2985 8.2985 8.7418 8.7418 8.9664 8.9664 k = 0.1481 0.0855 0.4885 ( 9402 PWs) bands (ev): -7.5630 -7.5630 -6.8366 -6.8366 -5.4301 -5.4301 -5.3304 -5.3304 -5.2403 -5.2403 -5.2034 -5.2034 -2.4841 -2.4841 -1.0793 -1.0793 0.1183 0.1183 0.4000 0.4000 0.8200 0.8200 1.1474 1.1474 1.1951 1.1951 1.5316 1.5316 2.6401 2.6401 2.7342 2.7342 3.4470 3.4470 3.6942 3.6942 3.8902 3.8902 4.0859 4.0859 4.3881 4.3881 4.6804 4.6804 4.8389 4.8389 4.9787 4.9787 5.1719 5.1719 7.4149 7.4149 7.6202 7.6202 8.2770 8.2770 8.7544 8.7544 8.9972 8.9972 k = 0.1667 0.0962 0.4885 ( 9398 PWs) bands (ev): -7.5506 -7.5506 -6.8257 -6.8257 -5.4637 -5.4637 -5.3408 -5.3408 -5.2555 -5.2555 -5.2094 -5.2094 -2.4454 -2.4454 -1.0608 -1.0608 0.0800 0.0800 0.4057 0.4057 0.8103 0.8103 1.2022 1.2022 1.2305 1.2305 1.6268 1.6268 2.6972 2.6972 2.7519 2.7519 3.3454 3.3454 3.6278 3.6278 3.8653 3.8653 4.0474 4.0474 4.3494 4.3494 4.6454 4.6454 4.8475 4.8475 4.9454 4.9454 5.1552 5.1552 7.3740 7.3740 7.6360 7.6360 8.2563 8.2563 8.7654 8.7654 9.0140 9.0140 k = 0.1852 0.1069 0.4885 ( 9412 PWs) bands (ev): -7.5371 -7.5371 -6.8137 -6.8137 -5.4994 -5.4994 -5.3517 -5.3517 -5.2722 -5.2722 -5.2160 -5.2160 -2.4042 -2.4042 -1.0407 -1.0407 0.0454 0.0454 0.4119 0.4119 0.8009 0.8009 1.2540 1.2540 1.2768 1.2768 1.7263 1.7263 2.7319 2.7319 2.7922 2.7922 3.2454 3.2454 3.5532 3.5532 3.8372 3.8372 4.0060 4.0060 4.3077 4.3077 4.6087 4.6087 4.8457 4.8457 4.9158 4.9158 5.1472 5.1472 7.3289 7.3289 7.6469 7.6469 8.2377 8.2377 8.7748 8.7748 9.0198 9.0198 k = 0.2037 0.1176 0.4885 ( 9414 PWs) bands (ev): -7.5226 -7.5226 -6.8007 -6.8007 -5.5366 -5.5366 -5.3631 -5.3631 -5.2900 -5.2900 -5.2230 -5.2230 -2.3612 -2.3612 -1.0189 -1.0189 0.0147 0.0147 0.4184 0.4184 0.7928 0.7928 1.3013 1.3013 1.3351 1.3351 1.8291 1.8291 2.7424 2.7424 2.8511 2.8511 3.1522 3.1522 3.4717 3.4717 3.8058 3.8058 3.9628 3.9628 4.2661 4.2661 4.5707 4.5707 4.8265 4.8265 4.8953 4.8953 5.1473 5.1473 7.2801 7.2801 7.6536 7.6536 8.2213 8.2213 8.7824 8.7824 9.0210 9.0210 k = 0.2222 0.1283 0.4885 ( 9416 PWs) bands (ev): -7.5071 -7.5071 -6.7870 -6.7870 -5.5750 -5.5750 -5.3750 -5.3750 -5.3087 -5.3087 -5.2303 -5.2303 -2.3171 -2.3171 -0.9959 -0.9959 -0.0117 -0.0117 0.4252 0.4252 0.7867 0.7867 1.3493 1.3493 1.3992 1.3992 1.9339 1.9339 2.7386 2.7386 2.9033 2.9033 3.0799 3.0799 3.3853 3.3853 3.7712 3.7712 3.9191 3.9191 4.2266 4.2266 4.5316 4.5316 4.7938 4.7938 4.8807 4.8807 5.1536 5.1536 7.2279 7.2279 7.6572 7.6572 8.2075 8.2075 8.7884 8.7884 9.0211 9.0211 k = 0.2407 0.1390 0.4885 ( 9420 PWs) bands (ev): -7.4908 -7.4908 -6.7725 -6.7725 -5.6141 -5.6141 -5.3872 -5.3872 -5.3280 -5.3280 -5.2378 -5.2378 -2.2723 -2.2723 -0.9719 -0.9719 -0.0337 -0.0337 0.4320 0.4320 0.7833 0.7833 1.3998 1.3998 1.4665 1.4665 2.0394 2.0394 2.7133 2.7133 2.9197 2.9197 3.0617 3.0617 3.2986 3.2986 3.7337 3.7337 3.8759 3.8759 4.1901 4.1901 4.4914 4.4914 4.7553 4.7553 4.8669 4.8669 5.1628 5.1628 7.1730 7.1730 7.6591 7.6591 8.1959 8.1959 8.7931 8.7931 9.0212 9.0212 k = 0.2593 0.1497 0.4885 ( 9426 PWs) bands (ev): -7.4738 -7.4738 -6.7576 -6.7576 -5.6534 -5.6534 -5.4000 -5.4000 -5.3472 -5.3472 -5.2455 -5.2455 -2.2277 -2.2277 -0.9473 -0.9473 -0.0511 -0.0511 0.4387 0.4387 0.7832 0.7832 1.4525 1.4525 1.5361 1.5361 2.1431 2.1431 2.6593 2.6593 2.9076 2.9076 3.0829 3.0829 3.2285 3.2285 3.6939 3.6939 3.8340 3.8340 4.1573 4.1573 4.4501 4.4501 4.7142 4.7142 4.8533 4.8533 5.1718 5.1718 7.1157 7.1157 7.6602 7.6602 8.1863 8.1863 8.7967 8.7967 9.0201 9.0201 k = 0.2778 0.1604 0.4885 ( 9424 PWs) bands (ev): -7.4565 -7.4565 -6.7422 -6.7422 -5.6924 -5.6924 -5.4136 -5.4136 -5.3658 -5.3658 -5.2531 -5.2531 -2.1837 -2.1837 -0.9224 -0.9224 -0.0638 -0.0638 0.4453 0.4453 0.7868 0.7868 1.5070 1.5070 1.6073 1.6073 2.2403 2.2403 2.5866 2.5866 2.8993 2.8993 3.0528 3.0528 3.2281 3.2281 3.6528 3.6528 3.7943 3.7943 4.1281 4.1281 4.4076 4.4076 4.6716 4.6716 4.8410 4.8410 5.1781 5.1781 7.0568 7.0568 7.6613 7.6613 8.1783 8.1783 8.7997 8.7997 9.0125 9.0125 k = 0.2963 0.1711 0.4885 ( 9416 PWs) bands (ev): -7.4388 -7.4388 -6.7267 -6.7267 -5.7308 -5.7308 -5.4284 -5.4284 -5.3830 -5.3830 -5.2605 -5.2605 -2.1410 -2.1410 -0.8976 -0.8976 -0.0718 -0.0718 0.4514 0.4514 0.7946 0.7946 1.5624 1.5624 1.6793 1.6793 2.3145 2.3145 2.5223 2.5223 2.8893 2.8893 2.9837 2.9837 3.2794 3.2794 3.6121 3.6121 3.7575 3.7575 4.1023 4.1023 4.3640 4.3640 4.6283 4.6283 4.8314 4.8314 5.1797 5.1797 6.9972 6.9972 7.6628 7.6628 8.1716 8.1716 8.8020 8.8020 8.9762 8.9762 k = 0.3148 0.1818 0.4885 ( 9422 PWs) bands (ev): -7.4212 -7.4212 -6.7112 -6.7112 -5.7681 -5.7681 -5.4446 -5.4446 -5.3981 -5.3981 -5.2677 -5.2677 -2.1002 -2.1002 -0.8734 -0.8734 -0.0751 -0.0751 0.4570 0.4570 0.8066 0.8066 1.6177 1.6177 1.7512 1.7512 2.3160 2.3160 2.5198 2.5198 2.8493 2.8493 2.9423 2.9423 3.3395 3.3395 3.5737 3.5737 3.7249 3.7249 4.0795 4.0795 4.3199 4.3199 4.5848 4.5848 4.8252 4.8252 5.1753 5.1753 6.9380 6.9380 7.6650 7.6650 8.1657 8.1657 8.8027 8.8027 8.8922 8.8922 k = 0.3333 0.1925 0.4885 ( 9422 PWs) bands (ev): -7.4039 -7.4039 -6.6960 -6.6960 -5.8039 -5.8039 -5.4619 -5.4619 -5.4110 -5.4110 -5.2746 -5.2746 -2.0619 -2.0619 -0.8502 -0.8502 -0.0739 -0.0739 0.4619 0.4619 0.8231 0.8231 1.6715 1.6715 1.8215 1.8215 2.2518 2.2518 2.5647 2.5647 2.7905 2.7905 2.9341 2.9341 3.3965 3.3965 3.5413 3.5413 3.6979 3.6979 4.0591 4.0591 4.2757 4.2757 4.5419 4.5419 4.8227 4.8227 5.1639 5.1639 6.8803 6.8803 7.6677 7.6677 8.1604 8.1604 8.7786 8.7786 8.8217 8.8217 k = 0.3519 0.2031 0.4885 ( 9420 PWs) bands (ev): -7.3871 -7.3871 -6.6812 -6.6812 -5.8375 -5.8375 -5.4797 -5.4797 -5.4219 -5.4219 -5.2809 -5.2809 -2.0264 -2.0264 -0.8285 -0.8285 -0.0687 -0.0687 0.4659 0.4659 0.8438 0.8438 1.7214 1.7214 1.8879 1.8879 2.1769 2.1769 2.5749 2.5749 2.7711 2.7711 2.9322 2.9322 3.4384 3.4384 3.5256 3.5256 3.6785 3.6785 4.0404 4.0404 4.2326 4.2326 4.5003 4.5003 4.8235 4.8235 5.1454 5.1454 6.8255 6.8255 7.6705 7.6705 8.1555 8.1555 8.6953 8.6953 8.8153 8.8153 k = 0.3704 0.2138 0.4885 ( 9410 PWs) bands (ev): -7.3711 -7.3711 -6.6673 -6.6673 -5.8687 -5.8687 -5.4972 -5.4972 -5.4311 -5.4311 -5.2868 -5.2868 -1.9943 -1.9943 -0.8085 -0.8085 -0.0600 -0.0600 0.4688 0.4688 0.8684 0.8684 1.7629 1.7629 1.9443 1.9443 2.1134 2.1134 2.5322 2.5322 2.8000 2.8000 2.9306 2.9306 3.4455 3.4455 3.5463 3.5463 3.6695 3.6695 4.0224 4.0224 4.1919 4.1919 4.4610 4.4610 4.8268 4.8268 5.1201 5.1201 6.7749 6.7749 7.6730 7.6730 8.1510 8.1510 8.6143 8.6143 8.8140 8.8140 k = 0.3889 0.2245 0.4885 ( 9420 PWs) bands (ev): -7.3563 -7.3563 -6.6544 -6.6544 -5.8969 -5.8969 -5.5138 -5.5138 -5.4388 -5.4388 -5.2920 -5.2920 -1.9659 -1.9659 -0.7906 -0.7906 -0.0484 -0.0484 0.4706 0.4706 0.8961 0.8961 1.7871 1.7871 1.9772 1.9772 2.0832 2.0832 2.4793 2.4793 2.8284 2.8284 2.9336 2.9336 3.4353 3.4353 3.5853 3.5853 3.6737 3.6737 4.0036 4.0036 4.1553 4.1553 4.4251 4.4251 4.8308 4.8308 5.0896 5.0896 6.7295 6.7295 7.6745 7.6745 8.1470 8.1470 8.5434 8.5434 8.8063 8.8063 k = 0.4074 0.2352 0.4885 ( 9416 PWs) bands (ev): -7.3431 -7.3431 -6.6429 -6.6429 -5.9217 -5.9217 -5.5288 -5.5288 -5.4452 -5.4452 -5.2965 -5.2965 -1.9414 -1.9414 -0.7751 -0.7751 -0.0351 -0.0351 0.4714 0.4714 0.9257 0.9257 1.7822 1.7822 1.9883 1.9883 2.0903 2.0903 2.4425 2.4425 2.8293 2.8293 2.9470 2.9470 3.4265 3.4265 3.6223 3.6223 3.6933 3.6933 3.9826 3.9826 4.1251 4.1251 4.3938 4.3938 4.8327 4.8327 5.0572 5.0572 6.6904 6.6904 7.6747 7.6747 