Program PWSCF v.5.4.0 starts on 28Mar2017 at 17:14:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 30 8 2088 917 138 Max 53 31 9 2093 932 143 Sum 3793 2197 613 150443 66429 10033 bravais-lattice index = 14 lattice parameter (alat) = 13.0013 a.u. unit-cell volume = 1527.0143 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.001315 celldm(2)= 1.000000 celldm(3)= 0.802326 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.802326 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.246377 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.2674419 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2674419 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.2674419 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2674419 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 244 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 2) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0040984 k( 3) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0040984 k( 4) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0040984 k( 5) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0040984 k( 6) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0040984 k( 7) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0040984 k( 8) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0040984 k( 9) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0040984 k( 10) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0040984 k( 11) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0040984 k( 12) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0040984 k( 13) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0040984 k( 14) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0040984 k( 15) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0040984 k( 16) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0040984 k( 17) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0040984 k( 18) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0040984 k( 19) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0040984 k( 20) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0040984 k( 21) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0040984 k( 22) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0040984 k( 23) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0040984 k( 24) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0040984 k( 25) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0040984 k( 26) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0040984 k( 27) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0040984 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0040984 k( 29) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0040984 k( 30) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0040984 k( 31) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0040984 k( 32) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0040984 k( 33) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0040984 k( 34) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0040984 k( 35) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0040984 k( 36) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0040984 k( 37) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0040984 k( 38) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0040984 k( 39) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0040984 k( 40) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0040984 k( 41) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0040984 k( 42) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0040984 k( 43) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0040984 k( 44) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0040984 k( 45) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0040984 k( 46) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0040984 k( 47) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0040984 k( 48) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0040984 k( 49) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0040984 k( 50) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0040984 k( 51) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0040984 k( 52) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0040984 k( 53) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0040984 k( 54) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0040984 k( 55) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0040984 k( 56) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0040984 k( 57) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0040984 k( 58) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0040984 k( 59) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0040984 k( 60) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0040984 k( 61) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0040984 k( 62) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0040984 k( 63) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0040984 k( 64) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0040984 k( 65) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0040984 k( 66) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0040984 k( 67) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0040984 k( 68) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0040984 k( 69) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0040984 k( 70) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0040984 k( 71) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0040984 k( 72) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0040984 k( 73) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0040984 k( 74) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0040984 k( 75) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0040984 k( 76) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0040984 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 79) = ( 0.0000000 0.0000000 0.0214893), wk = 0.0040984 k( 80) = ( 0.0000000 0.0000000 0.0429785), wk = 0.0040984 k( 81) = ( 0.0000000 0.0000000 0.0644678), wk = 0.0040984 k( 82) = ( 0.0000000 0.0000000 0.0859570), wk = 0.0040984 k( 83) = ( 0.0000000 0.0000000 0.1074463), wk = 0.0040984 k( 84) = ( 0.0000000 0.0000000 0.1289355), wk = 0.0040984 k( 85) = ( 0.0000000 0.0000000 0.1504248), wk = 0.0040984 k( 86) = ( 0.0000000 0.0000000 0.1719140), wk = 0.0040984 k( 87) = ( 0.0000000 0.0000000 0.1934033), wk = 0.0040984 k( 88) = ( 0.0000000 0.0000000 0.2148925), wk = 0.0040984 k( 89) = ( 0.0000000 0.0000000 0.2363818), wk = 0.0040984 k( 90) = ( 0.0000000 0.0000000 0.2578711), wk = 0.0040984 k( 91) = ( 0.0000000 0.0000000 0.2793603), wk = 0.0040984 k( 92) = ( 0.0000000 0.0000000 0.3008496), wk = 0.0040984 k( 93) = ( 0.0000000 0.0000000 0.3223388), wk = 0.0040984 k( 94) = ( 0.0000000 0.0000000 0.3438281), wk = 0.0040984 k( 95) = ( 0.0000000 0.0000000 0.3653173), wk = 0.0040984 k( 96) = ( 0.0000000 0.0000000 0.3868066), wk = 0.0040984 k( 97) = ( 0.0000000 0.0000000 0.4082959), wk = 0.0040984 k( 98) = ( 0.0000000 0.0000000 0.4297851), wk = 0.0040984 k( 99) = ( 0.0000000 0.0000000 0.4512744), wk = 0.0040984 k( 100) = ( 0.0000000 0.0000000 0.4727636), wk = 0.0040984 k( 101) = ( 0.0000000 0.0000000 0.4942529), wk = 0.0040984 k( 102) = ( 0.0000000 0.0000000 0.5157421), wk = 0.0040984 k( 103) = ( 0.0000000 0.0000000 0.5372314), wk = 0.0040984 k( 104) = ( 0.0000000 0.0000000 0.5587206), wk = 0.0040984 k( 105) = ( 0.0000000 0.0000000 0.5802099), wk = 0.0040984 k( 106) = ( 0.0000000 0.0000000 0.6016991), wk = 0.0040984 k( 107) = ( 0.0000000 0.0000000 0.6231884), wk = 0.0040984 k( 108) = ( 0.0000000 0.0000000 0.6231884), wk = 0.0040984 k( 109) = ( 0.0185185 0.0106917 0.6231884), wk = 0.0040984 k( 110) = ( 0.0370370 0.0213833 0.6231884), wk = 0.0040984 k( 111) = ( 0.0555556 0.0320750 0.6231884), wk = 0.0040984 k( 112) = ( 0.0740741 0.0427667 0.6231884), wk = 0.0040984 k( 113) = ( 0.0925926 0.0534584 0.6231884), wk = 0.0040984 k( 114) = ( 0.1111111 0.0641500 0.6231884), wk = 0.0040984 k( 115) = ( 0.1296296 0.0748417 0.6231884), wk = 0.0040984 k( 116) = ( 0.1481482 0.0855334 0.6231884), wk = 0.0040984 k( 117) = ( 0.1666667 0.0962250 0.6231884), wk = 0.0040984 k( 118) = ( 0.1851852 0.1069167 0.6231884), wk = 0.0040984 k( 119) = ( 0.2037037 0.1176084 0.6231884), wk = 0.0040984 k( 120) = ( 0.2222222 0.1283001 0.6231884), wk = 0.0040984 k( 121) = ( 0.2407407 0.1389917 0.6231884), wk = 0.0040984 k( 122) = ( 0.2592593 0.1496834 0.6231884), wk = 0.0040984 k( 123) = ( 0.2777778 0.1603751 0.6231884), wk = 0.0040984 k( 124) = ( 0.2962963 0.1710667 0.6231884), wk = 0.0040984 k( 125) = ( 0.3148148 0.1817584 0.6231884), wk = 0.0040984 k( 126) = ( 0.3333333 0.1924501 0.6231884), wk = 0.0040984 k( 127) = ( 0.3518519 0.2031418 0.6231884), wk = 0.0040984 k( 128) = ( 0.3703704 0.2138334 0.6231884), wk = 0.0040984 k( 129) = ( 0.3888889 0.2245251 0.6231884), wk = 0.0040984 k( 130) = ( 0.4074074 0.2352168 0.6231884), wk = 0.0040984 k( 131) = ( 0.4259259 0.2459085 0.6231884), wk = 0.0040984 k( 132) = ( 0.4444444 0.2566001 0.6231884), wk = 0.0040984 k( 133) = ( 0.4629630 0.2672918 0.6231884), wk = 0.0040984 k( 134) = ( 0.4814815 0.2779835 0.6231884), wk = 0.0040984 k( 135) = ( 0.5000000 0.2886751 0.6231884), wk = 0.0040984 k( 136) = ( 0.5000000 0.2886751 0.6231884), wk = 0.0040984 k( 137) = ( 0.4895833 0.3067173 0.6231884), wk = 0.0040984 k( 138) = ( 0.4791667 0.3247595 0.6231884), wk = 0.0040984 k( 139) = ( 0.4687500 0.3428017 0.6231884), wk = 0.0040984 k( 140) = ( 0.4583333 0.3608439 0.6231884), wk = 0.0040984 k( 141) = ( 0.4479167 0.3788861 0.6231884), wk = 0.0040984 k( 142) = ( 0.4375000 0.3969283 0.6231884), wk = 0.0040984 k( 143) = ( 0.4270833 0.4149705 0.6231884), wk = 0.0040984 k( 144) = ( 0.4166667 0.4330127 0.6231884), wk = 0.0040984 k( 145) = ( 0.4062500 0.4510549 0.6231884), wk = 0.0040984 k( 146) = ( 0.3958333 0.4690971 0.6231884), wk = 0.0040984 k( 147) = ( 0.3854167 0.4871393 0.6231884), wk = 0.0040984 k( 148) = ( 0.3750000 0.5051815 0.6231884), wk = 0.0040984 k( 149) = ( 0.3645833 0.5232237 0.6231884), wk = 0.0040984 k( 150) = ( 0.3541667 0.5412659 0.6231884), wk = 0.0040984 k( 151) = ( 0.3437500 0.5593081 0.6231884), wk = 0.0040984 k( 152) = ( 0.3333333 0.5773503 0.6231884), wk = 0.0040984 k( 153) = ( 0.3333333 0.5773503 0.6231884), wk = 0.0040984 k( 154) = ( 0.3225807 0.5587261 0.6231884), wk = 0.0040984 k( 155) = ( 0.3118280 0.5401019 0.6231884), wk = 0.0040984 k( 156) = ( 0.3010753 0.5214777 0.6231884), wk = 0.0040984 k( 157) = ( 0.2903226 0.5028535 0.6231884), wk = 0.0040984 k( 158) = ( 0.2795699 0.4842293 0.6231884), wk = 0.0040984 k( 159) = ( 0.2688172 0.4656050 0.6231884), wk = 0.0040984 k( 160) = ( 0.2580645 0.4469809 0.6231884), wk = 0.0040984 k( 161) = ( 0.2473118 0.4283567 0.6231884), wk = 0.0040984 k( 162) = ( 0.2365591 0.4097324 0.6231884), wk = 0.0040984 k( 163) = ( 0.2258064 0.3911082 0.6231884), wk = 0.0040984 k( 164) = ( 0.2150538 0.3724840 0.6231884), wk = 0.0040984 k( 165) = ( 0.2043011 0.3538599 0.6231884), wk = 0.0040984 k( 166) = ( 0.1935484 0.3352356 0.6231884), wk = 0.0040984 k( 167) = ( 0.1827957 0.3166114 0.6231884), wk = 0.0040984 k( 168) = ( 0.1720430 0.2979872 0.6231884), wk = 0.0040984 k( 169) = ( 0.1612903 0.2793630 0.6231884), wk = 0.0040984 k( 170) = ( 0.1505376 0.2607388 0.6231884), wk = 0.0040984 k( 171) = ( 0.1397849 0.2421146 0.6231884), wk = 0.0040984 k( 172) = ( 0.1290323 0.2234904 0.6231884), wk = 0.0040984 k( 173) = ( 0.1182796 0.2048662 0.6231884), wk = 0.0040984 k( 174) = ( 0.1075269 0.1862420 0.6231884), wk = 0.0040984 k( 175) = ( 0.0967742 0.1676178 0.6231884), wk = 0.0040984 k( 176) = ( 0.0860215 0.1489936 0.6231884), wk = 0.0040984 k( 177) = ( 0.0752688 0.1303694 0.6231884), wk = 0.0040984 k( 178) = ( 0.0645161 0.1117452 0.6231884), wk = 0.0040984 k( 179) = ( 0.0537634 0.0931210 0.6231884), wk = 0.0040984 k( 180) = ( 0.0430108 0.0744968 0.6231884), wk = 0.0040984 k( 181) = ( 0.0322581 0.0558726 0.6231884), wk = 0.0040984 k( 182) = ( 0.0215054 0.0372484 0.6231884), wk = 0.0040984 k( 183) = ( 0.0107527 0.0186242 0.6231884), wk = 0.0040984 k( 184) = ( 0.0000000 0.0000000 0.6231884), wk = 0.0040984 k( 185) = ( 0.5000000 0.2886751 0.6231884), wk = 0.0040984 k( 186) = ( 0.5000000 0.2886751 0.6016991), wk = 0.0040984 k( 187) = ( 0.5000000 0.2886751 0.5802099), wk = 0.0040984 k( 188) = ( 0.5000000 0.2886751 0.5587206), wk = 0.0040984 k( 189) = ( 0.5000000 0.2886751 0.5372314), wk = 0.0040984 k( 190) = ( 0.5000000 0.2886751 0.5157421), wk = 0.0040984 k( 191) = ( 0.5000000 0.2886751 0.4942529), wk = 0.0040984 k( 192) = ( 0.5000000 0.2886751 0.4727636), wk = 0.0040984 k( 193) = ( 0.5000000 0.2886751 0.4512744), wk = 0.0040984 k( 194) = ( 0.5000000 0.2886751 0.4297851), wk = 0.0040984 k( 195) = ( 0.5000000 0.2886751 0.4082959), wk = 0.0040984 k( 196) = ( 0.5000000 0.2886751 0.3868066), wk = 0.0040984 k( 197) = ( 0.5000000 0.2886751 0.3653173), wk = 0.0040984 k( 198) = ( 0.5000000 0.2886751 0.3438281), wk = 0.0040984 k( 199) = ( 0.5000000 0.2886751 0.3223388), wk = 0.0040984 k( 200) = ( 0.5000000 0.2886751 0.3008496), wk = 0.0040984 k( 201) = ( 0.5000000 0.2886751 0.2793603), wk = 0.0040984 k( 202) = ( 0.5000000 0.2886751 0.2578711), wk = 0.0040984 k( 203) = ( 0.5000000 0.2886751 0.2363818), wk = 0.0040984 k( 204) = ( 0.5000000 0.2886751 0.2148925), wk = 0.0040984 k( 205) = ( 0.5000000 0.2886751 0.1934033), wk = 0.0040984 k( 206) = ( 0.5000000 0.2886751 0.1719140), wk = 0.0040984 k( 207) = ( 0.5000000 0.2886751 0.1504248), wk = 0.0040984 k( 208) = ( 0.5000000 0.2886751 0.1289355), wk = 0.0040984 k( 209) = ( 0.5000000 0.2886751 0.1074463), wk = 0.0040984 k( 210) = ( 0.5000000 0.2886751 0.0859570), wk = 0.0040984 k( 211) = ( 0.5000000 0.2886751 0.0644678), wk = 0.0040984 k( 212) = ( 0.5000000 0.2886751 0.0429785), wk = 0.0040984 k( 213) = ( 0.5000000 0.2886751 0.0214893), wk = 0.0040984 k( 214) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0040984 k( 215) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0040984 k( 216) = ( 0.3333333 0.5773503 0.0214893), wk = 0.0040984 k( 217) = ( 0.3333333 0.5773503 0.0429785), wk = 0.0040984 k( 218) = ( 0.3333333 0.5773503 0.0644678), wk = 0.0040984 k( 219) = ( 0.3333333 0.5773503 0.0859570), wk = 0.0040984 k( 220) = ( 0.3333333 0.5773503 0.1074463), wk = 0.0040984 k( 221) = ( 0.3333333 0.5773503 0.1289355), wk = 0.0040984 k( 222) = ( 0.3333333 0.5773503 0.1504248), wk = 0.0040984 k( 223) = ( 0.3333333 0.5773503 0.1719140), wk = 0.0040984 k( 224) = ( 0.3333333 0.5773503 0.1934033), wk = 0.0040984 k( 225) = ( 0.3333333 0.5773503 0.2148925), wk = 0.0040984 k( 226) = ( 0.3333333 0.5773503 0.2363818), wk = 0.0040984 k( 227) = ( 0.3333333 0.5773503 0.2578711), wk = 0.0040984 k( 228) = ( 0.3333333 0.5773503 0.2793603), wk = 0.0040984 k( 229) = ( 0.3333333 0.5773503 0.3008496), wk = 0.0040984 k( 230) = ( 0.3333333 0.5773503 0.3223388), wk = 0.0040984 k( 231) = ( 0.3333333 0.5773503 0.3438281), wk = 0.0040984 k( 232) = ( 0.3333333 0.5773503 0.3653173), wk = 0.0040984 k( 233) = ( 0.3333333 0.5773503 0.3868066), wk = 0.0040984 k( 234) = ( 0.3333333 0.5773503 0.4082959), wk = 0.0040984 k( 235) = ( 0.3333333 0.5773503 0.4297851), wk = 0.0040984 k( 236) = ( 0.3333333 0.5773503 0.4512744), wk = 0.0040984 k( 237) = ( 0.3333333 0.5773503 0.4727636), wk = 0.0040984 k( 238) = ( 0.3333333 0.5773503 0.4942529), wk = 0.0040984 k( 239) = ( 0.3333333 0.5773503 0.5157421), wk = 0.0040984 k( 240) = ( 0.3333333 0.5773503 0.5372314), wk = 0.0040984 k( 241) = ( 0.3333333 0.5773503 0.5587206), wk = 0.0040984 k( 242) = ( 0.3333333 0.5773503 0.5802099), wk = 0.0040984 k( 243) = ( 0.3333333 0.5773503 0.6016991), wk = 0.0040984 k( 244) = ( 0.3333333 0.5773503 0.6231884), wk = 0.0040984 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 2) = ( 0.0185185 0.0000000 -0.0000000), wk = 0.0040984 k( 3) = ( 0.0370370 0.0000000 -0.0000000), wk = 0.0040984 k( 4) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0040984 k( 5) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0040984 k( 6) = ( 0.0925926 0.0000000 -0.0000000), wk = 0.0040984 k( 7) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0040984 k( 8) = ( 0.1296296 0.0000000 -0.0000000), wk = 0.0040984 k( 9) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0040984 k( 10) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0040984 k( 11) = ( 0.1851852 0.0000000 -0.0000000), wk = 0.0040984 k( 12) = ( 0.2037037 0.0000000 -0.0000000), wk = 0.0040984 k( 13) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0040984 k( 14) = ( 0.2407407 0.0000000 -0.0000000), wk = 0.0040984 k( 15) = ( 0.2592593 0.0000000 -0.0000000), wk = 0.0040984 k( 16) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0040984 k( 17) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0040984 k( 18) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0040984 k( 19) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0040984 k( 20) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0040984 k( 21) = ( 0.3703704 0.0000000 -0.0000000), wk = 0.0040984 k( 22) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0040984 k( 23) = ( 0.4074074 0.0000000 -0.0000000), wk = 0.0040984 k( 24) = ( 0.4259259 0.0000000 -0.0000000), wk = 0.0040984 k( 25) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0040984 k( 26) = ( 0.4629630 0.0000000 -0.0000000), wk = 0.0040984 k( 27) = ( 0.4814815 0.0000000 -0.0000000), wk = 0.0040984 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040984 k( 29) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040984 k( 30) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0040984 k( 31) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0040984 k( 32) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0040984 k( 33) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0040984 k( 34) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0040984 k( 35) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0040984 k( 36) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0040984 k( 37) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0040984 k( 38) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0040984 k( 39) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0040984 k( 40) = ( 0.3854167 0.2291667 -0.0000000), wk = 0.0040984 k( 41) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0040984 k( 42) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0040984 k( 43) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0040984 k( 44) = ( 0.3437500 0.3125000 -0.0000000), wk = 0.0040984 k( 45) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040984 k( 46) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040984 k( 47) = ( 0.3225807 0.3225807 -0.0000000), wk = 0.0040984 k( 48) = ( 0.3118280 0.3118280 -0.0000000), wk = 0.0040984 k( 49) = ( 0.3010753 0.3010753 -0.0000000), wk = 0.0040984 k( 50) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0040984 k( 51) = ( 0.2795699 0.2795699 -0.0000000), wk = 0.0040984 k( 52) = ( 0.2688172 0.2688172 -0.0000000), wk = 0.0040984 k( 53) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0040984 k( 54) = ( 0.2473118 0.2473118 0.0000000), wk = 0.0040984 k( 55) = ( 0.2365591 0.2365591 0.0000000), wk = 0.0040984 k( 56) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0040984 k( 57) = ( 0.2150538 0.2150538 -0.0000000), wk = 0.0040984 k( 58) = ( 0.2043011 0.2043011 -0.0000000), wk = 0.0040984 k( 59) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0040984 k( 60) = ( 0.1827957 0.1827957 -0.0000000), wk = 0.0040984 k( 61) = ( 0.1720430 0.1720430 -0.0000000), wk = 0.0040984 k( 62) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0040984 k( 63) = ( 0.1505376 0.1505376 -0.0000000), wk = 0.0040984 k( 64) = ( 0.1397849 0.1397849 -0.0000000), wk = 0.0040984 k( 65) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0040984 k( 66) = ( 0.1182796 0.1182796 0.0000000), wk = 0.0040984 k( 67) = ( 0.1075269 0.1075269 -0.0000000), wk = 0.0040984 k( 68) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0040984 k( 69) = ( 0.0860215 0.0860215 0.0000000), wk = 0.0040984 k( 70) = ( 0.0752688 0.0752688 -0.0000000), wk = 0.0040984 k( 71) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0040984 k( 72) = ( 0.0537634 0.0537634 -0.0000000), wk = 0.0040984 k( 73) = ( 0.0430108 0.0430108 -0.0000000), wk = 0.0040984 k( 74) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0040984 k( 75) = ( 0.0215054 0.0215054 0.0000000), wk = 0.0040984 k( 76) = ( 0.0107527 0.0107527 0.0000000), wk = 0.0040984 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040984 k( 79) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0040984 k( 80) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0040984 k( 81) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0040984 k( 82) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0040984 k( 83) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0040984 k( 84) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0040984 k( 85) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0040984 k( 86) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0040984 k( 87) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0040984 k( 88) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0040984 k( 89) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0040984 k( 90) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0040984 k( 91) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0040984 k( 92) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0040984 k( 93) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0040984 k( 94) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0040984 k( 95) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0040984 k( 96) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0040984 k( 97) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0040984 k( 98) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0040984 k( 99) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0040984 