8.1440 8.1440 8.4837 8.4837 8.7834 8.7834 k = 0.4259 0.2459 0.4885 ( 9412 PWs) bands (ev): -7.3317 -7.3317 -6.6330 -6.6330 -5.9427 -5.9427 -5.5418 -5.5418 -5.4504 -5.4504 -5.3003 -5.3003 -1.9212 -1.9212 -0.7622 -0.7622 -0.0212 -0.0212 0.4713 0.4713 0.9558 0.9558 1.7520 1.7520 2.0053 2.0053 2.0958 2.0958 2.4354 2.4354 2.8061 2.8061 2.9627 2.9627 3.4224 3.4224 3.6546 3.6546 3.7244 3.7244 3.9589 3.9589 4.1023 4.1023 4.3683 4.3683 4.8288 4.8288 5.0278 5.0278 6.6581 6.6581 7.6735 7.6735 8.1421 8.1421 8.4354 8.4354 8.7487 8.7487 k = 0.4444 0.2566 0.4885 ( 9410 PWs) bands (ev): -7.3224 -7.3224 -6.6249 -6.6249 -5.9594 -5.9594 -5.5524 -5.5524 -5.4544 -5.4544 -5.3033 -5.3033 -1.9054 -1.9054 -0.7520 -0.7520 -0.0081 -0.0081 0.4705 0.4705 0.9840 0.9840 1.7139 1.7139 2.0279 2.0279 2.0855 2.0855 2.4593 2.4593 2.7686 2.7686 2.9731 2.9731 3.4220 3.4220 3.6851 3.6851 3.7574 3.7574 3.9344 3.9344 4.0867 4.0867 4.3496 4.3496 4.8165 4.8165 5.0064 5.0064 6.6329 6.6329 7.6711 7.6711 8.1415 8.1415 8.3982 8.3982 8.7145 8.7145 k = 0.4630 0.2673 0.4885 ( 9400 PWs) bands (ev): -7.3156 -7.3156 -6.6190 -6.6190 -5.9716 -5.9716 -5.5602 -5.5602 -5.4573 -5.4573 -5.3055 -5.3055 -1.8940 -1.8940 -0.7447 -0.7447 0.0026 0.0026 0.4695 0.4695 1.0076 1.0076 1.6802 1.6802 2.0476 2.0476 2.0682 2.0682 2.5033 2.5033 2.7222 2.7222 2.9778 2.9778 3.4234 3.4234 3.7147 3.7147 3.7817 3.7817 3.9136 3.9136 4.0767 4.0767 4.3379 4.3379 4.7982 4.7982 4.9946 4.9946 6.6149 6.6149 7.6684 7.6684 8.1419 8.1419 8.3718 8.3718 8.6873 8.6873 k = 0.4815 0.2780 0.4885 ( 9384 PWs) bands (ev): -7.3114 -7.3114 -6.6154 -6.6154 -5.9791 -5.9791 -5.5649 -5.5649 -5.4590 -5.4590 -5.3068 -5.3068 -1.8871 -1.8871 -0.7403 -0.7403 0.0096 0.0096 0.4686 0.4686 1.0235 1.0235 1.6577 1.6577 2.0507 2.0507 2.0642 2.0642 2.5570 2.5570 2.6697 2.6697 2.9793 2.9793 3.4250 3.4250 3.7417 3.7417 3.7886 3.7886 3.9024 3.9024 4.0710 4.0710 4.3323 4.3323 4.7816 4.7816 4.9898 4.9898 6.6042 6.6042 7.6662 7.6662 8.1428 8.1428 8.3558 8.3558 8.6701 8.6701 k = 0.5000 0.2887 0.4885 ( 9380 PWs) bands (ev): -7.3100 -7.3100 -6.6142 -6.6142 -5.9816 -5.9816 -5.5665 -5.5665 -5.4596 -5.4596 -5.3072 -5.3072 -1.8849 -1.8849 -0.7388 -0.7388 0.0121 0.0121 0.4683 0.4683 1.0292 1.0292 1.6497 1.6497 2.0459 2.0459 2.0682 2.0682 2.6134 2.6134 2.6141 2.6141 2.9795 2.9795 3.4257 3.4257 3.7565 3.7565 3.7843 3.7843 3.8998 3.8998 4.0691 4.0691 4.3307 4.3307 4.7749 4.7749 4.9886 4.9886 6.6006 6.6006 7.6654 7.6654 8.1432 8.1432 8.3504 8.3504 8.6642 8.6642 k = 0.5000 0.2887 0.4885 ( 9380 PWs) bands (ev): -7.3100 -7.3100 -6.6142 -6.6142 -5.9816 -5.9816 -5.5665 -5.5665 -5.4596 -5.4596 -5.3072 -5.3072 -1.8849 -1.8849 -0.7388 -0.7388 0.0121 0.0121 0.4683 0.4683 1.0292 1.0292 1.6497 1.6497 2.0459 2.0459 2.0682 2.0682 2.6134 2.6134 2.6141 2.6141 2.9795 2.9795 3.4257 3.4257 3.7565 3.7565 3.7843 3.7843 3.8998 3.8998 4.0691 4.0691 4.3307 4.3307 4.7749 4.7749 4.9886 4.9886 6.6006 6.6006 7.6654 7.6654 8.1432 8.1432 8.3504 8.3504 8.6642 8.6642 k = 0.4896 0.3067 0.4885 ( 9382 PWs) bands (ev): -7.3096 -7.3096 -6.6139 -6.6139 -5.9810 -5.9810 -5.5673 -5.5673 -5.4610 -5.4610 -5.3075 -5.3075 -1.8824 -1.8824 -0.7365 -0.7365 0.0115 0.0115 0.4660 0.4660 1.0278 1.0278 1.6466 1.6466 2.0062 2.0062 2.1076 2.1076 2.6117 2.6117 2.6212 2.6212 2.9802 2.9802 3.4253 3.4253 3.7553 3.7553 3.7862 3.7862 3.8995 3.8995 4.0705 4.0705 4.3321 4.3321 4.7771 4.7771 4.9898 4.9898 6.5952 6.5952 7.6535 7.6535 8.1295 8.1295 8.3596 8.3596 8.6651 8.6651 k = 0.4792 0.3248 0.4885 ( 9402 PWs) bands (ev): -7.3086 -7.3086 -6.6129 -6.6129 -5.9791 -5.9791 -5.5696 -5.5696 -5.4652 -5.4652 -5.3085 -5.3085 -1.8749 -1.8749 -0.7299 -0.7299 0.0097 0.0097 0.4593 0.4593 1.0237 1.0237 1.6371 1.6371 1.9570 1.9570 2.1559 2.1559 2.6149 2.6149 2.6341 2.6341 2.9822 2.9822 3.4239 3.4239 3.7530 3.7530 3.7911 3.7911 3.8989 3.8989 4.0745 4.0745 4.3360 4.3360 4.7835 4.7835 4.9933 4.9933 6.5793 6.5793 7.6189 7.6189 8.0933 8.0933 8.3822 8.3822 8.6683 8.6683 k = 0.4688 0.3428 0.4885 ( 9398 PWs) bands (ev): -7.3068 -7.3068 -6.6113 -6.6113 -5.9761 -5.9761 -5.5741 -5.5741 -5.4710 -5.4710 -5.3103 -5.3103 -1.8628 -1.8628 -0.7190 -0.7190 0.0069 0.0069 0.4484 0.4484 1.0173 1.0173 1.6218 1.6218 1.9076 1.9076 2.2040 2.2040 2.6228 2.6228 2.6522 2.6522 2.9851 2.9851 3.4209 3.4209 3.7510 3.7510 3.7979 3.7979 3.8983 3.8983 4.0805 4.0805 4.3423 4.3423 4.7937 4.7937 4.9992 4.9992 6.5539 6.5539 7.5638 7.5638 8.0419 8.0419 8.4110 8.4110 8.6751 8.6751 k = 0.4583 0.3608 0.4885 ( 9398 PWs) bands (ev): -7.3044 -7.3044 -6.6092 -6.6092 -5.9719 -5.9719 -5.5817 -5.5817 -5.4771 -5.4771 -5.3133 -5.3133 -1.8463 -1.8463 -0.7043 -0.7043 0.0032 0.0032 0.4334 0.4334 1.0093 1.0093 1.6010 1.6010 1.8586 1.8586 2.2516 2.2516 2.6349 2.6349 2.6750 2.6750 2.9888 2.9888 3.4156 3.4156 3.7505 3.7505 3.8064 3.8064 3.8983 3.8983 4.0881 4.0881 4.3506 4.3506 4.8071 4.8071 5.0074 5.0074 6.5208 6.5208 7.4917 7.4917 7.9805 7.9805 8.4414 8.4414 8.6869 8.6869 k = 0.4479 0.3789 0.4885 ( 9412 PWs) bands (ev): -7.3014 -7.3014 -6.6065 -6.6065 -5.9666 -5.9666 -5.5929 -5.5929 -5.4821 -5.4821 -5.3176 -5.3176 -1.8260 -1.8260 -0.6861 -0.6861 -0.0010 -0.0010 0.4146 0.4146 1.0006 1.0006 1.5752 1.5752 1.8105 1.8105 2.2985 2.2985 2.6502 2.6502 2.7019 2.7019 2.9926 2.9926 3.4071 3.4071 3.7514 3.7514 3.8174 3.8174 3.8989 3.8989 4.0969 4.0969 4.3605 4.3605 4.8228 4.8228 5.0181 5.0181 6.4821 6.4821 7.4060 7.4060 7.9126 7.9126 8.4710 8.4710 8.7051 8.7051 k = 0.4375 0.3969 0.4885 ( 9416 PWs) bands (ev): -7.2979 -7.2979 -6.6034 -6.6034 -5.9600 -5.9600 -5.6083 -5.6083 -5.4851 -5.4851 -5.3234 -5.3234 -1.8024 -1.8024 -0.6650 -0.6650 -0.0053 -0.0053 0.3925 0.3925 0.9920 0.9920 1.5450 1.5450 1.7638 1.7638 2.3448 2.3448 2.6681 2.6681 2.7323 2.7323 2.9960 2.9960 3.3951 3.3951 3.7532 3.7532 3.8313 3.8313 3.9005 3.9005 4.1070 4.1070 4.3713 4.3713 4.8396 4.8396 5.0312 5.0312 6.4403 6.4403 7.3097 7.3097 7.8411 7.8411 8.4981 8.4981 8.7304 8.7304 k = 0.4271 0.4150 0.4885 ( 9420 PWs) bands (ev): -7.2940 -7.2940 -6.5999 -6.5999 -5.9523 -5.9523 -5.6273 -5.6273 -5.4858 -5.4858 -5.3308 -5.3308 -1.7764 -1.7764 -0.6417 -0.6417 -0.0093 -0.0093 0.3675 0.3675 0.9846 0.9846 1.5111 1.5111 1.7191 1.7191 2.3902 2.3902 2.6877 2.6877 2.7652 2.7652 2.9985 2.9985 3.3796 3.3796 3.7553 3.7553 3.8474 3.8474 3.9039 3.9039 4.1187 4.1187 4.3823 4.3823 4.8559 4.8559 5.0470 5.0470 6.3982 6.3982 7.2061 7.2061 7.7687 7.7687 8.5218 8.5218 8.7628 8.7628 k = 0.4167 0.4330 0.4885 ( 9424 PWs) bands (ev): -7.2898 -7.2898 -6.5961 -6.5961 -5.9435 -5.9435 -5.6493 -5.6493 -5.4843 -5.4843 -5.3395 -5.3395 -1.7489 -1.7489 -0.6171 -0.6171 -0.0123 -0.0123 0.3400 0.3400 0.9794 0.9794 1.4741 1.4741 1.6768 1.6768 2.4348 2.4348 2.7083 2.7083 2.7997 2.7997 2.9998 2.9998 3.3606 3.3606 3.7576 3.7576 3.8618 3.8618 3.9124 3.9124 4.1323 4.1323 4.3925 4.3925 4.8700 4.8700 5.0654 5.0654 6.3585 6.3585 7.0978 7.0978 7.6978 7.6978 8.5421 8.5421 8.8000 8.8000 k = 0.4062 0.4511 0.4885 ( 9438 PWs) bands (ev): -7.2854 -7.2854 -6.5922 -6.5922 -5.9336 -5.9336 -5.6733 -5.6733 -5.4811 -5.4811 -5.3496 -5.3496 -1.7208 -1.7208 -0.5920 -0.5920 -0.0137 -0.0137 0.3105 0.3105 0.9775 0.9775 1.4345 1.4345 1.6375 1.6375 2.4783 2.4783 2.7290 2.7290 2.8350 2.8350 2.9997 2.9997 3.3386 3.3386 3.7598 3.7598 3.8690 3.8690 3.9305 3.9305 4.1481 4.1481 4.4010 4.4010 4.8805 4.8805 5.0862 5.0862 6.3240 6.3240 6.9877 6.9877 7.6305 