k( 100) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0040984 k( 101) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0040984 k( 102) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0040984 k( 103) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0040984 k( 104) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0040984 k( 105) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0040984 k( 106) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0040984 k( 107) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040984 k( 108) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040984 k( 109) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0040984 k( 110) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0040984 k( 111) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0040984 k( 112) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0040984 k( 113) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0040984 k( 114) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0040984 k( 115) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0040984 k( 116) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0040984 k( 117) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0040984 k( 118) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0040984 k( 119) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0040984 k( 120) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0040984 k( 121) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0040984 k( 122) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0040984 k( 123) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0040984 k( 124) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0040984 k( 125) = ( 0.3148148 0.0000000 0.5000000), wk = 0.0040984 k( 126) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0040984 k( 127) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0040984 k( 128) = ( 0.3703704 0.0000000 0.5000000), wk = 0.0040984 k( 129) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0040984 k( 130) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0040984 k( 131) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0040984 k( 132) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0040984 k( 133) = ( 0.4629630 0.0000000 0.5000000), wk = 0.0040984 k( 134) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0040984 k( 135) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040984 k( 136) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040984 k( 137) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0040984 k( 138) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0040984 k( 139) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0040984 k( 140) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0040984 k( 141) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0040984 k( 142) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0040984 k( 143) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0040984 k( 144) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0040984 k( 145) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0040984 k( 146) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0040984 k( 147) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0040984 k( 148) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0040984 k( 149) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0040984 k( 150) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0040984 k( 151) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0040984 k( 152) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0040984 k( 153) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0040984 k( 154) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0040984 k( 155) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0040984 k( 156) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0040984 k( 157) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0040984 k( 158) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0040984 k( 159) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0040984 k( 160) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0040984 k( 161) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0040984 k( 162) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0040984 k( 163) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0040984 k( 164) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0040984 k( 165) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0040984 k( 166) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0040984 k( 167) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0040984 k( 168) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0040984 k( 169) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0040984 k( 170) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0040984 k( 171) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0040984 k( 172) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0040984 k( 173) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0040984 k( 174) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0040984 k( 175) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0040984 k( 176) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0040984 k( 177) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0040984 k( 178) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0040984 k( 179) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0040984 k( 180) = ( 0.0430108 0.0430108 0.5000000), wk = 0.0040984 k( 181) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0040984 k( 182) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0040984 k( 183) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0040984 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040984 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040984 k( 186) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0040984 k( 187) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0040984 k( 188) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0040984 k( 189) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0040984 k( 190) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0040984 k( 191) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0040984 k( 192) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0040984 k( 193) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0040984 k( 194) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0040984 k( 195) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0040984 k( 196) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0040984 k( 197) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0040984 k( 198) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0040984 k( 199) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0040984 k( 200) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0040984 k( 201) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0040984 k( 202) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0040984 k( 203) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0040984 k( 204) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0040984 k( 205) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0040984 k( 206) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0040984 k( 207) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0040984 k( 208) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0040984 k( 209) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0040984 k( 210) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0040984 k( 211) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0040984 k( 212) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0040984 k( 213) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0040984 k( 214) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040984 k( 215) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0040984 k( 216) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0040984 k( 217) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0040984 k( 218) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0040984 k( 219) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0040984 k( 220) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0040984 k( 221) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0040984 k( 222) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0040984 k( 223) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0040984 k( 224) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0040984 k( 225) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0040984 k( 226) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0040984 k( 227) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0040984 k( 228) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0040984 k( 229) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0040984 k( 230) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0040984 k( 231) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0040984 k( 232) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0040984 k( 233) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0040984 k( 234) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0040984 k( 235) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0040984 k( 236) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0040984 k( 237) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0040984 k( 238) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0040984 k( 239) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0040984 k( 240) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0040984 k( 241) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0040984 k( 242) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0040984 k( 243) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0040984 k( 244) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0040984 Dense grid: 150443 G-vectors FFT dimensions: ( 75, 75, 60) Smooth grid: 66429 G-vectors FFT dimensions: ( 60, 60, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 244, 58) NL pseudopotentials 0.35 Mb ( 122, 186) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.02 Mb ( 2091) G-vector shells 0.01 Mb ( 989) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 244, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.33 Mb ( 186, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 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 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.9 secs Computing kpt #: 8 total cpu time spent up to now is 14.4 secs Computing kpt #: 9 total cpu time spent up to now is 15.8 secs Computing kpt #: 10 total cpu time spent up to now is 17.2 secs Computing kpt #: 11 total cpu time spent up to now is 18.7 secs Computing kpt #: 12 total cpu time spent up to now is 20.2 secs Computing kpt #: 13 total cpu time spent up to now is 21.6 secs Computing kpt #: 14 total cpu time spent up to now is 23.1 secs Computing kpt #: 15 total cpu time spent up to now is 24.6 secs Computing kpt #: 16 total cpu time spent up to now is 26.3 secs Computing kpt #: 17 total cpu time spent up to now is 27.9 secs Computing kpt #: 18 total cpu time spent up to now is 29.5 secs Computing kpt #: 19 total cpu time spent up to now is 31.3 secs Computing kpt #: 20 total cpu time spent up to now is 33.2 secs Computing kpt #: 21 total cpu time spent up to now is 35.2 secs Computing kpt #: 22 total cpu time spent up to now is 37.0 secs Computing kpt #: 23 total cpu time spent up to now is 39.3 secs Computing kpt #: 24 total cpu time spent up to now is 41.3 secs Computing kpt #: 25 total cpu time spent up to now is 43.7 secs Computing kpt #: 26 total cpu time spent up to now is 46.5 secs Computing kpt #: 27 total cpu time spent up to now is 48.8 secs Computing kpt #: 28 total cpu time spent up to now is 50.1 secs Computing kpt #: 29 total cpu time spent up to now is 53.1 secs Computing kpt #: 30 total cpu time spent up to now is 55.9 secs Computing kpt #: 31 total cpu time spent up to now is 58.1 secs Computing kpt #: 32 total cpu time spent up to now is 60.7 secs Computing kpt #: 33 total cpu time spent up to now is 63.4 secs Computing kpt #: 34 total cpu time spent up to now is 67.2 secs Computing kpt #: 35 total cpu time spent up to now is 69.0 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.0 secs Computing kpt #: 37 total cpu time spent up to now is 73.7 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.6 secs Computing kpt #: 39 total cpu time spent up to now is 79.5 secs Computing kpt #: 40 total cpu time spent up to now is 81.3 secs Computing kpt #: 41 total cpu time spent up to now is 83.0 secs Computing kpt #: 42 total cpu time spent up to now is 85.6 secs Computing kpt #: 43 total cpu time spent up to now is 87.5 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.6 secs Computing kpt #: 45 total cpu time spent up to now is 91.9 secs Computing kpt #: 46 total cpu time spent up to now is 93.9 secs Computing kpt #: 47 total cpu time spent up to now is 95.8 secs Computing kpt #: 48 total cpu time spent up to now is 97.6 secs Computing kpt #: 49 total cpu time spent up to now is 100.4 secs Computing kpt #: 50 total cpu time spent up to now is 102.3 secs Computing kpt #: 51 total cpu time spent up to now is 104.0 secs Computing kpt #: 52 total cpu time spent up to now is 105.6 secs Computing kpt #: 53 total cpu time spent up to now is 107.7 secs Computing kpt #: 54 total cpu time spent up to now is 109.8 secs Computing kpt #: 55 total cpu time spent up to now is 111.8 secs Computing kpt #: 56 total cpu time spent up to now is 113.5 secs Computing kpt #: 57 total cpu time spent up to now is 115.2 secs Computing kpt #: 58 total cpu time spent up to now is 116.8 secs Computing kpt #: 59 total cpu time spent up to now is 118.4 secs Computing kpt #: 60 total cpu time spent up to now is 120.1 secs Computing kpt #: 61 total cpu time spent up to now is 121.7 secs Computing kpt #: 62 total cpu time spent up to now is 123.2 secs Computing kpt #: 63 total cpu time spent up to now is 124.9 secs Computing kpt #: 64 total cpu time spent up to now is 126.3 secs Computing kpt #: 65 total cpu time spent up to now is 127.8 secs Computing kpt #: 66 total cpu time spent up to now is 129.2 secs Computing kpt #: 67 total cpu time spent up to now is 130.6 secs Computing kpt #: 68 total cpu time spent up to now is 132.0 secs Computing kpt #: 69 total cpu time spent up to now is 133.5 secs Computing kpt #: 70 total cpu time spent up to now is 134.9 secs Computing kpt #: 71 total cpu time spent up to now is 137.1 secs Computing kpt #: 72 total cpu time spent up to now is 138.4 secs Computing kpt #: 73 total cpu time spent up to now is 139.8 secs Computing kpt #: 74 total cpu time spent up to now is 141.2 secs Computing kpt #: 75 total cpu time spent up to now is 142.6 secs Computing kpt #: 76 total cpu time spent up to now is 144.0 secs Computing kpt #: 77 total cpu time spent up to now is 145.9 secs Computing kpt #: 78 total cpu time spent up to now is 147.3 secs Computing kpt #: 79 total cpu time spent up to now is 148.7 secs Computing kpt #: 80 total cpu time spent up to now is 150.0 secs Computing kpt #: 81 total cpu time spent up to now is 151.5 secs Computing kpt #: 82 total cpu time spent up to now is 152.9 secs Computing kpt #: 83 total cpu time spent up to now is 154.3 secs Computing kpt #: 84 total cpu time spent up to now is 155.6 secs Computing kpt #: 85 total cpu time spent up to now is 157.1 secs Computing kpt #: 86 total cpu time spent up to now is 158.6 secs Computing kpt #: 87 total cpu time spent up to now is 160.0 secs Computing kpt #: 88 total cpu time spent up to now is 161.5 secs Computing kpt #: 89 total cpu time spent up to now is 163.1 secs Computing kpt #: 90 total cpu time spent up to now is 164.7 secs Computing kpt #: 91 total cpu time spent up to now is 166.3 secs Computing kpt #: 92 total cpu time spent up to now is 167.8 secs Computing kpt #: 93 total cpu time spent up to now is 169.4 secs Computing kpt #: 94 total cpu time spent up to now is 171.2 secs Computing kpt #: 95 total cpu time spent up to now is 172.8 secs Computing kpt #: 96 total cpu time spent up to now is 174.4 secs Computing kpt #: 97 total cpu time spent up to now is 176.1 secs Computing kpt #: 98 total cpu time spent up to now is 177.9 secs Computing kpt #: 99 total cpu time spent up to now is 179.9 secs Computing kpt #: 100 total cpu time spent up to now is 181.9 secs Computing kpt #: 101 total cpu time spent up to now is 183.6 secs Computing kpt #: 102 total cpu time spent up to now is 185.3 secs Computing kpt #: 103 total cpu time spent up to now is 186.9 secs Computing kpt #: 104 total cpu time spent up to now is 188.5 secs Computing kpt #: 105 total cpu time spent up to now is 190.2 secs Computing kpt #: 106 total cpu time spent up to now is 192.0 secs Computing kpt #: 107 total cpu time spent up to now is 193.6 secs Computing kpt #: 108 total cpu time spent up to now is 195.3 secs Computing kpt #: 109 total cpu time spent up to now is 197.0 secs Computing kpt #: 110 total cpu time spent up to now is 198.6 secs Computing kpt #: 111 total cpu time spent up to now is 200.3 secs Computing kpt #: 112 total cpu time spent up to now is 201.9 secs Computing kpt #: 113 total cpu time spent up to now is 203.5 secs Computing kpt #: 114 total cpu time spent up to now is 205.1 secs Computing kpt #: 115 total cpu time spent up to now is 207.2 secs Computing kpt #: 116 total cpu time spent up to now is 209.0 secs Computing kpt #: 117 total cpu time spent up to now is 210.7 secs Computing kpt #: 118 total cpu time spent up to now is 212.4 secs Computing kpt #: 119 total cpu time spent up to now is 214.2 secs Computing kpt #: 120 total cpu time spent up to now is 216.8 secs Computing kpt #: 121 total cpu time spent up to now is 218.5 secs Computing kpt #: 122 total cpu time spent up to now is 220.2 secs Computing kpt #: 123 total cpu time spent up to now is 222.0 secs Computing kpt #: 124 total cpu time spent up to now is 223.5 secs Computing kpt #: 125 total cpu time spent up to now is 225.1 secs Computing kpt #: 126 total cpu time spent up to now is 226.7 secs Computing kpt #: 127 total cpu time spent up to now is 228.3 secs Computing kpt #: 128 total cpu time spent up to now is 230.0 secs Computing kpt #: 129 total cpu time spent up to now is 231.6 secs Computing kpt #: 130 total cpu time spent up to now is 233.3 secs Computing kpt #: 131 total cpu time spent up to now is 234.9 secs Computing kpt #: 132 total cpu time spent up to now is 236.5 secs Computing kpt #: 133 total cpu time spent up to now is 238.0 secs Computing kpt #: 134 total cpu time spent up to now is 239.7 secs Computing kpt #: 135 total cpu time spent up to now is 241.9 secs Computing kpt #: 136 total cpu time spent up to now is 243.7 secs Computing kpt #: 137 total cpu time spent up to now is 245.3 secs Computing kpt #: 138 total cpu time spent up to now is 246.9 secs Computing kpt #: 139 total cpu time spent up to now is 248.6 secs Computing kpt #: 140 total cpu time spent up to now is 250.3 secs Computing kpt #: 141 total cpu time spent up to now is 252.0 secs Computing kpt #: 142 total cpu time spent up to now is 253.7 secs Computing kpt #: 143 total cpu time spent up to now is 255.4 secs Computing kpt #: 144 total cpu time spent up to now is 257.0 secs Computing kpt #: 145 total cpu time spent up to now is 258.7 secs Computing kpt #: 146 total cpu time spent up to now is 260.3 secs Computing kpt #: 147 total cpu time spent up to now is 261.9 secs Computing kpt #: 148 total cpu time spent up to now is 263.5 secs Computing kpt #: 149 total cpu time spent up to now is 265.2 secs Computing kpt #: 150 total cpu time spent up to now is 266.5 secs Computing kpt #: 151 total cpu time spent up to now is 267.8 secs Computing kpt #: 152 total cpu time spent up to now is 269.1 secs Computing kpt #: 153 total cpu time spent up to now is 270.7 secs Computing kpt #: 154 total cpu time spent up to now is 272.3 secs Computing kpt #: 155 total cpu time spent up to now is 273.6 secs Computing kpt #: 156 total cpu time spent up to now is 276.0 secs Computing kpt #: 157 total cpu time spent up to now is 277.6 secs Computing kpt #: 158 total cpu time spent up to now is 278.9 secs Computing kpt #: 159 total cpu time spent up to now is 280.8 secs Computing kpt #: 160 total cpu time spent up to now is 282.4 secs Computing kpt #: 161 total cpu time spent up to now is 284.1 secs Computing kpt #: 162 total cpu time spent up to now is 286.4 secs Computing kpt #: 163 total cpu time spent up to now is 288.0 secs Computing kpt #: 164 total cpu time spent up to now is 289.7 secs Computing kpt #: 165 total cpu time spent up to now is 291.3 secs Computing kpt #: 166 total cpu time spent up to now is 292.9 secs Computing kpt #: 167 total cpu time spent up to now is 294.6 secs Computing kpt #: 168 total cpu time spent up to now is 296.2 secs Computing kpt #: 169 total cpu time spent up to now is 297.9 secs Computing kpt #: 170 total cpu time spent up to now is 299.5 secs Computing kpt #: 171 total cpu time spent up to now is 301.2 secs Computing kpt #: 172 total cpu time spent up to now is 303.0 secs Computing kpt #: 173 total cpu time spent up to now is 304.7 secs Computing kpt #: 174 total cpu time spent up to now is 306.4 secs Computing kpt #: 175 total cpu time spent up to now is 308.2 secs Computing kpt #: 176 total cpu time spent up to now is 310.1 secs Computing kpt #: 177 total cpu time spent up to now is 311.9 secs Computing kpt #: 178 total cpu time spent up to now is 313.5 secs Computing kpt #: 179 total cpu time spent up to now is 315.2 secs Computing kpt #: 180 total cpu time spent up to now is 316.8 secs Computing kpt #: 181 total cpu time spent up to now is 318.4 secs Computing kpt #: 182 total cpu time spent up to now is 320.1 secs Computing kpt #: 183 total cpu time spent up to now is 321.7 secs Computing kpt #: 184 total cpu time spent up to now is 323.3 secs Computing kpt #: 185 total cpu time spent up to now is 325.0 secs Computing kpt #: 186 total cpu time spent up to now is 326.7 secs Computing kpt #: 187 total cpu time spent up to now is 328.3 secs Computing kpt #: 188 total cpu time spent up to now is 330.0 secs Computing kpt #: 189 total cpu time spent up to now is 331.6 secs Computing kpt #: 190 total cpu time spent up to now is 333.3 secs Computing kpt #: 191 total cpu time spent up to now is 335.0 secs Computing kpt #: 192 total cpu time spent up to now is 336.7 secs Computing kpt #: 193 total cpu time spent up to now is 338.4 secs Computing kpt #: 194 total cpu time spent up to now is 340.1 secs Computing kpt #: 195 total cpu time spent up to now is 341.8 secs Computing kpt #: 196 total cpu time spent up to now is 343.5 secs Computing kpt #: 197 total cpu time spent up to now is 345.2 secs Computing kpt #: 198 total cpu time spent up to now is 347.2 secs Computing kpt #: 199 total cpu time spent up to now is 349.0 secs Computing kpt #: 200 total cpu time spent up to now is 350.8 secs Computing kpt #: 201 total cpu time spent up to now is 352.6 secs Computing kpt #: 202 total cpu time spent up to now is 354.6 secs Computing kpt #: 203 total cpu time spent up to now is 356.6 secs Computing kpt #: 204 total cpu time spent up to now is 358.4 secs Computing kpt #: 205 total cpu time spent up to now is 360.5 secs Computing kpt #: 206 total cpu time spent up to now is 363.0 secs Computing kpt #: 207 total cpu time spent up to now is 365.4 secs Computing kpt #: 208 total cpu time spent up to now is 367.8 secs Computing kpt #: 209 total cpu time spent up to now is 370.3 secs Computing kpt #: 210 total cpu time spent up to now is 372.7 secs Computing kpt #: 211 total cpu time spent up to now is 375.3 secs Computing kpt #: 212 total cpu time spent up to now is 377.9 secs Computing kpt #: 213 total cpu time spent up to now is 379.9 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.9 secs Computing kpt #: 215 total cpu time spent up to now is 385.0 secs Computing kpt #: 216 total cpu time spent up to now is 387.2 secs Computing kpt #: 217 total cpu time spent up to now is 388.9 secs Computing kpt #: 218 total cpu time spent up to now is 391.6 secs Computing kpt #: 219 total cpu time spent up to now is 393.4 secs Computing kpt #: 220 total cpu time spent up to now is 396.2 secs Computing kpt #: 221 total cpu time spent up to now is 398.3 secs Computing kpt #: 222 total cpu time spent up to now is 400.5 secs Computing kpt #: 223 total cpu time spent up to now is 402.3 secs Computing kpt #: 224 total cpu time spent up to now is 404.2 secs Computing kpt #: 225 total cpu time spent up to now is 406.0 secs Computing kpt #: 226 total cpu time spent up to now is 407.8 secs Computing kpt #: 227 total cpu time spent up to now is 409.5 secs Computing kpt #: 228 total cpu time spent up to now is 411.2 secs Computing kpt #: 229 total cpu time spent up to now is 412.8 secs Computing kpt #: 230 total cpu time spent up to now is 414.4 secs Computing kpt #: 231 total cpu time spent up to now is 417.4 secs Computing kpt #: 232 total cpu time spent up to now is 419.0 secs Computing kpt #: 233 total cpu time spent up to now is 420.6 secs Computing kpt #: 234 total cpu time spent up to now is 422.3 secs Computing kpt #: 235 total cpu time spent up to now is 423.9 secs Computing kpt #: 236 total cpu time spent up to now is 425.5 secs Computing kpt #: 237 total cpu time spent up to now is 427.1 secs Computing kpt #: 238 total cpu time spent up to now is 428.7 secs Computing kpt #: 239 total cpu time spent up to now is 430.3 secs Computing kpt #: 240 total cpu time spent up to now is 431.7 secs Computing kpt #: 241 total cpu time spent up to now is 433.0 secs Computing kpt #: 242 total cpu time spent up to now is 434.5 secs Computing kpt #: 243 total cpu time spent up to now is 436.1 secs Computing kpt #: 244 total cpu time spent up to now is 437.7 secs ethr = 2.08E-08, avg # of iterations = 50.1 total cpu time spent up to now is 437.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8273 PWs) bands (ev): -20.1426 -20.1426 -20.0066 -20.0066 -20.0066 -20.0066 -19.2121 -19.2121 -19.2118 -19.2118 -19.2029 -19.2029 -6.6567 -6.6567 -6.6560 -6.6560 -5.8961 -5.8961 -4.9480 -4.9480 -4.8974 -4.8974 -4.8959 -4.8959 -4.6113 -4.6113 -4.4219 -4.4219 -4.4198 -4.4198 -4.1091 -4.1091 -4.0032 -4.0032 -3.9974 -3.9974 -3.3746 -3.3746 -3.3666 -3.3666 -3.2541 -3.2541 -3.2488 -3.2488 -3.0423 -3.0423 -3.0409 -3.0409 -0.7014 -0.7014 1.1375 1.1375 1.1459 1.1459 4.2034 4.2034 4.2070 4.2070 k = 0.0185 0.0107-0.0000 ( 8291 PWs) bands (ev): -20.1424 -20.1424 -20.0067 -20.0067 -20.0067 -20.0066 -19.2123 -19.2122 -19.2119 -19.2119 -19.2026 -19.2026 -6.6569 -6.6568 -6.6557 -6.6557 -5.8961 -5.8960 -4.9559 -4.9527 -4.8971 -4.8965 -4.8918 -4.8877 -4.6126 -4.6121 -4.4215 -4.4214 -4.4194 -4.4188 -4.1108 -4.1088 -4.0047 -4.0026 -3.9978 -3.9977 -3.3752 -3.3750 -3.3672 -3.3662 -3.2545 -3.2531 -3.2485 -3.2485 -3.0424 -3.0423 -3.0410 -3.0406 -0.6992 -0.6991 1.1365 1.1365 1.1448 1.1449 4.2036 4.2036 4.2072 4.2073 k = 0.0370 0.0214-0.0000 ( 8301 PWs) bands (ev): -20.1421 -20.1420 -20.0070 -20.0069 -20.0069 -20.0068 -19.2130 -19.2129 -19.2120 -19.2119 -19.2018 -19.2018 -6.6580 -6.6579 -6.6542 -6.6541 -5.8960 -5.8959 -4.9699 -4.9658 -4.8970 -4.8964 -4.8776 -4.8719 -4.6156 -4.6146 -4.4213 -4.4207 -4.4164 -4.4157 -4.1138 -4.1100 -4.0071 -4.0039 -3.9990 -3.9977 -3.3767 -3.3765 -3.3676 -3.3660 -3.2543 -3.2518 -3.2478 -3.2473 -3.0429 -3.0422 -3.0405 -3.0400 -0.6928 -0.6926 1.1333 1.1335 1.1416 1.1419 4.2042 4.2043 4.2079 4.2081 k = 0.0556 0.0321-0.0000 ( 8313 PWs) bands (ev): -20.1414 -20.1414 -20.0073 -20.0073 -20.0072 -20.0072 -19.2141 -19.2139 -19.2121 -19.2120 -19.2007 -19.2006 -6.6599 -6.6598 -6.6515 -6.6514 -5.8960 -5.8958 -4.9856 -4.9813 -4.8970 -4.8961 -4.8600 -4.8535 -4.6202 -4.6188 -4.4213 -4.4202 -4.4111 -4.4103 -4.1181 -4.1126 -4.0107 -4.0075 -4.0005 -3.9972 -3.3794 -3.3789 -3.3677 -3.3658 -3.2535 -3.2504 -3.2465 -3.2452 -3.0438 -3.0423 -3.0393 -3.0387 -0.6821 -0.6818 1.1279 1.1285 1.1363 1.1370 4.2048 4.2051 4.2092 4.2098 k = 0.0741 0.0428-0.0000 ( 8309 PWs) bands (ev): -20.1405 -20.1405 -20.0079 -20.0078 -20.0077 -20.0076 -19.2152 -19.2151 -19.2122 -19.2120 -19.1994 -19.1993 -6.6625 -6.6624 -6.6477 -6.6476 -5.8960 -5.8958 -5.0014 -4.9971 -4.8969 -4.8958 -4.8411 -4.8341 -4.6260 -4.6242 -4.4213 -4.4198 -4.4042 -4.4033 -4.1235 -4.1165 -4.0160 -4.0130 -4.0019 -3.9967 -3.3833 -3.3823 -3.3675 -3.3654 -3.2525 -3.2490 -3.2448 -3.2422 -3.0450 -3.0427 -3.0377 -3.0368 -0.6672 -0.6669 1.1204 1.1217 1.1290 1.1303 4.2054 4.2059 4.2115 4.2123 k = 0.0926 0.0535-0.0000 ( 8309 PWs) bands (ev): -20.1394 -20.1394 -20.0086 -20.0086 -20.0082 -20.0081 -19.2165 -19.2163 -19.2123 -19.2121 -19.1980 -19.1978 -6.6657 -6.6656 -6.6429 -6.6427 -5.8961 -5.8959 -5.0165 -5.0125 -4.8968 -4.8955 -4.8217 -4.8142 -4.6325 -4.6304 -4.4213 -4.4194 -4.3960 -4.3951 -4.1297 -4.1215 -4.0230 -4.0202 -4.0034 -3.9965 -3.3880 -3.3865 -3.3668 -3.3645 -3.2513 -3.2476 -3.2424 -3.2385 -3.0464 -3.0435 -3.0355 -3.0344 -0.6484 -0.6479 1.1105 1.1128 1.1197 1.1221 4.2059 4.2066 4.2146 4.2157 k = 0.1111 0.0642-0.0000 ( 8315 PWs) bands (ev): -20.1380 -20.1380 -20.0095 -20.0095 -20.0088 -20.0087 -19.2177 -19.2175 -19.2125 -19.2122 -19.1965 -19.1963 -6.6696 -6.6695 -6.6370 -6.6368 -5.8966 -5.8963 -5.0308 -5.0269 -4.8968 -4.8953 -4.8023 -4.7943 -4.6394 -4.6369 -4.4214 -4.4190 -4.3871 -4.3860 -4.1367 -4.1275 -4.0315 -4.0288 -4.0051 -3.9968 -3.3933 -3.3915 -3.3657 -3.3632 -3.2502 -3.2462 -3.2393 -3.2345 -3.0479 -3.0444 -3.0328 -3.0316 -0.6256 -0.6251 1.0983 1.1016 1.1090 1.1124 4.2064 4.2072 4.2186 4.2199 k = 0.1296 0.0748-0.0000 ( 8311 PWs) bands (ev): -20.1364 -20.1364 -20.0106 -20.0106 -20.0095 -20.0094 -19.2190 -19.2187 -19.2126 -19.2124 -19.1949 -19.1948 -6.6740 -6.6738 -6.6302 -6.6300 -5.8974 -5.8971 -5.0439 -5.0402 -4.8968 -4.8951 -4.7829 -4.7744 -4.6461 -4.6433 -4.4214 -4.4186 -4.3777 -4.3765 -4.1443 -4.1342 -4.0415 -4.0387 -4.0070 -3.9977 -3.3991 -3.3970 -3.3640 -3.3614 -3.2492 -3.2449 -3.2356 -3.2302 -3.0497 -3.0456 -3.0298 -3.0284 -0.5992 -0.5985 1.0837 1.0877 1.0974 1.1014 4.2069 4.2077 4.2235 4.2249 k = 0.1481 0.0855-0.0000 ( 8309 PWs) bands (ev): -20.1346 -20.1345 -20.0119 -20.0118 -20.0102 -20.0102 -19.2202 -19.2199 -19.2128 -19.2125 -19.1934 -19.1933 -6.6788 -6.6786 -6.6224 -6.6222 -5.8988 -5.8985 -5.0557 -5.0522 -4.8970 -4.8951 -4.7640 -4.7550 -4.6524 -4.6493 -4.4215 -4.4183 -4.3683 -4.3668 -4.1524 -4.1415 -4.0527 -4.0498 -4.0094 -3.9993 -3.4052 -3.4031 -3.3618 -3.3589 -3.2482 -3.2437 -3.2314 -3.2257 -3.0516 -3.0470 -3.0264 -3.0248 -0.5693 -0.5686 1.0668 1.0710 1.0851 1.0894 4.2072 4.2081 4.2291 4.2308 k = 0.1667 0.0962-0.0000 ( 8307 PWs) bands (ev): -20.1325 -20.1324 -20.0134 -20.0133 -20.0110 -20.0109 -19.2214 -19.2211 -19.2130 -19.2127 -19.1919 -19.1918 -6.6840 -6.6838 -6.6137 -6.6135 -5.9008 -5.9004 -5.0661 -5.0628 -4.8974 -4.8953 -4.7459 -4.7364 -4.6577 -4.6540 -4.4217 -4.4180 -4.3591 -4.3574 -4.1607 -4.1493 -4.0650 -4.0618 -4.0123 -4.0017 -3.4116 -3.4094 -3.3589 -3.3558 -3.2473 -3.2426 -3.2270 -3.2211 -3.0537 -3.0485 -3.0226 -3.0210 -0.5362 -0.5354 1.0476 1.0519 1.0720 1.0764 4.2074 4.2084 4.2355 4.2374 k = 0.1852 0.1069-0.0000 ( 8299 PWs) bands (ev): -20.1302 -20.1302 -20.0151 -20.0150 -20.0118 -20.0118 -19.2225 -19.2222 -19.2132 -19.2129 -19.1905 -19.1903 -6.6895 -6.6893 -6.6042 -6.6039 -5.9036 -5.9032 -5.0749 -5.0719 -4.8980 -4.8958 -4.7292 -4.7193 -4.6612 -4.6567 -4.4221 -4.4179 -4.3505 -4.3484 -4.1692 -4.1573 -4.0780 -4.0745 -4.0158 -4.0047 -3.4180 -3.4158 -3.3554 -3.3521 -3.2465 -3.2415 -3.2224 -3.2164 -3.0559 -3.0502 -3.0187 -3.0170 -0.5001 -0.4992 1.0260 1.0302 1.0584 1.0627 4.2075 4.2085 4.2427 4.2447 k = 0.2037 0.1176-0.0000 ( 8289 PWs) bands (ev): -20.1277 -20.1276 -20.0170 -20.0169 -20.0127 -20.0126 -19.2235 -19.2232 -19.2134 -19.2131 -19.1890 -19.1889 -6.6952 -6.6950 -6.5939 -6.5936 -5.9072 -5.9068 -5.0821 -5.0793 -4.8989 -4.8966 -4.7153 -4.7053 -4.6616 -4.6559 -4.4226 -4.4180 -4.3426 -4.3402 -4.1777 -4.1656 -4.0916 -4.0875 -4.0199 -4.0085 -3.4245 -3.4224 -3.3512 -3.3477 -3.2457 -3.2404 -3.2177 -3.2118 -3.0582 -3.0521 -3.0145 -3.0128 -0.4612 -0.4602 1.0022 1.0063 1.0443 1.0484 4.2074 4.2084 4.2506 4.2528 k = 0.2222 0.1283-0.0000 ( 8299 PWs) bands (ev): -20.1250 -20.1250 -20.0190 -20.0190 -20.0135 -20.0135 -19.2245 -19.2242 -19.2136 -19.2133 -19.1876 -19.1875 -6.7010 -6.7007 -6.5829 -6.5826 -5.9118 -5.9113 -5.0878 -5.0851 -4.9001 -4.8978 -4.7057 -4.6967 -4.6565 -4.6495 -4.4234 -4.4184 -4.3358 -4.3330 -4.1862 -4.1740 -4.1053 -4.1005 -4.0246 -4.0130 -3.4309 -3.4289 -3.3465 -3.3428 -3.2449 -3.2394 -3.2130 -3.2072 -3.0606 -3.0541 -3.0103 -3.0085 -0.4198 -0.4188 0.9762 0.9800 1.0298 1.0337 4.2071 4.2082 4.2593 4.2616 k = 0.2407 0.1390-0.0000 ( 8305 PWs) bands (ev): -20.1222 -20.1221 -20.0213 -20.0212 -20.0144 -20.0144 -19.2254 -19.2251 -19.2138 -19.2135 -19.1863 -19.1862 -6.7068 -6.7066 -6.5714 -6.5710 -5.9172 -5.9167 -5.0918 -5.0894 -4.9017 -4.8994 -4.7007 -4.6934 -4.6457 -4.6377 -4.4245 -4.4191 -4.3303 -4.3272 -4.1948 -4.1826 -4.1188 -4.1128 -4.0299 -4.0182 -3.4371 -3.4353 -3.3413 -3.3374 -3.2440 -3.2382 -3.2084 -3.2027 -3.0631 -3.0562 -3.0060 -3.0042 -0.3763 -0.3752 0.9479 0.9516 1.0152 1.0189 4.2067 4.2078 4.2686 4.2710 k = 0.2593 0.1497-0.0000 ( 8301 PWs) bands (ev): -20.1191 -20.1190 -20.0238 -20.0237 -20.0153 -20.0152 -19.2263 -19.2259 -19.2141 -19.2137 -19.1850 -19.1849 -6.7125 -6.7123 -6.5593 -6.5589 -5.9236 -5.9231 -5.0943 -5.0920 -4.9037 -4.9014 -4.6984 -4.6926 -4.6315 -4.6227 -4.4261 -4.4202 -4.3262 -4.3228 -4.2035 -4.1917 -4.1312 -4.1239 -4.0356 -4.0238 -3.4432 -3.4415 -3.3357 -3.3316 -3.2429 -3.2369 -3.2040 -3.1984 -3.0658 -3.0586 -3.0017 -2.9999 -0.3307 -0.3295 0.9176 0.9210 1.0006 1.0041 4.2062 4.2073 4.2785 4.2810 k = 0.2778 0.1604-0.0000 ( 8319 PWs) bands (ev): -20.1159 -20.1158 -20.0264 -20.0263 -20.0161 -20.0160 -19.2270 -19.2267 -19.2143 -19.2139 -19.1838 -19.1837 -6.7182 -6.7180 -6.5468 -6.5465 -5.9309 -5.9303 -5.0954 -5.0932 -4.9060 -4.9037 -4.6970 -4.6923 -4.6159 -4.6064 -4.4283 -4.4219 -4.3236 -4.3201 -4.2128 -4.2015 -4.1419 -4.1330 -4.0418 -4.0300 -3.4490 -3.4475 -3.3300 -3.3258 -3.2416 -3.2353 -3.1998 -3.1943 -3.0685 -3.0611 -2.9974 -2.9958 -0.2834 -0.2822 0.8851 0.8883 0.9863 0.9895 4.2055 4.2066 4.2890 4.2916 k = 0.2963 0.1711-0.0000 ( 8324 PWs) bands (ev): -20.1125 -20.1124 -20.0292 -20.0291 -20.0169 -20.0169 -19.2277 -19.2274 -19.2145 -19.2141 -19.1827 -19.1826 -6.7236 -6.7234 -6.5341 -6.5337 -5.9389 -5.9384 -5.0951 -5.0931 -4.9086 -4.9064 -4.6955 -4.6917 -4.5999 -4.5899 -4.4310 -4.4242 -4.3224 -4.3189 -4.2230 -4.2125 -4.1501 -4.1397 -4.0483 -4.0366 -3.4545 -3.4531 -3.3242 -3.3199 -3.2399 -3.2334 -3.1958 -3.1905 -3.0714 -3.0637 -2.9933 -2.9917 -0.2347 -0.2334 0.8507 0.8537 0.9723 0.9753 4.2048 4.2059 4.3000 4.3027 k = 0.3148 0.1818-0.0000 ( 8314 PWs) bands (ev): -20.1090 -20.1088 -20.0322 -20.0321 -20.0177 -20.0176 -19.2284 -19.2281 -19.2147 -19.2144 -19.1816 -19.1815 -6.7288 -6.7286 -6.5213 -6.5209 -5.9476 -5.9470 -5.0937 -5.0919 -4.9115 -4.9094 -4.6936 -4.6904 -4.5840 -4.5735 -4.4344 -4.4271 -4.3225 -4.3191 -4.2344 -4.2247 -4.1553 -4.1439 -4.0552 -4.0435 -3.4597 -3.4584 -3.3186 -3.3142 -3.2376 -3.2311 -3.1922 -3.1871 -3.0743 -3.0665 -2.9894 -2.9879 -0.1847 -0.1834 0.8144 0.8172 0.9590 0.9616 4.2040 4.2050 4.3115 4.3142 k = 0.3333 0.1925-0.0000 ( 8306 PWs) bands (ev): -20.1053 -20.1052 -20.0354 -20.0353 -20.0184 -20.0183 -19.2289 -19.2286 -19.2149 -19.2146 -19.1807 -19.1806 -6.7337 -6.7335 -6.5085 -6.5082 -5.9567 -5.9561 -5.0914 -5.0897 -4.9145 -4.9126 -4.6910 -4.6884 -4.5686 -4.5576 -4.4383 -4.4305 -4.3235 -4.3203 -4.2469 -4.2380 -4.1577 -4.1457 -4.0622 -4.0505 -3.4644 -3.4633 -3.3133 -3.3090 -3.2348 -3.2282 -3.1890 -3.1840 -3.0772 -3.0695 -2.9856 -2.9843 -0.1338 -0.1325 0.7763 0.7789 0.9463 0.9487 4.2032 4.2042 4.3234 4.3261 k = 0.3519 0.2031-0.0000 ( 8318 PWs) bands (ev): -20.1016 -20.1014 -20.0387 -20.0386 -20.0191 -20.0190 -19.2294 -19.2291 -19.2151 -19.2148 -19.1798 -19.1797 -6.7382 -6.7380 -6.4961 -6.4957 -5.9660 -5.9655 -5.0883 -5.0868 -4.9176 -4.9159 -4.6878 -4.6857 -4.5540 -4.5426 -4.4427 -4.4344 -4.3250 -4.3221 -4.2601 -4.2520 -4.1577 -4.1455 -4.0693 -4.0578 -3.4688 -3.4678 -3.3084 -3.3044 -3.2312 -3.2249 -3.1862 -3.1814 -3.0802 -3.0725 -2.9822 -2.9809 -0.0822 -0.0808 0.7365 0.7389 0.9346 0.9367 4.2024 4.2033 4.3355 4.3382 k = 0.3704 0.2138-0.0000 ( 8326 PWs) bands (ev): -20.0977 -20.0976 -20.0422 -20.0420 -20.0197 -20.0196 -19.2298 -19.2296 -19.2153 -19.2150 -19.1790 -19.1789 -6.7422 -6.7421 -6.4841 -6.4838 -5.9754 -5.9749 -5.0848 -5.0834 -4.9207 -4.9191 -4.6841 -4.6825 -4.5406 -4.5289 -4.4469 -4.4383 -4.3269 -4.3241 -4.2737 -4.2662 -4.1561 -4.1439 -4.0764 -4.0650 -3.4727 -3.4719 -3.3042 -3.3005 -3.2270 -3.2210 -3.1840 -3.1793 -3.0831 -3.0756 -2.9790 -2.9779 -0.0302 -0.0288 0.6952 0.6974 0.9239 0.9257 4.2017 4.2025 4.3477 4.3504 k = 0.3889 0.2245-0.0000 ( 8330 PWs) bands (ev): -20.0938 -20.0936 -20.0457 -20.0456 -20.0202 -20.0202 -19.2302 -19.2300 -19.2154 -19.2152 -19.1783 -19.1783 -6.7459 -6.7457 -6.4729 -6.4726 -5.9844 -5.9839 -5.0810 -5.0797 -4.9237 -4.9223 -4.6800 -4.6787 -4.5290 -4.5174 -4.4501 -4.4413 -4.3290 -4.3260 -4.2872 -4.2804 -4.1532 -4.1411 -4.0835 -4.0722 -3.4761 -3.4754 -3.3007 -3.2974 -3.2222 -3.2166 -3.1823 -3.1779 -3.0858 -3.0787 -2.9762 -2.9753 0.0219 0.0234 0.6526 0.6547 0.9143 0.9159 4.2010 4.2017 4.3600 4.3626 k = 0.4074 0.2352-0.0000 ( 8334 PWs) bands (ev): -20.0898 -20.0896 -20.0494 -20.0493 -20.0207 -20.0206 -19.2305 -19.2303 -19.2155 -19.2153 -19.1777 -19.1777 -6.7490 -6.7489 -6.4627 -6.4624 -5.9928 -5.9924 -5.0772 -5.0761 -4.9264 -4.9252 -4.6756 -4.6747 -4.5199 -4.5092 -4.4510 -4.4426 -4.3313 -4.3274 -4.3002 -4.2941 -4.1494 -4.1376 -4.0905 -4.0793 -3.4791 -3.4785 -3.2977 -3.2950 -3.2169 -3.2120 -3.1812 -3.1771 -3.0882 -3.0818 -2.9738 -2.9730 0.0738 0.0753 0.6089 0.6109 0.9060 0.9074 4.2004 4.2010 4.3722 4.3745 k = 0.4259 0.2459-0.0000 ( 8340 PWs) bands (ev): -20.0857 -20.0856 -20.0532 -20.0531 -20.0210 -20.0210 -19.2307 -19.2306 -19.2157 -19.2155 -19.1772 -19.1772 -6.7516 -6.7515 -6.4538 -6.4536 -6.0003 -5.9999 -5.0736 -5.0727 -4.9288 -4.9278 -4.6714 -4.6708 -4.5140 -4.5053 -4.4483 -4.4413 -4.3341 -4.3285 -4.3125 -4.3067 -4.1450 -4.1335 -4.0973 -4.0862 -3.4815 -3.4810 -3.2954 -3.2932 -3.2114 -3.2073 -3.1808 -3.1771 -3.0902 -3.0847 -2.9717 -2.9711 0.1249 0.1264 0.5647 0.5665 0.8992 0.9002 4.1998 4.2003 4.3838 4.3860 k = 0.4444 0.2566-0.0000 ( 8342 PWs) bands (ev): -20.0816 -20.0815 -20.0571 -20.0570 -20.0213 -20.0213 -19.2309 -19.2308 -19.2157 -19.2156 -19.1769 -19.1768 -6.7536 -6.7535 -6.4465 -6.4463 -6.0065 -6.0062 -5.0706 -5.0699 -4.9308 -4.9300 -4.6676 -4.6672 -4.5112 -4.5051 -4.4427 -4.4372 -4.3379 -4.3291 -4.3238 -4.3169 -4.1402 -4.1290 -4.1037 -4.0929 -3.4834 -3.4830 -3.2937 -3.2920 -3.2061 -3.2028 -3.1810 -3.1779 -3.0918 -3.0873 -2.9701 -2.9696 0.1743 0.1757 0.5207 0.5224 0.8938 0.8945 4.1994 4.1998 4.3947 4.3965 k = 0.4630 0.2673-0.0000 ( 8328 PWs) bands (ev): -20.0775 -20.0774 -20.0611 -20.0609 -20.0216 -20.0215 -19.2310 -19.2309 -19.2158 -19.2157 -19.1766 -19.1766 -6.7551 -6.7550 -6.4410 -6.4409 -6.0111 -6.0110 -5.0682 -5.0677 -4.9322 -4.9317 -4.6644 -4.6642 -4.5105 -4.5067 -4.4359 -4.4319 -4.3427 -4.3341 -4.3292 -4.3232 -4.1351 -4.1246 -4.1096 -4.0993 -3.4847 -3.4845 -3.2924 -3.2913 -3.2012 -3.1988 -3.1816 -3.1793 -3.0927 -3.0896 -2.9689 -2.9686 0.2201 0.2214 0.4790 0.4804 0.8899 0.8904 4.1992 4.1994 4.4041 4.4055 k = 0.4815 0.2780-0.0000 ( 8338 PWs) bands (ev): -20.0734 -20.0733 -20.0651 -20.0649 -20.0217 -20.0217 -19.2311 -19.2310 -19.2158 -19.2158 -19.1764 -19.1764 -6.7559 -6.7559 -6.4376 -6.4376 -6.0140 -6.0140 -5.0666 -5.0664 -4.9330 -4.9328 -4.6624 -4.6623 -4.5104 -4.5087 -4.4300 -4.4278 -4.3465 -4.3422 -4.3289 -4.3264 -4.1299 -4.1219 -4.1131 -4.1053 -3.4855 -3.4854 -3.2916 -3.2910 -3.1972 -3.1959 -3.1824 -3.1810 -3.0929 -3.0913 -2.9682 -2.9680 0.2575 0.2584 0.4444 0.4453 0.8876 0.8879 4.1990 4.1992 4.4108 4.4116 k = 0.5000 0.2887-0.0000 ( 8346 PWs) bands (ev): -20.0701 -20.0701 -20.0683 -20.0683 -20.0217 -20.0217 -19.2311 -19.2311 -19.2158 -19.2158 -19.1764 -19.1764 -6.7562 -6.7562 -6.4365 -6.4365 -6.0150 -6.0150 -5.0660 -5.0660 -4.9332 -4.9332 -4.6616 -4.6616 -4.5099 -4.5099 -4.4269 -4.4269 -4.3466 -4.3466 -4.3281 -4.3281 -4.1248 -4.1248 -4.1105 -4.1105 -3.4857 -3.4857 -3.2911 -3.2911 -3.1953 -3.1953 -3.1823 -3.1823 -3.0924 -3.0924 -2.9678 -2.9678 0.2740 0.2740 0.4295 0.4295 0.8869 0.8869 4.1990 4.1990 4.4136 4.4136 k = 0.5000 0.2887-0.0000 ( 8346 PWs) bands (ev): -20.0701 -20.0701 -20.0683 -20.0683 -20.0217 -20.0217 -19.2311 -19.2311 -19.2158 -19.2158 -19.1764 -19.1764 -6.7562 -6.7562 -6.4365 -6.4365 -6.0150 -6.0150 -5.0660 -5.0660 -4.9332 -4.9332 -4.6616 -4.6616 -4.5099 -4.5099 -4.4269 -4.4269 -4.3466 -4.3466 -4.3281 -4.3281 -4.1248 -4.1248 -4.1105 -4.1105 -3.4857 -3.4857 -3.2911 -3.2911 -3.1953 -3.1953 -3.1823 -3.1823 -3.0924 -3.0924 -2.9678 -2.9678 0.2740 0.2740 0.4295 0.4295 0.8869 0.8869 4.1990 4.1990 4.4136 4.4136 k = 0.4896 0.3067-0.0000 ( 8346 PWs) bands (ev): -20.0700 -20.0700 -20.0682 -20.0682 -20.0219 -20.0219 -19.2311 -19.2310 -19.2159 -19.2158 -19.1763 -19.1763 -6.7566 -6.7566 -6.4354 -6.4353 -6.0161 -6.0161 -5.0653 -5.0652 -4.9333 -4.9332 -4.6615 -4.6612 -4.5101 -4.5099 -4.4280 -4.4278 -4.3468 -4.3466 -4.3280 -4.3270 -4.1250 -4.1248 -4.1114 -4.1111 -3.4855 -3.4853 -3.2913 -3.2907 -3.1956 -3.1955 -3.1821 -3.1817 -3.0923 -3.0923 -2.9680 -2.9679 0.2748 0.2749 0.4300 0.4301 0.8854 0.8855 4.1991 4.1992 4.4136 4.4138 k = 0.4792 0.3248-0.0000 ( 8338 PWs) bands (ev): -20.0698 -20.0698 -20.0680 -20.0680 -20.0223 -20.0223 -19.2310 -19.2309 -19.2160 -19.2160 -19.1763 -19.1763 -6.7576 -6.7576 -6.4320 -6.4320 -6.0194 -6.0193 -5.0630 -5.0628 -4.9335 -4.9331 -4.6608 -4.6603 -4.5103 -4.5099 -4.4310 -4.4306 -4.3472 -4.3469 -4.3267 -4.3247 -4.1256 -4.1250 -4.1136 -4.1127 -3.4848 -3.4844 -3.2911 -3.2901 -3.1966 -3.1964 -3.1809 -3.1801 -3.0920 -3.0919 -2.9684 -2.9682 0.2774 0.2776 0.4316 0.4316 0.8811 0.8813 4.1993 4.1996 4.4137 4.4141 k = 0.4688 0.3428-0.0000 ( 8356 PWs) bands (ev): -20.0695 -20.0694 -20.0677 -20.0677 -20.0230 -20.0230 -19.2308 -19.2308 -19.2163 -19.2162 -19.1761 -19.1761 -6.7593 -6.7593 -6.4266 -6.4265 -6.0248 -6.0246 -5.0592 -5.0589 -4.9336 -4.9332 -4.6596 -4.6587 -4.5106 -4.5101 -4.4356 -4.4352 -4.3478 -4.3474 -4.3242 -4.3215 -4.1274 -4.1262 -4.1162 -4.1147 -3.4835 -3.4830 -3.2907 -3.2892 -3.1982 -3.1978 -3.1788 -3.1777 -3.0914 -3.0913 -2.9691 -2.9687 0.2818 0.2821 0.4341 0.4342 0.8739 0.8743 4.1998 4.2001 4.4139 4.4146 k = 0.4583 0.3608-0.0000 ( 8358 PWs) bands (ev): -20.0690 -20.0690 -20.0672 -20.0672 -20.0240 -20.0239 -19.2306 -19.2306 -19.2166 -19.2166 -19.1760 -19.1760 -6.7615 -6.7615 -6.4191 -6.4190 -6.0322 -6.0320 -5.0541 -5.0537 -4.9339 -4.9332 -4.6577 -4.6566 -4.5110 -4.5104 -4.4416 -4.4412 -4.3486 -4.3484 -4.3207 -4.3175 -4.1313 -4.1299 -4.1176 -4.1159 -3.4819 -3.4812 -3.2899 -3.2880 -3.2003 -3.1998 -3.1760 -3.1746 -3.0908 -3.0906 -2.9699 -2.9695 0.2878 0.2882 0.4376 0.4378 0.8639 0.8644 4.2004 4.2008 4.4144 4.4152 k = 0.4479 0.3789-0.0000 ( 8362 PWs) bands (ev): -20.0684 -20.0683 -20.0667 -20.0667 -20.0252 -20.0251 -19.2303 -19.2303 -19.2171 -19.2170 -19.1758 -19.1758 -6.7641 -6.7641 -6.4097 -6.4095 -6.0415 -6.0412 -5.0478 -5.0472 -4.9342 -4.9334 -4.6551 -4.6538 -4.5117 -4.5108 -4.4488 -4.4484 -4.3497 -4.3496 -4.3165 -4.3129 -4.1376 -4.1364 -4.1175 -4.1159 -3.4800 -3.4792 -3.2886 -3.2865 -3.2028 -3.2022 -3.1723 -3.1708 -3.0901 -3.0899 -2.9708 -2.9704 0.2956 0.2961 0.4422 0.4423 0.8512 0.8518 4.2012 4.2017 4.4150 4.4161 k = 0.4375 0.3969-0.0000 ( 8360 PWs) bands (ev): -20.0676 -20.0676 -20.0660 -20.0660 -20.0267 -20.0266 -19.2300 -19.2300 -19.2176 -19.2175 -19.1755 -19.1755 -6.7670 -6.7670 -6.3986 -6.3984 -6.0526 -6.0522 -5.0405 -5.0398 -4.9347 -4.9338 -4.6518 -4.6502 -4.5125 -4.5115 -4.4568 -4.4565 -4.3510 -4.3509 -4.3116 -4.3078 -4.1457 -4.1446 -4.1167 -4.1152 -3.4780 -3.4771 -3.2868 -3.2845 -3.2057 -3.2050 -3.1681 -3.1665 -3.0895 -3.0893 -2.9719 -2.9714 0.3050 0.3056 0.4477 0.4478 0.8358 0.8365 4.2021 4.2027 4.4159 4.4172 k = 0.4271 0.4150-0.0000 ( 8344 PWs) bands (ev): -20.0668 -20.0667 -20.0652 -20.0651 -20.0284 -20.0284 -19.2296 -19.2296 -19.2182 -19.2181 -19.1753 -19.1753 -6.7700 -6.7700 -6.3860 -6.3857 -6.0652 -6.0649 -5.0324 -5.0317 -4.9354 -4.9343 -4.6476 -4.6458 -4.5137 -4.5125 -4.4656 -4.4653 -4.3526 -4.3523 -4.3062 -4.3023 -4.1550 -4.1539 -4.1155 -4.1141 -3.4760 -3.4751 -3.2845 -3.2821 -3.2089 -3.2082 -3.1633 -3.1616 -3.0891 -3.0889 -2.9731 -2.9725 0.3161 0.3168 0.4541 0.4543 0.8179 0.8186 4.2031 4.2037 4.4172 4.4185 k = 0.4167 0.4330-0.0000 ( 8344 PWs) bands (ev): -20.0658 -20.0657 -20.0643 -20.0642 -20.0304 -20.0303 -19.2292 -19.2292 -19.2188 -19.2187 -19.1750 -19.1750 -6.7731 -6.7730 -6.3719 -6.3716 -6.0794 -6.0790 -5.0238 -5.0230 -4.9362 -4.9351 -4.6425 -4.6406 -4.5153 -4.5138 -4.4748 -4.4747 -4.3542 -4.3537 -4.3006 -4.2965 -4.1651 -4.1640 -4.1142 -4.1129 -3.4741 -3.4733 -3.2817 -3.2793 -3.2124 -3.2116 -3.1581 -3.1564 -3.0890 -3.0888 -2.9742 -2.9736 0.3288 0.3296 0.4614 0.4615 0.7975 0.7983 4.2041 4.2048 4.4187 4.4203 k = 0.4062 0.4511-0.0000 ( 8340 PWs) bands (ev): -20.0647 -20.0646 -20.0632 -20.0632 -20.0326 -20.0326 -19.2287 -19.2287 -19.2195 -19.2194 -19.1748 -19.1748 -6.7760 -6.7760 -6.3566 -6.3563 -6.0948 -6.0944 -5.0150 -5.0141 -4.9374 -4.9362 -4.6365 -4.6344 -4.5173 -4.5155 -4.4845 -4.4844 -4.3556 -4.3550 -4.2946 -4.2905 -4.1758 -4.1746 -4.1129 -4.1116 -3.4725 -3.4717 -3.2783 -3.2761 -3.2161 -3.2153 -3.1525 -3.1509 -3.0894 -3.0891 -2.9753 -2.9747 0.3430 0.3438 0.4694 0.4696 0.7748 0.7757 4.2051 4.2058 4.4208 4.4224 k = 0.3958 0.4691-0.0000 ( 8332 PWs) bands (ev): -20.0634 -20.0634 -20.0621 -20.0620 -20.0351 -20.0350 -19.2282 -19.2282 -19.2202 -19.2201 -19.1745 -19.1745 -6.7787 -6.7787 -6.3401 -6.3398 -6.1113 -6.1109 -5.0061 -5.0052 -4.9390 -4.9376 -4.6294 -4.6272 -4.5199 -4.5177 -4.4945 -4.4942 -4.3569 -4.3562 -4.2883 -4.2842 -4.1867 -4.1854 -4.1116 -4.1105 -3.4711 -3.4704 -3.2745 -3.2724 -3.2200 -3.2193 -3.1467 -3.1452 -3.0903 -3.0900 -2.9762 -2.9757 0.3587 0.3596 0.4780 0.4781 0.7501 0.7510 4.2061 4.2067 4.4233 4.4250 k = 0.3854 0.4871-0.0000 ( 8338 PWs) bands (ev): -20.0621 -20.0621 -20.0608 -20.0608 -20.0377 -20.0376 -19.2277 -19.2276 -19.2209 -19.2208 -19.1743 -19.1743 -6.7812 -6.7812 -6.3228 -6.3224 -6.1288 -6.1283 -4.9974 -4.9964 -4.9410 -4.9396 -4.6213 -4.6190 -4.5230 -4.5203 -4.5046 -4.5040 -4.3580 -4.3572 -4.2818 -4.2778 -4.1977 -4.1962 -4.1105 -4.1094 -3.4700 -3.4694 -3.2702 -3.2685 -3.2240 -3.2233 -3.1407 -3.1394 -3.0919 -3.0916 -2.9770 -2.9765 0.3758 0.3768 0.4868 0.4868 0.7238 0.7248 4.2069 4.2075 4.4263 4.4280 k = 0.3750 0.5052-0.0000 ( 8322 PWs) bands (ev): -20.0607 -20.0606 -20.0595 -20.0594 -20.0406 -20.0405 -19.2271 -19.2270 -19.2216 -19.2215 -19.1741 -19.1741 -6.7833 -6.7833 -6.3046 -6.3042 -6.1471 -6.1467 -4.9890 -4.9879 -4.9436 -4.9421 -4.6122 -4.6099 -4.5269 -4.5234 -4.5144 -4.5134 -4.3587 -4.3580 -4.2751 -4.2711 -4.2085 -4.2067 -4.1095 -4.1086 -3.4692 -3.4687 -3.2657 -3.2643 -3.2281 -3.2275 -3.1346 -3.1336 -3.0941 -3.0938 -2.9777 -2.9772 0.3942 0.3953 0.4951 0.4952 0.6967 0.6977 4.2077 4.2082 4.4299 4.4316 k = 0.3646 0.5232-0.0000 ( 8324 PWs) bands (ev): -20.0592 -20.0591 -20.0580 -20.0580 -20.0436 -20.0435 -19.2265 -19.2264 -19.2224 -19.2223 -19.1739 -19.1739 -6.7850 -6.7850 -6.2857 -6.2853 -6.1661 -6.1656 -4.9811 -4.9799 -4.9467 -4.9452 -4.6023 -4.6001 -4.5319 -4.5272 -4.5236 -4.5218 -4.3591 -4.3584 -4.2681 -4.2643 -4.2189 -4.2167 -4.1087 -4.1079 -3.4687 -3.4683 -3.2610 -3.2600 -3.2322 -3.2318 -3.1286 -3.1278 -3.0970 -3.0967 -2.9781 -2.9778 0.4140 0.4150 0.5016 0.5019 0.6702 0.6710 4.2083 4.2087 4.4341 4.4358 k = 0.3542 0.5413-0.0000 ( 8326 PWs) bands (ev): -20.0575 -20.0575 -20.0565 -20.0564 -20.0468 -20.0467 -19.2259 -19.2258 -19.2231 -19.2230 -19.1738 -19.1738 -6.7863 -6.7863 -6.2662 -6.2658 -6.1857 -6.1852 -4.9737 -4.9725 -4.9506 -4.9491 -4.5922 -4.5903 -4.5380 -4.5333 -4.5296 -4.5286 -4.3592 -4.3587 -4.2610 -4.2575 -4.2288 -4.2261 -4.1081 -4.1075 -3.4683 -3.4681 -3.2563 -3.2558 -3.2364 -3.2360 -3.1227 -3.1221 -3.1007 -3.1002 -2.9783 -2.9781 0.4349 0.4360 0.5039 0.5045 0.6467 0.6473 4.2087 4.2090 4.4389 4.4405 k = 0.3438 0.5593-0.0000 ( 8334 PWs) bands (ev): -20.0558 -20.0558 -20.0549 -20.0548 -20.0501 -20.0500 -19.2253 -19.2252 -19.2238 -19.2237 -19.1737 -19.1737 -6.7871 -6.7870 -6.2463 -6.2458 -6.2057 -6.2052 -4.9669 -4.9657 -4.9552 -4.9537 -4.5833 -4.5822 -4.5436 -4.5386 -4.5337 -4.5337 -4.3590 -4.3587 -4.2537 -4.2507 -4.2380 -4.2345 -4.1077 -4.1074 -3.4681 -3.4680 -3.2519 -3.2518 -3.2402 -3.2401 -3.1172 -3.1169 -3.1048 -3.1043 -2.9784 -2.9783 0.4569 0.4580 0.4978 0.4989 0.6306 0.6309 4.2090 4.2092 4.4453 4.4458 k = 0.3333 0.5774-0.0000 ( 8340 PWs) bands (ev): -20.0543 -20.0541 -20.0538 -20.0538 -20.0527 -20.0527 -19.2248 -19.2248 -19.2243 -19.2241 -19.1737 -19.1737 -6.7873 -6.7873 -6.2261 -6.2259 -6.2259 -6.2252 -4.9609 -4.9605 -4.9605 -4.9583 -4.5791 -4.5791 -4.5455 -4.5391 -4.5367 -4.5367 -4.3588 -4.3588 -4.2465 -4.2460 -4.2460 -4.2397 -4.1074 -4.1074 -3.4681 -3.4681 -3.2498 -3.2493 -3.2423 -3.2423 -3.1139 -3.1139 -3.1076 -3.1070 -2.9784 -2.9784 0.4785 0.4785 0.4814 0.4839 0.6253 0.6253 4.2092 4.2092 4.4500 4.4507 k = 0.3333 0.5774-0.0000 ( 8340 PWs) bands (ev): -20.0543 -20.0541 -20.0538 -20.0538 -20.0527 -20.0527 -19.2248 -19.2248 -19.2243 -19.2241 -19.1737 -19.1737 -6.7873 -6.7873 -6.2261 -6.2259 -6.2259 -6.2252 -4.9609 -4.9605 -4.9605 -4.9583 -4.5791 -4.5791 -4.5455 -4.5391 -4.5367 -4.5367 -4.3588 -4.3588 -4.2465 -4.2460 -4.2460 -4.2397 -4.1074 -4.1074 -3.4681 -3.4681 -3.2498 -3.2493 -3.2423 -3.2423 -3.1139 -3.1139 -3.1076 -3.1070 -2.9784 -2.9784 0.4785 0.4785 0.4814 0.4839 0.6253 0.6253 4.2092 4.2092 4.4500 4.4505 k = 0.3226 0.5587-0.0000 ( 8324 PWs) bands (ev): -20.0574 -20.0573 -20.0521 -20.0520 -20.0513 -20.0512 -19.2253 -19.2252 -19.2238 -19.2236 -19.1737 -19.1737 -6.7870 -6.7870 -6.2472 -6.2467 -6.2048 -6.2043 -4.9672 -4.9661 -4.9549 -4.9535 -4.5827 -4.5823 -4.5466 -4.5420 -4.5321 -4.5293 -4.3591 -4.3588 -4.2534 -4.2500 -4.2384 -4.2348 -4.1077 -4.1073 -3.4681 -3.4680 -3.2521 -3.2519 -3.2404 -3.2397 -3.1175 -3.1173 -3.1045 -3.1038 -2.9785 -2.9783 0.4504 0.4518 0.5048 0.5062 0.6299 0.6300 4.2090 4.2092 4.4436 4.4446 k = 0.3118 0.5401-0.0000 ( 8312 PWs) bands (ev): -20.0612 -20.0611 -20.0502 -20.0501 -20.0495 -20.0494 -19.2259 -19.2258 -19.2231 -19.2230 -19.1738 -19.1738 -6.7862 -6.7862 -6.2685 -6.2680 -6.1834 -6.1829 -4.9746 -4.9736 -4.9496 -4.9483 -4.5900 -4.5897 -4.5501 -4.5457 -4.5198 -4.5162 -4.3599 -4.3594 -4.2589 -4.2546 -4.2306 -4.2277 -4.1081 -4.1072 -3.4682 -3.4679 -3.2563 -3.2562 -3.2369 -3.2354 -3.1237 -3.1234 -3.0999 -3.0989 -2.9785 -2.9782 0.4133 0.4148 0.5305 0.5318 0.6414 0.6416 4.2088 4.2091 4.4361 4.4370 k = 0.3011 0.5215-0.0000 ( 8304 PWs) bands (ev): -20.0651 -20.0650 -20.0482 -20.0481 -20.0475 -20.0474 -19.2264 -19.2263 -19.2224 -19.2223 -19.1740 -19.1740 -6.7847 -6.7847 -6.2899 -6.2894 -6.1621 -6.1615 -4.9828 -4.9819 -4.9449 -4.9436 -4.5987 -4.5984 -4.5541 -4.5492 -4.5047 -4.5010 -4.3615 -4.3608 -4.2625 -4.2575 -4.2229 -4.2207 -4.1086 -4.1070 -3.4682 -3.4678 -3.2612 -3.2608 -3.2332 -3.2311 -3.1305 -3.1302 -3.0953 -3.0939 -2.9786 -2.9782 0.3715 0.3731 0.5570 0.5583 0.6570 0.6571 4.2084 4.2089 4.4280 4.4286 k = 0.2903 0.5029-0.0000 ( 8308 PWs) bands (ev): -20.0691 -20.0690 -20.0461 -20.0460 -20.0455 -20.0454 -19.2269 -19.2268 -19.2217 -19.2216 -19.1742 -19.1742 -6.7828 -6.7827 -6.3112 -6.3107 -6.1408 -6.1403 -4.9918 -4.9911 -4.9406 -4.9394 -4.6077 -4.6076 -4.5579 -4.5525 -4.4885 -4.4847 -4.3639 -4.3633 -4.2638 -4.2583 -4.2155 -4.2140 -4.1089 -4.1066 -3.4680 -3.4675 -3.2663 -3.2656 -3.2298 -3.2270 -3.1378 -3.1376 -3.0911 -3.0892 -2.9788 -2.9783 0.3265 0.3282 0.5841 0.5854 0.6751 0.6752 4.2081 4.2087 4.4191 4.4194 k = 0.2796 0.4842-0.0000 ( 8308 PWs) bands (ev): -20.0731 -20.0730 -20.0440 -20.0439 -20.0435 -20.0434 -19.2274 -19.2273 -19.2211 -19.2209 -19.1745 -19.1745 -6.7802 -6.7802 -6.3323 -6.3319 -6.1198 -6.1192 -5.0014 -5.0008 -4.9366 -4.9355 -4.6167 -4.6166 -4.5617 -4.5556 -4.4717 -4.4679 -4.3673 -4.3669 -4.2627 -4.2570 -4.2085 -4.2080 -4.1089 -4.1057 -3.4677 -3.4670 -3.2715 -3.2706 -3.2266 -3.2232 -3.1453 -3.1452 -3.0871 -3.0848 -2.9791 -2.9786 0.2794 0.2810 0.6118 0.6131 0.6949 0.6950 4.2077 4.2085 4.4095 4.4095 k = 0.2688 0.4656-0.0000 ( 8308 PWs) bands (ev): -20.0772 -20.0770 -20.0419 -20.0418 -20.0415 -20.0414 -19.2278 -19.2276 -19.2204 -19.2203 -19.1749 -19.1749 -6.7771 -6.7771 -6.3533 -6.3529 -6.0991 -6.0985 -5.0114 -5.0111 -4.9328 -4.9319 -4.6255 -4.6252 -4.5655 -4.5587 -4.4547 -4.4510 -4.3716 -4.3715 -4.2594 -4.2537 -4.2028 -4.2021 -4.1084 -4.1041 -3.4671 -3.4663 -3.2769 -3.2757 -3.2238 -3.2198 -3.1530 -3.1530 -3.0835 -3.0808 -2.9797 -2.9791 0.2306 0.2322 0.6400 0.6413 0.7160 0.7160 4.2074 4.2083 4.3991 4.3994 k = 0.2581 0.4470-0.0000 ( 8312 PWs) bands (ev): -20.0813 -20.0811 -20.0398 -20.0397 -20.0394 -20.0393 -19.2280 -19.2279 -19.2197 -19.2196 -19.1754 -19.1754 -6.7735 -6.7734 -6.3740 -6.3736 -6.0789 -6.0783 -5.0217 -5.0216 -4.9293 -4.9285 -4.6339 -4.6334 -4.5695 -4.5619 -4.4378 -4.4342 -4.3771 -4.3763 -4.2540 -4.2484 -4.1987 -4.1968 -4.1070 -4.1014 -3.4663 -3.4654 -3.2824 -3.2809 -3.2214 -3.2167 -3.1609 -3.1608 -3.0803 -3.0771 -2.9805 -2.9798 0.1805 0.1821 0.6686 0.6698 0.7381 0.7381 4.2071 4.2082 4.3882 4.3888 k = 0.2473 0.4284-0.0000 ( 8304 PWs) bands (ev): -20.0853 -20.0852 -20.0376 -20.0375 -20.0373 -20.0372 -19.2282 -19.2281 -19.2191 -19.2190 -19.1760 -19.1760 -6.7694 -6.7693 -6.3943 -6.3939 -6.0593 -6.0587 -5.0321 -5.0320 -4.9259 -4.9252 -4.6419 -4.6411 -4.5738 -4.5656 -4.4213 -4.4179 -4.3829 -4.3813 -4.2469 -4.2416 -4.1959 -4.1927 -4.1045 -4.0976 -3.4651 -3.4642 -3.2880 -3.2863 -3.2193 -3.2141 -3.1687 -3.1684 -3.0773 -3.0737 -2.9816 -2.9808 0.1295 0.1311 0.6974 0.6986 0.7608 0.7609 4.2069 4.2082 4.3770 4.3778 k = 0.2366 0.4097-0.0000 ( 8312 PWs) bands (ev): -20.0894 -20.0892 -20.0355 -20.0354 -20.0352 -20.0351 -19.2284 -19.2282 -19.2185 -19.2184 -19.1767 -19.1766 -6.7648 -6.7647 -6.4142 -6.4138 -6.0405 -6.0398 -5.0424 -5.0421 -4.9226 -4.9221 -4.6492 -4.6482 -4.5788 -4.5698 -4.4054 -4.4023 -4.3885 -4.3863 -4.2382 -4.2333 -4.1944 -4.1899 -4.1007 -4.0925 -3.4637 -3.4626 -3.2938 -3.2919 -3.2177 -3.2118 -3.1764 -3.1759 -3.0747 -3.0707 -2.9829 -2.9821 0.0778 0.0794 0.7262 0.7274 0.7841 0.7843 4.2068 4.2082 4.3655 4.3665 k = 0.2258 0.3911-0.0000 ( 8300 PWs) bands (ev): -20.0934 -20.0932 -20.0334 -20.0333 -20.0331 -20.0330 -19.2284 -19.2282 -19.2179 -19.2178 -19.1774 -19.1774 -6.7598 -6.7597 -6.4336 -6.4333 -6.0224 -6.0218 -5.0523 -5.0518 -4.9194 -4.9191 -4.6559 -4.6547 -4.5845 -4.5749 -4.3953 -4.3932 -4.3882 -4.3863 -4.2282 -4.2239 -4.1939 -4.1885 -4.0955 -4.0864 -3.4618 -3.4606 -3.2997 -3.2975 -3.2165 -3.2101 -3.1838 -3.1832 -3.0724 -3.0679 -2.9846 -2.9838 0.0258 0.0274 0.7551 0.7562 0.8078 0.8080 4.2068 4.2083 4.3538 4.3551 k = 0.2151 0.3725-0.0000 ( 8308 PWs) bands (ev): -20.0973 -20.0972 -20.0313 -20.0312 -20.0310 -20.0309 -19.2283 -19.2281 -19.2173 -19.2172 -19.1782 -19.1782 -6.7544 -6.7543 -6.4525 -6.4522 -6.0054 -6.0047 -5.0615 -5.0608 -4.9162 -4.9162 -4.6619 -4.6603 -4.5913 -4.5811 -4.4000 -4.3964 -4.3754 -4.3730 -4.2172 -4.2139 -4.1938 -4.1881 -4.0891 -4.0792 -3.4596 -3.4583 -3.3057 -3.3034 -3.2158 -3.2088 -3.1908 -3.1901 -3.0702 -3.0655 -2.9866 -2.9857 -0.0263 -0.0248 0.7839 0.7849 0.8316 0.8319 4.2070 4.2085 4.3421 4.3436 k = 0.2043 0.3539-0.0000 ( 8300 PWs) bands (ev): -20.1012 -20.1011 -20.0292 -20.0292 -20.0289 -20.0289 -19.2281 -19.2280 -19.2168 -19.2167 -19.1791 -19.1791 -6.7486 -6.7486 -6.4709 -6.4705 -5.9894 -5.9887 -5.0698 -5.0689 -4.9134 -4.9132 -4.6670 -4.6652 -4.5992 -4.5887 -4.4046 -4.4003 -4.3626 -4.3606 -4.2051 -4.2050 -4.1923 -4.1883 -4.0819 -4.0714 -3.4570 -3.4556 -3.3117 -3.3093 -3.2155 -3.2080 -3.1974 -3.1966 -3.0683 -3.0632 -2.9888 -2.9880 -0.0783 -0.0768 0.8124 0.8134 0.8556 0.8559 4.2071 4.2087 4.3305 4.3321 k = 0.1935 0.3352-0.0000 ( 8300 PWs) bands (ev): -20.1050 -20.1049 -20.0272 -20.0272 -20.0269 -20.0269 -19.2279 -19.2277 -19.2162 -19.2161 -19.1801 -19.1800 -6.7426 -6.7426 -6.4886 -6.4883 -5.9746 -5.9739 -5.0769 -5.0758 -4.9107 -4.9102 -4.6713 -4.6691 -4.6084 -4.5976 -4.4084 -4.4038 -4.3514 -4.3500 -4.2013 -4.1927 -4.1882 -4.1846 -4.0741 -4.0631 -3.4540 -3.4524 -3.3177 -3.3152 -3.2157 -3.2079 -3.2034 -3.2024 -3.0666 -3.0612 -2.9914 -2.9906 -0.1299 -0.1285 0.8405 0.8414 0.8794 0.8798 4.2074 4.2090 4.3191 4.3208 k = 0.1828 0.3166-0.0000 ( 8310 PWs) bands (ev): -20.1086 -20.1085 -20.0253 -20.0252 -20.0250 -20.0250 -19.2275 -19.2274 -19.2158 -19.2157 -19.1811 -19.1811 -6.7363 -6.7363 -6.5056 -6.5053 -5.9610 -5.9604 -5.0827 -5.0813 -4.9082 -4.9075 -4.6746 -4.6720 -4.6188 -4.6080 -4.4116 -4.4067 -4.3422 -4.3415 -4.2009 -4.1891 -4.1783 -4.1726 -4.0659 -4.0547 -3.4505 -3.4489 -3.3237 -3.3211 -3.2166 -3.2098 -3.2087 -3.2063 -3.0649 -3.0594 -2.9942 -2.9934 -0.1809 -0.1795 0.8681 0.8689 0.9030 0.9035 4.2077 4.2093 4.3079 4.3097 k = 0.1720 0.2980-0.0000 ( 8302 PWs) bands (ev): -20.1122 -20.1121 -20.0234 -20.0233 -20.0231 -20.0231 -19.2271 -19.2269 -19.2153 -19.2152 -19.1823 -19.1822 -6.7299 -6.7298 -6.5218 -6.5216 -5.9489 -5.9482 -5.0869 -5.0854 -4.9059 -4.9049 -4.6768 -4.6739 -4.6305 -4.6198 -4.4141 -4.4091 -4.3354 -4.3353 -4.2003 -4.1881 -4.1643 -4.1592 -4.0578 -4.0463 -3.4467 -3.4449 -3.3295 -3.3270 -3.2186 -3.2143 -3.2128 -3.2075 -3.0634 -3.0577 -2.9973 -2.9965 -0.2310 -0.2296 0.8950 0.8958 0.9263 0.9268 4.2079 4.2096 4.2970 4.2989 k = 0.1613 0.2794-0.0000 ( 8290 PWs) bands (ev): -20.1156 -20.1155 -20.0215 -20.0215 -20.0212 -20.0212 -19.2265 -19.2263 -19.2149 -19.2148 -19.1835 -19.1834 -6.7233 -6.7233 -6.5374 -6.5371 -5.9381 -5.9375 -5.0895 -5.0877 -4.9038 -4.9026 -4.6781 -4.6747 -4.6433 -4.6330 -4.4161 -4.4110 -4.3319 -4.3314 -4.1985 -4.1860 -4.1499 -4.1453 -4.0498 -4.0382 -3.4424 -3.4405 -3.3351 -3.3326 -3.2219 -3.2190 -3.2156 -3.2087 -3.0619 -3.0561 -3.0007 -2.9999 -0.2799 -0.2786 0.9212 0.9219 0.9490 0.9495 4.2082 4.2098 4.2865 4.2885 k = 0.1505 0.2607-0.0000 ( 8300 PWs) bands (ev): -20.1189 -20.1187 -20.0198 -20.0198 -20.0195 -20.0195 -19.2259 -19.2257 -19.2145 -19.2144 -19.1847 -19.1847 -6.7167 -6.7166 -6.5521 -6.5518 -5.9287 -5.9281 -5.0903 -5.0883 -4.9019 -4.9006 -4.6786 -4.6744 -4.6570 -4.6474 -4.4175 -4.4126 -4.3312 -4.3302 -4.1952 -4.1824 -4.1352 -4.1310 -4.0422 -4.0305 -3.4378 -3.4358 -3.3404 -3.3379 -3.2258 -3.2234 -3.2178 -3.2102 -3.0604 -3.0546 -3.0042 -3.0034 -0.3274 -0.3262 0.9465 0.9471 0.9711 0.9717 4.2084 4.2100 4.2765 4.2785 k = 0.1398 0.2421-0.0000 ( 8296 PWs) bands (ev): -20.1219 -20.1218 -20.0181 -20.0181 -20.0178 -20.0178 -19.2251 -19.2249 -19.2141 -19.2140 -19.1860 -19.1860 -6.7100 -6.7100 -6.5659 -6.5657 -5.9207 -5.9201 -5.0892 -5.0870 -4.9004 -4.8989 -4.6803 -4.6731 -4.6693 -4.6629 -4.4186 -4.4138 -4.3330 -4.3318 -4.1903 -4.1775 -4.1205 -4.1166 -4.0351 -4.0235 -3.4328 -3.4307 -3.3453 -3.3429 -3.2295 -3.2273 -3.2200 -3.2122 -3.0589 -3.0532 -3.0078 -3.0071 -0.3732 -0.3721 0.9707 0.9713 0.9924 0.9930 4.2085 4.2100 4.2671 4.2690 k = 0.1290 0.2235-0.0000 ( 8304 PWs) bands (ev): -20.1249 -20.1248 -20.0165 -20.0165 -20.0162 -20.0162 -19.2243 -19.2241 -19.2138 -19.2137 -19.1874 -19.1873 -6.7035 -6.7034 -6.5789 -6.5787 -5.9140 -5.9135 -5.0862 -5.0838 -4.8991 -4.8975 -4.6916 -4.6799 -4.6718 -4.6701 -4.4194 -4.4149 -4.3371 -4.3358 -4.1841 -4.1713 -4.1059 -4.1023 -4.0287 -4.0171 -3.4275 -3.4253 -3.3497 -3.3475 -3.2330 -3.2310 -3.2224 -3.2146 -3.0573 -3.0518 -3.0115 -3.0109 -0.4171 -0.4161 0.9938 0.9943 1.0127 1.0134 4.2085 4.2100 4.2582 4.2601 k = 0.1183 0.2049-0.0000 ( 8296 PWs) bands (ev): -20.1276 -20.1275 -20.0150 -20.0150 -20.0148 -20.0148 -19.2234 -19.2232 -19.2135 -19.2134 -19.1888 -19.1888 -6.6971 -6.6970 -6.5910 -6.5908 -5.9087 -5.9082 -5.0813 -5.0787 -4.8981 -4.8965 -4.7079 -4.6973 -4.6691 -4.6667 -4.4200 -4.4157 -4.3431 -4.3418 -4.1769 -4.1644 -4.0917 -4.0882 -4.0229 -4.0116 -3.4219 -3.4197 -3.3537 -3.3516 -3.2363 -3.2342 -3.2250 -3.2173 -3.0557 -3.0505 -3.0153 -3.0147 -0.4588 -0.4578 1.0156 1.0159 1.0321 1.0327 4.2085 4.2099 4.2499 4.2517 k = 0.1075 0.1862-0.0000 ( 8294 PWs) bands (ev): -20.1301 -20.1300 -20.0136 -20.0136 -20.0134 -20.0134 -19.2224 -19.2222 -19.2132 -19.2131 -19.1903 -19.1902 -6.6909 -6.6909 -6.6021 -6.6019 -5.9045 -5.9040 -5.0746 -5.0717 -4.8974 -4.8958 -4.7254 -4.7155 -4.6648 -4.6621 -4.4204 -4.4165 -4.3505 -4.3492 -4.1690 -4.1569 -4.0779 -4.0747 -4.0180 -4.0069 -3.4162 -3.4139 -3.3571 -3.3552 -3.2392 -3.2372 -3.2278 -3.2204 -3.0541 -3.0492 -3.0190 -3.0185 -0.4980 -0.4971 1.0359 1.0362 1.0502 1.0509 4.2083 4.2096 4.2422 4.2440 k = 0.0968 0.1676-0.0000 ( 8296 PWs) bands (ev): -20.1324 -20.1323 -20.0123 -20.0123 -20.0121 -20.0121 -19.2213 -19.2211 -19.2130 -19.2129 -19.1918 -19.1917 -6.6850 -6.6850 -6.6122 -6.6121 -5.9013 -5.9009 -5.0661 -5.0630 -4.8970 -4.8953 -4.7438 -4.7344 -4.6594 -4.6567 -4.4207 -4.4171 -4.3589 -4.3577 -4.1608 -4.1493 -4.0649 -4.0618 -4.0138 -4.0031 -3.4103 -3.4081 -3.3600 -3.3582 -3.2419 -3.2398 -3.2308 -3.2239 -3.0525 -3.0479 -3.0227 -3.0222 -0.5344 -0.5336 1.0546 1.0549 1.0672 1.0678 4.2080 4.2092 4.2352 4.2369 k = 0.0860 0.1490-0.0000 ( 8297 PWs) bands (ev): -20.1345 -20.1344 -20.0112 -20.0112 -20.0110 -20.0110 -19.2202 -19.2200 -19.2127 -19.2127 -19.1933 -19.1932 -6.6795 -6.6795 -6.6214 -6.6212 -5.8991 -5.8987 -5.0560 -5.0526 -4.8967 -4.8951 -4.7627 -4.7538 -4.6533 -4.6506 -4.4209 -4.4177 -4.3680 -4.3669 -4.1526 -4.1417 -4.0527 -4.0498 -4.0103 -4.0003 -3.4044 -3.4023 -3.3624 -3.3606 -3.2444 -3.2422 -3.2338 -3.2275 -3.0508 -3.0467 -3.0262 -3.0257 -0.5679 -0.5671 1.0717 1.0718 1.0827 1.0833 4.2076 4.2087 4.2290 4.2305 k = 0.0753 0.1304-0.0000 ( 8301 PWs) bands (ev): -20.1364 -20.1363 -20.0101 -20.0101 -20.0100 -20.0100 -19.2190 -19.2188 -19.2126 -19.2125 -19.1949 -19.1948 -6.6744 -6.6744 -6.6295 -6.6294 -5.8976 -5.8973 -5.0443 -5.0407 -4.8966 -4.8952 -4.7820 -4.7735 -4.6466 -4.6441 -4.4211 -4.4183 -4.3774 -4.3764 -4.1446 -4.1344 -4.0416 -4.0388 -4.0076 -3.9983 -3.3986 -3.3967 -3.3643 -3.3625 -3.2466 -3.2443 -3.2368 -3.2313 -3.0492 -3.0455 -3.0294 -3.0291 -0.5981 -0.5974 1.0869 1.0870 1.0968 1.0974 4.2071 4.2081 4.2234 4.2248 k = 0.0645 0.1117-0.0000 ( 8305 PWs) bands (ev): -20.1380 -20.1379 -20.0092 -20.0092 -20.0091 -20.0091 -19.2177 -19.2176 -19.2124 -19.2123 -19.1964 -19.1963 -6.6699 -6.6698 -6.6366 -6.6365 -5.8966 -5.8964 -5.0312 -5.0274 -4.8966 -4.8953 -4.8015 -4.7936 -4.6397 -4.6373 -4.4212 -4.4188 -4.3868 -4.3858 -4.1370 -4.1276 -4.0316 -4.0289 -4.0054 -3.9971 -3.3930 -3.3914 -3.3657 -3.3639 -3.2487 -3.2461 -3.2397 -3.2352 -3.0477 -3.0445 -3.0324 -3.0321 -0.6248 -0.6242 1.1002 1.1003 1.1093 1.1099 4.2066 4.2074 4.2186 4.2199 k = 0.0538 0.0931-0.0000 ( 8301 PWs) bands (ev): -20.1394 -20.1393 -20.0085 -20.0085 -20.0083 -20.0083 -19.2165 -19.2163 -19.2123 -19.2122 -19.1979 -19.1978 -6.6659 -6.6659 -6.6426 -6.6425 -5.8962 -5.8959 -5.0169 -5.0129 -4.8967 -4.8956 -4.8212 -4.8137 -4.6327 -4.6306 -4.4213 -4.4193 -4.3958 -4.3949 -4.1299 -4.1216 -4.0231 -4.0203 -4.0036 -3.9966 -3.3878 -3.3865 -3.3667 -3.3649 -3.2506 -3.2477 -3.2423 -3.2389 -3.0462 -3.0436 -3.0350 -3.0349 -0.6478 -0.6473 1.1116 1.1116 1.1201 1.1206 4.2060 4.2067 4.2147 4.2157 k = 0.0430 0.0745-0.0000 ( 8303 PWs) bands (ev): -20.1405 -20.1405 -20.0078 -20.0078 -20.0077 -20.0077 -19.2152 -19.2151 -19.2121 -19.2121 -19.1993 -19.1992 -6.6625 -6.6625 -6.6475 -6.6475 -5.8960 -5.8958 -5.0017 -4.9975 -4.8968 -4.8958 -4.8407 -4.8336 -4.6262 -4.6243 -4.4213 -4.4198 -4.4040 -4.4032 -4.1236 -4.1166 -4.0161 -4.0131 -4.0020 -3.9967 -3.3832 -3.3824 -3.3674 -3.3655 -3.2522 -3.2492 -3.2446 -3.2423 -3.0449 -3.0428 -3.0372 -3.0372 -0.6669 -0.6665 1.1209 1.1209 1.1292 1.1296 4.2054 4.2059 4.2115 4.2123 k = 0.0323 0.0559-0.0000 ( 8307 PWs) bands (ev): -20.1414 -20.1414 -20.0073 -20.0073 -20.0072 -20.0072 -19.2141 -19.2139 -19.2121 -19.2120 -19.2007 -19.2006 -6.6599 -6.6599 -6.6514 -6.6513 -5.8960 -5.8958 -4.9859 -4.9816 -4.8969 -4.8961 -4.8597 -4.8532 -4.6203 -4.6189 -4.4213 -4.4202 -4.4110 -4.4102 -4.1182 -4.1127 -4.0108 -4.0076 -4.0005 -3.9972 -3.3793 -3.3791 -3.3677 -3.3658 -3.2534 -3.2505 -3.2464 -3.2452 -3.0437 -3.0424 -3.0390 -3.0389 -0.6819 -0.6816 1.1281 1.1281 1.1364 1.1367 4.2048 4.2051 4.2093 4.2098 k = 0.0215 0.0372-0.0000 ( 8305 PWs) bands (ev): -20.1421 -20.1420 -20.0069 -20.0069 -20.0069 -20.0069 -19.2130 -19.2129 -19.2120 -19.2120 -19.2018 -19.2017 -6.6579 -6.6579 -6.6541 -6.6541 -5.8960 -5.8959 -4.9701 -4.9659 -4.8970 -4.8964 -4.8774 -4.8717 -4.6157 -4.6147 -4.4213 -4.4207 -4.4163 -4.4156 -4.1139 -4.1100 -4.0071 -4.0039 -3.9990 -3.9977 -3.3767 -3.3765 -3.3676 -3.3660 -3.2543 -3.2518 -3.2477 -3.2473 -3.0429 -3.0422 -3.0404 -3.0400 -0.6927 -0.6925 1.1333 1.1333 1.1416 1.1418 4.2042 4.2043 4.2079 4.2081 k = 0.0108 0.0186-0.0000 ( 8291 PWs) bands (ev): -20.1424 -20.1424 -20.0067 -20.0067 -20.0067 -20.0067 -19.2123 -19.2123 -19.2119 -19.2119 -19.2026 -19.2026 -6.6569 -6.6569 -6.6557 -6.6557 -5.8961 -5.8960 -4.9559 -4.9527 -4.8971 -4.8965 -4.8917 -4.8876 -4.6126 -4.6121 -4.4215 -4.4214 -4.4194 -4.4188 -4.1108 -4.1088 -4.0047 -4.0026 -3.9978 -3.9977 -3.3752 -3.3750 -3.3672 -3.3662 -3.2545 -3.2531 -3.2485 -3.2485 -3.0424 -3.0423 -3.0410 -3.0406 -0.6992 -0.6991 1.1365 1.1365 1.1448 1.1449 4.2036 4.2036 4.2072 4.2073 k = 0.0000 0.0000 0.0000 ( 8273 PWs) bands (ev): -20.1426 -20.1426 -20.0066 -20.0066 -20.0066 -20.0066 -19.2121 -19.2121 -19.2118 -19.2118 -19.2029 -19.2029 -6.6567 -6.6567 -6.6560 -6.6560 -5.8961 -5.8961 -4.9480 -4.9480 -4.8974 -4.8974 -4.8959 -4.8959 -4.6113 -4.6113 -4.4219 -4.4219 -4.4198 -4.4198 -4.1091 -4.1091 -4.0032 -4.0032 -3.9974 -3.9974 -3.3746 -3.3746 -3.3666 -3.3666 -3.2541 -3.2541 -3.2488 -3.2488 -3.0423 -3.0423 -3.0409 -3.0409 -0.7014 -0.7014 1.1375 1.1375 1.1459 1.1459 4.2034 