7.6305 8.5597 8.5597 8.8375 8.8375 k = 0.3958 0.4691 0.4885 ( 9432 PWs) bands (ev): -7.2810 -7.2810 -6.5883 -6.5883 -5.9226 -5.9226 -5.6984 -5.6984 -5.4765 -5.4765 -5.3606 -5.3606 -1.6932 -1.6932 -0.5674 -0.5674 -0.0128 -0.0128 0.2794 0.2794 0.9798 0.9798 1.3931 1.3931 1.6015 1.6015 2.5206 2.5206 2.7488 2.7488 2.8701 2.8701 2.9984 2.9984 3.3138 3.3138 3.7621 3.7621 3.8694 3.8694 3.9560 3.9560 4.1665 4.1665 4.4070 4.4070 4.8865 4.8865 5.1089 5.1089 6.2972 6.2972 6.8782 6.8782 7.5687 7.5687 8.5754 8.5754 8.8697 8.8697 k = 0.3854 0.4871 0.4885 ( 9432 PWs) bands (ev): -7.2767 -7.2767 -6.5845 -6.5845 -5.9106 -5.9106 -5.7239 -5.7239 -5.4707 -5.4707 -5.3723 -5.3723 -1.6673 -1.6673 -0.5443 -0.5443 -0.0087 -0.0087 0.2473 0.2473 0.9870 0.9870 1.3505 1.3505 1.5694 1.5694 2.5613 2.5613 2.7665 2.7665 2.9037 2.9037 2.9968 2.9968 3.2866 3.2866 3.7644 3.7644 3.8663 3.8663 3.9844 3.9844 4.1878 4.1878 4.4092 4.4092 4.8878 4.8878 5.1323 5.1323 6.2800 6.2800 6.7719 6.7719 7.5139 7.5139 8.5896 8.5896 8.8949 8.8949 k = 0.3750 0.5052 0.4885 ( 9424 PWs) bands (ev): -7.2728 -7.2728 -6.5811 -6.5811 -5.8976 -5.8976 -5.7492 -5.7492 -5.4640 -5.4640 -5.3845 -5.3845 -1.6442 -1.6442 -0.5237 -0.5237 -0.0007 -0.0007 0.2147 0.2147 0.9998 0.9998 1.3076 1.3076 1.5415 1.5415 2.6002 2.6002 2.7805 2.7805 2.9342 2.9342 2.9965 2.9965 3.2574 3.2574 3.7669 3.7669 3.8619 3.8619 4.0119 4.0119 4.2120 4.2120 4.4068 4.4068 4.8851 4.8851 5.1547 5.1547 6.2738 6.2738 6.6715 6.6715 7.4674 7.4674 8.6022 8.6022 8.9160 8.9160 k = 0.3646 0.5232 0.4885 ( 9420 PWs) bands (ev): -7.2694 -7.2694 -6.5780 -6.5780 -5.8835 -5.8835 -5.7735 -5.7735 -5.4565 -5.4565 -5.3967 -5.3967 -1.6250 -1.6250 -0.5065 -0.5065 0.0117 0.0117 0.1820 0.1820 1.0183 1.0183 1.2652 1.2652 1.5184 1.5184 2.6364 2.6364 2.7893 2.7893 2.9592 2.9592 3.0002 3.0002 3.2274 3.2274 3.7691 3.7691 3.8572 3.8572 4.0361 4.0361 4.2391 4.2391 4.3985 4.3985 4.8797 4.8797 5.1746 5.1746 6.2792 6.2792 6.5799 6.5799 7.4303 7.4303 8.6127 8.6127 8.9371 8.9371 k = 0.3542 0.5413 0.4885 ( 9432 PWs) bands (ev): -7.2667 -7.2667 -6.5757 -6.5757 -5.8686 -5.8686 -5.7964 -5.7964 -5.4482 -5.4482 -5.4085 -5.4085 -1.6105 -1.6105 -0.4937 -0.4937 0.0286 0.0286 0.1500 0.1500 1.0417 1.0417 1.2247 1.2247 1.5006 1.5006 2.6683 2.6683 2.7917 2.7917 2.9764 2.9764 3.0090 3.0090 3.1990 3.1990 3.7711 3.7711 3.8531 3.8531 4.0550 4.0550 4.2686 4.2686 4.3837 4.3837 4.8736 4.8736 5.1903 5.1903 6.2955 6.2955 6.5002 6.5002 7.4034 7.4034 8.6203 8.6203 8.9614 8.9614 k = 0.3438 0.5593 0.4885 ( 9452 PWs) bands (ev): -7.2650 -7.2650 -6.5741 -6.5741 -5.8527 -5.8527 -5.8173 -5.8173 -5.4394 -5.4394 -5.4197 -5.4197 -1.6014 -1.6014 -0.4857 -0.4857 0.0493 0.0493 0.1202 0.1202 1.0667 1.0667 1.1899 1.1899 1.4890 1.4890 2.6925 2.6925 2.7894 2.7894 2.9884 2.9884 3.0164 3.0164 3.1774 3.1774 3.7724 3.7724 3.8503 3.8503 4.0672 4.0672 4.2997 4.2997 4.3621 4.3621 4.8687 4.8687 5.2004 5.2004 6.3198 6.3198 6.4372 6.4372 7.3871 7.3871 8.6246 8.6246 8.9910 8.9910 k = 0.3333 0.5774 0.4885 ( 9456 PWs) bands (ev): -7.2643 -7.2643 -6.5736 -6.5736 -5.8372 -5.8372 -5.8346 -5.8346 -5.4310 -5.4310 -5.4289 -5.4289 -1.5984 -1.5984 -0.4830 -0.4830 0.0640 0.0640 0.1025 0.1025 1.0804 1.0804 1.1731 1.1731 1.4848 1.4848 2.7023 2.7023 2.7873 2.7873 2.9952 2.9952 3.0164 3.0164 3.1694 3.1694 3.7729 3.7729 3.8493 3.8493 4.0714 4.0714 4.3262 4.3262 4.3387 4.3387 4.8668 4.8668 5.2039 5.2039 6.3365 6.3365 6.4075 6.4075 7.3817 7.3817 8.6260 8.6260 9.0262 9.0264 k = 0.3333 0.5774 0.4885 ( 9456 PWs) bands (ev): -7.2643 -7.2643 -6.5736 -6.5736 -5.8372 -5.8372 -5.8346 -5.8346 -5.4310 -5.4310 -5.4289 -5.4289 -1.5984 -1.5984 -0.4830 -0.4830 0.0640 0.0640 0.1025 0.1025 1.0804 1.0804 1.1731 1.1731 1.4848 1.4848 2.7023 2.7023 2.7873 2.7873 2.9952 2.9952 3.0164 3.0164 3.1694 3.1694 3.7729 3.7729 3.8493 3.8493 4.0714 4.0714 4.3262 4.3262 4.3387 4.3387 4.8668 4.8668 5.2039 5.2039 6.3365 6.3365 6.4075 6.4075 7.3817 7.3817 8.6260 8.6260 9.0262 9.0263 k = 0.3226 0.5587 0.4885 ( 9452 PWs) bands (ev): -7.2651 -7.2651 -6.5742 -6.5742 -5.8521 -5.8521 -5.8176 -5.8176 -5.4392 -5.4392 -5.4198 -5.4198 -1.6017 -1.6017 -0.4859 -0.4859 0.0470 0.0470 0.1225 0.1225 1.0646 1.0646 1.1916 1.1916 1.4899 1.4899 2.6917 2.6917 2.7883 2.7883 2.9843 2.9843 3.0225 3.0225 3.1768 3.1768 3.7723 3.7723 3.8504 3.8504 4.0667 4.0667 4.2954 4.2954 4.3662 4.3662 4.8692 4.8692 5.2002 5.2002 6.3221 6.3221 6.4355 6.4355 7.3874 7.3874 8.6249 8.6249 8.9935 8.9936 k = 0.3118 0.5401 0.4885 ( 9432 PWs) bands (ev): -7.2674 -7.2674 -6.5762 -6.5762 -5.8650 -5.8650 -5.7985 -5.7985 -5.4467 -5.4467 -5.4092 -5.4092 -1.6115 -1.6115 -0.4944 -0.4944 0.0204 0.0204 0.1578 0.1578 1.0330 1.0330 1.2303 1.2303 1.5067 1.5067 2.6646 2.6646 2.7819 2.7819 2.9669 2.9669 3.0341 3.0341 3.1944 3.1944 3.7704 3.7704 3.8537 3.8537 4.0523 4.0523 4.2542 4.2542 4.3987 4.3987 4.8768 4.8768 5.1891 5.1891 6.3082 6.3082 6.4893 6.4893 7.4046 7.4046 8.6223 8.6223 8.9749 8.9749 k = 0.3011 0.5215 0.4885 ( 9424 PWs) bands (ev): -7.2714 -7.2714 -6.5798 -6.5798 -5.8742 -5.8742 -5.7786 -5.7786 -5.4522 -5.4522 -5.3984 -5.3984 -1.6275 -1.6275 -0.5081 -0.5081 -0.0057 -0.0057 0.1970 0.1970 0.9985 0.9985 1.2742 1.2742 1.5371 1.5371 2.6273 2.6273 2.7567 2.7567 2.9589 2.9589 3.0454 3.0454 3.2173 3.2173 3.7668 3.7668 3.8588 3.8588 4.0286 4.0286 4.2105 4.2105 4.4306 4.4306 4.8892 4.8892 5.1718 5.1718 6.3086 6.3086 6.5525 6.5525 7.4329 7.4329 8.6194 8.6194 8.9712 8.9712 k = 0.2903 0.5029 0.4885 ( 9422 PWs) bands (ev): -7.2772 -7.2772 -6.5848 -6.5848 -5.8796 -5.8796 -5.7579 -5.7579 -5.4557 -5.4557 -5.3872 -5.3872 -1.6493 -1.6493 -0.5267 -0.5267 -0.0299 -0.0299 0.2374 0.2374 0.9647 0.9647 1.3185 1.3185 1.5822 1.5822 2.5833 2.5833 2.7135 2.7135 2.9599 2.9599 3.0554 3.0554 3.2430 3.2430 3.7609 3.7609 3.8643 3.8643 3.9973 3.9973 4.1683 4.1683 4.4618 4.4618 4.9056 4.9056 5.1498 5.1498 6.3242 6.3242 6.6211 6.6211 7.4718 7.4718 8.6176 8.6176 8.9816 8.9816 k = 0.2796 0.4842 0.4885 ( 9422 PWs) bands (ev): -7.2848 -7.2848 -6.5915 -6.5915 -5.8810 -5.8810 -5.7363 -5.7363 -5.4570 -5.4570 -5.3759 -5.3759 -1.6763 -1.6763 -0.5493 -0.5493 -0.0518 -0.0518 0.2770 0.2770 0.9325 0.9325 1.3624 1.3624 1.6404 1.6404 2.5341 2.5341 2.6602 2.6602 2.9625 2.9625 3.0639 3.0639 3.2702 3.2702 3.7519 3.7519 3.8653 3.8653 3.9641 3.9641 4.1316 4.1316 4.4920 4.4920 4.9241 4.9241 5.1253 5.1253 6.3534 6.3534 6.6930 6.6930 7.5207 7.5207 8.6181 8.6181 9.0041 9.0041 k = 0.2688 0.4656 0.4885 ( 9424 PWs) bands (ev): -7.2943 -7.2943 -6.5998 -6.5998 -5.8783 -5.8783 -5.7141 -5.7141 -5.4561 -5.4561 -5.3644 -5.3644 -1.7079 -1.7079 -0.5754 -0.5754 -0.0710 -0.0710 0.3140 0.3140 0.9028 0.9028 1.4067 1.4067 1.7085 1.7085 2.4802 2.4802 2.6044 2.6044 2.9601 2.9601 3.0703 3.0703 3.2982 3.2982 3.7387 3.7387 3.8501 3.8501 3.9441 3.9441 4.1037 4.1037 4.5211 4.5211 4.9425 4.9425 5.1011 5.1011 6.3940 6.3940 6.7666 6.7666 7.5786 7.5786 8.6220 8.6220 9.0344 9.0344 k = 0.2581 0.4470 0.4885 ( 9430 PWs) bands (ev): -7.3055 -7.3055 -6.6096 -6.6096 -5.8716 -5.8716 -5.6912 -5.6912 -5.4530 -5.4530 -5.3529 -5.3529 -1.7435 -1.7435 -0.6043 -0.6043 -0.0874 -0.0874 0.3470 0.3470 0.8756 0.8756 1.4519 1.4519 1.7825 1.7825 2.4210 2.4210 2.5536 2.5536 2.9491 2.9491 3.0735 3.0735 3.3266 3.3266 3.7185 3.7185 3.8177 3.8177 3.9448 3.9448 4.0863 4.0863 4.5488 4.5488 4.9575 4.9575 5.0810 5.0810 6.4439 6.4439 6.8406 6.8406 7.6442 7.6442 8.6305 8.6305 9.0599 9.0599 k = 0.2473 0.4284 0.4885 ( 9416 PWs) bands (ev): -7.3183 -7.3183 -6.6208 -6.6208 -5.8609 -5.8609 -5.6676 -5.6676 -5.4478 -5.4478 -5.3414 -5.3414 -1.7825 -1.7825 -0.6354 -0.6354 -0.1007 -0.1007 0.3751 0.3751 0.8512 0.8512 1.4968 1.4968 1.8581 1.8581 2.3555 2.3555 2.5158 2.5158 2.9273 2.9273 3.0714 3.0714 3.3550 3.3550 3.6873 3.6873 3.7878 3.7878 3.9549 3.9549 4.0804 4.0804 4.5748 4.5748 4.9654 4.9654 5.0697 5.0697 6.5008 6.5008 6.9141 6.9141 7.7158 7.7158 8.6445 8.6445 9.0598 9.0598 k = 0.2366 0.4097 0.4885 ( 9412 PWs) bands (ev): -7.3325 -7.3325 -6.6333 -6.6333 -5.8465 -5.8465 -5.6435 -5.6435 -5.4406 -5.4406 -5.3299 -5.3299 -1.8245 -1.8245 -0.6680 -0.6680 -0.1110 -0.1110 0.3979 0.3979 0.8299 0.8299 1.5379 1.5379 1.9317 1.9317 2.2838 2.2838 2.4983 2.4983 2.8932 2.8932 3.0633 3.0633 3.3833 3.3833 3.6454 3.6454 3.7711 3.7711 3.9669 3.9669 4.0866 4.0866 4.5985 4.5985 4.9644 4.9644 5.0693 5.0693 6.5630 6.5630 6.9863 6.9863 7.7910 7.7910 8.6652 8.6652 9.0426 9.0426 k = 0.2258 0.3911 0.4885 ( 9408 PWs) bands (ev): -7.3481 -7.3481 -6.6469 -6.6469 -5.8285 -5.8285 -5.6190 -5.6190 -5.4316 -5.4316 -5.3185 -5.3185 -1.8688 -1.8688 -0.7018 -0.7018 -0.1180 -0.1180 0.4154 0.4154 0.8117 0.8117 1.5696 1.5696 2.0004 2.0004 2.2087 2.2087 2.5056 2.5056 2.8464 2.8464 3.0496 3.0496 3.4106 3.4106 3.5988 3.5988 3.7672 3.7672 3.9790 3.9790 4.1043 4.1043 4.6196 4.6196 4.9589 4.9589 5.0764 5.0764 6.6288 6.6288 7.0569 7.0569 7.8666 7.8666 8.6944 8.6944 9.0235 9.0235 k = 0.2151 0.3725 0.4885 ( 9422 PWs) bands (ev): -7.3646 -7.3646 -6.6614 -6.6614 -5.8073 -5.8073 -5.5942 -5.5942 -5.4210 -5.4210 -5.3073 -5.3073 -1.9150 -1.9150 -0.7361 -0.7361 -0.1217 -0.1217 0.4280 0.4280 0.7966 0.7966 1.5863 1.5863 2.0547 2.0547 2.1437 2.1437 2.5359 2.5359 2.7900 2.7900 3.0324 3.0324 3.4327 3.4327 3.5550 3.5550 3.7733 3.7733 3.9921 3.9921 4.1313 4.1313 4.6381 4.6381 4.9542 4.9542 5.0858 5.0858 6.6967 6.6967 7.1255 7.1255 7.9389 7.9389 8.7338 8.7338 9.0070 9.0070 k = 0.2043 0.3539 0.4885 ( 9398 PWs) bands (ev): -7.3819 -7.3819 -6.6766 -6.6766 -5.7831 -5.7831 -5.5692 -5.5692 -5.4090 -5.4090 -5.2963 -5.2963 -1.9628 -1.9628 -0.7705 -0.7705 -0.1219 -0.1219 0.4362 0.4362 0.7847 0.7847 1.5846 1.5846 2.0222 2.0222 2.1667 2.1667 2.5716 2.5716 2.7398 2.7398 3.0136 3.0136 3.4325 3.4325 3.5316 3.5316 3.7877 3.7877 4.0076 4.0076 4.1653 4.1653 4.6539 4.6539 4.9533 4.9533 5.0943 5.0943 6.7657 6.7657 7.1920 7.1920 8.0043 8.0043 8.7851 8.7851 8.9941 8.9941 k = 0.1935 0.3352 0.4885 ( 9406 PWs) bands (ev): -7.3998 -7.3998 -6.6923 -6.6923 -5.7562 -5.7562 -5.5442 -5.5442 -5.3958 -5.3958 -5.2855 -5.2855 -2.0116 -2.0116 -0.8047 -0.8047 -0.1186 -0.1186 0.4406 0.4406 0.7759 0.7759 1.5657 1.5657 1.9436 1.9436 2.2396 2.2396 2.5581 2.5581 2.7477 2.7477 2.9953 2.9953 3.3944 3.3944 3.5441 3.5441 3.8085 3.8085 4.0265 4.0265 4.2049 4.2049 4.6678 4.6678 4.9567 4.9567 5.1005 5.1005 6.8347 6.8347 7.2561 7.2561 8.0598 8.0598 8.8483 8.8483 8.9848 8.9848 k = 0.1828 0.3166 0.4885 ( 9412 PWs) bands (ev): -7.4179 -7.4179 -6.7082 -6.7082 -5.7270 -5.7270 -5.5194 -5.5194 -5.3816 -5.3816 -5.2751 -5.2751 -2.0613 -2.0613 -0.8383 -0.8383 -0.1118 -0.1118 0.4420 0.4420 0.7703 0.7703 1.5336 1.5336 1.8602 1.8602 2.3139 2.3139 2.4963 2.4963 2.8154 2.8154 2.9801 2.9801 3.3385 3.3385 3.5725 3.5725 3.8342 3.8342 4.0490 4.0490 4.2490 4.2490 4.6806 4.6806 4.9638 4.9638 5.1041 5.1041 6.9029 6.9029 7.3175 7.3175 8.1040 8.1040 8.9180 8.9180 8.9797 8.9797 k = 0.1720 0.2980 0.4885 ( 9404 PWs) bands (ev): -7.4362 -7.4362 -6.7243 -6.7243 -5.6959 -5.6959 -5.4949 -5.4949 -5.3666 -5.3666 -5.2651 -5.2651 -2.1113 -2.1113 -0.8711 -0.8711 -0.1013 -0.1013 0.4410 0.4410 0.7676 0.7676 1.4928 1.4928 1.7766 1.7766 2.3292 2.3292 2.4792 2.4792 2.8924 2.8924 2.9776 2.9776 3.2775 3.2775 3.6056 3.6056 3.8632 3.8632 4.0750 4.0750 4.2969 4.2969 4.6935 4.6935 4.9727 4.9727 5.1052 5.1052 6.9698 6.9698 7.3758 7.3758 8.1375 8.1375 8.9567 8.9567 8.9984 8.9984 k = 0.1613 0.2794 0.4885 ( 9416 PWs) bands (ev): -7.4543 -7.4543 -6.7402 -6.7402 -5.6633 -5.6633 -5.4711 -5.4711 -5.3510 -5.3510 -5.2555 -5.2555 -2.1614 -2.1614 -0.9028 -0.9028 -0.0871 -0.0871 0.4382 0.4382 0.7678 0.7678 1.4471 1.4471 1.6939 1.6939 2.2509 2.2509 2.5485 2.5485 2.9253 2.9253 3.0253 3.0253 3.2201 3.2201 3.6403 3.6403 3.8944 3.8944 4.1044 4.1044 4.3481 4.3481 4.7074 4.7074 4.9811 4.9811 5.1051 5.1051 7.0349 7.0349 7.4303 7.4303 8.1622 8.1622 8.9513 8.9513 9.0156 9.0156 k = 0.1505 0.2607 0.4885 ( 9436 PWs) bands (ev): -7.4720 -7.4720 -6.7559 -6.7559 -5.6295 -5.6295 -5.4481 -5.4481 -5.3349 -5.3349 -5.2463 -5.2463 -2.2112 -2.2112 -0.9331 -0.9331 -0.0691 -0.0691 0.4340 0.4340 0.7706 0.7706 1.3992 1.3992 1.6133 1.6133 2.1504 2.1504 2.6289 2.6289 2.9287 2.9287 3.0787 3.0787 3.1987 3.1987 3.6754 3.6754 3.9271 3.9271 4.1367 4.1367 4.4018 4.4018 4.7231 4.7231 4.9862 4.9862 5.1056 5.1056 7.0976 7.0976 7.4802 7.4802 8.1808 8.1808 8.9379 8.9379 9.0107 9.0107 k = 0.1398 0.2421 0.4885 ( 9432 PWs) bands (ev): -7.4893 -7.4893 -6.7712 -6.7712 -5.5950 -5.5950 -5.4262 -5.4262 -5.3186 -5.3186 -5.2376 -5.2376 -2.2603 -2.2603 -0.9619 -0.9619 -0.0475 -0.0475 0.4289 0.4289 0.7757 0.7757 1.3509 1.3509 1.5352 1.5352 2.0450 2.0450 2.6932 2.6932 2.9301 2.9301 3.0692 3.0692 3.2631 3.2631 3.7103 3.7103 3.9604 3.9604 4.1718 4.1718 4.4569 4.4569 4.7416 4.7416 4.9851 4.9851 5.1093 5.1093 7.1577 7.1577 7.5243 7.5243 8.1957 8.1957 8.9189 8.9189 9.0009 9.0009 k = 0.1290 0.2235 0.4885 ( 9422 PWs) bands (ev): -7.5058 -7.5058 -6.7858 -6.7858 -5.5601 -5.5601 -5.4055 -5.4055 -5.3021 -5.3021 -5.2294 -5.2294 -2.3084 -2.3084 -0.9890 -0.9890 -0.0221 -0.0221 0.4232 0.4232 0.7828 0.7828 1.3036 1.3036 1.4606 1.4606 1.9388 1.9388 2.7289 2.7289 2.9071 2.9071 3.0848 3.0848 3.3554 3.3554 3.7444 3.7444 3.9936 3.9936 4.2096 4.2096 4.5118 4.5118 4.7637 4.7637 4.9766 4.9766 5.1173 5.1173 7.2150 7.2150 7.5613 7.5613 8.2091 8.2091 8.8945 8.8945 8.9897 8.9897 k = 0.1183 0.2049 0.4885 ( 9422 PWs) bands (ev): -7.5215 -7.5215 -6.7998 -6.7998 -5.5254 -5.5254 -5.3862 -5.3862 -5.2858 -5.2858 -5.2218 -5.2218 -2.3550 -2.3550 -1.0142 -1.0142 0.0070 0.0070 0.4173 0.4173 0.7915 0.7915 1.2581 1.2581 1.3900 1.3900 1.8335 1.8335 2.7391 2.7391 2.8538 2.8538 3.1521 3.1521 3.4488 3.4488 3.7775 3.7775 4.0262 4.0262 4.2496 4.2496 4.5646 4.5646 4.7897 4.7897 4.9622 4.9622 5.1294 5.1294 7.2690 7.2690 7.5896 7.5896 8.2228 8.2228 8.8656 8.8656 8.9776 8.9776 k = 0.1075 0.1862 0.4885 ( 9418 PWs) bands (ev): -7.5363 -7.5363 -6.8129 -6.8129 -5.4913 -5.4913 -5.3685 -5.3685 -5.2699 -5.2699 -5.2147 -5.2147 -2.3997 -2.3997 -1.0375 -1.0375 0.0397 0.0397 0.4113 0.4113 0.8013 0.8013 1.2146 1.2146 1.3246 1.3246 1.7304 1.7304 2.7322 2.7322 2.7940 2.7940 3.2430 3.2430 3.5375 3.5375 3.8093 3.8093 4.0575 4.0575 4.2915 4.2915 4.6129 4.6129 4.8183 4.8183 4.9463 4.9463 5.1444 5.1444 7.3196 7.3196 7.6079 7.6079 8.2382 8.2382 8.8345 8.8345 8.9641 8.9641 k = 0.0968 0.1676 0.4885 ( 9394 PWs) bands (ev): -7.5499 -7.5499 -6.8250 -6.8250 -5.4581 -5.4581 -5.3525 -5.3525 -5.2546 -5.2546 -5.2083 -5.2083 -2.4422 -2.4422 -1.0588 -1.0588 0.0758 0.0758 0.4054 0.4054 0.8115 0.8115 1.1726 1.1726 1.2658 1.2658 1.6305 1.6305 2.7000 2.7000 2.7520 2.7520 3.3422 3.3422 3.6187 3.6187 3.8394 3.8394 4.0871 4.0871 4.3340 4.3340 4.6550 4.6550 4.8416 4.8416 4.9392 4.9392 5.1616 5.1616 7.3664 7.3664 7.6150 7.6150 8.2558 