4.2034 4.2070 4.2070 k = 0.0000 0.0000 0.0000 ( 8273 PWs) bands (ev): -20.1426 -20.1426 -20.0066 -20.0066 -20.0066 -20.0066 -19.2121 -19.2121 -19.2118 -19.2118 -19.2029 -19.2029 -6.6567 -6.6567 -6.6560 -6.6560 -5.8961 -5.8961 -4.9480 -4.9480 -4.8974 -4.8974 -4.8959 -4.8959 -4.6113 -4.6113 -4.4219 -4.4219 -4.4198 -4.4198 -4.1091 -4.1091 -4.0032 -4.0032 -3.9974 -3.9974 -3.3746 -3.3746 -3.3666 -3.3666 -3.2541 -3.2541 -3.2488 -3.2488 -3.0423 -3.0423 -3.0409 -3.0409 -0.7014 -0.7014 1.1375 1.1375 1.1459 1.1459 4.2034 4.2034 4.2070 4.2070 k = 0.0000 0.0000 0.0215 ( 8285 PWs) bands (ev): -20.1425 -20.1425 -20.0082 -20.0081 -20.0052 -20.0051 -19.2133 -19.2130 -19.2108 -19.2106 -19.2029 -19.2029 -6.6794 -6.6788 -6.6335 -6.6328 -5.8962 -5.8961 -4.9484 -4.9480 -4.9135 -4.9120 -4.8810 -4.8796 -4.6115 -4.6106 -4.4242 -4.4220 -4.4198 -4.4179 -4.1100 -4.1097 -4.0115 -4.0057 -3.9953 -3.9896 -3.3829 -3.3765 -3.3645 -3.3582 -3.2611 -3.2554 -3.2480 -3.2431 -3.0427 -3.0412 -3.0407 -3.0404 -0.6999 -0.6996 1.1206 1.1292 1.1537 1.1620 4.1998 4.2033 4.2061 4.2096 k = 0.0000 0.0000 0.0430 ( 8285 PWs) bands (ev): -20.1422 -20.1422 -20.0098 -20.0098 -20.0038 -20.0037 -19.2145 -19.2142 -19.2095 -19.2093 -19.2031 -19.2030 -6.7017 -6.7011 -6.6100 -6.6092 -5.8965 -5.8964 -4.9493 -4.9486 -4.9293 -4.9275 -4.8645 -4.8630 -4.6112 -4.6094 -4.4266 -4.4243 -4.4179 -4.4161 -4.1123 -4.1117 -4.0204 -4.0144 -3.9878 -3.9823 -3.3913 -3.3847 -3.3555 -3.3492 -3.2689 -3.2629 -3.2428 -3.2384 -3.0424 -3.0396 -3.0393 -3.0393 -0.6952 -0.6945 1.1029 1.1116 1.1692 1.1773 4.1951 4.1987 4.2078 4.2114 k = 0.0000 0.0000 0.0645 ( 8267 PWs) bands (ev): -20.1418 -20.1418 -20.0116 -20.0115 -20.0025 -20.0024 -19.2156 -19.2153 -19.2082 -19.2080 -19.2032 -19.2031 -6.7235 -6.7229 -6.5861 -6.5853 -5.8970 -5.8968 -4.9507 -4.9505 -4.9448 -4.9416 -4.8478 -4.8463 -4.6104 -4.6078 -4.4292 -4.4268 -4.4162 -4.4145 -4.1160 -4.1153 -4.0297 -4.0236 -3.9809 -3.9754 -3.3997 -3.3929 -3.3460 -3.3398 -3.2773 -3.2712 -3.2386 -3.2347 -3.0413 -3.0377 -3.0376 -3.0366 -0.6872 -0.6862 1.0845 1.0933 1.1841 1.1920 4.1895 4.1931 4.2087 4.2122 k = 0.0000 0.0000 0.0860 ( 8267 PWs) bands (ev): -20.1412 -20.1412 -20.0134 -20.0133 -20.0013 -20.0012 -19.2167 -19.2164 -19.2069 -19.2067 -19.2035 -19.2033 -6.7448 -6.7442 -6.5620 -6.5611 -5.8978 -5.8974 -4.9603 -4.9598 -4.9522 -4.9482 -4.8310 -4.8295 -4.6091 -4.6056 -4.4318 -4.4293 -4.4147 -4.4131 -4.1212 -4.1202 -4.0394 -4.0333 -3.9745 -3.9691 -3.4079 -3.4011 -3.3362 -3.3303 -3.2862 -3.2801 -3.2354 -3.2320 -3.0396 -3.0355 -3.0349 -3.0332 -0.6761 -0.6747 1.0652 1.0742 1.1983 1.2061 4.1829 4.1865 4.2088 4.2122 k = 0.0000 0.0000 0.1074 ( 8285 PWs) bands (ev): -20.1405 -20.1404 -20.0153 -20.0153 -20.0001 -20.0000 -19.2177 -19.2174 -19.2055 -19.2054 -19.2037 -19.2036 -6.7655 -6.7649 -6.5376 -6.5367 -5.8987 -5.8983 -4.9745 -4.9743 -4.9542 -4.9505 -4.8142 -4.8126 -4.6072 -4.6029 -4.4345 -4.4319 -4.4135 -4.4120 -4.1276 -4.1264 -4.0496 -4.0434 -3.9686 -3.9633 -3.4160 -3.4091 -3.3260 -3.3209 -3.2951 -3.2896 -3.2332 -3.2302 -3.0376 -3.0331 -3.0313 -3.0291 -0.6619 -0.6602 1.0451 1.0541 1.2120 1.2195 4.1754 4.1790 4.2081 4.2114 k = 0.0000 0.0000 0.1289 ( 8285 PWs) bands (ev): -20.1395 -20.1395 -20.0173 -20.0173 -19.9990 -19.9989 -19.2187 -19.2184 -19.2042 -19.2042 -19.2039 -19.2039 -6.7856 -6.7851 -6.5130 -6.5121 -5.8998 -5.8993 -4.9886 -4.9882 -4.9567 -4.9526 -4.7973 -4.7957 -4.6048 -4.5997 -4.4372 -4.4346 -4.4125 -4.4111 -4.1352 -4.1339 -4.0602 -4.0539 -3.9632 -3.9581 -3.4240 -3.4170 -3.3155 -3.3146 -3.3010 -3.2995 -3.2317 -3.2292 -3.0352 -3.0305 -3.0269 -3.0243 -0.6446 -0.6426 1.0241 1.0332 1.2251 1.2324 4.1670 4.1706 4.2067 4.2099 k = 0.0000 0.0000 0.1504 ( 8297 PWs) bands (ev): -20.1385 -20.1384 -20.0193 -20.0193 -19.9980 -19.9979 -19.2196 -19.2192 -19.2045 -19.2043 -19.2028 -19.2027 -6.8050 -6.8046 -6.4883 -6.4873 -5.9011 -5.9006 -5.0023 -5.0018 -4.9595 -4.9551 -4.7805 -4.7789 -4.6019 -4.5960 -4.4399 -4.4372 -4.4117 -4.4105 -4.1440 -4.1425 -4.0712 -4.0648 -3.9583 -3.9534 -3.4318 -3.4248 -3.3197 -3.3098 -3.3047 -3.2956 -3.2310 -3.2289 -3.0326 -3.0278 -3.0219 -3.0191 -0.6245 -0.6222 1.0021 1.0112 1.2376 1.2447 4.1580 4.1616 4.2048 4.2079 k = 0.0000 0.0000 0.1719 ( 8297 PWs) bands (ev): -20.1372 -20.1371 -20.0215 -20.0215 -19.9971 -19.9970 -19.2205 -19.2201 -19.2050 -19.2047 -19.2015 -19.2014 -6.8238 -6.8234 -6.4636 -6.4625 -5.9027 -5.9021 -5.0153 -5.0148 -4.9628 -4.9581 -4.7639 -4.7622 -4.5983 -4.5917 -4.4426 -4.4398 -4.4112 -4.4100 -4.1537 -4.1522 -4.0827 -4.0762 -3.9540 -3.9492 -3.4396 -3.4324 -3.3294 -3.3203 -3.2936 -3.2855 -3.2309 -3.2293 -3.0300 -3.0251 -3.0163 -3.0133 -0.6016 -0.5989 0.9791 0.9883 1.2497 1.2565 4.1483 4.1519 4.2023 4.2053 k = 0.0000 0.0000 0.1934 ( 8309 PWs) bands (ev): -20.1358 -20.1357 -20.0238 -20.0238 -19.9962 -19.9961 -19.2213 -19.2208 -19.2055 -19.2052 -19.2002 -19.2001 -6.8419 -6.8415 -6.4388 -6.4376 -5.9045 -5.9038 -5.0277 -5.0273 -4.9665 -4.9615 -4.7473 -4.7457 -4.5942 -4.5869 -4.4452 -4.4423 -4.4109 -4.4098 -4.1644 -4.1628 -4.0945 -4.0879 -3.9502 -3.9456 -3.4471 -3.4398 -3.3399 -3.3310 -3.2823 -3.2744 -3.2312 -3.2300 -3.0274 -3.0225 -3.0103 -3.0072 -0.5760 -0.5731 0.9551 0.9644 1.2611 1.2678 4.1382 4.1419 4.1993 4.2022 k = 0.0000 0.0000 0.2149 ( 8303 PWs) bands (ev): -20.1342 -20.1341 -20.0262 -20.0261 -19.9954 -19.9953 -19.2220 -19.2215 -19.2060 -19.2057 -19.1989 -19.1988 -6.8593 -6.8589 -6.4140 -6.4128 -5.9066 -5.9058 -5.0395 -5.0390 -4.9706 -4.9653 -4.7310 -4.7293 -4.5894 -4.5816 -4.4476 -4.4446 -4.4108 -4.4098 -4.1758 -4.1742 -4.1067 -4.1000 -3.9470 -3.9425 -3.4545 -3.4471 -3.3506 -3.3417 -3.2708 -3.2630 -3.2319 -3.2311 -3.0251 -3.0201 -3.0040 -3.0009 -0.5480 -0.5447 0.9301 0.9394 1.2721 1.2785 4.1278 4.1315 4.1960 4.1987 k = 0.0000 0.0000 0.2364 ( 8291 PWs) bands (ev): -20.1325 -20.1324 -20.0286 -20.0285 -19.9946 -19.9945 -19.2226 -19.2221 -19.2066 -19.2063 -19.1976 -19.1975 -6.8760 -6.8756 -6.3893 -6.3880 -5.9089 -5.9080 -5.0505 -5.0500 -4.9751 -4.9697 -4.7150 -4.7133 -4.5841 -4.5757 -4.4498 -4.4468 -4.4109 -4.4100 -4.1879 -4.1863 -4.1193 -4.1125 -3.9443 -3.9399 -3.4616 -3.4541 -3.3614 -3.3525 -3.2592 -3.2512 -3.2326 -3.2324 -3.0229 -3.0179 -2.9975 -2.9944 -0.5176 -0.5140 0.9039 0.9133 1.2826 1.2887 4.1173 4.1210 4.1923 4.1948 k = 0.0000 0.0000 0.2579 ( 8315 PWs) bands (ev): -20.1307 -20.1305 -20.0311 -20.0311 -19.9939 -19.9938 -19.2231 -19.2226 -19.2073 -19.2069 -19.1963 -19.1963 -6.8918 -6.8915 -6.3648 -6.3635 -5.9115 -5.9106 -5.0608 -5.0603 -4.9801 -4.9745 -4.6993 -4.6975 -4.5781 -4.5692 -4.4518 -4.4488 -4.4112 -4.4104 -4.2006 -4.1991 -4.1322 -4.1253 -3.9421 -3.9379 -3.4685 -3.4608 -3.3721 -3.3632 -3.2480 -3.2393 -3.2338 -3.2330 -3.0210 -3.0160 -2.9910 -2.9878 -0.4850 -0.4812 0.8767 0.8860 1.2926 1.2984 4.1068 4.1106 4.1883 4.1907 k = 0.0000 0.0000 0.2794 ( 8327 PWs) bands (ev): -20.1287 -20.1285 -20.0337 -20.0337 -19.9933 -19.9932 -19.2236 -19.2231 -19.2080 -19.2076 -19.1951 -19.1951 -6.9069 -6.9066 -6.3405 -6.3391 -5.9145 -5.9135 -5.0703 -5.0698 -4.9855 -4.9798 -4.6839 -4.6822 -4.5715 -4.5622 -4.4535 -4.4505 -4.4116 -4.4109 -4.2136 -4.2123 -4.1455 -4.1384 -3.9405 -3.9364 -3.4750 -3.4672 -3.3828 -3.3738 -3.2398 -3.2352 -3.2304 -3.2273 -3.0195 -3.0145 -2.9844 -2.9814 -0.4505 -0.4464 0.8483 0.8576 1.3021 1.3076 4.0965 4.1004 4.1842 4.1864 k = 0.0000 0.0000 0.3008 ( 8327 PWs) bands (ev): -20.1266 -20.1264 -20.0364 -20.0363 -19.9927 -19.9926 -19.2240 -19.2235 -19.2087 -19.2083 -19.1940 -19.1939 -6.9212 -6.9210 -6.3165 -6.3150 -5.9177 -5.9167 -5.0789 -5.0785 -4.9913 -4.9855 -4.6691 -4.6673 -4.5644 -4.5546 -4.4549 -4.4519 -4.4122 -4.4116 -4.2270 -4.2258 -4.1590 -4.1519 -3.9393 -3.9354 -3.4811 -3.4732 -3.3933 -3.3842 -3.2385 -3.2367 -3.2208 -3.2152 -3.0184 -3.0133 -2.9780 -2.9750 -0.4140 -0.4097 0.8187 0.8280 1.3110 1.3163 4.0866 4.0905 4.1799 4.1818 k = 0.0000 0.0000 0.3223 ( 8333 PWs) bands (ev): -20.1243 -20.1241 -20.0392 -20.0391 -19.9922 -19.9921 -19.2243 -19.2238 -19.2095 -19.2090 -19.1929 -19.1928 -6.9347 -6.9344 -6.2928 -6.2913 -5.9214 -5.9202 -5.0867 -5.0862 -4.9975 -4.9918 -4.6547 -4.6529 -4.5566 -4.5464 -4.4560 -4.4529 -4.4129 -4.4123 -4.2406 -4.2395 -4.1729 -4.1656 -3.9385 -3.9349 -3.4868 -3.4788 -3.4036 -3.3945 -3.2391 -3.2381 -3.2092 -3.2031 -3.0177 -3.0126 -2.9717 -2.9688 -0.3760 -0.3713 0.7880 0.7972 1.3195 1.3245 4.0772 4.0812 4.1755 4.1772 k = 0.0000 0.0000 0.3438 ( 8315 PWs) bands (ev): -20.1220 -20.1218 -20.0420 -20.0419 -19.9917 -19.9916 -19.2245 -19.2240 -19.2102 -19.2098 -19.1918 -19.1917 -6.9473 -6.9471 -6.2696 -6.2680 -5.9254 -5.9242 -5.0936 -5.0931 -5.0040 -4.9984 -4.6409 -4.6391 -4.5482 -4.5377 -4.4566 -4.4536 -4.4137 -4.4132 -4.2543 -4.2534 -4.1870 -4.1796 -3.9382 -3.9347 -3.4920 -3.4839 -3.4136 -3.4044 -3.2400 -3.2393 -3.1973 -3.1911 -3.0175 -3.0123 -2.9656 -2.9628 -0.3364 -0.3315 0.7560 0.7653 1.3275 1.3321 4.0684 4.0726 4.1711 4.1725 k = 0.0000 0.0000 0.3653 ( 8315 PWs) bands (ev): -20.1195 -20.1193 -20.0450 -20.0448 -19.9912 -19.9911 -19.2247 -19.2241 -19.2110 -19.2106 -19.1908 -19.1908 -6.9590 -6.9588 -6.2468 -6.2452 -5.9299 -5.9285 -5.0996 -5.0990 -5.0109 -5.0054 -4.6277 -4.6260 -4.5392 -4.5285 -4.4569 -4.4538 -4.4146 -4.4141 -4.2679 -4.2672 -4.2013 -4.1939 -3.9382 -3.9350 -3.4967 -3.4885 -3.4233 -3.4141 -3.2410 -3.2405 -3.1855 -3.1791 -3.0177 -3.0125 -2.9598 -2.9572 -0.2954 -0.2903 0.7229 0.7321 1.3349 1.3393 4.0604 4.0647 4.1666 4.1678 k = 0.0000 0.0000 0.3868 ( 8315 PWs) bands (ev): -20.1169 -20.1167 -20.0479 -20.0478 -19.9908 -19.9907 -19.2247 -19.2241 -19.2119 -19.2114 -19.1899 -19.1898 -6.9699 -6.9697 -6.2246 -6.2229 -5.9348 -5.9334 -5.1046 -5.1040 -5.0180 -5.0127 -4.6152 -4.6136 -4.5298 -4.5188 -4.4566 -4.4536 -4.4155 -4.4150 -4.2814 -4.2809 -4.2158 -4.2083 -3.9386 -3.9356 -3.5009 -3.4925 -3.4327 -3.4234 -3.2418 -3.2415 -3.1737 -3.1674 -3.0185 -3.0133 -2.9543 -2.9519 -0.2533 -0.2479 0.6886 0.6977 1.3419 1.3459 4.0533 4.0578 4.1623 4.1631 k = 0.0000 0.0000 0.4083 ( 8321 PWs) bands (ev): -20.1142 -20.1140 -20.0510 -20.0508 -19.9905 -19.9904 -19.2247 -19.2241 -19.2127 -19.2122 -19.1890 -19.1889 -6.9798 -6.9797 -6.2030 -6.2012 -5.9402 -5.9387 -5.1086 -5.1079 -5.0254 -5.0202 -4.6035 -4.6019 -4.5198 -4.5086 -4.4559 -4.4528 -4.4164 -4.4159 -4.2947 -4.2944 -4.2304 -4.2229 -3.9392 -3.9364 -3.5045 -3.4960 -3.4417 -3.4324 -3.2426 -3.2424 -3.1621 -3.1558 -3.0199 -3.0146 -2.9492 -2.9469 -0.2102 -0.2046 0.6532 0.6622 1.3482 1.3519 4.0473 4.0518 4.1581 4.1584 k = 0.0000 0.0000 0.4298 ( 8303 PWs) bands (ev): -20.1114 -20.1112 -20.0541 -20.0539 -19.9901 -19.9901 -19.2246 -19.2240 -19.2135 -19.2130 -19.1882 -19.1881 -6.9889 -6.9887 -6.1820 -6.1802 -5.9461 -5.9445 -5.1116 -5.1109 -5.0330 -5.0280 -4.5926 -4.5911 -4.5094 -4.4979 -4.4546 -4.4516 -4.4173 -4.4168 -4.3076 -4.3075 -4.2451 -4.2376 -3.9400 -3.9374 -3.5075 -3.4988 -3.4503 -3.4409 -3.2433 -3.2431 -3.1507 -3.1444 -3.0218 -3.0165 -2.9445 -2.9424 -0.1663 -0.1604 0.6166 0.6255 1.3541 1.3574 4.0423 4.0470 4.1537 4.1542 k = 0.0000 0.0000 0.4513 ( 8297 PWs) bands (ev): -20.1085 -20.1083 -20.0572 -20.0570 -19.9899 -19.9898 -19.2244 -19.2238 -19.2144 -19.2138 -19.1874 -19.1874 -6.9970 -6.9969 -6.1618 -6.1599 -5.9526 -5.9510 -5.1137 -5.1128 -5.0406 -5.0360 -4.5826 -4.5812 -4.4986 -4.4869 -4.4527 -4.4497 -4.4182 -4.4177 -4.3202 -4.3200 -4.2599 -4.2524 -3.9409 -3.9386 -3.5098 -3.5011 -3.4584 -3.4490 -3.2438 -3.2437 -3.1396 -3.1334 -3.0243 -3.0189 -2.9401 -2.9382 -0.1216 -0.1155 0.5788 0.5877 1.3594 1.3624 4.0385 4.0434 4.1484 4.1505 k = 0.0000 0.0000 0.4728 ( 8315 PWs) bands (ev): -20.1056 -20.1053 -20.0604 -20.0602 -19.9896 -19.9895 -19.2242 -19.2236 -19.2152 -19.2147 -19.1868 -19.1868 -7.0042 -7.0041 -6.1423 -6.1404 -5.9597 -5.9580 -5.1147 -5.1137 -5.0484 -5.0440 -4.5736 -4.5723 -4.4875 -4.4756 -4.4504 -4.4473 -4.4190 -4.4185 -4.3323 -4.3318 -4.2747 -4.2673 -3.9419 -3.9399 -3.5115 -3.5027 -3.4661 -3.4567 -3.2443 -3.2442 -3.1289 -3.1226 -3.0273 -3.0219 -2.9363 -2.9346 -0.0764 -0.0701 0.5400 0.5488 1.3641 1.3667 4.0360 4.0411 4.1404 4.1471 k = 0.0000 0.0000 0.4943 ( 8302 PWs) bands (ev): -20.1025 -20.1023 -20.0636 -20.0634 -19.9894 -19.9893 -19.2239 -19.2233 -19.2161 -19.2155 -19.1862 -19.1862 -7.0105 -7.0104 -6.1236 -6.1217 -5.9674 -5.9657 -5.1148 -5.1137 -5.0560 -5.0519 -4.5656 -4.5645 -4.4763 -4.4641 -4.4474 -4.4443 -4.4198 -4.4191 -4.3436 -4.3429 -4.2895 -4.2821 -3.9429 -3.9412 -3.5125 -3.5036 -3.4732 -3.4639 -3.2446 -3.2446 -3.1184 -3.1122 -3.0310 -3.0255 -2.9328 -2.9314 -0.0308 -0.0243 0.5002 0.5088 1.3683 1.3705 4.0348 4.0400 4.1275 4.1373 k = 0.0000 0.0000 0.5157 ( 8296 PWs) bands (ev): -20.0994 -20.0992 -20.0669 -20.0667 -19.9892 -19.9892 -19.2235 -19.2229 -19.2169 -19.2163 -19.1857 -19.1857 -7.0158 -7.0157 -6.1058 -6.1038 -5.9759 -5.9741 -5.1139 -5.1126 -5.0636 -5.0598 -4.5588 -4.5577 -4.4651 -4.4527 -4.4438 -4.4407 -4.4205 -4.4196 -4.3540 -4.3531 -4.3040 -4.2968 -3.9439 -3.9424 -3.5128 -3.5038 -3.4799 -3.4705 -3.2449 -3.2449 -3.1084 -3.1023 -3.0352 -3.0297 -2.9299 -2.9287 0.0150 0.0217 0.4594 0.4679 1.3718 1.3737 4.0349 4.0403 4.1131 4.1215 k = 0.0000 0.0000 0.5372 ( 8308 PWs) bands (ev): -20.0963 -20.0961 -20.0702 -20.0699 -19.9891 -19.9890 -19.2230 -19.2224 -19.2177 -19.2171 -19.1853 -19.1853 -7.0201 -7.0201 -6.0888 -6.0868 -5.9851 -5.9832 -5.1121 -5.1107 -5.0710 -5.0674 -4.5530 -4.5522 -4.4545 -4.4418 -4.4398 -4.4364 -4.4211 -4.4199 -4.3630 -4.3620 -4.3183 -4.3113 -3.9447 -3.9435 -3.5125 -3.5034 -3.4860 -3.4766 -3.2451 -3.2451 -3.0988 -3.0927 -3.0401 -3.0344 -2.9275 -2.9265 0.0609 0.0678 0.4177 0.4260 1.3748 1.3763 4.0364 4.0420 4.0994 4.1071 k = 0.0000 0.0000 0.5587 ( 8314 PWs) bands (ev): -20.0931 -20.0929 -20.0734 -20.0732 -19.9890 -19.9889 -19.2225 -19.2219 -19.2185 -19.2179 -19.1850 -19.1850 -7.0235 -7.0235 -6.0727 -6.0707 -5.9951 -5.9932 -5.1094 -5.1078 -5.0780 -5.0748 -4.5485 -4.5478 -4.4448 -4.4353 -4.4324 -4.4318 -4.4216 -4.4198 -4.3698 -4.3689 -4.3322 -4.3255 -3.9454 -3.9445 -3.5115 -3.5023 -3.4915 -3.4821 -3.2453 -3.2452 -3.0896 -3.0836 -3.0455 -3.0398 -2.9255 -2.9248 0.1068 0.1139 0.3751 0.3833 1.3771 1.3782 4.0393 4.0451 4.0867 4.0940 k = 0.0000 0.0000 0.5802 ( 8314 PWs) bands (ev): -20.0899 -20.0896 -20.0767 -20.0765 -19.9889 -19.9888 -19.2220 -19.2214 -19.2193 -19.2187 -19.1848 -19.1848 -7.0260 -7.0259 -6.0576 -6.0556 -6.0058 -6.0039 -5.1059 -5.1040 -5.0847 -5.0818 -4.5451 -4.5447 -4.4368 -4.4305 -4.4275 -4.4263 -4.4219 -4.4188 -4.3730 -4.3728 -4.3453 -4.3392 -3.9459 -3.9453 -3.5098 -3.5006 -3.4964 -3.4870 -3.2454 -3.2453 -3.0810 -3.0750 -3.0515 -3.0457 -2.9241 -2.9236 0.1525 0.1599 0.3318 0.3398 1.3788 1.3796 4.0437 4.0497 4.0753 4.0823 k = 0.0000 0.0000 0.6017 ( 8326 PWs) bands (ev): -20.0866 -20.0864 -20.0801 -20.0798 -19.9888 -19.9888 -19.2214 -19.2208 -19.2200 -19.2194 -19.1847 -19.1847 -7.0274 -7.0274 -6.0433 -6.0413 -6.0174 -6.0155 -5.1016 -5.0995 -5.0909 -5.0883 -4.5431 -4.5429 -4.4306 -4.4259 -4.4253 -4.4241 -4.4220 -4.4184 -4.3722 -4.3706 -4.3570 -4.3519 -3.9461 -3.9458 -3.5074 -3.5007 -3.4981 -3.4914 -3.2454 -3.2454 -3.0728 -3.0669 -3.0580 -3.0522 -2.9232 -2.9229 0.1980 0.2055 0.2877 0.2956 1.3800 1.3803 4.0495 4.0557 4.0653 4.0720 k = 0.0000 0.0000 0.6232 ( 8314 PWs) bands (ev): -20.0833 -20.0833 -20.0831 -20.0831 -19.9888 -19.9888 -19.2207 -19.2207 -19.2201 -19.2201 -19.1846 -19.1846 -7.0279 -7.0279 -6.0299 -6.0299 -6.0280 -6.0280 -5.0966 -5.0966 -5.0942 -5.0942 -4.5423 -4.5423 -4.4265 -4.4265 -4.4237 -4.4237 -4.4203 -4.4203 -4.3665 -4.3665 -4.3629 -4.3629 -3.9461 -3.9461 -3.5044 -3.5044 -3.4951 -3.4951 -3.2454 -3.2454 -3.0651 -3.0651 -3.0593 -3.0593 -2.9228 -2.9228 0.2431 0.2431 0.2508 0.2508 1.3805 1.3805 4.0567 4.0567 4.0631 4.0631 k = 0.0000 0.0000 0.6232 ( 8314 PWs) bands (ev): -20.0833 -20.0833 -20.0831 -20.0831 -19.9888 -19.9888 -19.2207 -19.2207 -19.2201 -19.2201 -19.1846 -19.1846 -7.0279 -7.0279 -6.0299 -6.0299 -6.0280 -6.0280 -5.0966 -5.0966 -5.0942 -5.0942 -4.5423 -4.5423 -4.4265 -4.4265 -4.4237 -4.4237 -4.4203 -4.4203 -4.3665 -4.3665 -4.3629 -4.3629 -3.9461 -3.9461 -3.5044 -3.5044 -3.4951 -3.4951 -3.2454 -3.2454 -3.0651 -3.0651 -3.0593 -3.0593 -2.9228 -2.9228 0.2431 0.2431 0.2508 0.2508 1.3805 1.3805 4.0567 4.0567 4.0631 4.0632 k = 0.0185 0.0107 0.6232 ( 8308 PWs) bands (ev): -20.0833 -20.0833 -20.0831 -20.0831 -19.9889 -19.9889 -19.2207 -19.2207 -19.2201 -19.2201 -19.1846 -19.1846 -7.0272 -7.0272 -6.0307 -6.0307 -6.0287 -6.0287 -5.0959 -5.0958 -5.0935 -5.0935 -4.5451 -4.5437 -4.4391 -4.4375 -4.4272 -4.4237 -4.4120 -4.4086 -4.3653 -4.3641 -4.3607 -4.3584 -3.9472 -3.9470 -3.5035 -3.5035 -3.4945 -3.4940 -3.2455 -3.2453 -3.0656 -3.0652 -3.0595 -3.0595 -2.9232 -2.9229 0.2434 0.2435 0.2512 0.2512 1.3796 1.3797 4.0561 4.0570 4.0630 4.0630 k = 0.0370 0.0214 0.6232 ( 8320 PWs) bands (ev): -20.0832 -20.0832 -20.0829 -20.0829 -19.9891 -19.9891 -19.2207 -19.2206 -19.2200 -19.2200 -19.1848 -19.1848 -7.0251 -7.0251 -6.0333 -6.0330 -6.0311 -6.0309 -5.0940 -5.0938 -5.0914 -5.0913 -4.5516 -4.5492 -4.4546 -4.4523 -4.4318 -4.4266 -4.4037 -4.3988 -4.3616 -4.3576 -4.3510 -4.3484 -3.9504 -3.9499 -3.5013 -3.5012 -3.4920 -3.4909 -3.2456 -3.2452 -3.0665 -3.0657 -3.0602 -3.0602 -2.9241 -2.9235 0.2442 0.2445 0.2524 0.2526 1.3771 1.3774 4.0551 4.0569 4.0624 4.0627 k = 0.0556 0.0321 0.6232 ( 8320 PWs) bands (ev): -20.0831 -20.0831 -20.0826 -20.0826 -19.9895 -19.9895 -19.2206 -19.2206 -19.2200 -19.2199 -19.1849 -19.1849 -7.0217 -7.0217 -6.0378 -6.0372 -6.0347 -6.0341 -5.0910 -5.0906 -5.0878 -5.0874 -4.5615 -4.5585 -4.4698 -4.4669 -4.4368 -4.4304 -4.3992 -4.3935 -4.3536 -4.3484 -4.3367 -4.3345 -3.9553 -3.9546 -3.4981 -3.4979 -3.4872 -3.4857 -3.2456 -3.2450 -3.0679 -3.0666 -3.0614 -3.0613 -2.9255 -2.9246 0.2450 0.2457 0.2548 0.2555 1.3729 1.3734 4.0539 4.0564 4.0614 4.0624 k = 0.0741 0.0428 0.6232 ( 8324 PWs) bands (ev): -20.0830 -20.0830 -20.0822 -20.0822 -19.9901 -19.9901 -19.2205 -19.2204 -19.2199 -19.2198 -19.1852 -19.1852 -7.0169 -7.0168 -6.0442 -6.0434 -6.0393 -6.0385 -5.0871 -5.0864 -5.0827 -5.0820 -4.5742 -4.5711 -4.4844 -4.4807 -4.4412 -4.4344 -4.3976 -4.3921 -4.3421 -4.3371 -4.3203 -4.3183 -3.9619 -3.9610 -3.4944 -3.4939 -3.4800 -3.4782 -3.2456 -3.2448 -3.0698 -3.0680 -3.0631 -3.0629 -2.9274 -2.9262 0.2455 0.2467 0.2589 0.2601 1.3672 1.3678 4.0522 4.0553 4.0600 4.0620 k = 0.0926 0.0535 0.6232 ( 8322 PWs) bands (ev): -20.0828 -20.0828 -20.0816 -20.0816 -19.9908 -19.9908 -19.2204 -19.2203 -19.2197 -19.2197 -19.1855 -19.1855 -7.0107 -7.0107 -6.0526 -6.0515 -6.0447 -6.0437 -5.0824 -5.0815 -5.0761 -5.0752 -4.5890 -4.5862 -4.4979 -4.4934 -4.4450 -4.4382 -4.3980 -4.3929 -4.3290 -4.3246 -4.3028 -4.3010 -3.9699 -3.9686 -3.4901 -3.4894 -3.4708 -3.4687 -3.2455 -3.2445 -3.0723 -3.0699 -3.0652 -3.0648 -2.9298 -2.9282 0.2458 0.2474 0.2648 0.2663 1.3598 1.3606 4.0499 4.0538 4.0583 4.0617 k = 0.1111 0.0642 0.6232 ( 8338 PWs) bands (ev): -20.0826 -20.0826 -20.0809 -20.0809 -19.9917 -19.9917 -19.2202 -19.2201 -19.2196 -19.2195 -19.1859 -19.1859 -7.0032 -7.0032 -6.0627 -6.0616 -6.0509 -6.0498 -5.0769 -5.0759 -5.0683 -5.0671 -4.6054 -4.6029 -4.5101 -4.5049 -4.4484 -4.4417 -4.3996 -4.3949 -4.3153 -4.3115 -4.2850 -4.2834 -3.9788 -3.9772 -3.4852 -3.4843 -3.4599 -3.4576 -3.2454 -3.2442 -3.0752 -3.0723 -3.0677 -3.0671 -2.9326 -2.9308 0.2460 0.2480 0.2723 0.2742 1.3509 1.3518 4.0467 4.0514 4.0568 4.0615 k = 0.1296 0.0748 0.6232 ( 8334 PWs) bands (ev): -20.0824 -20.0824 -20.0801 -20.0801 -19.9928 -19.9927 -19.2201 -19.2198 -19.2194 -19.2192 -19.1864 -19.1863 -6.9943 -6.9943 -6.0747 -6.0735 -6.0577 -6.0565 -5.0709 -5.0697 -5.0594 -5.0580 -4.6228 -4.6205 -4.5210 -4.5152 -4.4513 -4.4450 -4.4021 -4.3977 -4.3016 -4.2983 -4.2672 -4.2657 -3.9884 -3.9866 -3.4797 -3.4785 -3.4478 -3.4452 -3.2453 -3.2438 -3.0786 -3.0752 -3.0706 -3.0698 -2.9360 -2.9338 0.2462 0.2484 0.2813 0.2835 1.3404 1.3414 4.0427 4.0478 4.0559 4.0613 k = 0.1481 0.0855 0.6232 ( 8334 PWs) bands (ev): -20.0822 -20.0822 -20.0791 -20.0791 -19.9939 -19.9939 -19.2199 -19.2196 -19.2192 -19.2189 -19.1869 -19.1869 -6.9842 -6.9842 -6.0884 -6.0871 -6.0650 -6.0637 -5.0645 -5.0631 -5.0496 -5.0481 -4.6407 -4.6386 -4.5304 -4.5241 -4.4540 -4.4482 -4.4053 -4.4010 -4.2881 -4.2852 -4.2497 -4.2482 -3.9984 -3.9963 -3.4734 -3.4720 -3.4348 -3.4319 -3.2452 -3.2434 -3.0826 -3.0786 -3.0739 -3.0727 -2.9397 -2.9373 0.2464 0.2488 0.2918 0.2943 1.3284 1.3295 4.0380 4.0432 4.0554 4.0612 k = 0.1667 0.0962 0.6232 ( 8318 PWs) bands (ev): -20.0819 -20.0819 -20.0781 -20.0780 -19.9953 -19.9952 -19.2197 -19.2194 -19.2189 -19.2186 -19.1875 -19.1874 -6.9728 -6.9727 -6.1038 -6.1025 -6.0726 -6.0714 -5.0578 -5.0564 -5.0393 -5.0376 -4.6586 -4.6565 -4.5383 -4.5316 -4.4564 -4.4513 -4.4090 -4.4048 -4.2752 -4.2725 -4.2326 -4.2312 -4.0086 -4.0060 -3.4666 -3.4650 -3.4212 -3.4180 -3.2450 -3.2430 -3.0871 -3.0826 -3.0773 -3.0759 -2.9439 -2.9412 0.2466 0.2491 0.3039 0.3066 1.3148 1.3161 4.0327 4.0378 4.0552 4.0611 k = 0.1852 0.1069 0.6232 ( 8302 PWs) bands (ev): -20.0817 -20.0816 -20.0769 -20.0769 -19.9967 -19.9967 -19.2195 -19.2191 -19.2186 -19.2182 -19.1881 -19.1881 -6.9601 -6.9601 -6.1208 -6.1195 -6.0805 -6.0792 -5.0512 -5.0496 -5.0286 -5.0267 -4.6763 -4.6740 -4.5448 -4.5378 -4.4587 -4.4542 -4.4131 -4.4089 -4.2632 -4.2606 -4.2160 -4.2147 -4.0185 -4.0156 -3.4591 -3.4573 -3.4073 -3.4038 -3.2447 -3.2424 -3.0920 -3.0871 -3.0810 -3.0794 -2.9485 -2.9454 0.2467 0.2495 0.3174 0.3203 1.2998 1.3012 4.0268 4.0318 4.0552 4.0611 k = 0.2037 0.1176 0.6232 ( 8310 PWs) bands (ev): -20.0814 -20.0814 -20.0756 -20.0756 -19.9983 -19.9982 -19.2193 -19.2189 -19.2181 -19.2177 -19.1888 -19.1888 -6.9463 -6.9462 -6.1393 -6.1380 -6.0884 -6.0872 -5.0447 -5.0430 -5.0178 -5.0157 -4.6932 -4.6907 -4.5498 -4.5427 -4.4608 -4.4572 -4.4174 -4.4132 -4.2522 -4.2497 -4.2001 -4.1988 -4.0280 -4.0247 -3.4511 -3.4491 -3.3934 -3.3896 -3.2444 -3.2418 -3.0974 -3.0922 -3.0849 -3.0831 -2.9534 -2.9501 0.2469 0.2497 0.3323 0.3354 1.2834 1.2849 4.0205 4.0253 4.0554 4.0612 k = 0.2222 0.1283 0.6232 ( 8302 PWs) bands (ev): -20.0811 -20.0811 -20.0742 -20.0742 -20.0000 -19.9999 -19.2191 -19.2187 -19.2177 -19.2172 -19.1896 -19.1895 -6.9312 -6.9311 -6.1591 -6.1578 -6.0963 -6.0951 -5.0385 -5.0368 -5.0072 -5.0049 -4.7091 -4.7063 -4.5535 -4.5463 -4.4626 -4.4600 -4.4217 -4.4174 -4.2424 -4.2400 -4.1848 -4.1836 -4.0367 -4.0331 -3.4425 -3.4405 -3.3795 -3.3754 -3.2440 -3.2410 -3.1033 -3.0978 -3.0889 -3.0870 -2.9587 -2.9552 0.2470 0.2499 0.3486 0.3518 1.2656 1.2672 4.0140 4.0185 4.0558 4.0614 k = 0.2407 0.1390 0.6232 ( 8296 PWs) bands (ev): -20.0808 -20.0808 -20.0727 -20.0727 -20.0017 -20.0017 -19.2189 -19.2186 -19.2171 -19.2167 -19.1904 -19.1903 -6.9150 -6.9149 -6.1802 -6.1790 -6.1041 -6.1030 -5.0329 -5.0311 -4.9969 -4.9945 -4.7235 -4.7205 -4.5562 -4.5489 -4.4643 -4.4628 -4.4256 -4.4212 -4.2343 -4.2319 -4.1703 -4.1692 -4.0445 -4.0405 -3.4335 -3.4314 -3.3660 -3.3616 -3.2435 -3.2402 -3.1095 -3.1038 -3.0930 -3.0910 -2.9642 -2.9605 0.2472 0.2501 0.3662 0.3695 1.2466 1.2482 4.0073 4.0116 4.0563 4.0617 k = 0.2593 0.1497 0.6232 ( 8302 PWs) bands (ev): -20.0805 -20.0805 -20.0712 -20.0711 -20.0036 -20.0036 -19.2187 -19.2184 -19.2165 -19.2161 -19.1912 -19.1912 -6.8978 -6.8977 -6.2025 -6.2012 -6.1117 -6.1106 -5.0278 -5.0261 -4.9875 -4.9848 -4.7363 -4.7329 -4.5580 -4.5508 -4.4661 -4.4654 -4.4288 -4.4244 -4.2279 -4.2255 -4.1567 -4.1555 -4.0510 -4.0467 -3.4242 -3.4219 -3.3531 -3.3483 -3.2429 -3.2392 -3.1161 -3.1103 -3.0972 -3.0952 -2.9701 -2.9661 0.2474 0.2503 0.3851 0.3884 1.2263 1.2281 4.0006 4.0046 4.0569 4.0620 k = 0.2778 0.1604 0.6232 ( 8296 PWs) bands (ev): -20.0802 -20.0802 -20.0695 -20.0694 -20.0056 -20.0055 -19.2186 -19.2182 -19.2159 -19.2155 -19.1921 -19.1920 -6.8795 -6.8794 -6.2257 -6.2245 -6.1190 -6.1179 -5.0235 -5.0218 -4.9790 -4.9763 -4.7469 -4.7432 -4.5596 -4.5524 -4.4688 -4.4673 -4.4306 -4.4262 -4.2235 -4.2212 -4.1439 -4.1427 -4.0561 -4.0516 -3.4145 -3.4121 -3.3408 -3.3356 -3.2421 -3.2380 -3.1230 -3.1170 -3.1015 -3.0994 -2.9761 -2.9720 0.2475 0.2504 0.4050 0.4084 1.2051 1.2069 3.9940 3.9977 4.0575 4.0623 k = 0.2963 0.1711 0.6232 ( 8290 PWs) bands (ev): -20.0799 -20.0799 -20.0678 -20.0677 -20.0076 -20.0075 -19.2184 -19.2180 -19.2152 -19.2148 -19.1930 -19.1929 -6.8603 -6.8602 -6.2498 -6.2487 -6.1259 -6.1249 -5.0199 -5.0182 -4.9719 -4.9691 -4.7551 -4.7512 -4.5613 -4.5541 -4.4720 -4.4694 -4.4303 -4.4262 -4.2213 -4.2191 -4.1320 -4.1309 -4.0596 -4.0549 -3.4046 -3.4021 -3.3293 -3.3238 -3.2410 -3.2365 -3.1301 -3.1241 -3.1057 -3.1035 -2.9822 -2.9780 0.2477 0.2504 0.4260 0.4294 1.1829 1.1848 3.9876 3.9910 4.0583 4.0627 k = 0.3148 0.1818 0.6232 ( 8300 PWs) bands (ev): -20.0796 -20.0796 -20.0660 -20.0659 -20.0097 -20.0096 -19.2182 -19.2179 -19.2145 -19.2141 -19.1940 -19.1939 -6.8402 -6.8401 -6.2745 -6.2735 -6.1323 -6.1314 -5.0170 -5.0154 -4.9663 -4.9635 -4.7607 -4.7566 -4.5635 -4.5565 -4.4754 -4.4722 -4.4276 -4.4240 -4.2213 -4.2193 -4.1211 -4.1200 -4.0615 -4.0569 -3.3946 -3.3920 -3.3189 -3.3131 -3.2397 -3.2349 -3.1374 -3.1313 -3.1098 -3.1076 -2.9884 -2.9841 0.2478 0.2504 0.4478 0.4512 1.1600 1.1620 3.9815 3.9846 4.0590 4.0631 k = 0.3333 0.1925 0.6232 ( 8300 PWs) bands (ev): -20.0794 -20.0793 -20.0641 -20.0640 -20.0118 -20.0117 -19.2180 -19.2177 -19.2137 -19.2134 -19.1950 -19.1949 -6.8194 -6.8193 -6.2998 -6.2988 -6.1383 -6.1375 -5.0148 -5.0133 -4.9624 -4.9597 -4.7634 -4.7592 -4.5665 -4.5597 -4.4789 -4.4755 -4.4222 -4.4192 -4.2235 -4.2217 -4.1111 -4.1101 -4.0620 -4.0575 -3.3844 -3.3818 -3.3097 -3.3037 -3.2380 -3.2329 -3.1446 -3.1387 -3.1138 -3.1115 -2.9945 -2.9903 0.2480 0.2504 0.4702 0.4735 1.1366 1.1386 3.9758 3.9786 4.0598 4.0634 k = 0.3519 0.2031 0.6232 ( 8296 PWs) bands (ev): -20.0791 -20.0791 -20.0622 -20.0622 -20.0139 -20.0138 -19.2179 -19.2176 -19.2129 -19.2126 -19.1960 -19.1959 -6.7980 -6.7978 -6.3255 -6.3245 -6.1438 -6.1430 -5.0132 -5.0118 -4.9601 -4.9575 -4.7635 -4.7593 -4.5706 -4.5641 -4.4824 -4.4791 -4.4145 -4.4120 -4.2277 -4.2262 -4.1022 -4.1012 -4.0613 -4.0571 -3.3742 -3.3715 -3.3018 -3.2958 -3.2359 -3.2307 -3.1519 -3.1461 -3.1175 -3.1152 -3.0006 -2.9964 0.2482 0.2504 0.4929 0.4962 1.1130 1.1150 3.9705 3.9730 4.0606 4.0638 k = 0.3704 0.2138 0.6232 ( 8300 PWs) bands (ev): -20.0789 -20.0789 -20.0604 -20.0603 -20.0160 -20.0159 -19.2177 -19.2175 -19.2121 -19.2118 -19.1970 -19.1969 -6.7761 -6.7759 -6.3512 -6.3503 -6.1487 -6.1480 -5.0120 -5.0109 -4.9592 -4.9569 -4.7611 -4.7571 -4.5756 -4.5696 -4.4857 -4.4827 -4.4048 -4.4028 -4.2336 -4.2324 -4.0942 -4.0934 -4.0597 -4.0558 -3.3642 -3.3614 -3.2955 -3.2896 -3.2333 -3.2281 -3.1589 -3.1533 -3.1208 -3.1185 -3.0063 -3.0023 0.2483 0.2503 0.5157 0.5188 1.0896 1.0915 3.9657 3.9680 4.0613 4.0641 k = 0.3889 0.2245 0.6232 ( 8296 PWs) bands (ev): -20.0787 -20.0787 -20.0585 -20.0585 -20.0180 -20.0180 -19.2176 -19.2174 -19.2112 -19.2109 -19.1980 -19.1979 -6.7540 -6.7538 -6.3767 -6.3759 -6.1530 -6.1524 -5.0113 -5.0103 -4.9594 -4.9574 -4.7568 -4.7530 -4.5815 -4.5759 -4.4887 -4.4860 -4.3936 -4.3919 -4.2410 -4.2402 -4.0874 -4.0867 -4.0575 -4.0542 -3.3543 -3.3515 -3.2907 -3.2852 -3.2303 -3.2255 -3.1655 -3.1603 -3.1237 -3.1215 -3.0118 -3.0080 0.2485 0.2502 0.5381 0.5409 1.0667 1.0686 3.9615 3.9635 4.0620 4.0644 k = 0.4074 0.2352 0.6232 ( 8296 PWs) bands (ev): -20.0785 -20.0785 -20.0568 -20.0567 -20.0200 -20.0199 -19.2175 -19.2173 -19.2103 -19.2101 -19.1990 -19.1989 -6.7320 -6.7318 -6.4016 -6.4009 -6.1566 -6.1561 -5.0109 -5.0100 -4.9603 -4.9587 -4.7512 -4.7476 -4.5878 -4.5829 -4.4912 -4.4890 -4.3813 -4.3797 -4.2498 -4.2492 -4.0816 -4.0811 -4.0552 -4.0524 -3.3447 -3.3420 -3.2875 -3.2826 -3.2272 -3.2228 -3.1715 -3.1668 -3.1261 -3.1240 -3.0167 -3.0133 0.2486 0.2501 0.5594 0.5620 1.0449 1.0467 3.9580 3.9596 4.0626 4.0646 k = 0.4259 0.2459 0.6232 ( 8284 PWs) bands (ev): -20.0784 -20.0783 -20.0551 -20.0551 -20.0218 -20.0217 -19.2174 -19.2172 -19.2095 -19.2092 -19.2000 -19.1999 -6.7107 -6.7105 -6.4254 -6.4248 -6.1596 -6.1592 -5.0106 -5.0100 -4.9616 -4.9603 -4.7448 -4.7417 -4.5942 -4.5900 -4.4933 -4.4916 -4.3682 -4.3667 -4.2596 -4.2592 -4.0768 -4.0764 -4.0529 -4.0506 -3.3357 -3.3330 -3.2859 -3.2815 -3.2240 -3.2204 -3.1768 -3.1726 -3.1279 -3.1260 -3.0210 -3.0181 0.2488 0.2500 0.5791 0.5814 1.0250 1.0266 3.9550 3.9563 4.0632 4.0648 k = 0.4444 0.2566 0.6232 ( 8292 PWs) bands (ev): -20.0782 -20.0782 -20.0537 -20.0536 -20.0233 -20.0233 -19.2173 -19.2172 -19.2086 -19.2084 -19.2010 -19.2009 -6.6909 -6.6907 -6.4471 -6.4466 -6.1620 -6.1617 -5.0105 -5.0100 -4.9628 -4.9619 -4.7385 -4.7360 -4.6001 -4.5967 -4.4948 -4.4936 -4.3548 -4.3535 -4.2704 -4.2699 -4.0731 -4.0729 -4.0508 -4.0491 -3.3274 -3.3249 -3.2856 -3.2819 -3.2212 -3.2184 -3.1809 -3.1776 -3.1291 -3.1275 -3.0244 -3.0221 0.2489 0.2499 0.5962 0.5980 1.0079 1.0093 3.9527 3.9537 4.0637 4.0649 k = 0.4630 0.2673 0.6232 ( 8300 PWs) bands (ev): -20.0781 -20.0781 -20.0525 -20.0525 -20.0245 -20.0245 -19.2172 -19.2171 -19.2078 -19.2076 -19.2018 -19.2017 -6.6740 -6.6738 -6.4653 -6.4649 -6.1637 -6.1635 -5.0105 -5.0102 -4.9639 -4.9632 -4.7330 -4.7312 -4.6049 -4.6025 -4.4959 -4.4951 -4.3416 -4.3404 -4.2816 -4.2810 -4.0705 -4.0703 -4.0492 -4.0481 -3.3202 -3.3181 -3.2863 -3.2834 -3.2190 -3.2170 -3.1839 -3.1816 -3.1298 -3.1287 -3.0269 -3.0253 0.2491 0.2497 0.6097 0.6110 0.9946 0.9956 3.9511 3.9518 4.0641 4.0649 k = 0.4815 0.2780 0.6232 ( 8276 PWs) bands (ev): -20.0781 -20.0781 -20.0518 -20.0518 -20.0253 -20.0253 -19.2172 -19.2171 -19.2071 -19.2070 -19.2025 -19.2024 -6.6622 -6.6621 -6.4779 -6.4777 -6.1646 -6.1645 -5.0104 -5.0103 -4.9645 -4.9642 -4.7291 -4.7281 -4.6078 -4.6066 -4.4965 -4.4961 -4.3297 -4.3288 -4.2921 -4.2915 -4.0689 -4.0688 -4.0480 -4.0475 -3.3148 -3.3135 -3.2871 -3.2854 -3.2174 -3.2164 -3.1855 -3.1842 -3.1301 -3.1295 -3.0283 -3.0274 0.2493 0.2496 0.6185 0.6192 0.9862 0.9867 3.9503 3.9506 4.0644 4.0648 k = 0.5000 0.2887 0.6232 ( 8268 PWs) bands (ev): -20.0781 -20.0781 -20.0515 -20.0515 -20.0256 -20.0256 -19.2171 -19.2171 -19.2068 -19.2068 -19.2027 -19.2027 -6.6578 -6.6578 -6.4824 -6.4824 -6.1649 -6.1649 -5.0104 -5.0104 -4.9646 -4.9646 -4.7273 -4.7273 -4.6085 -4.6085 -4.4965 -4.4965 -4.3233 -4.3233 -4.2974 -4.2974 -4.0683 -4.0683 -4.0475 -4.0475 -3.3122 -3.3122 -3.2870 -3.2870 -3.2165 -3.2165 -3.1856 -3.1856 -3.1299 -3.1299 -3.0284 -3.0284 0.2494 0.2494 0.6218 0.6218 0.9835 0.9835 3.9501 3.9501 4.0647 4.0647 k = 0.5000 0.2887 0.6232 ( 8268 PWs) bands (ev): -20.0781 -20.0781 -20.0515 -20.0515 -20.0256 -20.0256 -19.2171 -19.2171 -19.2068 -19.2068 -19.2027 -19.2027 -6.6578 -6.6578 -6.4824 -6.4824 -6.1649 -6.1649 -5.0104 -5.0104 -4.9646 -4.9646 -4.7273 -4.7273 -4.6085 -4.6085 -4.4965 -4.4965 -4.3233 -4.3233 -4.2974 -4.2974 -4.0683 -4.0683 -4.0475 -4.0475 -3.3122 -3.3122 -3.2870 -3.2870 -3.2165 -3.2165 -3.1856 -3.1856 -3.1299 -3.1299 -3.0284 -3.0284 0.2494 0.2494 0.6218 0.6218 0.9835 0.9835 3.9501 3.9501 4.0647 4.0647 k = 0.4896 0.3067 0.6232 ( 8272 PWs) bands (ev): -20.0780 -20.0780 -20.0515 -20.0515 -20.0256 -20.0256 -19.2171 -19.2171 -19.2068 -19.2068 -19.2027 -19.2027 -6.6572 -6.6572 -6.4823 -6.4822 -6.1661 -6.1661 -5.0103 -5.0101 -4.9645 -4.9645 -4.7295 -4.7292 -4.6077 -4.6072 -4.4952 -4.4949 -4.3229 -4.3225 -4.2984 -4.2976 -4.0686 -4.0681 -4.0479 -4.0476 -3.3122 -3.3119 -3.2871 -3.2869 -3.2165 -3.2164 -3.1863 -3.1856 -3.1299 -3.1295 -3.0288 -3.0286 0.2498 0.2499 0.6222 0.6223 0.9826 0.9826 3.9501 3.9503 4.0631 4.0637 k = 0.4792 0.3248 0.6232 ( 8282 PWs) bands (ev): -20.0780 -20.0780 -20.0514 -20.0514 -20.0258 -20.0258 -19.2170 -19.2170 -19.2069 -19.2068 -19.2028 -19.2028 -6.6555 -6.6554 -6.4817 -6.4817 -6.1695 -6.1695 -5.0098 -5.0095 -4.9641 -4.9641 -4.7354 -4.7348 -4.6049 -4.6039 -4.4910 -4.4904 -4.3214 -4.3206 -4.3006 -4.2990 -4.0688 -4.0678 -4.0490 -4.0484 -3.3119 -3.3113 -3.2874 -3.2869 -3.2165 -3.2163 -3.1878 -3.1863 -3.1292 -3.1285 -3.0296 -3.0292 0.2510 0.2512 0.6236 0.6237 0.9799 0.9800 3.9503 3.9507 4.0593 4.0604 k = 0.4688 0.3428 0.6232 ( 8286 PWs) bands (ev): -20.0778 -20.0778 -20.0512 -20.0512 -20.0261 -20.0261 -19.2169 -19.2169 -19.2069 -19.2069 -19.2029 -19.2029 -6.6525 -6.6525 -6.4808 -6.4807 -6.1751 -6.1750 -5.0089 -5.0085 -4.9634 -4.9634 -4.7444 -4.7436 -4.6001 -4.5987 -4.4846 -4.4838 -4.3188 -4.3176 -4.3040 -4.3017 -4.0691 -4.0676 -4.0506 -4.0497 -3.3113 -3.3103 -3.2877 -3.2869 -3.2164 -3.2162 -3.1898 -3.1877 -3.1280 -3.1270 -3.0309 -3.0303 0.2530 0.2533 0.6259 0.6261 0.9755 0.9757 3.9508 3.9513 4.0538 4.0552 k = 0.4583 0.3608 0.6232 ( 8278 PWs) bands (ev): -20.0776 -20.0776 -20.0510 -20.0510 -20.0266 -20.0265 -19.2166 -19.2166 -19.2070 -19.2070 -19.2031 -19.2030 -6.6484 -6.6484 -6.4795 -6.4794 -6.1827 -6.1827 -5.0077 -5.0071 -4.9625 -4.9624 -4.7559 -4.7549 -4.5934 -4.5916 -4.4768 -4.4758 -4.3150 -4.3135 -4.3084 -4.3054 -4.0694 -4.0674 -4.0527 -4.0516 -3.3103 -3.3090 -3.2880 -3.2870 -3.2162 -3.2161 -3.1925 -3.1898 -3.1263 -3.1252 -3.0327 -3.0319 0.2558 0.2562 0.6294 0.6295 0.9694 0.9696 3.9514 3.9521 4.0470 4.0488 k = 0.4479 0.3789 0.6232 ( 8290 PWs) bands (ev): -20.0774 -20.0774 -20.0507 -20.0506 -20.0271 -20.0271 -19.2164 -19.2164 -19.2071 -19.2071 -19.2033 -19.2032 -6.6432 -6.6432 -6.4780 -6.4779 -6.1922 -6.1922 -5.0060 -5.0053 -4.9614 -4.9613 -4.7690 -4.7679 -4.5850 -4.5828 -4.4684 -4.4673 -4.3149 -4.3115 -4.3091 -4.3069 -4.0698 -4.0674 -4.0553 -4.0539 -3.3090 -3.3074 -3.2883 -3.2871 -3.2161 -3.2159 -3.1955 -3.1925 -3.1242 -3.1230 -3.0350 -3.0340 0.2591 0.2595 0.6339 0.6341 0.9617 0.9619 3.9523 3.9532 4.0394 4.0415 k = 0.4375 0.3969 0.6232 ( 8302 PWs) bands (ev): -20.0772 -20.0772 -20.0502 -20.0502 -20.0278 -20.0277 -19.2160 -19.2160 -19.2073 -19.2072 -19.2035 -19.2034 -6.6369 -6.6368 -6.4764 -6.4763 -6.2034 -6.2034 -5.0039 -5.0031 -4.9600 -4.9599 -4.7833 -4.7821 -4.5750 -4.5725 -4.4600 -4.4590 -4.3214 -4.3171 -4.3029 -4.3007 -4.0703 -4.0676 -4.0582 -4.0565 -3.3074 -3.3055 -3.2885 -3.2872 -3.2160 -3.2157 -3.1990 -3.1957 -3.1216 -3.1205 -3.0376 -3.0365 0.2628 0.2633 0.6397 0.6399 0.9522 0.9525 3.9534 3.9544 4.0315 4.0338 k = 0.4271 0.4150 0.6232 ( 8310 PWs) bands (ev): -20.0769 -20.0769 -20.0497 -20.0497 -20.0286 -20.0285 -19.2156 -19.2156 -19.2074 -19.2074 -19.2037 -19.2037 -6.6294 -6.6293 -6.4748 -6.4747 -6.2159 -6.2159 -5.0014 -5.0005 -4.9585 -4.9584 -4.7980 -4.7968 -4.5637 -4.5608 -4.4521 -4.4513 -4.3291 -4.3242 -4.2955 -4.2931 -4.0713 -4.0682 -4.0612 -4.0592 -3.3055 -3.3033 -3.2887 -3.2872 -3.2159 -3.2156 -3.2028 -3.1992 -3.1188 -3.1178 -3.0407 -3.0394 0.2668 0.2674 0.6468 0.6470 0.9412 0.9416 3.9546 3.9558 4.0236 4.0260 k = 0.4167 0.4330 0.6232 ( 8306 PWs) bands (ev): -20.0766 -20.0766 -20.0491 -20.0491 -20.0295 -20.0294 -19.2152 -19.2152 -19.2076 -19.2075 -19.2040 -19.2040 -6.6209 -6.6208 -6.4734 -6.4732 -6.2295 -6.2295 -4.9985 -4.9976 -4.9569 -4.9567 -4.8129 -4.8116 -4.5511 -4.5479 -4.4452 -4.4446 -4.3377 -4.3323 -4.2871 -4.2846 -4.0727 -4.0693 -4.0640 -4.0618 -3.3034 -3.3008 -3.2887 -3.2872 -3.2159 -3.2157 -3.2067 -3.2031 -3.1155 -3.1148 -3.0442 -3.0427 0.2709 0.2715 0.6554 0.6556 0.9287 0.9291 3.9561 3.9575 4.0158 4.0183 k = 0.4062 0.4511 0.6232 ( 8314 PWs) bands (ev): -20.0763 -20.0763 -20.0484 -20.0484 -20.0305 -20.0304 -19.2147 -19.2147 -19.2078 -19.2077 -19.2044 -19.2043 -6.6113 -6.6112 -6.4724 -6.4723 -6.2437 -6.2436 -4.9952 -4.9942 -4.9552 -4.9550 -4.8275 -4.8263 -4.5376 -4.5340 -4.4393 -4.4390 -4.3471 -4.3413 -4.2781 -4.2755 -4.0748 -4.0712 -4.0664 -4.0640 -3.3009 -3.2981 -3.2886 -3.2870 -3.2165 -3.2160 -3.2103 -3.2069 -3.1121 -3.1116 -3.0481 -3.0464 0.2750 0.2755 0.6656 0.6656 0.9147 0.9151 3.9577 3.9592 4.0084 4.0110 k = 0.3958 0.4691 0.6232 ( 8318 PWs) bands (ev): -20.0760 -20.0760 -20.0476 -20.0476 -20.0316 -20.0315 -19.2142 -19.2142 -19.2079 -19.2078 -19.2047 -19.2047 -6.6006 -6.6005 -6.4723 -6.4722 -6.2579 -6.2579 -4.9915 -4.9905 -4.9536 -4.9534 -4.8415 -4.8402 -4.5233 -4.5193 -4.4346 -4.4345 -4.3574 -4.3511 -4.2691 -4.2665 -4.0774 -4.0735 -4.0683 -4.0657 -3.2983 -3.2952 -3.2883 -3.2866 -3.2186 -3.2172 -3.2126 -3.2101 -3.1083 -3.1081 -3.0522 -3.0505 0.2788 0.2793 0.6774 0.6774 0.8993 0.8998 3.9594 3.9612 4.0014 4.0041 k = 0.3854 0.4871 0.6232 ( 8326 PWs) bands (ev): -20.0758 -20.0758 -20.0467 -20.0466 -20.0328 -20.0327 -19.2137 -19.2137 -19.2081 -19.2080 -19.2051 -19.2051 -6.5890 -6.5889 -6.4735 -6.4734 -6.2715 -6.2715 -4.9873 -4.9863 -4.9522 -4.9521 -4.8544 -4.8532 -4.5084 -4.5040 -4.4315 -4.4307 -4.3683 -4.3617 -4.2603 -4.2579 -4.0801 -4.0759 -4.0698 -4.0673 -3.2955 -3.2922 -3.2878 -3.2860 -3.2223 -3.2200 -3.2133 -3.2119 -3.1044 -3.1042 -3.0567 -3.0548 0.2821 0.2826 0.6908 0.6909 0.8826 0.8831 3.9613 3.9633 3.9950 3.9977 k = 0.3750 0.5052 0.6232 ( 8330 PWs) bands (ev): -20.0756 -20.0756 -20.0456 -20.0455 -20.0340 -20.0340 -19.2131 -19.2131 -19.2082 -19.2081 -19.2056 -19.2055 -6.5764 -6.5763 -6.4766 -6.4765 -6.2838 -6.2838 -4.9829 -4.9819 -4.9515 -4.9514 -4.8657 -4.8647 -4.4931 -4.4884 -4.4294 -4.4280 -4.3798 -4.3729 -4.2525 -4.2502 -4.0825 -4.0780 -4.0712 -4.0688 -3.2927 -3.2894 -3.2871 -3.2851 -3.2265 -3.2239 -3.2134 -3.2126 -3.1005 -3.0999 -3.0615 -3.0595 0.2850 0.2854 0.7059 0.7061 0.8647 0.8652 3.9634 3.9655 3.9892 3.9919 k = 0.3646 0.5232 0.6232 ( 8338 PWs) bands (ev): -20.0754 -20.0754 -20.0444 -20.0443 -20.0354 -20.0354 -19.2127 -19.2127 -19.2083 -19.2081 -19.2060 -19.2059 -6.5630 -6.5628 -6.4823 -6.4821 -6.2941 -6.2941 -4.9780 -4.9771 -4.9518 -4.9517 -4.8751 -4.8743 -4.4777 -4.4725 -4.4285 -4.4262 -4.3917 -4.3848 -4.2459 -4.2439 -4.0843 -4.0794 -4.0725 -4.0705 -3.2901 -3.2872 -3.2861 -3.2836 -3.2306 -3.2281 -3.2134 -3.2128 -3.0963 -3.0954 -3.0664 -3.0643 0.2873 0.2876 0.7227 0.7230 0.8456 0.8462 3.9655 3.9678 3.9841 3.9868 k = 0.3542 0.5413 0.6232 ( 8338 PWs) bands (ev): -20.0753 -20.0753 -20.0431 -20.0430 -20.0369 -20.0368 -19.2123 -19.2123 -19.2082 -19.2081 -19.2065 -19.2064 -6.5486 -6.5485 -6.4909 -6.4907 -6.3016 -6.3016 -4.9729 -4.9720 -4.9536 -4.9533 -4.8819 -4.8813 -4.4624 -4.4565 -4.4287 -4.4253 -4.4040 -4.3971 -4.2409 -4.2395 -4.0852 -4.0800 -4.0737 -4.0722 -3.2879 -3.2858 -3.2849 -3.2819 -3.2341 -3.2321 -3.2133 -3.2129 -3.0918 -3.0906 -3.0715 -3.0693 0.2890 0.2892 0.7411 0.7416 0.8256 0.8262 3.9677 3.9703 3.9798 3.9823 k = 0.3438 0.5593 0.6232 ( 8334 PWs) bands (ev): -20.0752 -20.0752 -20.0416 -20.0415 -20.0384 -20.0384 -19.2120 -19.2120 -19.2080 -19.2078 -19.2070 -19.2069 -6.5335 -6.5333 -6.5027 -6.5025 -6.3061 -6.3061 -4.9676 -4.9668 -4.9570 -4.9565 -4.8858 -4.8855 -4.4477 -4.4410 -4.4302 -4.4247 -4.4161 -4.4098 -4.2377 -4.2370 -4.0855 -4.0798 -4.0746 -4.0738 -3.2861 -3.2849 -3.2840 -3.2808 -3.2363 -3.2351 -3.2131 -3.2130 -3.0871 -3.0856 -3.0768 -3.0744 0.2900 0.2901 0.7610 0.7617 0.8047 0.8053 3.9699 3.9727 3.9763 3.9787 k = 0.3333 0.5774 0.6232 ( 8340 PWs) bands (ev): -20.0752 -20.0752 -20.0400 -20.0400 -20.0400 -20.0399 -19.2119 -19.2119 -19.2077 -19.2075 -19.2073 -19.2073 -6.5178 -6.5174 -6.5173 -6.5173 -6.3076 -6.3076 -4.9623 -4.9618 -4.9618 -4.9609 -4.8869 -4.8869 -4.4360 -4.4360 -4.4281 -4.4227 -4.4227 -4.4227 -4.2364 -4.2364 -4.0854 -4.0795 -4.0748 -4.0748 -3.2847 -3.2847 -3.2839 -3.2805 -3.2367 -3.2367 -3.2130 -3.2130 -3.0826 -3.0816 -3.0816 -3.0783 0.2903 0.2903 0.7800 0.7814 0.7853 0.7853 3.9711 3.9746 3.9746 3.9764 k = 0.3333 0.5774 0.6232 ( 8340 PWs) bands (ev): -20.0752 -20.0752 -20.0400 -20.0400 -20.0400 -20.0399 -19.2119 -19.2119 -19.2077 -19.2075 -19.2073 -19.2073 -6.5178 -6.5174 -6.5173 -6.5173 -6.3076 -6.3076 -4.9623 -4.9618 -4.9618 -4.9609 -4.8869 -4.8869 -4.4360 -4.4360 -4.4281 -4.4227 -4.4227 -4.4227 -4.2364 -4.2364 -4.0854 -4.0795 -4.0748 -4.0748 -3.2847 -3.2847 -3.2839 -3.2805 -3.2367 -3.2367 -3.2130 -3.2130 -3.0826 -3.0816 -3.0816 -3.0783 0.2903 0.2903 0.7800 0.7814 0.7853 0.7853 3.9711 3.9746 3.9746 3.9764 k = 0.3226 0.5587 0.6232 ( 8328 PWs) bands (ev): -20.0752 -20.0752 -20.0417 -20.0417 -20.0383 -20.0382 -19.2120 -19.2120 -19.2081 -19.2079 -19.2069 -19.2068 -6.5357 -6.5355 -6.5004 -6.5002 -6.3062 -6.3062 -4.9683 -4.9674 -4.9562 -4.9556 -4.8859 -4.8857 -4.4470 -4.4377 -4.4321 -4.4313 -4.4128 -4.4086 -4.2378 -4.2369 -4.0857 -4.0802 -4.0740 -4.0739 -3.2865 -3.2862 -3.2829 -3.2803 -3.2363 -3.2349 -3.2132 -3.2129 -3.0875 -3.0856 -3.0767 -3.0740 0.2900 0.2901 0.7592 0.7600 0.8063 0.8071 3.9701 3.9730 3.9761 3.9785 k = 0.3118 0.5401 0.6232 ( 8328 PWs) bands (ev): -20.0753 -20.0753 -20.0435 -20.0434 -20.0364 -20.0364 -19.2122 -19.2122 -19.2086 -19.2085 -19.2061 -19.2060 -6.5561 -6.5559 -6.4825 -6.4823 -6.3023 -6.3023 -4.9751 -4.9740 -4.9505 -4.9500 -4.8829 -4.8825 -4.4603 -4.4509 -4.4366 -4.4339 -4.3992 -4.3936 -4.2407 -4.2388 -4.0864 -4.0819 -4.0721 -4.0718 -3.2907 -3.2900 -3.2815 -3.2798 -3.2338 -3.2311 -3.2134 -3.2129 -3.0929 -3.0908 -3.0710 -3.0681 0.2890 0.2892 0.7354 0.7361 0.8310 0.8319 3.9689 3.9716 3.9786 3.9813 k = 0.3011 0.5215 0.6232 ( 8344 PWs) bands (ev): -20.0754 -20.0754 -20.0453 -20.0453 -20.0345 -20.0344 -19.2125 -19.2125 -19.2092 -19.2091 -19.2052 -19.2052 -6.5782 -6.5780 -6.4640 -6.4637 -6.2964 -6.2964 -4.9818 -4.9807 -4.9448 -4.9445 -4.8785 -4.8778 -4.4738 -4.4645 -4.4416 -4.4377 -4.3855 -4.3791 -4.2448 -4.2419 -4.0874 -4.0839 -4.0697 -4.0694 -3.2966 -3.2955 -3.2803 -3.2792 -3.2295 -3.2259 -3.2137 -3.2129 -3.0979 -3.0959 -3.0651 -3.0619 0.2876 0.2879 0.7109 0.7117 0.8567 0.8578 3.9684 3.9708 3.9813 3.9841 k = 0.2903 0.5029 0.6232 ( 8336 PWs) bands (ev): -20.0756 -20.0756 -20.0472 -20.0471 -20.0324 -20.0324 -19.2128 -19.2128 -19.2098 -19.2097 -19.2043 -19.2042 -6.6015 -6.6013 -6.4449 -6.4446 -6.2890 -6.2890 -4.9882 -4.9870 -4.9395 -4.9393 -4.8729 -4.8721 -4.4872 -4.4779 -4.4475 -4.4425 -4.3725 -4.3654 -4.2496 -4.2458 -4.0886 -4.0858 -4.0674 -4.0671 -3.3036 -3.3022 -3.2792 -3.2788 -3.2242 -3.2202 -3.2140 -3.2125 -3.1026 -3.1007 -3.0589 -3.0554 0.2857 0.2861 0.6861 0.6869 0.8832 0.8845 3.9686 3.9708 3.9841 3.9871 k = 0.2796 0.4842 0.6232 ( 8334 PWs) bands (ev): -20.0758 -20.0758 -20.0491 -20.0490 -20.0303 -20.0302 -19.2132 -19.2131 -19.2104 -19.2103 -19.2033 -19.2033 -6.6255 -6.6254 -6.4254 -6.4251 -6.2802 -6.2802 -4.9940 -4.9929 -4.9346 -4.9346 -4.8665 -4.8655 -4.5001 -4.4908 -4.4543 -4.4483 -4.3602 -4.3525 -4.2550 -4.2503 -4.0896 -4.0875 -4.0657 -4.0654 -3.3114 -3.3098 -3.2787 -3.2785 -3.2196 -3.2166 -3.2131 -3.2096 -3.1068 -3.1049 -3.0526 -3.0488 0.2835 0.2840 0.6611 0.6619 0.9105 0.9118 3.9695 3.9715 3.9870 3.9901 k = 0.2688 0.4656 0.6232 ( 8322 PWs) bands (ev): -20.0761 -20.0761 -20.0510 -20.0510 -20.0281 -20.0280 -19.2136 -19.2135 -19.2110 -19.2109 -19.2023 -19.2023 -6.6500 -6.6498 -6.4054 -6.4051 -6.2705 -6.2705 -4.9993 -4.9981 -4.9306 -4.9304 -4.8593 -4.8582 -4.5123 -4.5029 -4.4618 -4.4549 -4.3489 -4.3406 -4.2606 -4.2551 -4.0904 -4.0889 -4.0647 -4.0646 -3.3197 -3.3180 -3.2792 -3.2782 -3.2189 -3.2166 -3.2079 -3.2028 -3.1103 -3.1085 -3.0460 -3.0420 0.2810 0.2817 0.6359 0.6367 0.9381 0.9396 3.9712 3.9729 3.9899 3.9932 k = 0.2581 0.4470 0.6232 ( 8316 PWs) bands (ev): -20.0764 -20.0764 -20.0530 -20.0529 -20.0259 -20.0258 -19.2140 -19.2139 -19.2116 -19.2115 -19.2013 -19.2012 -6.6746 -6.6745 -6.3851 -6.3848 -6.2600 -6.2599 -5.0038 -5.0027 -4.9275 -4.9271 -4.8514 -4.8502 -4.5236 -4.5141 -4.4699 -4.4623 -4.3387 -4.3298 -4.2662 -4.2599 -4.0908 -4.0899 -4.0647 -4.0647 -3.3285 -3.3267 -3.2802 -3.2785 -3.2205 -3.2179 -3.2005 -3.1948 -3.1130 -3.1113 -3.0393 -3.0351 0.2784 0.2791 0.6106 0.6114 0.9660 0.9676 3.9736 3.9750 3.9929 3.9963 k = 0.2473 0.4284 0.6232 ( 8314 PWs) bands (ev): -20.0767 -20.0767 -20.0549 -20.0549 -20.0236 -20.0236 -19.2144 -19.2143 -19.2122 -19.2121 -19.2003 -19.2002 -6.6992 -6.6991 -6.3646 -6.3642 -6.2487 -6.2487 -5.0077 -5.0066 -4.9254 -4.9249 -4.8429 -4.8417 -4.5335 -4.5240 -4.4785 -4.4702 -4.3296 -4.3201 -4.2718 -4.2649 -4.0907 -4.0904 -4.0661 -4.0658 -3.3376 -3.3357 -3.2820 -3.2795 -3.2228 -3.2197 -3.1924 -3.1864 -3.1147 -3.1131 -3.0324 -3.0281 0.2756 0.2764 0.5855 0.5863 0.9940 0.9956 3.9766 3.9777 3.9960 3.9994 k = 0.2366 0.4097 0.6232 ( 8306 PWs) bands (ev): -20.0770 -20.0770 -20.0569 -20.0568 -20.0213 -20.0213 -19.2148 -19.2147 -19.2128 -19.2126 -19.1992 -19.1991 -6.7236 -6.7235 -6.3439 -6.3435 -6.2370 -6.2369 -5.0111 -5.0100 -4.9247 -4.9241 -4.8338 -4.8325 -4.5420 -4.5325 -4.4873 -4.4785 -4.3216 -4.3117 -4.2773 -4.2698 -4.0903 -4.0902 -4.0687 -4.0681 -3.3470 -3.3451 -3.2848 -3.2815 -3.2257 -3.2221 -3.1840 -3.1777 -3.1155 -3.1140 -3.0255 -3.0210 0.2728 0.2737 0.5607 0.5615 1.0219 1.0236 3.9803 