8.2558 8.8035 8.8035 8.9487 8.9487 k = 0.0860 0.1490 0.4885 ( 9398 PWs) bands (ev): -7.5624 -7.5624 -6.8362 -6.8362 -5.4265 -5.4265 -5.3382 -5.3382 -5.2401 -5.2401 -5.2025 -5.2025 -2.4819 -2.4819 -1.0779 -1.0779 0.1152 0.1152 0.3998 0.3998 0.8215 0.8215 1.1303 1.1303 1.2160 1.2160 1.5349 1.5349 2.6429 2.6429 2.7344 2.7344 3.4438 3.4438 3.6908 3.6908 3.8677 3.8677 4.1145 4.1145 4.3747 4.3747 4.6903 4.6903 4.8456 4.8456 4.9558 4.9558 5.1814 5.1814 7.4088 7.4088 7.6110 7.6110 8.2758 8.2758 8.7750 8.7750 8.9311 8.9311 k = 0.0753 0.1304 0.4885 ( 9398 PWs) bands (ev): -7.5736 -7.5736 -6.8461 -6.8461 -5.3968 -5.3968 -5.3255 -5.3255 -5.2269 -5.2269 -5.1974 -5.1974 -2.5183 -2.5183 -1.0949 -1.0949 0.1574 0.1574 0.3947 0.3947 0.8306 0.8306 1.0860 1.0860 1.1774 1.1774 1.4450 1.4450 2.5830 2.5830 2.7225 2.7225 3.5445 3.5445 3.7526 3.7526 3.8941 3.8941 4.1392 4.1392 4.4091 4.4091 4.7191 4.7191 4.8369 4.8369 4.9900 4.9900 5.2045 5.2045 7.4463 7.4463 7.5969 7.5969 8.2972 8.2972 8.7504 8.7504 8.9114 8.9114 k = 0.0645 0.1117 0.4885 ( 9410 PWs) bands (ev): -7.5835 -7.5835 -6.8549 -6.8549 -5.3696 -5.3696 -5.3146 -5.3146 -5.2150 -5.2150 -5.1930 -5.1930 -2.5511 -2.5511 -1.1096 -1.1096 0.2021 0.2021 0.3901 0.3901 0.8381 0.8381 1.0393 1.0393 1.1500 1.1500 1.3622 1.3622 2.5267 2.5267 2.7124 2.7124 3.6428 3.6428 3.8042 3.8042 3.9185 3.9185 4.1608 4.1608 4.4305 4.4305 4.7417 4.7417 4.8331 4.8331 5.0255 5.0255 5.2324 5.2324 7.4776 7.4776 7.5757 7.5757 8.3181 8.3181 8.7307 8.7307 8.8905 8.8905 k = 0.0538 0.0931 0.4885 ( 9410 PWs) bands (ev): -7.5919 -7.5919 -6.8625 -6.8625 -5.3453 -5.3453 -5.3054 -5.3054 -5.2048 -5.2048 -5.1893 -5.1893 -2.5797 -2.5797 -1.1221 -1.1221 0.2484 0.2484 0.3861 0.3861 0.8435 0.8435 0.9916 0.9916 1.1319 1.1319 1.2885 1.2885 2.4761 2.4761 2.7036 2.7036 3.7368 3.7368 3.8464 3.8464 3.9406 3.9406 4.1792 4.1792 4.4328 4.4328 4.7588 4.7588 4.8428 4.8428 5.0544 5.0544 5.2651 5.2651 7.4989 7.4989 7.5537 7.5537 8.3358 8.3358 8.7168 8.7168 8.8680 8.8680 k = 0.0430 0.0745 0.4885 ( 9410 PWs) bands (ev): -7.5989 -7.5989 -6.8687 -6.8687 -5.3245 -5.3245 -5.2979 -5.2979 -5.1963 -5.1963 -5.1864 -5.1864 -2.6038 -2.6038 -1.1324 -1.1324 0.2951 0.2951 0.3828 0.3828 0.8470 0.8470 0.9440 0.9440 1.1209 1.1209 1.2258 1.2258 2.4325 2.4325 2.6963 2.6963 3.8222 3.8222 3.8833 3.8833 3.9605 3.9605 4.1940 4.1940 4.4140 4.4140 4.7732 4.7732 4.8645 4.8645 5.0744 5.0744 5.3002 5.3002 7.4968 7.4968 7.5477 7.5477 8.3471 8.3471 8.7110 8.7110 8.8413 8.8413 k = 0.0323 0.0559 0.4885 ( 9396 PWs) bands (ev): -7.6044 -7.6044 -6.8736 -6.8736 -5.3076 -5.3076 -5.2921 -5.2921 -5.1898 -5.1898 -5.1841 -5.1841 -2.6230 -2.6230 -1.1404 -1.1404 0.3399 0.3399 0.3802 0.3802 0.8488 0.8488 0.8984 0.8984 1.1149 1.1149 1.1762 1.1762 2.3972 2.3972 2.6906 2.6906 3.8793 3.8793 3.9326 3.9326 3.9802 3.9802 4.2046 4.2046 4.3780 4.3780 4.7860 4.7860 4.8915 4.8915 5.0866 5.0866 5.3335 5.3335 7.4757 7.4757 7.5568 7.5568 8.3503 8.3503 8.7160 8.7160 8.8143 8.8143 k = 0.0215 0.0372 0.4885 ( 9402 PWs) bands (ev): -7.6083 -7.6083 -6.8771 -6.8771 -5.2951 -5.2951 -5.2879 -5.2879 -5.1852 -5.1852 -5.1826 -5.1826 -2.6370 -2.6370 -1.1461 -1.1461 0.3775 0.3775 0.3802 0.3802 0.8494 0.8494 0.8581 0.8581 1.1117 1.1117 1.1409 1.1409 2.3712 2.3712 2.6864 2.6864 3.9025 3.9025 3.9757 3.9757 4.0234 4.0234 4.2097 4.2097 4.3318 4.3318 4.7961 4.7961 4.9169 4.9169 5.0928 5.0928 5.3607 5.3607 7.4548 7.4548 7.5655 7.5655 8.3474 8.3474 8.7307 8.7307 8.7976 8.7976 k = 0.0108 0.0186 0.4885 ( 9402 PWs) bands (ev): -7.6107 -7.6107 -6.8792 -6.8792 -5.2876 -5.2876 -5.2851 -5.2851 -5.1825 -5.1825 -5.1816 -5.1816 -2.6454 -2.6454 -1.1495 -1.1495 0.3770 0.3770 0.4080 0.4080 0.8286 0.8286 0.8498 0.8498 1.1090 1.1090 1.1213 1.1213 2.3552 2.3552 2.6839 2.6839 3.9132 3.9132 3.9874 3.9874 4.0914 4.0914 4.2030 4.2030 4.2875 4.2875 4.8025 4.8025 4.9349 4.9349 5.0953 5.0953 5.3785 5.3785 7.4406 7.4406 7.5708 7.5708 8.3429 8.3429 8.7454 8.7454 8.7968 8.7968 k = 0.0000 0.0000 0.4885 ( 9412 PWs) bands (ev): -7.6115 -7.6115 -6.8799 -6.8799 -5.2855 -5.2855 -5.2838 -5.2838 -5.1818 -5.1818 -5.1811 -5.1811 -2.6483 -2.6483 -1.1506 -1.1506 0.3767 0.3767 0.4186 0.4186 0.8176 0.8176 0.8498 0.8498 1.1064 1.1064 1.1166 1.1166 2.3498 2.3498 2.6830 2.6830 3.9165 3.9165 3.9905 3.9905 4.1371 4.1371 4.1823 4.1823 4.2691 4.2691 4.8047 4.8047 4.9414 4.9414 5.0959 5.0959 5.3846 5.3846 7.4357 7.4357 7.5725 7.5725 8.3409 8.3409 8.7498 8.7498 8.8032 8.8032 k = 0.5000 0.2887 0.4885 ( 9380 PWs) bands (ev): -7.3100 -7.3100 -6.6142 -6.6142 -5.9816 -5.9816 -5.5665 -5.5665 -5.4596 -5.4596 -5.3072 -5.3072 -1.8849 -1.8849 -0.7388 -0.7388 0.0121 0.0121 0.4683 0.4683 1.0292 1.0292 1.6497 1.6497 2.0459 2.0459 2.0682 2.0682 2.6134 2.6134 2.6141 2.6141 2.9795 2.9795 3.4257 3.4257 3.7565 3.7565 3.7843 3.7843 3.8998 3.8998 4.0691 4.0691 4.3307 4.3307 4.7749 4.7749 4.9886 4.9886 6.6006 6.6006 7.6654 7.6654 8.1432 8.1432 8.3504 8.3504 8.6642 8.6642 k = 0.5000 0.2887 0.4673 ( 9390 PWs) bands (ev): -7.3108 -7.3108 -6.6130 -6.6130 -5.9827 -5.9827 -5.5652 -5.5652 -5.4603 -5.4603 -5.3064 -5.3064 -1.8851 -1.8851 -0.7382 -0.7382 0.0112 0.0112 0.4678 0.4678 1.0295 1.0295 1.6460 1.6460 2.0278 2.0278 2.0846 2.0846 2.6127 2.6127 2.6197 2.6197 2.9806 2.9806 3.4235 3.4235 3.7460 3.7460 3.7851 3.7851 3.9032 3.9032 4.0669 4.0669 4.3375 4.3375 4.7782 4.7782 4.9926 4.9926 6.5988 6.5988 7.6643 7.6643 8.1435 8.1435 8.3528 8.3528 8.6666 8.6666 k = 0.5000 0.2887 0.4460 ( 9398 PWs) bands (ev): -7.3133 -7.3133 -6.6095 -6.6095 -5.9859 -5.9859 -5.5614 -5.5614 -5.4624 -5.4624 -5.3041 -5.3041 -1.8857 -1.8857 -0.7363 -0.7363 0.0086 0.0086 0.4665 0.4665 1.0304 1.0304 1.6350 1.6350 2.0002 2.0002 2.1070 2.1070 2.6141 2.6141 2.6324 2.6324 2.9840 2.9840 3.4167 3.4167 3.7239 3.7239 3.7807 3.7807 3.9120 3.9120 4.0612 4.0612 4.3564 4.3564 4.7879 4.7879 5.0046 5.0046 6.5932 6.5932 7.6612 7.6612 8.1442 8.1442 8.3603 8.3603 8.6735 8.6735 k = 0.5000 0.2887 0.4248 ( 9406 PWs) bands (ev): -7.3172 -7.3172 -6.6038 -6.6038 -5.9912 -5.9912 -5.5551 -5.5551 -5.4659 -5.4659 -5.3005 -5.3005 -1.8867 -1.8867 -0.7332 -0.7332 0.0043 0.0043 0.4643 0.4643 1.0320 1.0320 1.6176 1.6176 1.9706 1.9706 2.1287 2.1287 2.6169 2.6169 2.6511 2.6511 2.9895 2.9895 3.4040 3.4040 3.6978 3.6978 3.7704 3.7704 3.9226 3.9226 4.0541 4.0541 4.3845 4.3845 4.8032 4.8032 5.0242 5.0242 6.5844 6.5844 7.6560 7.6560 8.1441 8.1441 8.3738 8.3738 8.6836 8.6836 k = 0.5000 0.2887 0.4036 ( 9406 PWs) bands (ev): -7.3226 -7.3226 -6.5961 -6.5961 -5.9981 -5.9981 -5.5468 -5.5468 -5.4703 -5.4703 -5.2957 -5.2957 -1.8882 -1.8882 -0.7290 -0.7290 -0.0017 -0.0017 0.4613 0.4613 1.0342 1.0342 1.5950 1.5950 1.9401 1.9401 2.1493 2.1493 2.6205 2.6205 2.6741 2.6741 2.9972 2.9972 3.3846 3.3846 3.6696 3.6696 3.7592 3.7592 3.9313 3.9313 4.0483 4.0483 4.4183 4.4183 4.8234 4.8234 5.0508 5.0508 6.5727 6.5727 7.6491 7.6491 8.1422 8.1422 8.3937 8.3937 8.6953 8.6953 k = 0.5000 0.2887 0.3823 ( 9406 PWs) bands (ev): -7.3291 -7.3291 -6.5866 -6.5866 -6.0065 -6.0065 -5.5368 -5.5368 -5.4755 -5.4755 -5.2900 -5.2900 -1.8900 -1.8900 -0.7237 -0.7237 -0.0092 -0.0092 0.4575 0.4575 1.0371 1.0371 1.5685 1.5685 1.9092 1.9092 2.1686 2.1686 2.6247 2.6247 2.6989 2.6989 3.0069 3.0069 3.3586 3.3586 3.6389 3.6389 3.7523 3.7523 3.9346 3.9346 4.0475 4.0475 4.4550 4.4550 4.8477 4.8477 5.0834 5.0834 6.5589 6.5589 7.6407 7.6407 8.1383 8.1383 8.4192 8.4192 8.7064 8.7064 k = 0.5000 0.2887 0.3611 ( 9414 PWs) bands (ev): -7.3367 -7.3367 -6.5755 -6.5755 -6.0160 -6.0160 -5.5254 -5.5254 -5.4813 -5.4813 -5.2836 -5.2836 -1.8921 -1.8921 -0.7175 -0.7175 -0.0181 -0.0181 0.4530 0.4530 1.0406 1.0406 1.5394 1.5394 1.8786 1.8786 2.1866 2.1866 2.6289 2.6289 2.7234 2.7234 3.0183 3.0183 3.3275 3.3275 3.6057 3.6057 3.7507 3.7507 3.9310 3.9310 4.0553 4.0553 4.4924 4.4924 4.8751 4.8751 5.1207 5.1207 6.5435 6.5435 7.6310 7.6310 8.1328 8.1328 8.4484 8.4484 8.7147 8.7147 k = 0.5000 0.2887 0.3398 ( 9416 PWs) bands (ev): -7.3450 -7.3450 -6.5631 -6.5631 -6.0262 -6.0262 -5.5131 -5.5131 -5.4874 -5.4874 -5.2767 -5.2767 -1.8946 -1.8946 -0.7105 -0.7105 -0.0282 -0.0282 0.4478 0.4478 1.0448 1.0448 1.5088 1.5088 1.8486 1.8486 2.2032 2.2032 2.6327 2.6327 2.7460 2.7460 3.0307 3.0307 3.2937 3.2937 3.5717 3.5717 3.7516 3.7516 3.9222 3.9222 4.0731 4.0731 4.5289 4.5289 4.9048 4.9048 5.1610 5.1610 6.5274 6.5274 7.6204 7.6204 8.1268 8.1268 8.4787 8.4787 8.7189 8.7189 k = 0.5000 0.2887 0.3186 ( 9418 PWs) bands (ev): -7.3539 -7.3539 -6.5498 -6.5498 -6.0369 -6.0369 -5.5012 -5.5012 -5.4926 -5.4926 -5.2695 -5.2695 -1.8973 -1.8973 -0.7028 -0.7028 -0.0394 -0.0394 0.4422 0.4422 1.0496 1.0496 1.4779 1.4779 1.8196 1.8196 2.2182 2.2182 2.6359 2.6359 2.7651 2.7651 3.0433 3.0433 3.2600 3.2600 3.5387 3.5387 3.7502 3.7502 3.9130 3.9130 4.1006 4.1006 4.5635 4.5635 4.9361 4.9361 5.2025 5.2025 6.5113 6.5113 7.6093 7.6093 8.1210 8.1210 8.5073 8.5073 8.7185 8.7185 k = 0.5000 0.2887 0.2974 ( 9412 PWs) bands (ev): -7.3632 -7.3632 -6.5357 -6.5357 -6.0479 -6.0479 -5.5015 -5.5015 -5.4852 -5.4852 -5.2621 -5.2621 -1.9003 -1.9003 -0.6945 -0.6945 -0.0515 -0.0515 0.4361 0.4361 1.0550 1.0550 1.4473 1.4473 1.7918 1.7918 2.2315 2.2315 2.6382 2.6382 2.7796 2.7796 3.0547 3.0547 3.2288 3.2288 3.5087 3.5087 3.7416 3.7416 3.9086 3.9086 4.1368 4.1368 4.5954 4.5954 4.9680 4.9680 5.2438 5.2438 6.4959 6.4959 7.5979 7.5979 8.1163 8.1163 8.5322 8.5322 8.7140 8.7140 k = 0.5000 0.2887 0.2761 ( 9422 PWs) bands (ev): -7.3726 -7.3726 -6.5213 -6.5213 -6.0588 -6.0588 -5.5075 -5.5075 -5.4721 -5.4721 -5.2547 -5.2547 -1.9035 -1.9035 -0.6860 -0.6860 -0.0642 -0.0642 0.4297 0.4297 1.0610 1.0610 1.4178 1.4178 1.7655 1.7655 2.2429 2.2429 2.6393 2.6393 2.7886 2.7886 3.0632 3.0632 3.2028 3.2028 3.4829 3.4829 3.7237 3.7237 3.9111 3.9111 4.1811 4.1811 4.6244 4.6244 4.9993 4.9993 5.2832 5.2832 6.4819 6.4819 7.5865 7.5865 8.1133 8.1133 8.5515 8.5515 8.7063 8.7063 k = 0.5000 0.2887 0.2549 ( 9422 PWs) bands (ev): -7.3820 -7.3820 -6.5067 -6.5067 -6.0695 -6.0695 -5.5137 -5.5137 -5.4588 -5.4588 -5.2473 -5.2473 -1.9068 -1.9068 -0.6772 -0.6772 -0.0773 -0.0773 0.4231 0.4231 1.0675 1.0675 1.3898 1.3898 1.7407 1.7407 2.2524 2.2524 2.6393 2.6393 2.7916 2.7916 3.0673 3.0673 3.1841 3.1841 3.4624 3.4624 3.6983 3.6983 3.9198 3.9198 4.2322 4.2322 4.6503 4.6503 5.0293 5.0293 5.3195 5.3195 6.4699 6.4699 7.5752 7.5752 8.1125 8.1125 8.5640 8.5640 8.6972 8.6972 k = 0.5000 0.2887 0.2336 ( 9408 PWs) bands (ev): -7.3912 -7.3912 -6.4922 -6.4922 -6.0798 -6.0798 -5.5196 -5.5196 -5.4459 -5.4459 -5.2401 -5.2401 -1.9102 -1.9102 -0.6684 -0.6684 -0.0905 -0.0905 0.4164 0.4164 1.0744 1.0744 1.3638 1.3638 1.7176 1.7176 2.2598 2.2598 2.6384 2.6384 2.7883 2.7883 3.0665 3.0665 3.1733 3.1733 3.4477 3.4477 3.6682 3.6682 3.9327 3.9327 4.2886 4.2886 4.6731 4.6731 5.0569 5.0569 5.3515 5.3515 6.4604 6.4604 7.5643 7.5643 8.1140 8.1140 8.5683 8.5683 8.6892 8.6892 k = 0.5000 0.2887 0.2124 ( 9402 PWs) bands (ev): -7.4000 -7.4000 -6.4782 -6.4782 -6.0896 -6.0896 -5.5252 -5.5252 -5.4336 -5.4336 -5.2332 -5.2332 -1.9136 -1.9136 -0.6598 -0.6598 -0.1037 -0.1037 0.4098 0.4098 1.0816 1.0816 1.3398 1.3398 1.6964 1.6964 2.2652 2.2652 2.6366 2.6366 2.7792 2.7792 3.0627 3.0627 3.1684 3.1684 3.4389 3.4389 3.6362 3.6362 3.9482 3.9482 4.3487 4.3487 4.6929 4.6929 5.0816 5.0816 5.3785 5.3785 6.4536 6.4536 7.5539 7.5539 8.1179 8.1179 8.5635 8.5635 8.6849 8.6849 k = 0.5000 0.2887 0.1912 ( 9412 PWs) bands (ev): -7.4084 -7.4084 -6.4648 -6.4648 -6.0988 -6.0988 -5.5304 -5.5304 -5.4221 -5.4221 -5.2265 -5.2265 -1.9170 -1.9170 -0.6515 -0.6515 -0.1164 -0.1164 0.4033 0.4033 1.0890 1.0890 1.3182 1.3182 1.6770 1.6770 2.2687 2.2687 2.6343 2.6343 2.7653 2.7653 3.0580 3.0580 3.1664 3.1664 3.4353 3.4353 3.6042 3.6042 3.9653 3.9653 4.4109 4.4109 4.7098 4.7098 5.1027 5.1027 5.3999 5.3999 6.4496 6.4496 7.5440 7.5440 8.1243 8.1243 8.5500 8.5500 8.6861 8.6861 k = 0.5000 0.2887 0.1699 ( 9428 PWs) bands (ev): -7.4162 -7.4162 -6.4522 -6.4522 -6.1072 -6.1072 -5.5352 -5.5352 -5.4115 -5.4115 -5.2203 -5.2203 -1.9203 -1.9203 -0.6436 -0.6436 -0.1286 -0.1286 0.3971 0.3971 1.0965 1.0965 1.2988 1.2988 1.6596 1.6596 2.2704 2.2704 2.6318 2.6318 2.7483 2.7483 3.0539 3.0539 3.1654 3.1654 3.4360 3.4360 3.5737 3.5737 3.9835 3.9835 4.4731 4.4731 4.7241 4.7241 5.1200 5.1200 5.4158 5.4158 6.4483 6.4483 7.5348 7.5348 8.1329 8.1329 8.5296 8.5296 8.6928 8.6928 k = 0.5000 0.2887 0.1487 ( 9436 PWs) bands (ev): -7.4232 -7.4232 -6.4406 -6.4406 -6.1148 -6.1148 -5.5395 -5.5395 -5.4019 -5.4019 -5.2146 -5.2146 -1.9234 -1.9234 -0.6363 -0.6363 -0.1398 -0.1398 0.3913 0.3913 1.1038 1.1038 1.2817 1.2817 1.6442 1.6442 2.2707 2.2707 2.6291 2.6291 2.7298 2.7298 3.0504 3.0504 3.1646 3.1646 3.4396 3.4396 3.5458 3.5458 4.0020 4.0020 4.5337 4.5337 4.7364 4.7364 5.1333 5.1333 5.4263 5.4263 6.4493 6.4493 7.5262 7.5262 8.1437 8.1437 8.5045 8.5045 8.7048 8.7048 k = 0.5000 0.2887 0.1274 ( 9424 PWs) bands (ev): -7.4295 -7.4295 -6.4302 -6.4302 -6.1215 -6.1215 -5.5433 -5.5433 -5.3935 -5.3935 -5.2094 -5.2094 -1.9263 -1.9263 -0.6297 -0.6297 -0.1501 -0.1501 0.3861 0.3861 1.1109 1.1109 1.2669 1.2669 1.6309 1.6309 2.2698 2.2698 2.6265 2.6265 2.7115 2.7115 3.0475 3.0475 3.1636 3.1636 3.4448 3.4448 3.5214 3.5214 4.0203 4.0203 4.5902 4.5902 4.7477 4.7477 5.1425 5.1425 5.4323 5.4323 6.4521 6.4521 7.5183 7.5183 8.1564 8.1564 8.4765 8.4765 8.7220 8.7220 k = 0.5000 0.2887 0.1062 ( 9420 PWs) bands (ev): -7.4350 -7.4350 -6.4212 -6.4212 -6.1272 -6.1272 -5.5466 -5.5466 -5.3862 -5.3862 -5.2049 -5.2049 -1.9288 -1.9288 -0.6239 -0.6239 -0.1590 -0.1590 0.3814 0.3814 1.1175 1.1175 1.2543 1.2543 1.6196 1.6196 2.2682 2.2682 2.6239 2.6239 2.6946 2.6946 3.0448 3.0448 3.1625 3.1625 3.4502 3.4502 3.5013 3.5013 4.0377 4.0377 4.6392 4.6392 4.7603 4.7603 5.1478 5.1478 5.4345 5.4345 6.4560 6.4560 7.5114 7.5114 8.1708 8.1708 8.4471 8.4471 8.7438 8.7438 k = 0.5000 0.2887 0.0850 ( 9398 PWs) bands (ev): -7.4395 -7.4395 -6.4137 -6.4137 -6.1320 -6.1320 -5.5493 -5.5493 -5.3803 -5.3803 -5.2011 -5.2011 -1.9310 -1.9310 -0.6191 -0.6191 -0.1666 -0.1666 0.3775 0.3775 1.1234 1.1234 1.2439 1.2439 1.6105 1.6105 2.2663 2.2663 2.6213 2.6213 2.6801 2.6801 3.0423 3.0423 3.1615 3.1615 3.4538 3.4538 3.4868 3.4868 4.0534 4.0534 4.6763 4.6763 4.7774 4.7774 5.1494 5.1494 5.4341 5.4341 6.4604 6.4604 7.5054 7.5054 8.1867 8.1867 8.4175 8.4175 8.7694 8.7694 k = 0.5000 0.2887 0.0637 ( 9380 PWs) bands (ev): -7.4431 -7.4431 -6.4077 -6.4077 -6.1357 -6.1357 -5.5514 -5.5514 -5.3756 -5.3756 -5.1981 -5.1981 -1.9328 -1.9328 -0.6152 -0.6152 -0.1726 -0.1726 0.3744 0.3744 1.1284 1.1284 1.2356 1.2356 1.6034 1.6034 2.2643 2.2643 2.6188 2.6188 2.6688 2.6688 3.0401 3.0401 3.1606 3.1606 3.4531 3.4531 3.4797 3.4797 4.0666 4.0666 4.6988 4.6988 4.8004 4.8004 5.1481 5.1481 5.4322 5.4322 6.4645 6.4645 7.5006 7.5006 8.2036 8.2036 