3.9810 3.9991 4.0026 k = 0.2258 0.3911 0.6232 ( 8298 PWs) bands (ev): -20.0774 -20.0774 -20.0588 -20.0587 -20.0190 -20.0190 -19.2152 -19.2151 -19.2133 -19.2132 -19.1982 -19.1981 -6.7476 -6.7475 -6.3231 -6.3226 -6.2249 -6.2248 -5.0139 -5.0129 -4.9256 -4.9248 -4.8242 -4.8228 -4.5487 -4.5392 -4.4962 -4.4869 -4.3149 -4.3045 -4.2826 -4.2746 -4.0894 -4.0893 -4.0726 -4.0715 -3.3565 -3.3546 -3.2886 -3.2846 -3.2288 -3.2246 -3.1753 -3.1689 -3.1153 -3.1139 -3.0185 -3.0139 0.2701 0.2710 0.5361 0.5369 1.0495 1.0513 3.9845 3.9847 4.0024 4.0058 k = 0.2151 0.3725 0.6232 ( 8298 PWs) bands (ev): -20.0778 -20.0778 -20.0607 -20.0606 -20.0167 -20.0167 -19.2156 -19.2155 -19.2139 -19.2138 -19.1971 -19.1970 -6.7711 -6.7710 -6.3022 -6.3018 -6.2124 -6.2123 -5.0164 -5.0154 -4.9281 -4.9272 -4.8140 -4.8126 -4.5534 -4.5440 -4.5049 -4.4951 -4.3094 -4.2986 -4.2878 -4.2795 -4.0885 -4.0879 -4.0776 -4.0753 -3.3663 -3.3643 -3.2937 -3.2891 -3.2318 -3.2273 -3.1667 -3.1602 -3.1141 -3.1129 -3.0114 -3.0068 0.2674 0.2683 0.5121 0.5129 1.0767 1.0785 3.9890 3.9892 4.0056 4.0091 k = 0.2043 0.3539 0.6232 ( 8296 PWs) bands (ev): -20.0782 -20.0782 -20.0626 -20.0625 -20.0145 -20.0144 -19.2160 -19.2159 -19.2145 -19.2144 -19.1961 -19.1960 -6.7940 -6.7939 -6.2815 -6.2810 -6.1998 -6.1996 -5.0186 -5.0178 -4.9323 -4.9313 -4.8031 -4.8018 -4.5562 -4.5469 -4.5132 -4.5030 -4.3053 -4.2941 -4.2930 -4.2843 -4.0899 -4.0871 -4.0824 -4.0775 -3.3761 -3.3742 -3.3002 -3.2952 -3.2347 -3.2299 -3.1580 -3.1515 -3.1123 -3.1111 -3.0044 -2.9998 0.2648 0.2657 0.4886 0.4894 1.1034 1.1052 3.9936 3.9943 4.0090 4.0125 k = 0.1935 0.3352 0.6232 ( 8300 PWs) bands (ev): -20.0786 -20.0786 -20.0644 -20.0644 -20.0122 -20.0122 -19.2164 -19.2163 -19.2150 -19.2149 -19.1951 -19.1950 -6.8161 -6.8161 -6.2609 -6.2604 -6.1869 -6.1868 -5.0208 -5.0201 -4.9382 -4.9372 -4.7917 -4.7904 -4.5569 -4.5477 -4.5207 -4.5102 -4.3026 -4.2979 -4.2913 -4.2889 -4.0955 -4.0933 -4.0806 -4.0760 -3.3859 -3.3840 -3.3081 -3.3029 -3.2370 -3.2323 -3.1495 -3.1430 -3.1097 -3.1087 -2.9975 -2.9929 0.2623 0.2633 0.4658 0.4666 1.1293 1.1311 3.9985 3.9997 4.0124 4.0159 k = 0.1828 0.3166 0.6232 ( 8300 PWs) bands (ev): -20.0790 -20.0790 -20.0662 -20.0662 -20.0100 -20.0100 -19.2168 -19.2167 -19.2155 -19.2154 -19.1941 -19.1940 -6.8375 -6.8374 -6.2406 -6.2401 -6.1740 -6.1739 -5.0232 -5.0225 -4.9457 -4.9447 -4.7797 -4.7784 -4.5557 -4.5466 -4.5272 -4.5166 -4.3041 -4.2999 -4.2946 -4.2888 -4.1040 -4.1024 -4.0762 -4.0720 -3.3958 -3.3939 -3.3172 -3.3121 -3.2390 -3.2344 -3.1412 -3.1348 -3.1067 -3.1057 -2.9906 -2.9861 0.2600 0.2610 0.4438 0.4445 1.1544 1.1562 4.0036 4.0054 4.0160 4.0194 k = 0.1720 0.2980 0.6232 ( 8278 PWs) bands (ev): -20.0794 -20.0794 -20.0680 -20.0679 -20.0079 -20.0078 -19.2172 -19.2171 -19.2160 -19.2160 -19.1931 -19.1930 -6.8580 -6.8579 -6.2206 -6.2201 -6.1612 -6.1610 -5.0258 -5.0253 -4.9546 -4.9537 -4.7669 -4.7658 -4.5526 -4.5438 -4.5325 -4.5218 -4.3091 -4.2997 -4.2996 -4.2882 -4.1142 -4.1129 -4.0707 -4.0667 -3.4055 -3.4036 -3.3276 -3.3226 -3.2405 -3.2362 -3.1331 -3.1268 -3.1033 -3.1023 -2.9839 -2.9795 0.2579 0.2589 0.4226 0.4233 1.1786 1.1804 4.0088 4.0112 4.0196 4.0229 k = 0.1613 0.2794 0.6232 ( 8270 PWs) bands (ev): -20.0798 -20.0798 -20.0697 -20.0696 -20.0058 -20.0058 -19.2176 -19.2175 -19.2165 -19.2164 -19.1922 -19.1921 -6.8776 -6.8775 -6.2011 -6.2005 -6.1484 -6.1482 -5.0288 -5.0284 -4.9648 -4.9639 -4.7534 -4.7525 -4.5482 -4.5394 -4.5363 -4.5256 -4.3146 -4.3050 -4.3001 -4.2888 -4.1259 -4.1247 -4.0641 -4.0603 -3.4151 -3.4133 -3.3391 -3.3343 -3.2417 -3.2377 -3.1253 -3.1192 -3.0996 -3.0987 -2.9773 -2.9731 0.2560 0.2570 0.4024 0.4031 1.2018 1.2035 4.0140 4.0171 4.0233 4.0265 k = 0.1505 0.2607 0.6232 ( 8278 PWs) bands (ev): -20.0802 -20.0801 -20.0713 -20.0712 -20.0038 -20.0038 -19.2179 -19.2178 -19.2170 -19.2169 -19.1913 -19.1912 -6.8962 -6.8961 -6.1821 -6.1815 -6.1358 -6.1356 -5.0324 -5.0321 -4.9759 -4.9751 -4.7392 -4.7385 -4.5435 -4.5375 -4.5344 -4.5273 -4.3203 -4.3107 -4.3017 -4.2905 -4.1389 -4.1378 -4.0567 -4.0530 -3.4245 -3.4227 -3.3514 -3.3469 -3.2426 -3.2390 -3.1179 -3.1119 -3.0958 -3.0949 -2.9710 -2.9670 0.2543 0.2553 0.3832 0.3838 1.2237 1.2254 4.0192 4.0227 4.0273 4.0302 k = 0.1398 0.2421 0.6232 ( 8286 PWs) bands (ev): -20.0805 -20.0805 -20.0728 -20.0728 -20.0019 -20.0018 -19.2183 -19.2182 -19.2174 -19.2173 -19.1904 -19.1904 -6.9137 -6.9136 -6.1637 -6.1631 -6.1234 -6.1233 -5.0365 -5.0363 -4.9877 -4.9870 -4.7242 -4.7237 -4.5418 -4.5328 -4.5316 -4.5240 -4.3262 -4.3165 -4.3041 -4.2932 -4.1530 -4.1519 -4.0484 -4.0449 -3.4337 -3.4320 -3.3645 -3.3602 -3.2433 -3.2400 -3.1109 -3.1051 -3.0919 -3.0910 -2.9650 -2.9612 0.2528 0.2537 0.3651 0.3657 1.2445 1.2462 4.0241 4.0278 4.0316 4.0339 k = 0.1290 0.2235 0.6232 ( 8294 PWs) bands (ev): -20.0809 -20.0809 -20.0743 -20.0742 -20.0001 -20.0000 -19.2186 -19.2185 -19.2178 -19.2178 -19.1896 -19.1896 -6.9301 -6.9300 -6.1460 -6.1455 -6.1115 -6.1113 -5.0413 -5.0411 -4.9998 -4.9992 -4.7084 -4.7083 -4.5408 -4.5305 -4.5250 -4.5167 -4.3324 -4.3227 -4.3074 -4.2967 -4.1682 -4.1672 -4.0393 -4.0361 -3.4425 -3.4409 -3.3781 -3.3742 -3.2439 -3.2409 -3.1043 -3.0988 -3.0881 -3.0872 -2.9593 -2.9557 0.2515 0.2524 0.3481 0.3487 1.2640 1.2656 4.0288 4.0322 4.0364 4.0377 k = 0.1183 0.2049 0.6232 ( 8298 PWs) bands (ev): -20.0812 -20.0812 -20.0756 -20.0756 -19.9984 -19.9983 -19.2189 -19.2188 -19.2182 -19.2181 -19.1889 -19.1888 -6.9453 -6.9452 -6.1292 -6.1287 -6.0999 -6.0997 -5.0466 -5.0465 -5.0121 -5.0116 -4.6921 -4.6919 -4.5385 -4.5285 -4.5162 -4.5081 -4.3388 -4.3292 -4.3114 -4.3011 -4.1844 -4.1834 -4.0297 -4.0268 -3.4509 -3.4494 -3.3921 -3.3884 -3.2443 -3.2417 -3.0982 -3.0930 -3.0843 -3.0834 -2.9539 -2.9505 0.2504 0.2513 0.3323 0.3329 1.2821 1.2836 4.0331 4.0361 4.0413 4.0414 k = 0.1075 0.1862 0.6232 ( 8318 PWs) bands (ev): -20.0816 -20.0816 -20.0769 -20.0769 -19.9968 -19.9968 -19.2192 -19.2191 -19.2185 -19.2185 -19.1881 -19.1881 -6.9594 -6.9593 -6.1133 -6.1128 -6.0889 -6.0887 -5.0523 -5.0523 -5.0243 -5.0238 -4.6754 -4.6748 -4.5347 -4.5252 -4.5067 -4.4988 -4.3455 -4.3359 -4.3160 -4.3061 -4.2016 -4.2006 -4.0197 -4.0170 -3.4589 -3.4575 -3.4062 -3.4029 -3.2447 -3.2424 -3.0925 -3.0877 -3.0806 -3.0797 -2.9488 -2.9458 0.2494 0.2503 0.3178 0.3183 1.2988 1.3002 4.0370 4.0396 4.0451 4.0459 k = 0.0968 0.1676 0.6232 ( 8314 PWs) bands (ev): -20.0819 -20.0819 -20.0781 -20.0780 -19.9953 -19.9953 -19.2195 -19.2194 -19.2188 -19.2188 -19.1875 -19.1875 -6.9722 -6.9721 -6.0985 -6.0979 -6.0785 -6.0783 -5.0584 -5.0584 -5.0361 -5.0357 -4.6581 -4.6572 -4.5295 -4.5205 -4.4969 -4.4892 -4.3524 -4.3430 -4.3213 -4.3117 -4.2195 -4.2185 -4.0094 -4.0070 -3.4663 -3.4650 -3.4202 -3.4172 -3.2449 -3.2429 -3.0874 -3.0830 -3.0770 -3.0762 -2.9441 -2.9414 0.2486 0.2494 0.3046 0.3050 1.3140 1.3153 4.0405 4.0430 4.0485 4.0501 k = 0.0860 0.1490 0.6232 ( 8326 PWs) bands (ev): -20.0821 -20.0821 -20.0791 -20.0791 -19.9940 -19.9940 -19.2198 -19.2197 -19.2191 -19.2191 -19.1869 -19.1869 -6.9837 -6.9837 -6.0848 -6.0843 -6.0688 -6.0686 -5.0646 -5.0646 -5.0473 -5.0470 -4.6406 -4.6392 -4.5229 -4.5146 -4.4869 -4.4793 -4.3594 -4.3503 -4.3270 -4.3178 -4.2382 -4.2372 -3.9991 -3.9970 -3.4732 -3.4721 -3.4340 -3.4312 -3.2452 -3.2434 -3.0829 -3.0789 -3.0737 -3.0730 -2.9399 -2.9374 0.2480 0.2487 0.2927 0.2931 1.3278 1.3289 4.0436 4.0460 4.0516 4.0536 k = 0.0753 0.1304 0.6232 ( 8320 PWs) bands (ev): -20.0824 -20.0824 -20.0801 -20.0800 -19.9928 -19.9928 -19.2200 -19.2199 -19.2193 -19.2193 -19.1864 -19.1864 -6.9940 -6.9939 -6.0723 -6.0719 -6.0600 -6.0598 -5.0707 -5.0707 -5.0577 -5.0574 -4.6230 -4.6211 -4.5149 -4.5075 -4.4768 -4.4694 -4.3666 -4.3577 -4.3330 -4.3244 -4.2574 -4.2563 -3.9889 -3.9871 -3.4794 -3.4785 -3.4471 -3.4446 -3.2453 -3.2438 -3.0788 -3.0754 -3.0706 -3.0700 -2.9361 -2.9339 0.2474 0.2481 0.2822 0.2826 1.3399 1.3410 4.0464 4.0489 4.0544 4.0564 k = 0.0645 0.1117 0.6232 ( 8316 PWs) bands (ev): -20.0826 -20.0826 -20.0809 -20.0809 -19.9918 -19.9917 -19.2202 -19.2201 -19.2195 -19.2195 -19.1859 -19.1859 -7.0029 -7.0029 -6.0613 -6.0609 -6.0521 -6.0519 -5.0766 -5.0765 -5.0671 -5.0669 -4.6058 -4.6034 -4.5056 -4.4991 -4.4669 -4.4597 -4.3738 -4.3654 -4.3393 -4.3312 -4.2770 -4.2759 -3.9791 -3.9776 -3.4850 -3.4843 -3.4594 -3.4571 -3.2454 -3.2442 -3.0753 -3.0724 -3.0677 -3.0673 -2.9327 -2.9309 0.2469 0.2475 0.2731 0.2735 1.3506 1.3515 4.0488 4.0514 4.0568 4.0586 k = 0.0538 0.0931 0.6232 ( 8324 PWs) bands (ev): -20.0828 -20.0828 -20.0816 -20.0816 -19.9909 -19.9908 -19.2204 -19.2203 -19.2197 -19.2197 -19.1855 -19.1855 -7.0105 -7.0105 -6.0518 -6.0514 -6.0452 -6.0450 -5.0820 -5.0819 -5.0753 -5.0751 -4.5894 -4.5867 -4.4949 -4.4895 -4.4573 -4.4504 -4.3809 -4.3731 -4.3457 -4.3382 -4.2966 -4.2955 -3.9701 -3.9689 -3.4899 -3.4894 -3.4704 -3.4684 -3.2455 -3.2445 -3.0723 -3.0700 -3.0652 -3.0649 -2.9299 -2.9283 0.2465 0.2469 0.2656 0.2658 1.3596 1.3604 4.0508 4.0535 4.0588 4.0602 k = 0.0430 0.0745 0.6232 ( 8320 PWs) bands (ev): -20.0830 -20.0830 -20.0822 -20.0822 -19.9901 -19.9901 -19.2205 -19.2204 -19.2198 -19.2198 -19.1852 -19.1852 -7.0167 -7.0167 -6.0438 -6.0436 -6.0393 -6.0392 -5.0868 -5.0867 -5.0822 -5.0821 -4.5745 -4.5715 -4.4828 -4.4785 -4.4482 -4.4417 -4.3879 -4.3809 -4.3520 -4.3453 -4.3159 -4.3146 -3.9621 -3.9611 -3.4942 -3.4939 -3.4798 -3.4780 -3.2456 -3.2448 -3.0699 -3.0681 -3.0631 -3.0629 -2.9275 -2.9262 0.2459 0.2463 0.2595 0.2597 1.3670 1.3677 4.0525 4.0551 4.0604 4.0613 k = 0.0323 0.0559 0.6232 ( 8312 PWs) bands (ev): -20.0831 -20.0831 -20.0826 -20.0826 -19.9895 -19.9895 -19.2206 -19.2206 -19.2200 -19.2200 -19.1849 -19.1849 -7.0216 -7.0216 -6.0376 -6.0374 -6.0346 -6.0345 -5.0908 -5.0907 -5.0875 -5.0875 -4.5617 -4.5587 -4.4692 -4.4660 -4.4398 -4.4339 -4.3948 -4.3890 -4.3577 -4.3523 -4.3342 -4.3326 -3.9554 -3.9547 -3.4979 -3.4979 -3.4871 -3.4856 -3.2456 -3.2450 -3.0679 -3.0666 -3.0614 -3.0614 -2.9255 -2.9246 0.2452 0.2455 0.2552 0.2553 1.3728 1.3733 4.0540 4.0563 4.0617 4.0621 k = 0.0215 0.0372 0.6232 ( 8310 PWs) bands (ev): -20.0832 -20.0832 -20.0829 -20.0829 -19.9891 -19.9891 -19.2207 -19.2206 -19.2200 -19.2200 -19.1848 -19.1848 -7.0251 -7.0251 -6.0333 -6.0332 -6.0310 -6.0310 -5.0939 -5.0938 -5.0913 -5.0913 -4.5517 -4.5493 -4.4545 -4.4522 -4.4325 -4.4278 -4.4024 -4.3979 -4.3624 -4.3588 -4.3499 -4.3479 -3.9504 -3.9499 -3.5012 -3.5012 -3.4919 -3.4909 -3.2456 -3.2452 -3.0665 -3.0657 -3.0602 -3.0602 -2.9241 -2.9235 0.2443 0.2444 0.2525 0.2526 1.3770 1.3773 4.0551 4.0569 4.0625 4.0626 k = 0.0108 0.0186 0.6232 ( 8318 PWs) bands (ev): -20.0833 -20.0833 -20.0831 -20.0831 -19.9889 -19.9889 -19.2207 -19.2207 -19.2201 -19.2201 -19.1847 -19.1846 -7.0272 -7.0272 -6.0308 -6.0307 -6.0287 -6.0287 -5.0959 -5.0958 -5.0935 -5.0935 -4.5451 -4.5437 -4.4392 -4.4376 -4.4272 -4.4239 -4.4118 -4.4086 -4.3652 -4.3642 -4.3606 -4.3583 -3.9472 -3.9470 -3.5035 -3.5035 -3.4945 -3.4939 -3.2455 -3.2453 -3.0656 -3.0652 -3.0595 -3.0595 -2.9232 -2.9229 0.2435 0.2435 0.2512 0.2512 1.3796 1.3797 4.0560 4.0570 4.0630 4.0630 k = 0.0000 0.0000 0.6232 ( 8314 PWs) bands (ev): -20.0833 -20.0833 -20.0831 -20.0831 -19.9888 -19.9888 -19.2207 -19.2207 -19.2201 -19.2201 -19.1846 -19.1846 -7.0279 -7.0279 -6.0299 -6.0299 -6.0280 -6.0280 -5.0966 -5.0966 -5.0942 -5.0942 -4.5423 -4.5423 -4.4265 -4.4265 -4.4237 -4.4237 -4.4203 -4.4203 -4.3665 -4.3665 -4.3629 -4.3629 -3.9461 -3.9461 -3.5044 -3.5044 -3.4951 -3.4951 -3.2454 -3.2454 -3.0651 -3.0651 -3.0593 -3.0593 -2.9228 -2.9228 0.2431 0.2431 0.2508 0.2508 1.3805 1.3805 4.0567 4.0567 4.0631 4.0631 k = 0.5000 0.2887 0.6232 ( 8268 PWs) bands (ev): -20.0781 -20.0781 -20.0515 -20.0515 -20.0256 -20.0256 -19.2171 -19.2171 -19.2068 -19.2068 -19.2027 -19.2027 -6.6578 -6.6578 -6.4824 -6.4824 -6.1649 -6.1649 -5.0104 -5.0104 -4.9646 -4.9646 -4.7273 -4.7273 -4.6085 -4.6085 -4.4965 -4.4965 -4.3233 -4.3233 -4.2974 -4.2974 -4.0683 -4.0683 -4.0475 -4.0475 -3.3122 -3.3122 -3.2870 -3.2870 -3.2165 -3.2165 -3.1856 -3.1856 -3.1299 -3.1299 -3.0284 -3.0284 0.2494 0.2494 0.6218 0.6218 0.9835 0.9835 3.9501 3.9501 4.0647 4.0647 k = 0.5000 0.2887 0.6017 ( 8280 PWs) bands (ev): -20.0781 -20.0781 -20.0516 -20.0516 -20.0255 -20.0255 -19.2173 -19.2172 -19.2069 -19.2068 -19.2025 -19.2025 -6.6582 -6.6582 -6.4823 -6.4823 -6.1644 -6.1644 -5.0128 -5.0118 -4.9629 -4.9619 -4.7286 -4.7277 -4.6076 -4.6070 -4.4964 -4.4963 -4.3237 -4.3235 -4.2975 -4.2974 -4.0689 -4.0681 -4.0481 -4.0471 -3.3159 -3.3139 -3.2857 -3.2838 -3.2165 -3.2161 -3.1859 -3.1854 -3.1299 -3.1299 -3.0284 -3.0282 0.2494 0.2494 0.6212 0.6213 0.9831 0.9832 3.9505 3.9508 4.0652 4.0656 k = 0.5000 0.2887 0.5802 ( 8288 PWs) bands (ev): -20.0780 -20.0780 -20.0517 -20.0517 -20.0255 -20.0255 -19.2177 -19.2176 -19.2070 -19.2069 -19.2020 -19.2020 -6.6593 -6.6593 -6.4819 -6.4819 -6.1628 -6.1627 -5.0181 -5.0163 -4.9575 -4.9559 -4.7315 -4.7298 -4.6045 -4.6034 -4.4958 -4.4956 -4.3246 -4.3243 -4.2980 -4.2978 -4.0699 -4.0682 -4.0491 -4.0471 -3.3226 -3.3198 -3.2810 -3.2783 -3.2163 -3.2155 -3.1864 -3.1853 -3.1298 -3.1297 -3.0281 -3.0276 0.2493 0.2494 0.6198 0.6199 0.9822 0.9823 3.9522 3.9529 4.0671 4.0680 k = 0.5000 0.2887 0.5587 ( 8304 PWs) bands (ev): -20.0780 -20.0779 -20.0520 -20.0520 -20.0254 -20.0253 -19.2183 -19.2182 -19.2072 -19.2071 -19.2012 -19.2011 -6.6612 -6.6611 -6.4813 -6.4813 -6.1602 -6.1601 -5.0248 -5.0226 -4.9499 -4.9480 -4.7356 -4.7331 -4.5993 -4.5979 -4.4949 -4.4945 -4.3262 -4.3256 -4.2987 -4.2984 -4.0710 -4.0686 -4.0503 -4.0475 -3.3305 -3.3275 -3.2753 -3.2725 -3.2157 -3.2145 -3.1871 -3.1853 -3.1295 -3.1294 -3.0274 -3.0268 0.2492 0.2494 0.6174 0.6176 0.9807 0.9808 3.9551 3.9561 4.0705 4.0718 k = 0.5000 0.2887 0.5372 ( 8290 PWs) bands (ev): -20.0779 -20.0778 -20.0523 -20.0523 -20.0252 -20.0252 -19.2191 -19.2189 -19.2074 -19.2073 -19.2002 -19.2001 -6.6637 -6.6636 -6.4804 -6.4804 -6.1566 -6.1564 -5.0319 -5.0295 -4.9410 -4.9391 -4.7406 -4.7374 -4.5926 -4.5908 -4.4935 -4.4930 -4.3282 -4.3275 -4.2997 -4.2992 -4.0725 -4.0694 -4.0518 -4.0482 -3.3391 -3.3360 -3.2697 -3.2671 -3.2147 -3.2132 -3.1879 -3.1854 -3.1291 -3.1289 -3.0265 -3.0257 0.2492 0.2494 0.6141 0.6143 0.9785 0.9788 3.9592 3.9605 4.0753 4.0770 k = 0.5000 0.2887 0.5157 ( 8306 PWs) bands (ev): -20.0777 -20.0777 -20.0528 -20.0527 -20.0251 -20.0250 -19.2200 -19.2197 -19.2076 -19.2075 -19.1991 -19.1990 -6.6668 -6.6667 -6.4793 -6.4792 -6.1520 -6.1518 -5.0391 -5.0366 -4.9317 -4.9297 -4.7460 -4.7422 -4.5846 -4.5826 -4.4918 -4.4913 -4.3308 -4.3299 -4.3009 -4.3003 -4.0741 -4.0706 -4.0536 -4.0493 -3.3479 -3.3448 -3.2646 -3.2624 -3.2133 -3.2115 -3.1887 -3.1856 -3.1285 -3.1283 -3.0252 -3.0243 0.2491 0.2494 0.6099 0.6102 0.9759 0.9761 3.9645 3.9661 4.0815 4.0836 k = 0.5000 0.2887 0.4943 ( 8296 PWs) bands (ev): -20.0776 -20.0775 -20.0533 -20.0532 -20.0249 -20.0248 -19.2209 -19.2206 -19.2079 -19.2077 -19.1978 -19.1977 -6.6705 -6.6704 -6.4780 -6.4779 -6.1467 -6.1465 -5.0461 -5.0436 -4.9222 -4.9203 -4.7515 -4.7471 -4.5756 -4.5735 -4.4898 -4.4892 -4.3339 -4.3328 -4.3024 -4.3017 -4.0759 -4.0720 -4.0556 -4.0507 -3.3569 -3.3538 -3.2604 -3.2587 -3.2116 -3.2094 -3.1896 -3.1858 -3.1278 -3.1276 -3.0237 -3.0226 0.2491 0.2494 0.6048 0.6052 0.9727 0.9730 3.9709 3.9728 4.0891 4.0916 k = 0.5000 0.2887 0.4728 ( 8300 PWs) bands (ev): -20.0774 -20.0773 -20.0539 -20.0538 -20.0246 -20.0246 -19.2218 -19.2215 -19.2082 -19.2080 -19.1965 -19.1964 -6.6746 -6.6745 -6.4764 -6.4763 -6.1406 -6.1403 -5.0528 -5.0502 -4.9128 -4.9110 -4.7568 -4.7519 -4.5659 -4.5637 -4.4875 -4.4869 -4.3375 -4.3362 -4.3041 -4.3032 -4.0778 -4.0737 -4.0579 -4.0525 -3.3659 -3.3629 -3.2572 -3.2559 -3.2095 -3.2071 -3.1905 -3.1859 -3.1269 -3.1266 -3.0219 -3.0207 0.2490 0.2495 0.5990 0.5994 0.9691 0.9695 3.9784 3.9805 4.0980 4.1008 k = 0.5000 0.2887 0.4513 ( 8306 PWs) bands (ev): -20.0772 -20.0771 -20.0545 -20.0545 -20.0244 -20.0243 -19.2227 -19.2224 -19.2085 -19.2083 -19.1951 -19.1950 -6.6792 -6.6791 -6.4747 -6.4745 -6.1338 -6.1336 -5.0590 -5.0565 -4.9039 -4.9021 -4.7616 -4.7561 -4.5557 -4.5535 -4.4850 -4.4844 -4.3416 -4.3401 -4.3059 -4.3049 -4.0799 -4.0756 -4.0604 -4.0545 -3.3748 -3.3719 -3.2551 -3.2540 -3.2073 -3.2046 -3.1914 -3.1859 -3.1258 -3.1254 -3.0198 -3.0185 0.2491 0.2496 0.5923 0.5929 0.9651 0.9655 3.9869 3.9893 4.1082 4.1113 k = 0.5000 0.2887 0.4298 ( 8302 PWs) bands (ev): -20.0770 -20.0769 -20.0552 -20.0551 -20.0242 -20.0241 -19.2236 -19.2233 -19.2089 -19.2087 -19.1938 -19.1936 -6.6840 -6.6839 -6.4727 -6.4726 -6.1266 -6.1263 -5.0647 -5.0622 -4.8958 -4.8939 -4.7654 -4.7594 -4.5451 -4.5429 -4.4825 -4.4817 -4.3461 -4.3445 -4.3078 -4.3067 -4.0820 -4.0777 -4.0630 -4.0568 -3.3836 -3.3809 -3.2543 -3.2528 -3.2050 -3.2019 -3.1922 -3.1858 -3.1244 -3.1239 -3.0174 -3.0161 0.2492 0.2497 0.5850 0.5856 0.9607 0.9611 3.9963 3.9989 4.1196 4.1231 k = 0.5000 0.2887 0.4083 ( 8292 PWs) bands (ev): -20.0767 -20.0766 -20.0559 -20.0559 -20.0239 -20.0238 -19.2245 -19.2241 -19.2093 -19.2090 -19.1924 -19.1922 -6.6891 -6.6890 -6.4707 -6.4705 -6.1190 -6.1187 -5.0698 -5.0674 -4.8889 -4.8868 -4.7680 -4.7614 -4.5345 -4.5322 -4.4800 -4.4789 -4.3509 -4.3493 -4.3098 -4.3085 -4.0843 -4.0801 -4.0659 -4.0593 -3.3923 -3.3897 -3.2544 -3.2524 -3.2028 -3.1994 -3.1928 -3.1855 -3.1229 -3.1222 -3.0148 -3.0135 0.2494 0.2500 0.5770 0.5777 0.9560 0.9565 4.0067 4.0094 4.1322 4.1360 k = 0.5000 0.2887 0.3868 ( 8296 PWs) bands (ev): -20.0765 -20.0764 -20.0567 -20.0566 -20.0237 -20.0236 -19.2253 -19.2249 -19.2097 -19.2094 -19.1910 -19.1909 -6.6944 -6.6942 -6.4685 -6.4683 -6.1110 -6.1107 -5.0743 -5.0719 -4.8835 -4.8812 -4.7689 -4.7619 -4.5239 -4.5213 -4.4777 -4.4760 -4.3561 -4.3545 -4.3117 -4.3103 -4.0867 -4.0826 -4.0688 -4.0620 -3.4008 -3.3983 -3.2553 -3.2528 -3.2008 -3.1970 -3.1932 -3.1852 -3.1211 -3.1203 -3.0120 -3.0106 0.2497 0.2503 0.5685 0.5692 0.9511 0.9516 4.0178 4.0207 4.1459 4.1499 k = 0.5000 0.2887 0.3653 ( 8318 PWs) bands (ev): -20.0762 -20.0761 -20.0575 -20.0574 -20.0234 -20.0233 -19.2260 -19.2257 -19.2101 -19.2098 -19.1896 -19.1895 -6.6997 -6.6996 -6.4662 -6.4660 -6.1029 -6.1026 -5.0782 -5.0759 -4.8799 -4.8774 -4.7679 -4.7606 -4.5135 -4.5104 -4.4755 -4.4731 -4.3614 -4.3599 -4.3134 -4.3119 -4.0893 -4.0854 -4.0718 -4.0647 -3.4091 -3.4067 -3.2569 -3.2538 -3.1990 -3.1953 -3.1930 -3.1849 -3.1192 -3.1182 -3.0090 -3.0076 0.2501 0.2508 0.5594 0.5602 0.9460 0.9465 4.0295 4.0326 4.1607 4.1649 k = 0.5000 0.2887 0.3438 ( 8322 PWs) bands (ev): -20.0759 -20.0758 -20.0583 -20.0582 -20.0232 -20.0231 -19.2268 -19.2264 -19.2106 -19.2103 -19.1883 -19.1882 -6.7051 -6.7049 -6.4638 -6.4636 -6.0947 -6.0944 -5.0814 -5.0791 -4.8782 -4.8756 -4.7648 -4.7574 -4.5037 -4.4996 -4.4736 -4.4702 -4.3667 -4.3654 -4.3151 -4.3134 -4.0921 -4.0884 -4.0749 -4.0675 -3.4171 -3.4148 -3.2589 -3.2554 -3.1975 -3.1947 -3.1918 -3.1846 -3.1171 -3.1159 -3.0058 -3.0045 0.2507 0.2514 0.5499 0.5507 0.9408 0.9413 4.0419 4.0450 4.1764 4.1808 k = 0.5000 0.2887 0.3223 ( 8310 PWs) bands (ev): -20.0756 -20.0754 -20.0591 -20.0590 -20.0230 -20.0229 -19.2274 -19.2271 -19.2110 -19.2107 -19.1870 -19.1869 -6.7104 -6.7102 -6.4613 -6.4612 -6.0866 -6.0862 -5.0839 -5.0817 -4.8782 -4.8756 -4.7598 -4.7524 -4.4947 -4.4889 -4.4721 -4.4674 -4.3717 -4.3708 -4.3166 -4.3147 -4.0952 -4.0915 -4.0779 -4.0702 -3.4247 -3.4226 -3.2613 -3.2575 -3.1961 -3.1946 -3.1903 -3.1845 -3.1149 -3.1135 -3.0025 -3.0013 0.2514 0.2522 0.5402 0.5410 0.9355 0.9361 4.0547 4.0579 4.1931 4.1976 k = 0.5000 0.2887 0.3008 ( 8310 PWs) bands (ev): -20.0752 -20.0751 -20.0599 -20.0598 -20.0228 -20.0227 -19.2280 -19.2277 -19.2115 -19.2112 -19.1857 -19.1856 -6.7155 -6.7154 -6.4588 -6.4587 -6.0785 -6.0782 -5.0857 -5.0835 -4.8798 -4.8772 -4.7533 -4.7461 -4.4872 -4.4788 -4.4709 -4.4645 -4.3760 -4.3757 -4.3179 -4.3158 -4.0985 -4.0948 -4.0809 -4.0730 -3.4321 -3.4301 -3.2640 -3.2600 -3.1948 -3.1946 -3.1889 -3.1845 -3.1127 -3.1111 -2.9992 -2.9980 0.2523 0.2531 0.5301 0.5310 0.9303 0.9309 4.0679 4.0711 4.2104 4.2151 k = 0.5000 0.2887 0.2794 ( 8302 PWs) bands (ev): -20.0749 -20.0747 -20.0606 -20.0605 -20.0227 -20.0225 -19.2285 -19.2282 -19.2120 -19.2116 -19.1846 -19.1845 -6.7206 -6.7205 -6.4564 -6.4562 -6.0707 -6.0703 -5.0867 -5.0847 -4.8826 -4.8802 -4.7455 -4.7386 -4.4818 -4.4713 -4.4683 -4.4612 -4.3801 -4.3790 -4.3192 -4.3168 -4.1019 -4.0981 -4.0839 -4.0756 -3.4391 -3.4372 -3.2668 -3.2627 -3.1946 -3.1936 -3.1877 -3.1846 -3.1104 -3.1087 -2.9958 -2.9946 0.2534 0.2543 0.5200 0.5209 0.9252 0.9258 4.0812 4.0844 4.2284 4.2332 k = 0.5000 0.2887 0.2579 ( 8298 PWs) bands (ev): -20.0745 -20.0744 -20.0614 -20.0613 -20.0225 -20.0224 -19.2290 -19.2287 -19.2124 -19.2121 -19.1834 -19.1833 -6.7254 -6.7253 -6.4539 -6.4538 -6.0632 -6.0628 -5.0871 -5.0852 -4.8864 -4.8841 -4.7369 -4.7305 -4.4791 -4.4711 -4.4603 -4.4568 -4.3832 -4.3806 -4.3203 -4.3176 -4.1055 -4.1014 -4.0869 -4.0783 -3.4456 -3.4440 -3.2698 -3.2657 -3.1947 -3.1926 -3.1866 -3.1849 -3.1081 -3.1063 -2.9924 -2.9913 0.2547 0.2556 0.5097 0.5107 0.9202 0.9207 4.0947 4.0978 4.2469 4.2517 k = 0.5000 0.2887 0.2364 ( 8304 PWs) bands (ev): -20.0741 -20.0740 -20.0622 -20.0621 -20.0224 -20.0223 -19.2294 -19.2291 -19.2129 -19.2126 -19.1824 -19.1823 -6.7300 -6.7299 -6.4515 -6.4514 -6.0560 -6.0557 -5.0868 -5.0850 -4.8908 -4.8886 -4.7280 -4.7220 -4.4790 -4.4723 -4.4543 -4.4508 -4.3848 -4.3804 -4.3214 -4.3183 -4.1091 -4.1046 -4.0898 -4.0810 -3.4518 -3.4503 -3.2727 -3.2687 -3.1947 -3.1917 -3.1858 -3.1853 -3.1059 -3.1041 -2.9890 -2.9881 0.2562 0.2571 0.4996 0.5005 0.9154 0.9159 4.1080 4.1110 4.2657 4.2705 k = 0.5000 0.2887 0.2149 ( 8308 PWs) bands (ev): -20.0737 -20.0736 -20.0629 -20.0628 -20.0222 -20.0221 -19.2298 -19.2295 -19.2133 -19.2130 -19.1814 -19.1813 -6.7343 -6.7342 -6.4492 -6.4491 -6.0493 -6.0489 -5.0859 -5.0841 -4.8956 -4.8936 -4.7189 -4.7133 -4.4807 -4.4747 -4.4499 -4.4445 -4.3846 -4.3784 -4.3225 -4.3189 -4.1125 -4.1077 -4.0928 -4.0838 -3.4575 -3.4561 -3.2757 -3.2718 -3.1948 -3.1910 -3.1857 -3.1850 -3.1039 -3.1020 -2.9858 -2.9850 0.2579 0.2588 0.4896 0.4906 0.9108 0.9113 4.1210 4.1240 4.2847 4.2893 k = 0.5000 0.2887 0.1934 ( 8316 PWs) bands (ev): -20.0733 -20.0732 -20.0637 -20.0635 -20.0221 -20.0220 -19.2301 -19.2298 -19.2138 -19.2135 -19.1804 -19.1804 -6.7383 -6.7382 -6.4470 -6.4469 -6.0430 -6.0427 -5.0844 -5.0828 -4.9008 -4.8989 -4.7099 -4.7049 -4.4836 -4.4782 -4.4461 -4.4394 -4.3827 -4.3748 -4.3237 -4.3195 -4.1158 -4.1106 -4.0958 -4.0866 -3.4628 -3.4615 -3.2785 -3.2748 -3.1950 -3.1905 -3.1860 -3.1843 -3.1019 -3.1001 -2.9828 -2.9820 0.2598 0.2606 0.4800 0.4809 0.9065 0.9070 4.1337 4.1364 4.3035 4.3081 k = 0.5000 0.2887 0.1719 ( 8314 PWs) bands (ev): -20.0729 -20.0728 -20.0644 -20.0642 -20.0220 -20.0220 -19.2304 -19.2301 -19.2142 -19.2139 -19.1796 -19.1796 -6.7419 -6.7419 -6.4450 -6.4449 -6.0373 -6.0371 -5.0824 -5.0809 -4.9060 -4.9043 -4.7013 -4.6967 -4.4873 -4.4825 -4.4428 -4.4355 -4.3792 -4.3701 -4.3248 -4.3202 -4.1188 -4.1132 -4.0989 -4.0895 -3.4675 -3.4664 -3.2811 -3.2776 -3.1951 -3.1905 -3.1859 -3.1837 -3.1001 -3.0984 -2.9799 -2.9792 0.2618 0.2626 0.4708 0.4716 0.9026 0.9031 4.1457 4.1483 4.3220 4.3264 k = 0.5000 0.2887 0.1504 ( 8324 PWs) bands (ev): -20.0725 -20.0724 -20.0650 -20.0649 -20.0220 -20.0219 -19.2306 -19.2303 -19.2145 -19.2143 -19.1789 -19.1788 -6.7452 -6.7451 -6.4431 -6.4430 -6.0322 -6.0320 -5.0800 -5.0787 -4.9112 -4.9097 -4.6931 -4.6891 -4.4915 -4.4873 -4.4398 -4.4326 -4.3748 -4.3649 -4.3261 -4.3208 -4.1214 -4.1153 -4.1019 -4.0924 -3.4718 -3.4708 -3.2835 -3.2803 -3.1953 -3.1909 -3.1856 -3.1833 -3.0985 -3.0969 -2.9773 -2.9767 0.2638 0.2646 0.4621 0.4629 0.8990 0.8994 4.1569 4.1593 4.3398 4.3440 k = 0.5000 0.2887 0.1289 ( 8340 PWs) bands (ev): -20.0721 -20.0720 -20.0657 -20.0655 -20.0219 -20.0218 -19.2308 -19.2305 -19.2149 -19.2146 -19.1782 -19.1782 -6.7481 -6.7480 -6.4414 -6.4413 -6.0277 -6.0275 -5.0774 -5.0762 -4.9162 -4.9149 -4.6856 -4.6821 -4.4957 -4.4922 -4.4370 -4.4304 -4.3698 -4.3595 -4.3275 -4.3215 -4.1235 -4.1171 -4.1048 -4.0954 -3.4755 -3.4746 -3.2857 -3.2828 -3.1955 -3.1915 -3.1850 -3.1829 -3.0970 -3.0956 -2.9749 -2.9744 0.2659 0.2666 0.4541 0.4549 0.8959 0.8962 4.1672 4.1693 4.3567 4.3605 k = 0.5000 0.2887 0.1074 ( 8326 PWs) bands (ev): -20.0717 -20.0716 -20.0663 -20.0661 -20.0219 -20.0218 -19.2309 -19.2307 -19.2152 -19.2150 -19.1777 -19.1776 -6.7505 -6.7505 -6.4400 -6.4399 -6.0239 -6.0237 -5.0747 -5.0737 -4.9209 -4.9197 -4.6789 -4.6759 -4.4997 -4.4968 -4.4346 -4.4288 -4.3647 -4.3545 -4.3288 -4.3223 -4.1251 -4.1186 -4.1074 -4.0984 -3.4786 -3.4779 -3.2875 -3.2851 -3.1957 -3.1923 -3.1844 -3.1825 -3.0958 -3.0945 -2.9728 -2.9724 0.2680 0.2686 0.4470 0.4477 0.8932 0.8935 4.1763 4.1781 4.3721 4.3755 k = 0.5000 0.2887 0.0860 ( 8334 PWs) bands (ev): -20.0713 -20.0712 -20.0668 -20.0667 -20.0218 -20.0218 -19.2310 -19.2308 -19.2154 -19.2152 -19.1772 -19.1772 -6.7526 -6.7525 -6.4387 -6.4387 -6.0207 -6.0206 -5.0721 -5.0712 -4.9251 -4.9241 -4.6731 -4.6708 -4.5033 -4.5010 -4.4324 -4.4277 -4.3600 -4.3501 -4.3300 -4.3231 -4.1261 -4.1197 -4.1097 -4.1013 -3.4812 -3.4807 -3.2890 -3.2870 -3.1958 -3.1930 -3.1839 -3.1823 -3.0947 -3.0936 -2.9711 -2.9708 0.2699 0.2704 0.4409 0.4415 0.8909 0.8912 4.1841 4.1856 4.3858 4.3887 k = 0.5000 0.2887 0.0645 ( 8338 PWs) bands (ev): -20.0709 -20.0708 -20.0674 -20.0672 -20.0218 -20.0217 -19.2310 -19.2309 -19.2156 -19.2155 -19.1768 -19.1768 -6.7542 -6.7541 -6.4377 -6.4377 -6.0182 -6.0181 -5.0697 -5.0691 -4.9286 -4.9278 -4.6684 -4.6666 -4.5063 -4.5046 -4.4305 -4.4269 -4.3557 -4.3468 -4.3307 -4.3241 -4.1266 -4.1209 -4.1113 -4.1040 -3.4832 -3.4828 -3.2901 -3.2886 -3.1958 -3.1937 -3.1834 -3.1822 -3.0938 -3.0930 -2.9697 -2.9695 0.2715 0.2719 0.4360 0.4365 0.8892 0.8893 4.1904 4.1915 4.3972 4.3995 k = 0.5000 0.2887 0.0430 ( 8346 PWs) bands (ev): -20.0705 -20.0704 -20.0678 -20.0677 -20.0218 -20.0217 -19.2311 -19.2310 -19.2157 -19.2156 -19.1766 -19.1766 -6.7553 -6.7553 -6.4370 -6.4370 -6.0165 -6.0164 -5.0678 -5.0674 -4.9312 -4.9307 -4.6649 -4.6637 -4.5085 -4.5073 -4.4289 -4.4265 -4.3520 -4.3451 -4.3306 -4.3252 -4.1265 -4.1221 -4.1120 -4.1066 -3.4847 -3.4844 -3.2908 -3.2898 -3.1957 -3.1943 -3.1830 -3.1821 -3.0931 -3.0926 -2.9687 -2.9685 0.2728 0.2731 0.4324 0.4327 0.8879 0.8880 4.1950 4.1958 4.4059 4.4075 k = 0.5000 0.2887 0.0215 ( 8338 PWs) bands (ev): -20.0702 -20.0702 -20.0681 -20.0681 -20.0217 -20.0217 -19.2311 -19.2310 -19.2158 -19.2157 -19.1764 -19.1764 -6.7560 -6.7560 -6.4366 -6.4366 -6.0154 -6.0153 -5.0666 -5.0663 -4.9328 -4.9325 -4.6626 -4.6620 -4.5097 -4.5091 -4.4277 -4.4265 -4.3490 -4.3452 -4.3296 -4.3266 -4.1259 -4.1235 -4.1117 -4.1088 -3.4855 -3.4854 -3.2912 -3.2906 -3.1955 -3.1948 -3.1826 -3.1822 -3.0927 -3.0924 -2.9681 -2.9680 0.2737 0.2738 0.4302 0.4304 0.8871 0.8872 4.1979 4.1983 4.4115 4.4123 k = 0.5000 0.2887-0.0000 ( 8346 PWs) bands (ev): -20.0701 -20.0701 -20.0683 -20.0683 -20.0217 -20.0217 -19.2311 -19.2311 -19.2158 -19.2158 -19.1764 -19.1764 -6.7562 -6.7562 -6.4365 -6.4365 -6.0150 -6.0150 -5.0660 -5.0660 -4.9332 -4.9332 -4.6616 -4.6616 -4.5099 -4.5099 -4.4269 -4.4269 -4.3466 -4.3466 -4.3281 -4.3281 -4.1248 -4.1248 -4.1105 -4.1105 -3.4857 -3.4857 -3.2911 -3.2911 -3.1953 -3.1953 -3.1823 -3.1823 -3.0924 -3.0924 -2.9678 -2.9678 0.2740 0.2740 0.4295 0.4295 0.8869 0.8869 4.1990 4.1990 4.4136 4.4136 k = 0.3333 0.5774-0.0000 ( 8340 PWs) bands (ev): -20.0543 -20.0541 -20.0538 -20.0538 -20.0527 -20.0527 -19.2248 -19.2248 -19.2243 -19.2241 -19.1737 -19.1737 -6.7873 -6.7873 -6.2261 -6.2259 -6.2259 -6.2252 -4.9609 -4.9605 -4.9605 -4.9583 -4.5791 -4.5791 -4.5455 -4.5391 -4.5367 -4.5367 -4.3588 -4.3588 -4.2465 -4.2460 -4.2460 -4.2397 -4.1074 -4.1074 -3.4681 -3.4681 -3.2498 -3.2493 -3.2423 -3.2423 -3.1139 -3.1139 -3.1076 -3.1070 -2.9784 -2.9784 0.4785 0.4785 0.4814 0.4839 0.6253 0.6253 4.2092 4.2092 4.4501 4.4504 k = 0.3333 0.5774 0.0215 ( 8331 PWs) bands (ev): -20.0553 -20.0549 -20.0531 -20.0528 -20.0527 -20.0526 -19.2252 -19.2246 -19.2244 -19.2237 -19.1737 -19.1737 -6.7870 -6.7869 -6.2267 -6.2267 -6.2257 -6.2253 -4.9695 -4.9688 -4.9515 -4.9504 -4.5806 -4.5803 -4.5464 -4.5393 -4.5377 -4.5335 -4.3587 -4.3577 -4.2519 -4.2500 -4.2397 -4.2358 -4.1078 -4.1070 -3.4677 -3.4677 -3.2519 -3.2473 -3.2447 -3.2400 -3.1156 -3.1123 -3.1090 -3.1058 -2.9787 -2.9786 0.4661 0.4701 0.4913 0.4956 0.6256 0.6258 4.2082 4.2084 4.4357 4.4378 k = 0.3333 0.5774 0.0430 ( 8331 PWs) bands (ev): -20.0564 -20.0560 -20.0526 -20.0526 -20.0520 -20.0516 -19.2255 -19.2249 -19.2239 -19.2233 -19.1739 -19.1739 -6.7859 -6.7858 -6.2281 -6.2281 -6.2262 -6.2258 -4.9785 -4.9778 -4.9428 -4.9416 -4.5846 -4.5841 -4.5479 -4.5414 -4.5347 -4.5299 -4.3575 -4.3555 -4.2574 -4.2553 -4.2331 -4.2294 -4.1081 -4.1065 -3.4666 -3.4666 -3.2543 -3.2471 -3.2450 -3.2378 -3.1174 -3.1108 -3.1107 -3.1044 -2.9794 -2.9791 0.4540 0.4580 0.5043 0.5087 0.6269 0.6273 4.2054 4.2057 4.4192 4.4216 k = 0.3333 0.5774 0.0645 ( 8322 PWs) bands (ev): -20.0575 -20.0571 -20.0525 -20.0525 -20.0510 -20.0505 -19.2258 -19.2252 -19.2234 -19.2228 -19.1742 -19.1742 -6.7840 -6.7840 -6.2301 -6.2300 -6.2274 -6.2271 -4.9872 -4.9867 -4.9343 -4.9331 -4.5910 -4.5903 -4.5493 -4.5430 -4.5308 -4.5259 -4.3553 -4.3523 -4.2625 -4.2603 -4.2262 -4.2225 -4.1083 -4.1059 -3.4649 -3.4648 -3.2567 -3.2495 -3.2429 -3.2358 -3.1193 -3.1127 -3.1095 -3.1032 -2.9806 -2.9801 0.4423 0.4462 0.5176 0.5220 0.6290 0.6296 4.2009 4.2014 4.4008 4.4035 k = 0.3333 0.5774 0.0860 ( 8319 PWs) bands (ev): -20.0586 -20.0582 -20.0523 -20.0523 -20.0499 -20.0495 -19.2260 -19.2254 -19.2229 -19.2223 -19.1746 -19.1745 -6.7815 -6.7815 -6.2325 -6.2325 -6.2295 -6.2291 -4.9957 -4.9953 -4.9263 -4.9250 -4.5994 -4.5986 -4.5503 -4.5440 -4.5264 -4.5214 -4.3525 -4.3486 -4.2670 -4.2649 -4.2191 -4.2153 -4.1083 -4.1052 -3.4625 -3.4624 -3.2590 -3.2519 -3.2410 -3.2338 -3.1215 -3.1147 -3.1082 -3.1021 -2.9822 -2.9815 0.4309 0.4347 0.5312 0.5356 0.6321 0.6329 4.1948 4.1954 4.3808 4.3837 k = 0.3333 0.5774 0.1074 ( 8331 PWs) bands (ev): -20.0597 -20.0593 -20.0521 -20.0521 -20.0489 -20.0485 -19.2262 -19.2256 -19.2223 -19.2217 -19.1750 -19.1750 -6.7782 -6.7782 -6.2354 -6.2354 -6.2324 -6.2320 -5.0038 -5.0034 -4.9188 -4.9174 -4.6097 -4.6087 -4.5508 -4.5446 -4.5215 -4.5165 -4.3492 -4.3445 -4.2709 -4.2690 -4.2119 -4.2080 -4.1083 -4.1043 -3.4594 -3.4593 -3.2613 -3.2542 -3.2392 -3.2321 -3.1237 -3.1170 -3.1071 -3.1011 -2.9841 -2.9833 0.4200 0.4237 0.5449 0.5494 0.6359 0.6369 4.1872 4.1880 4.3596 4.3626 k = 0.3333 0.5774 0.1289 ( 8331 PWs) bands (ev): -20.0608 -20.0604 -20.0518 -20.0518 -20.0479 -20.0475 -19.2263 -19.2257 -19.2218 -19.2212 -19.1756 -19.1756 -6.7743 -6.7742 -6.2387 -6.2386 -6.2362 -6.2358 -5.0114 -5.0111 -4.9118 -4.9104 -4.6214 -4.6204 -4.5509 -4.5447 -4.5162 -4.5112 -4.3458 -4.3403 -4.2743 -4.2725 -4.2045 -4.2005 -4.1080 -4.1034 -3.4556 -3.4555 -3.2634 -3.2565 -3.2375 -3.2305 -3.1261 -3.1194 -3.1060 -3.1002 -2.9865 -2.9855 0.4094 0.4130 0.5587 0.5633 0.6406 0.6418 4.1784 4.1792 4.3374 4.3405 k = 0.3333 0.5774 0.1504 ( 8322 PWs) bands (ev): -20.0619 -20.0615 -20.0515 -20.0515 -20.0470 -20.0466 -19.2263 -19.2257 -19.2212 -19.2206 -19.1763 -19.1763 -6.7696 -6.7695 -6.2422 -6.2422 -6.2408 -6.2403 -5.0184 -5.0182 -4.9056 -4.9041 -4.6343 -4.6333 -4.5505 -4.5443 -4.5106 -4.5057 -4.3426 -4.3364 -4.2769 -4.2753 -4.1971 -4.1929 -4.1076 -4.1022 -3.4512 -3.4511 -3.2655 -3.2585 -3.2360 -3.2292 -3.1287 -3.1220 -3.1051 -3.0995 -2.9892 -2.9881 0.3993 0.4028 0.5727 0.5773 0.6460 0.6474 4.1684 4.1693 4.3145 4.3177 k = 0.3333 0.5774 0.1719 ( 8319 PWs) bands (ev): -20.0629 -20.0626 -20.0511 -20.0511 -20.0460 -20.0457 -19.2263 -19.2257 -19.2206 -19.2200 -19.1771 -19.1771 -6.7642 -6.7641 -6.2464 -6.2463 -6.2460 -6.2455 -5.0248 -5.0246 -4.9000 -4.8985 -4.6483 -4.6473 -4.5496 -4.5434 -4.5047 -4.4999 -4.3397 -4.3330 -4.2789 -4.2774 -4.1897 -4.1854 -4.1069 -4.1009 -3.4463 -3.4461 -3.2673 -3.2605 -3.2348 -3.2280 -3.1315 -3.1248 -3.1043 -3.0989 -2.9923 -2.9910 0.3896 0.3930 0.5867 0.5914 0.6520 0.6536 4.1575 4.1584 4.2912 4.2944 k = 0.3333 0.5774 0.1934 ( 8316 PWs) bands (ev): -20.0640 -20.0636 -20.0507 -20.0507 -20.0452 -20.0448 -19.2262 -19.2256 -19.2199 -19.2194 -19.1780 -19.1780 -6.7581 -6.7580 -6.2528 -6.2525 -6.2500 -6.2498 -5.0304 -5.0303 -4.8952 -4.8936 -4.6630 -4.6620 -4.5482 -4.5419 -4.4986 -4.4940 -4.3374 -4.3302 -4.2802 -4.2789 -4.1823 -4.1778 -4.1060 -4.0994 -3.4407 -3.4405 -3.2689 -3.2622 -3.2338 -3.2271 -3.1344 -3.1277 -3.1035 -3.0983 -2.9956 -2.9943 0.3803 0.3836 0.6007 0.6054 0.6587 0.6605 4.1458 4.1468 4.2677 4.2710 k = 0.3333 0.5774 0.2149 ( 8316 PWs) bands (ev): -20.0650 -20.0646 -20.0503 -20.0503 -20.0443 -20.0440 -19.2260 -19.2254 -19.2193 -19.2188 -19.1790 -19.1790 -6.7514 -6.7512 -6.2601 -6.2598 -6.2541 -6.2540 -5.0352 -5.0351 -4.8911 -4.8895 -4.6783 -4.6774 -4.5463 -4.5400 -4.4925 -4.4880 -4.3359 -4.3281 -4.2808 -4.2796 -4.1749 -4.1703 -4.1048 -4.0977 -3.4347 -3.4345 -3.2703 -3.2636 -3.2330 -3.2265 -3.1375 -3.1309 -3.1028 -3.0979 -2.9993 -2.9979 0.3715 0.3747 0.6146 0.6193 0.6659 0.6679 4.1335 4.1345 4.2443 4.2475 k = 0.3333 0.5774 0.2364 ( 8307 PWs) bands (ev): -20.0659 -20.0656 -20.0498 -20.0498 -20.0436 -20.0432 -19.2257 -19.2251 -19.2187 -19.2182 -19.1801 -19.1801 -6.7439 -6.7438 -6.2684 -6.2680 -6.2583 -6.2583 -5.0391 -5.0391 -4.8877 -4.8861 -4.6940 -4.6932 -4.5439 -4.5376 -4.4862 -4.4820 -4.3350 -4.3270 -4.2807 -4.2796 -4.1677 -4.1629 -4.1033 -4.0958 -3.4282 -3.4279 -3.2715 -3.2648 -3.2324 -3.2262 -3.1408 -3.1342 -3.1023 -3.0976 -3.0033 -3.0017 0.3631 0.3662 0.6284 0.6332 0.6736 0.6758 4.1208 4.1218 4.2211 4.2243 k = 0.3333 0.5774 0.2579 ( 8295 PWs) bands (ev): -20.0669 -20.0665 -20.0493 -20.0493 -20.0429 -20.0425 -19.2254 -19.2248 -19.2181 -19.2176 -19.1813 -19.1812 -6.7358 -6.7357 -6.2775 -6.2771 -6.2626 -6.2625 -5.0422 -5.0422 -4.8850 -4.8835 -4.7101 -4.7094 -4.5411 -4.5347 -4.4801 -4.4762 -4.3351 -4.3267 -4.2799 -4.2790 -4.1605 -4.1556 -4.1016 -4.0937 -3.4212 -3.4209 -3.2723 -3.2657 -3.2321 -3.2261 -3.1443 -3.1377 -3.1017 -3.0974 -3.0075 -3.0058 0.3552 0.3581 0.6420 0.6468 0.6816 0.6840 4.1079 4.1089 4.1983 4.2015 k = 0.3333 0.5774 0.2794 ( 8289 PWs) bands (ev): -20.0678 -20.0674 -20.0488 -20.0487 -20.0422 -20.0419 -19.2249 -19.2244 -19.2175 -19.2170 -19.1825 -19.1824 -6.7271 -6.7270 -6.2874 -6.2870 -6.2668 -6.2668 -5.0444 -5.0443 -4.8830 -4.8815 -4.7264 -4.7257 -4.5378 -4.5313 -4.4741 -4.4704 -4.3359 -4.3274 -4.2784 -4.2777 -4.1536 -4.1484 -4.0997 -4.0915 -3.4139 -3.4136 -3.2728 -3.2663 -3.2321 -3.2263 -3.1480 -3.1415 -3.1013 -3.0972 -3.0119 -3.0101 0.3477 0.3505 0.6554 0.6602 0.6899 0.6924 4.0949 4.0959 4.1761 4.1792 k = 0.3333 0.5774 0.3008 ( 8301 PWs) bands (ev): -20.0686 -20.0683 -20.0482 -20.0482 -20.0416 -20.0413 -19.2244 -19.2239 -19.2169 -19.2165 -19.1838 -19.1837 -6.7177 -6.7176 -6.2982 -6.2978 -6.2710 -6.2710 -5.0457 -5.0456 -4.8816 -4.8801 -4.7428 -4.7422 -4.5340 -4.5275 -4.4683 -4.4650 -4.3377 -4.3290 -4.2764 -4.2757 -4.1468 -4.1415 -4.0977 -4.0892 -3.4062 -3.4058 -3.2730 -3.2665 -3.2324 -3.2268 -3.1518 -3.1454 -3.1008 -3.0971 -3.0164 -3.0146 0.3407 0.3433 0.6684 0.6732 0.6983 0.7011 4.0820 4.0829 4.1546 4.1576 k = 0.3333 0.5774 0.3223 ( 8313 PWs) bands (ev): -20.0694 -20.0691 -20.0476 -20.0476 -20.0410 -20.0407 -19.2238 -19.2233 -19.2164 -19.2159 -19.1852 -19.1851 -6.7078 -6.7076 -6.3097 -6.3093 -6.2751 -6.2751 -5.0461 -5.0459 -4.8807 -4.8793 -4.7593 -4.7588 -4.5297 -4.5232 -4.4628 -4.4598 -4.3402 -4.3315 -4.2738 -4.2733 -4.1403 -4.1348 -4.0955 -4.0869 -3.3982 -3.3978 -3.2728 -3.2663 -3.2330 -3.2277 -3.1559 -3.1495 -3.1004 -3.0970 -3.0211 -3.0192 0.3341 0.3366 0.6810 0.6859 0.7069 0.7098 4.0693 4.0701 4.1339 4.1368 k = 0.3333 0.5774 0.3438 ( 8313 PWs) bands (ev): -20.0702 -20.0699 -20.0470 -20.0470 -20.0405 -20.0403 -19.2232 -19.2227 -19.2158 -19.2154 -19.1866 -19.1865 -6.6972 -6.6970 -6.3219 -6.3215 -6.2791 -6.2791 -5.0455 -5.0453 -4.8803 -4.8789 -4.7757 -4.7753 -4.5250 -4.5184 -4.4577 -4.4550 -4.3436 -4.3348 -4.2708 -4.2704 -4.1340 -4.1283 -4.0933 -4.0845 -3.3900 -3.3895 -3.2722 -3.2658 -3.2339 -3.2289 -3.1602 -3.1538 -3.1000 -3.0969 -3.0259 -3.0239 0.3280 0.3304 0.6931 0.6981 0.7154 0.7184 4.0569 4.0576 4.1142 4.1170 k = 0.3333 0.5774 0.3653 ( 8325 PWs) bands (ev): -20.0709 -20.0707 -20.0464 -20.0464 -20.0401 -20.0398 -19.2224 -19.2219 -19.2153 -19.2149 -19.1881 -19.1880 -6.6860 -6.6859 -6.3348 -6.3344 -6.2830 -6.2830 -5.0440 -5.0438 -4.8802 -4.8790 -4.7921 -4.7916 -4.5199 -4.5132 -4.4529 -4.4505 -4.3477 -4.3390 -4.2675 -4.2672 -4.1280 -4.1221 -4.0910 -4.0823 -3.3816 -3.3811 -3.2713 -3.2649 -3.2352 -3.2304 -3.1646 -3.1583 -3.0995 -3.0967 -3.0308 -3.0287 0.3224 0.3245 0.7047 0.7097 0.7237 0.7270 4.0450 4.0456 4.0955 4.0981 k = 0.3333 0.5774 0.3868 ( 8319 PWs) bands (ev): -20.0716 -20.0714 -20.0458 -20.0458 -20.0398 -20.0395 -19.2215 -19.2211 -19.2148 -19.2145 -19.1896 -19.1895 -6.6744 -6.6742 -6.3482 -6.3479 -6.2866 -6.2866 -5.0416 -5.0414 -4.8805 -4.8793 -4.8082 -4.8078 -4.5144 -4.5076 -4.4484 -4.4464 -4.3525 -4.3438 -4.2639 -4.2637 -4.1222 -4.1162 -4.0889 -4.0801 -3.3731 -3.3725 -3.2700 -3.2635 -3.2368 -3.2324 -3.1692 -3.1629 -3.0990 -3.0966 -3.0357 -3.0336 0.3172 0.3192 0.7158 0.7207 0.7319 0.7352 4.0337 4.0342 4.0780 4.0804 k = 0.3333 0.5774 0.4083 ( 8319 PWs) bands (ev): -20.0722 -20.0720 -20.0452 -20.0452 -20.0395 -20.0392 -19.2206 -19.2202 -19.2143 -19.2140 -19.1912 -19.1911 -6.6621 -6.6619 -6.3622 -6.3619 -6.2900 -6.2900 -5.0383 -5.0381 -4.8811 -4.8799 -4.8241 -4.8238 -4.5085 -4.5015 -4.4444 -4.4427 -4.3579 -4.3494 -4.2601 -4.2600 -4.1168 -4.1106 -4.0868 -4.0781 -3.3645 -3.3638 -3.2683 -3.2618 -3.2387 -3.2347 -3.1739 -3.1677 -3.0983 -3.0963 -3.0406 -3.0384 0.3124 0.3143 0.7261 0.7310 0.7397 0.7432 4.0231 4.0234 4.0616 4.0639 k = 0.3333 0.5774 0.4298 ( 8304 PWs) bands (ev): -20.0728 -20.0726 -20.0446 -20.0446 -20.0392 -20.0390 -19.2196 -19.2192 -19.2139 -19.2136 -19.1928 -19.1927 -6.6494 -6.6492 -6.3767 -6.3763 -6.2932 -6.2932 -5.0342 -5.0339 -4.8818 -4.8807 -4.8397 -4.8395 -4.5022 -4.4951 -4.4407 -4.4394 -4.3638 -4.3554 -4.2564 -4.2564 -4.1118 -4.1053 -4.0849 -4.0764 -3.3558 -3.3550 -3.2663 -3.2597 -3.2410 -3.2375 -3.1787 -3.1726 -3.0976 -3.0959 -3.0454 -3.0433 0.3081 0.3098 0.7357 0.7406 0.7471 0.7507 4.0133 4.0135 4.0465 4.0487 k = 0.3333 0.5774 0.4513 ( 8310 PWs) bands (ev): -20.0733 -20.0731 -20.0440 -20.0440 -20.0391 -20.0389 -19.2185 -19.2181 -19.2135 -19.2133 -19.1944 -19.1943 -6.6362 -6.6360 -6.3916 -6.3912 -6.2961 -6.2961 -5.0292 -5.0289 -4.8826 -4.8817 -4.8551 -4.8548 -4.4955 -4.4884 -4.4375 -4.4365 -4.3702 -4.3620 -4.2528 -4.2527 -4.1070 -4.1003 -4.0833 -4.0748 -3.3472 -3.3463 -3.2641 -3.2572 -3.2436 -3.2407 -3.1836 -3.1777 -3.0966 -3.0953 -3.0501 -3.0480 0.3043 0.3058 0.7445 0.7494 0.7539 0.7577 4.0043 4.0044 4.0328 4.0347 k = 0.3333 0.5774 0.4728 ( 8307 PWs) bands (ev): -20.0737 -20.0736 -20.0434 -20.0434 -20.0390 -20.0388 -19.2174 -19.2170 -19.2132 -19.2129 -19.1961 -19.1959 -6.6226 -6.6224 -6.4068 -6.4064 -6.2987 -6.2987 -5.0234 -5.0231 -4.8836 -4.8826 -4.8700 -4.8697 -4.4886 -4.4813 -4.4346 -4.4341 -4.3770 -4.3691 -4.2493 -4.2493 -4.1027 -4.0958 -4.0818 -4.0736 -3.3386 -3.3376 -3.2618 -3.2544 -3.2464 -3.2443 -3.1886 -3.1827 -3.0955 -3.0945 -3.0548 -3.0527 0.3010 0.3023 0.7524 0.7574 0.7602 0.7641 3.9963 3.9964 4.0204 4.0222 k = 0.3333 0.5774 0.4943 ( 8307 PWs) bands (ev): -20.0741 -20.0740 -20.0428 -20.0428 -20.0390 -20.0388 -19.2162 -19.2158 -19.2129 -19.2127 -19.1977 -19.1976 -6.6085 -6.6083 -6.4223 -6.4219 -6.3010 -6.3010 -5.0168 -5.0165 -4.8861 -4.8846 -4.8836 -4.8826 -4.4814 -4.4739 -4.4321 -4.4320 -4.3842 -4.3765 -4.2462 -4.2461 -4.0987 -4.0916 -4.0807 -4.0726 -3.3302 -3.3291 -3.2599 -3.2513 -3.2488 -3.2484 -3.1936 -3.1879 -3.0942 -3.0935 -3.0593 -3.0572 0.2981 0.2992 0.7594 0.7644 0.7657 0.7697 3.9892 3.9896 4.0095 4.0110 k = 0.3333 0.5774 0.5157 ( 8331 PWs) bands (ev): -20.0745 -20.0743 -20.0423 -20.0422 -20.0390 -20.0388 -19.2149 -19.2145 -19.2126 -19.2124 -19.1994 -19.1992 -6.5941 -6.5939 -6.4380 -6.4377 -6.3030 -6.3030 -5.0094 -5.0091 -4.8989 -4.8987 -4.8848 -4.8845 -4.4739 -4.4663 -4.4303 -4.4299 -4.3916 -4.3842 -4.2434 -4.2433 -4.0952 -4.0877 -4.0799 -4.0720 -3.3220 -3.3207 -3.2600 -3.2529 -3.2495 -3.2480 -3.1985 -3.1930 -3.0926 -3.0923 -3.0636 -3.0616 0.2956 0.2966 0.7655 0.7704 0.7705 0.7746 3.9833 3.9838 4.0000 4.0012 k = 0.3333 0.5774 0.5372 ( 8328 PWs) bands (ev): -20.0747 -20.0746 -20.0417 -20.0417 -20.0391 -20.0389 -19.2135 -19.2132 -19.2124 -19.2122 -19.2011 -19.2009 -6.5793 -6.5791 -6.4539 -6.4535 -6.3046 -6.3046 -5.0012 -5.0010 -4.9125 -4.9123 -4.8856 -4.8853 -4.4663 -4.4585 -4.4291 -4.4281 -4.3992 -4.3921 -4.2410 -4.2409 -4.0921 -4.0843 -4.0794 -4.0718 -3.3139 -3.3124 -3.2629 -3.2579 -3.2477 -3.2446 -3.2032 -3.1980 -3.0908 -3.0907 -3.0677 -3.0658 0.2936 0.2944 0.7705 0.7745 0.7755 0.7786 3.9785 3.9793 3.9920 3.9930 k = 0.3333 0.5774 0.5587 ( 8328 PWs) bands (ev): -20.0749 -20.0749 -20.0413 -20.0412 -20.0392 -20.0391 -19.2122 -19.2121 -19.2121 -19.2118 -19.2027 -19.2025 -6.5643 -6.5640 -6.4698 -6.4695 -6.3059 -6.3059 -4.9924 -4.9922 -4.9256 -4.9255 -4.8862 -4.8859 -4.4585 -4.4505 -4.4285 -4.4266 -4.4067 -4.4002 -4.2390 -4.2390 -4.0894 -4.0813 -4.0791 -4.0719 -3.3061 -3.3045 -3.2673 -3.2633 -3.2448 -3.2412 -3.2075 -3.2028 -3.0889 -3.0888 -3.0716 -3.0697 0.2921 0.2927 0.7745 0.7776 0.7795 0.7818 3.9750 3.9761 3.9855 3.9862 k = 0.3333 0.5774 0.5802 ( 8325 PWs) bands (ev): -20.0751 -20.0750 -20.0408 -20.0407 -20.0395 -20.0393 -19.2121 -19.2120 -19.2106 -19.2104 -19.2044 -19.2042 -6.5489 -6.5486 -6.4858 -6.4855 -6.3068 -6.3068 -4.9829 -4.9826 -4.9382 -4.9381 -4.8867 -4.8865 -4.4507 -4.4423 -4.4287 -4.4253 -4.4139 -4.4084 -4.2376 -4.2376 -4.0874 -4.0792 -4.0787 -4.0725 -3.2986 -3.2968 -3.2726 -3.2691 -3.2415 -3.2383 -3.2110 -3.2072 -3.0868 -3.0865 -3.0752 -3.0734 0.2911 0.2914 0.7775 0.7798 0.7825 0.7840 3.9726 3.9742 3.9806 3.9808 k = 0.3333 0.5774 0.6017 ( 8331 PWs) bands (ev): -20.0752 -20.0751 -20.0404 -20.0403 -20.0397 -20.0396 -19.2120 -19.2119 -19.2091 -19.2089 -19.2060 -19.2058 -6.5333 -6.5331 -6.5017 -6.5014 -6.3074 -6.3074 -4.9726 -4.9725 -4.9503 -4.9501 -4.8869 -4.8868 -4.4430 -4.4342 -4.4308 -4.4242 -4.4196 -4.4166 -4.2367 -4.2367 -4.0860 -4.0794 -4.0765 -4.0734 -3.2915 -3.2895 -3.2784 -3.2753 -3.2386 -3.2366 -3.2131 -3.2108 -3.0843 -3.0841 -3.0785 -3.0766 0.2905 0.2906 0.7794 0.7810 0.7844 0.7852 3.9714 3.9737 3.9770 3.9775 k = 0.3333 0.5774 0.6232 ( 8340 PWs) bands (ev): -20.0752 -20.0752 -20.0400 -20.0400 -20.0400 -20.0399 -19.2119 -19.2119 -19.2077 -19.2075 -19.2073 -19.2073 -6.5178 -6.5174 -6.5173 -6.5173 -6.3076 -6.3076 -4.9623 -4.9618 -4.9618 -4.9609 -4.8869 -4.8869 -4.4360 -4.4360 -4.4281 -4.4227 -4.4227 -4.4227 -4.2364 -4.2364 -4.0854 -4.0795 -4.0748 -4.0748 -3.2847 -3.2847 -3.2839 -3.2805 -3.2367 -3.2367 -3.2130 -3.2130 -3.0826 -3.0816 -3.0816 -3.0783 0.2903 0.2903 0.7800 0.7814 0.7853 0.7853 3.9711 3.9746 3.9746 3.9764 Writing output data file SiO2.save init_run : 1.23s CPU 0.80s WALL ( 1 calls) electrons : 518.24s CPU 435.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.03s WALL ( 1 calls) potinit : 0.30s CPU 0.25s WALL ( 1 calls) Called by electrons: c_bands : 518.22s CPU 435.55s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.23s CPU 0.33s WALL ( 244 calls) cegterg : 461.64s CPU 400.01s WALL ( 753 calls) Called by sum_band: Called by *egterg: h_psi : 294.20s CPU 222.80s WALL ( 13229 calls) s_psi : 10.25s CPU 8.45s WALL ( 13229 calls) g_psi : 0.33s CPU 0.31s WALL ( 12232 calls) cdiaghg : 163.03s CPU 157.07s WALL ( 12476 calls) cegterg:over : 14.00s CPU 13.28s WALL ( 12232 calls) cegterg:upda : 11.14s CPU 10.65s WALL ( 12232 calls) cegterg:last : 4.42s CPU 4.56s WALL ( 1485 calls) cdiaghg:chol : 6.73s CPU 6.63s WALL ( 12476 calls) cdiaghg:inve : 3.42s CPU 3.28s WALL ( 12476 calls) cdiaghg:para : 8.38s CPU 8.51s WALL ( 24952 calls) Called by h_psi: h_psi:vloc : 268.09s CPU 200.66s WALL ( 13229 calls) h_psi:vnl : 25.84s CPU 21.83s WALL ( 13229 calls) add_vuspsi : 13.59s CPU 11.19s WALL ( 13229 calls) General routines calbec : 12.20s CPU 10.60s WALL ( 13229 calls) fft : 0.11s CPU 0.06s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 259.92s CPU 193.66s WALL ( 1010664 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.22s CPU 0.74s WALL ( 488 calls) Parallel routines fft_scatter : 144.78s CPU 123.24s WALL ( 1010687 calls) PWSCF : 9m 8.62s CPU 9m32.68s WALL This run was terminated on: 17:23:56 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=