8.3889 8.3889 8.7969 8.7969 k = 0.5000 0.2887 0.0425 ( 9378 PWs) bands (ev): -7.4456 -7.4456 -6.4033 -6.4033 -6.1383 -6.1383 -5.5529 -5.5529 -5.3722 -5.3722 -5.1959 -5.1959 -1.9340 -1.9340 -0.6124 -0.6124 -0.1770 -0.1770 0.3721 0.3721 1.1322 1.1322 1.2296 1.2296 1.5984 1.5984 2.2627 2.2627 2.6165 2.6165 2.6609 2.6609 3.0382 3.0382 3.1599 3.1599 3.4488 3.4488 3.4789 3.4789 4.0767 4.0767 4.7098 4.7098 4.8243 4.8243 5.1451 5.1451 5.4300 5.4300 6.4678 6.4678 7.4971 7.4971 8.2206 8.2206 8.3631 8.3631 8.8229 8.8229 k = 0.5000 0.2887 0.0212 ( 9368 PWs) bands (ev): -7.4472 -7.4472 -6.4007 -6.4007 -6.1399 -6.1399 -5.5538 -5.5538 -5.3702 -5.3702 -5.1945 -5.1945 -1.9348 -1.9348 -0.6107 -0.6107 -0.1796 -0.1796 0.3707 0.3707 1.1347 1.1347 1.2259 1.2259 1.5954 1.5954 2.2616 2.2616 2.6148 2.6148 2.6564 2.6564 3.0370 3.0370 3.1594 3.1594 3.4450 3.4450 3.4799 3.4799 4.0830 4.0830 4.7145 4.7145 4.8419 4.8419 5.1421 5.1421 5.4284 5.4284 6.4700 6.4700 7.4949 7.4949 8.2351 8.2351 8.3431 8.3431 8.8425 8.8425 k = 0.5000 0.2887-0.0000 ( 9386 PWs) bands (ev): -7.4477 -7.4477 -6.3999 -6.3999 -6.1405 -6.1405 -5.5541 -5.5541 -5.3695 -5.3695 -5.1941 -5.1941 -1.9351 -1.9351 -0.6102 -0.6102 -0.1805 -0.1805 0.3702 0.3702 1.1355 1.1355 1.2247 1.2247 1.5944 1.5944 2.2613 2.2613 2.6142 2.6142 2.6549 2.6549 3.0366 3.0366 3.1593 3.1593 3.4436 3.4436 3.4804 3.4804 4.0852 4.0852 4.7158 4.7158 4.8483 4.8483 5.1408 5.1408 5.4277 5.4277 6.4708 6.4708 7.4942 7.4942 8.2413 8.2413 8.3349 8.3349 8.8499 8.8499 k = 0.3333 0.5774-0.0000 ( 9408 PWs) bands (ev): -7.3983 -7.3983 -6.3632 -6.3632 -5.9779 -5.9779 -5.9743 -5.9743 -5.2491 -5.2491 -5.2487 -5.2487 -1.7207 -1.7207 -0.4262 -0.4262 0.0623 0.0623 0.1160 0.1160 0.8021 0.8021 1.2615 1.2615 1.4048 1.4048 2.0816 2.0816 2.0918 2.0918 2.8454 2.8454 2.9944 2.9944 3.7139 3.7139 3.8336 3.8336 4.0980 4.0980 4.1451 4.1451 4.5711 4.5711 4.7926 4.7926 5.2287 5.2287 5.4846 5.4846 6.6319 6.6319 6.6944 6.6944 7.5274 7.5274 7.8349 7.8349 8.8397 8.8398 k = 0.3333 0.5774 0.0212 ( 9402 PWs) bands (ev): -7.3974 -7.3974 -6.3649 -6.3649 -5.9770 -5.9770 -5.9734 -5.9734 -5.2505 -5.2505 -5.2501 -5.2501 -1.7103 -1.7103 -0.4365 -0.4365 0.0726 0.0726 0.1263 0.1263 0.7952 0.7952 1.2394 1.2394 1.3786 1.3786 2.0951 2.0951 2.1109 2.1109 2.8405 2.8405 2.9932 2.9932 3.7002 3.7002 3.8136 3.8136 4.0950 4.0950 4.1372 4.1372 4.5843 4.5843 4.8191 4.8191 5.2887 5.2887 5.4913 5.4913 6.6492 6.6492 6.7090 6.7090 7.5186 7.5186 7.8253 7.8253 8.8388 8.8388 k = 0.3333 0.5774 0.0425 ( 9384 PWs) bands (ev): -7.3956 -7.3956 -6.3684 -6.3684 -5.9752 -5.9752 -5.9715 -5.9715 -5.2532 -5.2532 -5.2528 -5.2528 -1.6988 -1.6988 -0.4471 -0.4471 0.0827 0.0827 0.1363 0.1363 0.7921 0.7921 1.2171 1.2171 1.3529 1.3529 2.1120 2.1120 2.1330 2.1330 2.8370 2.8370 2.9935 2.9935 3.6842 3.6842 3.7927 3.7927 4.0886 4.0886 4.1314 4.1314 4.5973 4.5973 4.8449 4.8449 5.3380 5.3380 5.4974 5.4974 6.6613 6.6613 6.7185 6.7185 7.5074 7.5074 7.8274 7.8274 8.8357 8.8358 k = 0.3333 0.5774 0.0637 ( 9393 PWs) bands (ev): -7.3928 -7.3928 -6.3735 -6.3735 -5.9724 -5.9724 -5.9687 -5.9687 -5.2573 -5.2573 -5.2568 -5.2568 -1.6864 -1.6864 -0.4577 -0.4577 0.0924 0.0924 0.1457 0.1457 0.7927 0.7927 1.1950 1.1950 1.3281 1.3281 2.1320 2.1320 2.1582 2.1582 2.8349 2.8349 2.9952 2.9952 3.6663 3.6663 3.7710 3.7710 4.0771 4.0771 4.1294 4.1294 4.6096 4.6096 4.8692 4.8692 5.3753 5.3753 5.5035 5.5035 6.6684 6.6684 6.7235 6.7235 7.4930 7.4930 7.8424 7.8424 8.8297 8.8298 k = 0.3333 0.5774 0.0850 ( 9408 PWs) bands (ev): -7.3890 -7.3890 -6.3802 -6.3802 -5.9686 -5.9686 -5.9650 -5.9650 -5.2626 -5.2626 -5.2622 -5.2622 -1.6733 -1.6733 -0.4683 -0.4683 0.1016 0.1016 0.1545 0.1545 0.7973 0.7973 1.1735 1.1735 1.3046 1.3046 2.1552 2.1552 2.1862 2.1862 2.8339 2.8339 2.9985 2.9985 3.6465 3.6465 3.7489 3.7489 4.0604 4.0604 4.1307 4.1307 4.6204 4.6204 4.8913 4.8913 5.3998 5.3998 5.5095 5.5095 6.6709 6.6709 6.7242 6.7242 7.4760 7.4760 7.8705 7.8705 8.8208 8.8209 k = 0.3333 0.5774 0.1062 ( 9426 PWs) bands (ev): -7.3842 -7.3842 -6.3884 -6.3884 -5.9639 -5.9639 -5.9603 -5.9603 -5.2692 -5.2692 -5.2687 -5.2687 -1.6597 -1.6597 -0.4785 -0.4785 0.1100 0.1100 0.1623 0.1623 0.8056 0.8056 1.1528 1.1528 1.2828 1.2828 2.1813 2.1813 2.2173 2.2173 2.8341 2.8341 3.0033 3.0033 3.6251 3.6251 3.7263 3.7263 4.0394 4.0394 4.1346 4.1346 4.6290 4.6290 4.9104 4.9104 5.4127 5.4127 5.5143 5.5143 6.6693 6.6693 6.7212 6.7212 7.4572 7.4572 7.9107 7.9107 8.8089 8.8092 k = 0.3333 0.5774 0.1274 ( 9414 PWs) bands (ev): -7.3787 -7.3787 -6.3980 -6.3980 -5.9583 -5.9583 -5.9547 -5.9547 -5.2769 -5.2769 -5.2763 -5.2763 -1.6460 -1.6460 -0.4883 -0.4883 0.1175 0.1175 0.1691 0.1691 0.8179 0.8179 1.1332 1.1332 1.2627 1.2627 2.2105 2.2105 2.2514 2.2514 2.8354 2.8354 3.0094 3.0094 3.6023 3.6023 3.7037 3.7037 4.0146 4.0146 4.1402 4.1402 4.6347 4.6347 4.9256 4.9256 5.4162 5.4162 5.5160 5.5160 6.6642 6.6642 6.7153 6.7153 7.4377 7.4377 7.9613 7.9613 8.7933 8.7933 k = 0.3333 0.5774 0.1487 ( 9402 PWs) bands (ev): -7.3722 -7.3722 -6.4088 -6.4088 -5.9519 -5.9519 -5.9484 -5.9484 -5.2857 -5.2857 -5.2851 -5.2851 -1.6325 -1.6325 -0.4976 -0.4976 0.1239 0.1239 0.1748 0.1748 0.8339 0.8339 1.1148 1.1148 1.2446 1.2446 2.2425 2.2425 2.2885 2.2885 2.8376 2.8376 3.0167 3.0167 3.5780 3.5780 3.6811 3.6811 3.9862 3.9862 4.1473 4.1473 4.6368 4.6368 4.9362 4.9362 5.4125 5.4125 5.5128 5.5128 6.6562 6.6562 6.7070 6.7070 7.4181 7.4181 8.0207 8.0207 8.7721 8.7721 k = 0.3333 0.5774 0.1699 ( 9384 PWs) bands (ev): -7.3651 -7.3651 -6.4207 -6.4207 -5.9447 -5.9447 -5.9412 -5.9412 -5.2955 -5.2955 -5.2947 -5.2947 -1.6193 -1.6193 -0.5060 -0.5060 0.1293 0.1293 0.1792 0.1792 0.8536 0.8536 1.0977 1.0977 1.2287 1.2287 2.2775 2.2775 2.3286 2.3286 2.8407 2.8407 3.0251 3.0251 3.5523 3.5523 3.6588 3.6588 3.9546 3.9546 4.1557 4.1557 4.6346 4.6346 4.9412 4.9412 5.4033 5.4033 5.5043 5.5043 6.6459 6.6459 6.6971 6.6971 7.3991 7.3991 8.0868 8.0868 8.7460 8.7460 k = 0.3333 0.5774 0.1912 ( 9390 PWs) bands (ev): -7.3573 -7.3573 -6.4336 -6.4336 -5.9368 -5.9368 -5.9334 -5.9334 -5.3060 -5.3060 -5.3052 -5.3052 -1.6068 -1.6068 -0.5136 -0.5136 0.1334 0.1334 0.1823 0.1823 0.8768 0.8768 1.0821 1.0821 1.2153 1.2153 2.3152 2.3152 2.3717 2.3717 2.8446 2.8446 3.0344 3.0344 3.5251 3.5251 3.6374 3.6374 3.9200 3.9200 4.1651 4.1651 4.6278 4.6278 4.9400 4.9400 5.3892 5.3892 5.4905 5.4905 6.6339 6.6339 6.6859 6.6859 7.3810 7.3810 8.1580 8.1580 8.7216 8.7216 k = 0.3333 0.5774 0.2124 ( 9390 PWs) bands (ev): -7.3490 -7.3490 -6.4471 -6.4471 -5.9284 -5.9284 -5.9250 -5.9250 -5.3173 -5.3173 -5.3164 -5.3164 -1.5953 -1.5953 -0.5202 -0.5202 0.1362 0.1362 0.1840 0.1840 0.9030 0.9030 1.0681 1.0681 1.2048 1.2048 2.3555 2.3555 2.4175 2.4175 2.8492 2.8492 3.0440 3.0440 3.4965 3.4965 3.6173 3.6173 3.8832 3.8832 4.1756 4.1756 4.6159 4.6159 4.9320 4.9320 5.3706 5.3706 5.4725 5.4725 6.6207 6.6207 6.6740 6.6740 7.3641 7.3641 8.2321 8.2321 8.7048 8.7048 k = 0.3333 0.5774 0.2336 ( 9384 PWs) bands (ev): -7.3402 -7.3402 -6.4610 -6.4610 -5.9194 -5.9194 -5.9161 -5.9161 -5.3291 -5.3291 -5.3281 -5.3281 -1.5850 -1.5850 -0.5256 -0.5256 0.1377 0.1377 0.1844 0.1844 0.9318 0.9318 1.0558 1.0558 1.1976 1.1976 2.3981 2.3981 2.4657 2.4657 2.8544 2.8544 3.0537 3.0537 3.4662 3.4662 3.5991 3.5991 3.8449 3.8449 4.1869 4.1869 4.5986 4.5986 4.9169 4.9169 5.3475 5.3475 5.4511 5.4511 6.6066 6.6066 6.6616 6.6616 7.3489 7.3489 8.3073 8.3073 8.6975 8.6975 k = 0.3333 0.5774 0.2549 ( 9387 PWs) bands (ev): -7.3312 -7.3312 -6.4753 -6.4753 -5.9100 -5.9100 -5.9068 -5.9068 -5.3413 -5.3413 -5.3401 -5.3401 -1.5761 -1.5761 -0.5297 -0.5297 0.1378 0.1378 0.1833 0.1833 0.9622 0.9622 1.0455 1.0455 1.1945 1.1945 2.4427 2.4427 2.5155 2.5155 2.8602 2.8602 3.0625 3.0625 3.4340 3.4340 3.5838 3.5838 3.8064 3.8064 4.1989 4.1989 4.5759 4.5759 4.8945 4.8945 5.3201 5.3201 5.4275 5.4275 6.5917 6.5917 6.6486 6.6486 7.3355 7.3355 8.3814 8.3814 8.7004 8.7004 k = 0.3333 0.5774 0.2761 ( 9381 PWs) bands (ev): -7.3220 -7.3220 -6.4895 -6.4895 -5.9004 -5.9004 -5.8973 -5.8973 -5.3536 -5.3536 -5.3523 -5.3523 -1.5690 -1.5690 -0.5324 -0.5324 0.1366 0.1366 0.1809 0.1809 0.9929 0.9929 1.0371 1.0371 1.1967 1.1967 2.4886 2.4886 2.5661 2.5661 2.8668 2.8668 3.0697 3.0697 3.3998 3.3998 3.5725 3.5725 3.7690 3.7690 4.2114 4.2114 4.5479 4.5479 4.8650 4.8650 5.2885 5.2885 5.4026 5.4026 6.5760 6.5760 6.6349 6.6349 7.3243 7.3243 8.4518 8.4518 8.7133 8.7133 k = 0.3333 0.5774 0.2974 ( 9393 PWs) bands (ev): -7.3128 -7.3128 -6.5035 -6.5035 -5.8908 -5.8908 -5.8877 -5.8877 -5.3659 -5.3659 -5.3645 -5.3645 -1.5636 -1.5636 -0.5337 -0.5337 0.1340 0.1340 0.1772 0.1772 1.0219 1.0219 1.0308 1.0308 1.2057 1.2057 2.5354 2.5354 2.6160 2.6160 2.8745 2.8745 3.0743 3.0743 3.3633 3.3633 3.5664 3.5664 3.7345 3.7345 4.2244 4.2244 4.5147 4.5147 4.8287 4.8287 5.2532 5.2532 5.3770 5.3770 6.5593 6.5593 6.6202 6.6202 7.3157 7.3157 8.5158 8.5158 8.7364 8.7364 k = 0.3333 0.5774 0.3186 ( 9417 PWs) bands (ev): -7.3039 -7.3039 -6.5169 -6.5169 -5.8812 -5.8812 -5.8782 -5.8782 -5.3779 -5.3779 -5.3764 -5.3764 -1.5601 -1.5601 -0.5335 -0.5335 0.1301 0.1301 0.1723 0.1723 1.0268 1.0268 1.0474 1.0474 1.2230 1.2230 2.5823 2.5823 2.6630 2.6630 2.8842 2.8842 3.0753 3.0753 3.3247 3.3247 3.5669 3.5669 3.7046 3.7046 4.2376 4.2376 4.4766 4.4766 4.7862 4.7862 5.2147 5.2147 5.3515 5.3515 6.5414 6.5414 6.6042 6.6042 7.3100 7.3100 8.5700 8.5700 8.7688 8.7688 k = 0.3333 0.5774 0.3398 ( 9423 PWs) bands (ev): -7.2954 -7.2954 -6.5296 -6.5296 -5.8720 -5.8720 -5.8690 -5.8690 -5.3893 -5.3893 -5.3877 -5.3877 -1.5586 -1.5586 -0.5318 -0.5318 0.1249 0.1249 0.1662 0.1662 1.0251 1.0251 1.0682 1.0682 1.2490 1.2490 2.6284 2.6284 2.7038 2.7038 2.8977 2.8977 3.0719 3.0719 3.2845 3.2845 3.5752 3.5752 3.6811 3.6811 4.2507 4.2507 4.4340 4.4340 4.7384 4.7384 5.1737 5.1737 5.3265 5.3265 6.5219 6.5219 6.5863 6.5863 7.3074 7.3074 8.6124 8.6124 8.8069 8.8070 k = 0.3333 0.5774 0.3611 ( 9435 PWs) bands (ev): -7.2875 -7.2875 -6.5411 -6.5411 -5.8633 -5.8633 -5.8604 -5.8604 -5.4000 -5.4000 -5.3983 -5.3983 -1.5591 -1.5591 -0.5286 -0.5286 0.1186 0.1186 0.1590 0.1590 1.0259 1.0259 1.0851 1.0851 1.2821 1.2821 2.6728 2.6728 2.7345 2.7345 2.9170 2.9170 3.0639 3.0639 3.2439 3.2439 3.5920 3.5920 3.6656 3.6656 4.2636 4.2636 4.3876 4.3876 4.6861 4.6861 5.1309 5.1309 5.3025 5.3025 6.5006 6.5006 6.5665 6.5665 7.3081 7.3081 8.6429 8.6429 8.8447 8.8447 k = 0.3333 0.5774 0.3823 ( 9429 PWs) bands (ev): -7.2805 -7.2805 -6.5512 -6.5512 -5.8555 -5.8555 -5.8526 -5.8526 -5.4095 -5.4095 -5.4077 -5.4077 -1.5615 -1.5615 -0.5239 -0.5239 0.1112 0.1112 0.1509 0.1509 1.0291 1.0291 1.0995 1.0995 1.3197 1.3197 2.7141 2.7141 2.7525 2.7525 2.9421 2.9421 3.0518 3.0518 3.2052 3.2052 3.6174 3.6174 3.6592 3.6592 4.2754 4.2754 4.3385 4.3385 4.6304 4.6304 5.0870 5.0870 5.2799 5.2799 6.4773 6.4773 6.5444 6.5444 7.3123 7.3123 8.6627 8.6627 8.8792 8.8793 k = 0.3333 0.5774 0.4036 ( 9435 PWs) bands (ev): -7.2745 -7.2745 -6.5598 -6.5598 -5.8487 -5.8487 -5.8459 -5.8459 -5.4176 -5.4176 -5.4157 -5.4157 -1.5658 -1.5658 -0.5179 -0.5179 0.1030 0.1030 0.1421 0.1421 1.0347 1.0347 1.1130 1.1130 1.3591 1.3591 2.7507 2.7507 2.7582 2.7582 2.9691 2.9691 3.0371 3.0371 3.1718 3.1718 3.6511 3.6511 3.6626 3.6626 4.2765 4.2765 4.2969 4.2969 4.5723 4.5723 5.0424 5.0424 5.2592 5.2592 6.4521 6.4521 6.5201 6.5201 7.3198 7.3198 8.6727 8.6727 8.9115 8.9116 k = 0.3333 0.5774 0.4248 ( 9435 PWs) bands (ev): -7.2698 -7.2698 -6.5664 -6.5664 -5.8433 -5.8433 -5.8406 -5.8406 -5.4241 -5.4241 -5.4221 -5.4221 -1.5718 -1.5718 -0.5107 -0.5107 0.0939 0.0939 0.1326 0.1326 1.0428 1.0428 1.1267 1.1267 1.3975 1.3975 2.7542 2.7542 2.7798 2.7798 2.9907 2.9907 3.0225 3.0225 3.1493 3.1493 3.6763 3.6763 3.6922 3.6922 4.2291 4.2291 4.3014 4.3014 4.5130 4.5130 4.9977 4.9977 5.2408 5.2408 6.4250 6.4250 6.4938 6.4938 7.3307 7.3307 8.6735 8.6735 8.9423 8.9425 k = 0.3333 0.5774 0.4460 ( 9435 PWs) bands (ev): -7.2664 -7.2664 -6.5710 -6.5710 -5.8395 -5.8395 -5.8368 -5.8368 -5.4286 -5.4286 -5.4265 -5.4265 -1.5793 -1.5793 -0.5023 -0.5023 0.0843 0.0843 0.1228 0.1228 1.0531 1.0531 1.1412 1.1412 1.4326 1.4326 2.7426 2.7426 2.7978 2.7978 3.0001 3.0001 3.0119 3.0119 3.1434 3.1434 3.7000 3.7000 3.7398 3.7398 4.1755 4.1755 4.3106 4.3106 4.4535 4.4535 4.9533 4.9533 5.2252 5.2252 6.3964 6.3964 6.4658 6.4658 7.3449 7.3449 8.6655 8.6655 8.9717 8.9718 k = 0.3333 0.5774 0.4673 ( 9456 PWs) bands (ev): -7.2646 -7.2646 -6.5734 -6.5734 -5.8374 -5.8374 -5.8348 -5.8348 -5.4309 -5.4309 -5.4288 -5.4288 -1.5883 -1.5883 -0.4930 -0.4930 0.0742 0.0742 0.1126 0.1126 1.0657 1.0657 1.1566 1.1566 1.4623 1.4623 2.7250 2.7250 2.8006 2.8006 2.9986 2.9986 3.0095 3.0095 3.1528 3.1528 3.7328 3.7328 3.7926 3.7926 4.1223 4.1223 4.3190 4.3190 4.3950 4.3950 4.9095 4.9095 5.2128 5.2128 6.3667 6.3667 6.4369 6.4369 7.3619 7.3619 8.6494 8.6494 8.9998 8.9998 k = 0.3333 0.5774 0.4885 ( 9456 PWs) bands (ev): -7.2643 -7.2643 -6.5736 -6.5736 -5.8372 -5.8372 -5.8346 -5.8346 -5.4310 -5.4310 -5.4289 -5.4289 -1.5984 -1.5984 -0.4830 -0.4830 0.0640 0.0640 0.1025 0.1025 1.0804 1.0804 1.1731 1.1731 1.4848 1.4848 2.7023 2.7023 2.7873 2.7873 2.9952 2.9952 3.0164 3.0164 3.1694 3.1694 3.7729 3.7729 3.8493 3.8493 4.0714 4.0714 4.3262 4.3262 4.3387 4.3387 4.8668 4.8668 5.2039 5.2039 6.3365 6.3365 6.4075 6.4075 7.3817 7.3817 8.6260 8.6260 9.0262 9.0262 Writing output data file AlSiTe3.save init_run : 0.72s CPU 0.81s WALL ( 1 calls) electrons : 398.51s CPU 401.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 398.50s CPU 401.78s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.14s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.19s WALL ( 226 calls) cegterg : 372.34s CPU 375.02s WALL ( 695 calls) Called by sum_band: Called by *egterg: h_psi : 226.10s CPU 227.55s WALL ( 12365 calls) s_psi : 24.18s CPU 24.30s WALL ( 12365 calls) g_psi : 0.67s CPU 0.63s WALL ( 11444 calls) cdiaghg : 92.77s CPU 93.70s WALL ( 11670 calls) cegterg:over : 16.15s CPU 16.27s WALL ( 11444 calls) cegterg:upda : 17.08s CPU 17.48s WALL ( 11444 calls) cegterg:last : 6.72s CPU 6.78s WALL ( 1373 calls) cdiaghg:chol : 5.25s CPU 5.46s WALL ( 11670 calls) cdiaghg:inve : 3.51s CPU 3.56s WALL ( 11670 calls) cdiaghg:para : 5.80s CPU 5.75s WALL ( 23340 calls) Called by h_psi: h_psi:vloc : 173.51s CPU 174.95s WALL ( 12365 calls) h_psi:vnl : 51.82s CPU 51.82s WALL ( 12365 calls) add_vuspsi : 28.54s CPU 28.29s WALL ( 12365 calls) General routines calbec : 23.24s CPU 23.50s WALL ( 12365 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 163.96s CPU 165.42s WALL ( 984656 calls) davcio : 0.19s CPU 0.30s WALL ( 452 calls) Parallel routines fft_scatter : 50.43s CPU 50.85s WALL ( 984671 calls) PWSCF : 7m 0.68s CPU 7m16.38s WALL This run was terminated on: 19:23:49 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=